data_25791 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25791 _Entry.PDB_ID 2N73 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 25791 _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 4.377 0.070 25791 2 1 1 . 1 1 2 2 GLN C C 2 176.144 176.144 177.120 -0.976 25791 3 1 1 . 1 1 2 2 GLN CA C 2 56.209 56.209 58.387 -2.178 25791 4 1 1 . 1 1 2 2 GLN CB C 2 29.459 29.459 28.616 0.842 25791 5 1 1 . 1 1 3 3 GLN N N 3 122.052 122.052 118.966 3.086 25791 6 1 1 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.101 0.222 25791 7 1 1 . 1 1 3 3 GLN C C 3 176.988 176.988 178.294 -1.306 25791 8 1 1 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.707 -1.304 25791 9 1 1 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.154 1.085 25791 10 1 1 . 1 1 3 3 GLN H H 3 8.780 8.780 8.733 0.047 25791 11 1 1 . 1 1 4 4 LYS N N 4 121.855 121.855 120.604 1.251 25791 12 1 1 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.129 -0.125 25791 13 1 1 . 1 1 4 4 LYS C C 4 177.638 177.638 178.477 -0.839 25791 14 1 1 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.228 1.011 25791 15 1 1 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.156 0.543 25791 16 1 1 . 1 1 4 4 LYS H H 4 8.528 8.528 7.682 0.846 25791 17 1 1 . 1 1 5 5 GLN N N 5 116.397 116.397 118.925 -2.528 25791 18 1 1 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.830 0.111 25791 19 1 1 . 1 1 5 5 GLN C C 5 178.761 178.761 178.564 0.197 25791 20 1 1 . 1 1 5 5 GLN CA C 5 59.349 59.349 59.195 0.154 25791 21 1 1 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.610 -0.660 25791 22 1 1 . 1 1 5 5 GLN H H 5 8.223 8.223 7.707 0.516 25791 23 1 1 . 1 1 6 6 GLN N N 6 119.262 119.262 118.460 0.802 25791 24 1 1 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.093 0.035 25791 25 1 1 . 1 1 6 6 GLN C C 6 179.018 179.018 178.369 0.649 25791 26 1 1 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.883 0.206 25791 27 1 1 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.165 0.545 25791 28 1 1 . 1 1 6 6 GLN H H 6 7.848 7.848 7.876 -0.028 25791 29 1 1 . 1 1 7 7 ILE N N 7 121.296 121.296 120.917 0.379 25791 30 1 1 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.846 -0.263 25791 31 1 1 . 1 1 7 7 ILE C C 7 177.833 177.833 178.052 -0.219 25791 32 1 1 . 1 1 7 7 ILE CA C 7 65.129 65.129 62.683 2.446 25791 33 1 1 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.087 1.119 25791 34 1 1 . 1 1 7 7 ILE H H 7 8.095 8.095 7.198 0.897 25791 35 1 1 . 1 1 8 8 MET N N 8 117.603 117.603 119.144 -1.541 25791 36 1 1 . 1 1 8 8 MET HA H 8 3.985 3.985 3.966 0.019 25791 37 1 1 . 1 1 8 8 MET C C 8 177.355 177.355 178.852 -1.497 25791 38 1 1 . 1 1 8 8 MET CA C 8 59.932 59.932 59.755 0.177 25791 39 1 1 . 1 1 8 8 MET CB C 8 32.721 32.721 31.966 0.755 25791 40 1 1 . 1 1 8 8 MET H H 8 8.672 8.672 8.303 0.369 25791 41 1 1 . 1 1 9 9 ALA N N 9 118.774 118.774 121.389 -2.615 25791 42 1 1 . 1 1 9 9 ALA HA H 9 4.046 4.046 3.985 0.061 25791 43 1 1 . 1 1 9 9 ALA C C 9 180.546 180.546 179.104 1.442 25791 44 1 1 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.078 0.307 25791 45 1 1 . 1 1 9 9 ALA CB C 9 17.898 17.898 18.052 -0.154 25791 46 1 1 . 1 1 9 9 ALA H H 9 7.795 7.795 8.139 -0.344 25791 47 1 1 . 1 1 10 10 ALA N N 10 120.854 120.854 121.379 -0.525 25791 48 1 1 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.082 0.123 25791 49 1 1 . 1 1 10 10 ALA C C 10 181.200 181.200 179.471 1.729 25791 50 1 1 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.533 0.479 25791 51 1 1 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.532 0.729 25791 52 1 1 . 1 1 10 10 ALA H H 10 7.438 7.438 7.533 -0.095 25791 53 1 1 . 1 1 11 11 LEU N N 11 120.775 120.775 118.842 1.933 25791 54 1 1 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.836 -0.088 25791 55 1 1 . 1 1 11 11 LEU C C 11 179.041 179.041 179.399 -0.358 25791 56 1 1 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.844 0.502 25791 57 1 1 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.288 -1.311 25791 58 1 1 . 1 1 11 11 LEU H H 11 8.757 8.757 8.553 0.204 25791 59 1 1 . 1 1 12 12 ASN N N 12 116.313 116.313 118.263 -1.950 25791 60 1 1 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.490 0.074 25791 61 1 1 . 1 1 12 12 ASN C C 12 178.900 178.900 177.679 1.221 25791 62 1 1 . 1 1 12 12 ASN CA C 12 54.065 54.065 56.077 -2.012 25791 63 1 1 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.701 -1.708 25791 64 1 1 . 1 1 12 12 ASN H H 12 8.850 8.850 8.628 0.222 25791 65 1 1 . 1 1 13 13 SER N N 13 114.747 114.747 116.125 -1.378 25791 66 1 1 . 1 1 13 13 SER HA H 13 4.370 4.370 4.113 0.257 25791 67 1 1 . 1 1 13 13 SER C C 13 176.515 176.515 176.886 -0.371 25791 68 1 1 . 1 1 13 13 SER CA C 13 61.141 61.141 61.276 -0.135 25791 69 1 1 . 1 1 13 13 SER CB C 13 63.044 63.044 63.164 -0.120 25791 70 1 1 . 1 1 13 13 SER H H 13 7.672 7.672 7.883 -0.211 25791 71 1 1 . 1 1 14 14 GLN N N 14 119.954 119.954 118.469 1.485 25791 72 1 1 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.208 0.010 25791 73 1 1 . 1 1 14 14 GLN C C 14 178.208 178.208 177.146 1.062 25791 74 1 1 . 1 1 14 14 GLN CA C 14 57.749 57.749 58.085 -0.336 25791 75 1 1 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.890 -0.190 25791 76 1 1 . 1 1 14 14 GLN H H 14 7.573 7.573 7.716 -0.143 25791 77 1 1 . 1 1 15 15 THR N N 15 107.493 107.493 108.255 -0.762 25791 78 1 1 . 1 1 15 15 THR HA H 15 3.899 3.899 4.522 -0.623 25791 79 1 1 . 1 1 15 15 THR C C 15 174.683 174.683 174.686 -0.003 25791 80 1 1 . 1 1 15 15 THR CA C 15 61.551 61.551 60.727 0.824 25791 81 1 1 . 1 1 15 15 THR CB C 15 69.226 69.226 69.379 -0.153 25791 82 1 1 . 1 1 15 15 THR H H 15 7.741 7.741 7.449 0.292 25791 83 1 1 . 1 1 16 16 ALA N N 16 124.034 124.034 125.811 -1.777 25791 84 1 1 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.012 0.123 25791 85 1 1 . 1 1 16 16 ALA C C 16 179.899 179.899 178.944 0.955 25791 86 1 1 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.544 0.663 25791 87 1 1 . 1 1 16 16 ALA CB C 16 18.724 18.724 17.629 1.095 25791 88 1 1 . 1 1 16 16 ALA H H 16 6.873 6.873 7.633 -0.760 25791 89 1 1 . 1 1 17 17 VAL N N 17 117.150 117.150 117.696 -0.546 25791 90 1 1 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.715 -0.001 25791 91 1 1 . 1 1 17 17 VAL C C 17 178.537 178.537 177.300 1.237 25791 92 1 1 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.150 1.358 25791 93 1 1 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.766 -0.073 25791 94 1 1 . 1 1 17 17 VAL H H 17 8.162 8.162 8.359 -0.197 25791 95 1 1 . 1 1 18 18 GLN N N 18 119.489 119.489 119.269 0.220 25791 96 1 1 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.076 -0.019 25791 97 1 1 . 1 1 18 18 GLN C C 18 180.429 180.429 178.753 1.676 25791 98 1 1 . 1 1 18 18 GLN CA C 18 59.699 59.699 58.964 0.735 25791 99 1 1 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.574 0.612 25791 100 1 1 . 1 1 18 18 GLN H H 18 8.451 8.451 7.936 0.515 25791 101 1 1 . 1 1 19 19 PHE N N 19 117.940 117.940 118.724 -0.784 25791 102 1 1 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.452 0.379 25791 103 1 1 . 1 1 19 19 PHE C C 19 177.858 177.858 178.297 -0.439 25791 104 1 1 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.581 -1.552 25791 105 1 1 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.090 -2.185 25791 106 1 1 . 1 1 19 19 PHE H H 19 8.924 8.924 8.704 0.220 25791 107 1 1 . 1 1 20 20 GLN N N 20 120.297 120.297 119.560 0.737 25791 108 1 1 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.962 0.144 25791 109 1 1 . 1 1 20 20 GLN C C 20 178.986 178.986 178.654 0.332 25791 110 1 1 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.723 -0.160 25791 111 1 1 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.517 -0.622 25791 112 1 1 . 1 1 20 20 GLN H H 20 8.264 8.264 8.246 0.018 25791 113 1 1 . 1 1 21 21 GLN N N 21 118.595 118.595 119.320 -0.725 25791 114 1 1 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.056 0.026 25791 115 1 1 . 1 1 21 21 GLN C C 21 178.806 178.806 178.654 0.152 25791 116 1 1 . 1 1 21 21 GLN CA C 21 59.170 59.170 59.048 0.122 25791 117 1 1 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.867 -0.671 25791 118 1 1 . 1 1 21 21 GLN H H 21 8.527 8.527 8.462 0.065 25791 119 1 1 . 1 1 22 22 TYR N N 22 119.594 119.594 121.641 -2.047 25791 120 1 1 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.563 -0.316 25791 121 1 1 . 1 1 22 22 TYR C C 22 177.789 177.789 177.370 0.419 25791 122 1 1 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.089 1.623 25791 123 1 1 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.530 0.194 25791 124 1 1 . 1 1 22 22 TYR H H 22 7.843 7.843 8.089 -0.246 25791 125 1 1 . 1 1 23 23 ALA N N 23 120.663 120.663 121.452 -0.789 25791 126 1 1 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.756 0.101 25791 127 1 1 . 1 1 23 23 ALA C C 23 179.319 179.319 178.706 0.613 25791 128 1 1 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.911 0.678 25791 129 1 1 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.160 0.322 25791 130 1 1 . 1 1 23 23 ALA H H 23 8.612 8.612 8.704 -0.092 25791 131 1 1 . 1 1 24 24 ALA N N 24 119.002 119.002 120.470 -1.468 25791 132 1 1 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.106 -0.168 25791 133 1 1 . 1 1 24 24 ALA C C 24 178.987 178.987 179.065 -0.078 25791 134 1 1 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.068 0.249 25791 135 1 1 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.451 -0.559 25791 136 1 1 . 1 1 24 24 ALA H H 24 8.168 8.168 7.994 0.174 25791 137 1 1 . 1 1 25 25 GLN N N 25 115.599 115.599 117.167 -1.568 25791 138 1 1 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.017 -0.013 25791 139 1 1 . 1 1 25 25 GLN C C 25 177.818 177.818 178.430 -0.612 25791 140 1 1 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.154 -0.700 25791 141 1 1 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.904 -0.449 25791 142 1 1 . 1 1 25 25 GLN H H 25 7.300 7.300 7.579 -0.279 25791 143 1 1 . 1 1 26 26 GLN N N 26 116.989 116.989 116.457 0.532 25791 144 1 1 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.843 -0.139 25791 145 1 1 . 1 1 26 26 GLN C C 26 175.979 175.979 176.121 -0.142 25791 146 1 1 . 1 1 26 26 GLN CA C 26 56.788 56.788 57.041 -0.254 25791 147 1 1 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.293 -0.212 25791 148 1 1 . 1 1 26 26 GLN H H 26 7.401 7.401 7.477 -0.076 25791 149 1 1 . 1 1 27 27 TYR N N 27 114.712 114.712 117.665 -2.953 25791 150 1 1 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.887 0.191 25791 151 1 1 . 1 1 27 27 TYR C C 27 172.931 172.931 173.692 -0.761 25791 152 1 1 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.506 0.661 25791 153 1 1 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.196 1.464 25791 154 1 1 . 1 1 27 27 TYR H H 27 7.675 7.675 8.003 -0.328 25791 155 1 1 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.335 0.027 25791 156 1 1 . 1 1 28 28 PRO C C 28 179.333 179.333 177.908 1.425 25791 157 1 1 . 1 1 28 28 PRO CA C 28 64.394 64.394 64.131 0.263 25791 158 1 1 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.371 -1.117 25791 159 1 1 . 1 1 29 29 GLY N N 29 110.091 110.091 112.873 -2.782 25791 160 1 1 . 1 1 29 29 GLY C C 29 173.218 173.218 174.783 -1.565 25791 161 1 1 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.328 0.584 25791 162 1 1 . 1 1 29 29 GLY H H 29 8.826 8.826 8.755 0.071 25791 163 1 1 . 1 1 30 30 ASN N N 30 118.603 118.603 122.391 -3.788 25791 164 1 1 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.984 0.015 25791 165 1 1 . 1 1 30 30 ASN C C 30 173.977 173.977 175.043 -1.066 25791 166 1 1 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.415 -0.230 25791 167 1 1 . 1 1 30 30 ASN CB C 30 38.426 38.426 37.598 0.828 25791 168 1 1 . 1 1 30 30 ASN H H 30 7.293 7.293 7.736 -0.443 25791 169 1 1 . 1 1 31 31 TYR N N 31 125.240 125.240 126.839 -1.599 25791 170 1 1 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.056 -0.158 25791 171 1 1 . 1 1 31 31 TYR C C 31 177.343 177.343 176.878 0.465 25791 172 1 1 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.781 -0.970 25791 173 1 1 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.765 -0.408 25791 174 1 1 . 1 1 31 31 TYR H H 31 8.509 8.509 7.900 0.609 25791 175 1 1 . 1 1 32 32 GLU N N 32 118.993 118.993 117.948 1.045 25791 176 1 1 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.801 0.099 25791 177 1 1 . 1 1 32 32 GLU C C 32 179.549 179.549 178.716 0.833 25791 178 1 1 . 1 1 32 32 GLU CA C 32 60.112 60.112 60.041 0.070 25791 179 1 1 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.867 0.301 25791 180 1 1 . 1 1 32 32 GLU H H 32 8.714 8.714 8.746 -0.032 25791 181 1 1 . 1 1 33 33 GLN N N 33 117.037 117.037 117.917 -0.880 25791 182 1 1 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.825 -0.092 25791 183 1 1 . 1 1 33 33 GLN C C 33 179.119 179.119 178.580 0.539 25791 184 1 1 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.429 -0.727 25791 185 1 1 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.654 -0.028 25791 186 1 1 . 1 1 33 33 GLN H H 33 7.536 7.536 8.319 -0.783 25791 187 1 1 . 1 1 34 34 GLN N N 34 117.723 117.723 119.630 -1.907 25791 188 1 1 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.027 -0.216 25791 189 1 1 . 1 1 34 34 GLN C C 34 177.634 177.634 178.549 -0.915 25791 190 1 1 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.340 0.825 25791 191 1 1 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.542 -1.041 25791 192 1 1 . 1 1 34 34 GLN H H 34 7.968 7.968 8.326 -0.358 25791 193 1 1 . 1 1 35 35 GLN N N 35 115.293 115.293 118.890 -3.597 25791 194 1 1 . 1 1 35 35 GLN HA H 35 3.791 3.791 3.940 -0.149 25791 195 1 1 . 1 1 35 35 GLN C C 35 178.757 178.757 178.561 0.196 25791 196 1 1 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.463 0.147 25791 197 1 1 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.200 0.005 25791 198 1 1 . 1 1 35 35 GLN H H 35 7.870 7.870 7.871 -0.001 25791 199 1 1 . 1 1 36 36 ILE N N 36 120.769 120.769 120.453 0.316 25791 200 1 1 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.613 -0.049 25791 201 1 1 . 1 1 36 36 ILE C C 36 178.273 178.273 178.182 0.091 25791 202 1 1 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.211 0.025 25791 203 1 1 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.605 0.768 25791 204 1 1 . 1 1 36 36 ILE H H 36 7.503 7.503 8.154 -0.651 25791 205 1 1 . 1 1 37 37 LEU N N 37 121.056 121.056 121.176 -0.120 25791 206 1 1 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.042 0.267 25791 207 1 1 . 1 1 37 37 LEU C C 37 178.348 178.348 178.182 0.166 25791 208 1 1 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.844 -0.110 25791 209 1 1 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.699 -0.183 25791 210 1 1 . 1 1 37 37 LEU H H 37 7.678 7.678 7.684 -0.006 25791 211 1 1 . 1 1 38 38 ILE N N 38 119.334 119.334 119.920 -0.586 25791 212 1 1 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.452 -0.111 25791 213 1 1 . 1 1 38 38 ILE C C 38 177.371 177.371 177.974 -0.603 25791 214 1 1 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.628 1.457 25791 215 1 1 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.532 0.817 25791 216 1 1 . 1 1 38 38 ILE H H 38 8.702 8.702 8.171 0.531 25791 217 1 1 . 1 1 39 39 ARG N N 39 117.798 117.798 119.508 -1.710 25791 218 1 1 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.264 -0.049 25791 219 1 1 . 1 1 39 39 ARG C C 39 179.555 179.555 179.293 0.262 25791 220 1 1 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.651 -0.192 25791 221 1 1 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.846 -0.094 25791 222 1 1 . 1 1 39 39 ARG H H 39 7.739 7.739 8.383 -0.644 25791 223 1 1 . 1 1 40 40 GLN N N 40 119.432 119.432 118.532 0.900 25791 224 1 1 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.030 0.107 25791 225 1 1 . 1 1 40 40 GLN C C 40 179.522 179.522 178.470 1.052 25791 226 1 1 . 1 1 40 40 GLN CA C 40 59.260 59.260 59.055 0.205 25791 227 1 1 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.677 -0.319 25791 228 1 1 . 1 1 40 40 GLN H H 40 7.811 7.811 7.638 0.173 25791 229 1 1 . 1 1 41 41 LEU N N 41 121.592 121.592 120.175 1.417 25791 230 1 1 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.686 0.001 25791 231 1 1 . 1 1 41 41 LEU C C 41 178.974 178.974 178.925 0.049 25791 232 1 1 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.624 0.339 25791 233 1 1 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.789 -0.937 25791 234 1 1 . 1 1 41 41 LEU H H 41 8.648 8.648 8.096 0.552 25791 235 1 1 . 1 1 42 42 GLN N N 42 119.054 119.054 118.374 0.680 25791 236 1 1 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.235 0.309 25791 237 1 1 . 1 1 42 42 GLN C C 42 180.176 180.176 178.808 1.368 25791 238 1 1 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.607 -0.373 25791 239 1 1 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.685 -0.765 25791 240 1 1 . 1 1 42 42 GLN H H 42 8.641 8.641 8.551 0.090 25791 241 1 1 . 1 1 43 43 GLU N N 43 121.517 121.517 120.485 1.032 25791 242 1 1 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.138 0.098 25791 243 1 1 . 1 1 43 43 GLU C C 43 179.721 179.721 178.954 0.767 25791 244 1 1 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.369 0.298 25791 245 1 1 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.507 -0.249 25791 246 1 1 . 1 1 43 43 GLU H H 43 8.111 8.111 7.744 0.367 25791 247 1 1 . 1 1 44 44 GLN N N 44 119.240 119.240 119.291 -0.051 25791 248 1 1 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.221 -0.105 25791 249 1 1 . 1 1 44 44 GLN C C 44 179.012 179.012 178.386 0.626 25791 250 1 1 . 1 1 44 44 GLN CA C 44 59.149 59.149 59.052 0.097 25791 251 1 1 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.849 0.005 25791 252 1 1 . 1 1 44 44 GLN H H 44 8.372 8.372 8.085 0.287 25791 253 1 1 . 1 1 45 45 HIS N N 45 121.705 121.705 120.462 1.243 25791 254 1 1 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.278 0.002 25791 255 1 1 . 1 1 45 45 HIS C C 45 176.395 176.395 177.180 -0.785 25791 256 1 1 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.143 1.216 25791 257 1 1 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.552 1.773 25791 258 1 1 . 1 1 45 45 HIS H H 45 9.472 9.472 8.517 0.955 25791 259 1 1 . 1 1 46 46 TYR N N 46 119.039 119.039 120.250 -1.211 25791 260 1 1 . 1 1 46 46 TYR HA H 46 3.849 3.849 3.992 -0.143 25791 261 1 1 . 1 1 46 46 TYR C C 46 176.664 176.664 178.026 -1.362 25791 262 1 1 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.874 0.377 25791 263 1 1 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.306 -0.634 25791 264 1 1 . 1 1 46 46 TYR H H 46 8.253 8.253 8.049 0.204 25791 265 1 1 . 1 1 47 47 GLN N N 47 116.407 116.407 117.526 -1.119 25791 266 1 1 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.741 0.043 25791 267 1 1 . 1 1 47 47 GLN C C 47 179.048 179.048 178.301 0.747 25791 268 1 1 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.694 -0.745 25791 269 1 1 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.506 -0.325 25791 270 1 1 . 1 1 47 47 GLN H H 47 7.814 7.814 8.620 -0.806 25791 271 1 1 . 1 1 48 48 GLN N N 48 119.803 119.803 119.668 0.135 25791 272 1 1 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.064 -0.087 25791 273 1 1 . 1 1 48 48 GLN C C 48 177.741 177.741 178.139 -0.398 25791 274 1 1 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.342 -0.028 25791 275 1 1 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.358 -0.030 25791 276 1 1 . 1 1 48 48 GLN H H 48 8.645 8.645 8.279 0.366 25791 277 1 1 . 1 1 49 49 TYR N N 49 121.342 121.342 122.029 -0.687 25791 278 1 1 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.183 -0.543 25791 279 1 1 . 1 1 49 49 TYR C C 49 176.021 176.021 177.559 -1.538 25791 280 1 1 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.569 0.540 25791 281 1 1 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.205 0.702 25791 282 1 1 . 1 1 49 49 TYR H H 49 9.105 9.105 8.785 0.320 25791 283 1 1 . 1 1 50 50 MET N N 50 115.522 115.522 118.277 -2.755 25791 284 1 1 . 1 1 50 50 MET HA H 50 4.040 4.040 3.678 0.362 25791 285 1 1 . 1 1 50 50 MET C C 50 179.841 179.841 178.145 1.696 25791 286 1 1 . 1 1 50 50 MET CA C 50 56.623 56.623 58.493 -1.870 25791 287 1 1 . 1 1 50 50 MET CB C 50 30.099 30.099 32.149 -2.050 25791 288 1 1 . 1 1 50 50 MET H H 50 8.060 8.060 8.311 -0.251 25791 289 1 1 . 1 1 51 51 GLN N N 51 118.942 118.942 118.649 0.293 25791 290 1 1 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.876 0.189 25791 291 1 1 . 1 1 51 51 GLN C C 51 178.707 178.707 178.280 0.427 25791 292 1 1 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.417 -0.476 25791 293 1 1 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.374 0.115 25791 294 1 1 . 1 1 51 51 GLN H H 51 7.830 7.830 7.759 0.071 25791 295 1 1 . 1 1 52 52 GLN N N 52 119.210 119.210 119.289 -0.079 25791 296 1 1 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.037 0.020 25791 297 1 1 . 1 1 52 52 GLN C C 52 178.738 178.738 178.611 0.127 25791 298 1 1 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.649 0.100 25791 299 1 1 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.623 -0.220 25791 300 1 1 . 1 1 52 52 GLN H H 52 8.187 8.187 8.127 0.060 25791 301 1 1 . 1 1 53 53 LEU N N 53 121.233 121.233 120.901 0.332 25791 302 1 1 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.852 -0.011 25791 303 1 1 . 1 1 53 53 LEU C C 53 179.191 179.191 177.907 1.284 25791 304 1 1 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.523 0.222 25791 305 1 1 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.227 0.639 25791 306 1 1 . 1 1 53 53 LEU H H 53 8.441 8.441 8.131 0.310 25791 307 1 1 . 1 1 54 54 TYR N N 54 118.505 118.505 119.296 -0.791 25791 308 1 1 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.889 0.429 25791 309 1 1 . 1 1 54 54 TYR C C 54 177.535 177.535 177.619 -0.084 25791 310 1 1 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.118 -1.641 25791 311 1 1 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.279 -0.493 25791 312 1 1 . 1 1 54 54 TYR H H 54 7.819 7.819 7.906 -0.087 25791 313 1 1 . 1 1 55 55 GLN N N 55 117.299 117.299 117.789 -0.490 25791 314 1 1 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.006 -0.107 25791 315 1 1 . 1 1 55 55 GLN C C 55 179.041 179.041 178.408 0.633 25791 316 1 1 . 1 1 55 55 GLN CA C 55 58.709 58.709 59.151 -0.443 25791 317 1 1 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.669 -0.454 25791 318 1 1 . 1 1 55 55 GLN H H 55 7.735 7.735 7.708 0.027 25791 319 1 1 . 1 1 56 56 VAL N N 56 120.879 120.879 120.086 0.793 25791 320 1 1 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.622 0.170 25791 321 1 1 . 1 1 56 56 VAL C C 56 178.262 178.262 177.803 0.459 25791 322 1 1 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.569 -0.627 25791 323 1 1 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.495 0.384 25791 324 1 1 . 1 1 56 56 VAL H H 56 8.014 8.014 7.533 0.481 25791 325 1 1 . 1 1 57 57 GLN N N 57 120.513 120.513 119.942 0.571 25791 326 1 1 . 1 1 57 57 GLN HA H 57 4.060 4.060 4.257 -0.197 25791 327 1 1 . 1 1 57 57 GLN C C 57 178.772 178.772 178.344 0.428 25791 328 1 1 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.076 0.540 25791 329 1 1 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.914 0.071 25791 330 1 1 . 1 1 57 57 GLN H H 57 8.103 8.103 8.293 -0.190 25791 331 1 1 . 1 1 58 58 LEU N N 58 121.244 121.244 121.643 -0.399 25791 332 1 1 . 1 1 58 58 LEU HA H 58 4.005 4.005 4.010 -0.005 25791 333 1 1 . 1 1 58 58 LEU C C 58 179.134 179.134 177.916 1.218 25791 334 1 1 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.217 0.289 25791 335 1 1 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.397 0.406 25791 336 1 1 . 1 1 58 58 LEU H H 58 8.176 8.176 7.745 0.431 25791 337 1 1 . 1 1 59 59 ALA N N 59 121.608 121.608 121.389 0.219 25791 338 1 1 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.877 0.287 25791 339 1 1 . 1 1 59 59 ALA C C 59 180.497 180.497 179.808 0.689 25791 340 1 1 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.283 -0.701 25791 341 1 1 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.111 -0.058 25791 342 1 1 . 1 1 59 59 ALA H H 59 7.833 7.833 8.060 -0.227 25791 343 1 1 . 1 1 60 60 GLN N N 60 118.335 118.335 117.874 0.461 25791 344 1 1 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.871 0.277 25791 345 1 1 . 1 1 60 60 GLN C C 60 178.334 178.334 178.405 -0.071 25791 346 1 1 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.945 -0.968 25791 347 1 1 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.567 -0.132 25791 348 1 1 . 1 1 60 60 GLN H H 60 8.081 8.081 8.215 -0.134 25791 349 1 1 . 1 1 61 61 GLN N N 61 120.206 120.206 119.904 0.302 25791 350 1 1 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.921 0.241 25791 351 1 1 . 1 1 61 61 GLN C C 61 178.002 178.002 178.519 -0.517 25791 352 1 1 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.991 -1.086 25791 353 1 1 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.552 0.027 25791 354 1 1 . 1 1 61 61 GLN H H 61 8.111 8.111 7.983 0.128 25791 355 1 1 . 1 1 62 62 GLN N N 62 118.980 118.980 118.780 0.200 25791 356 1 1 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.273 -0.144 25791 357 1 1 . 1 1 62 62 GLN C C 62 177.624 177.624 178.467 -0.843 25791 358 1 1 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.694 -1.058 25791 359 1 1 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.774 -0.138 25791 360 1 1 . 1 1 62 62 GLN H H 62 8.203 8.203 8.539 -0.336 25791 361 1 1 . 1 1 63 63 ALA N N 63 122.712 122.712 121.684 1.028 25791 362 1 1 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.172 0.034 25791 363 1 1 . 1 1 63 63 ALA C C 63 178.922 178.922 178.745 0.177 25791 364 1 1 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.337 -0.440 25791 365 1 1 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.204 0.255 25791 366 1 1 . 1 1 63 63 ALA H H 63 8.004 8.004 8.020 -0.016 25791 367 1 1 . 1 1 64 64 ALA N N 64 120.813 120.813 120.804 0.009 25791 368 1 1 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.154 0.078 25791 369 1 1 . 1 1 64 64 ALA C C 64 178.732 178.732 178.710 0.022 25791 370 1 1 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.081 -0.565 25791 371 1 1 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.158 -0.528 25791 372 1 1 . 1 1 64 64 ALA H H 64 7.837 7.837 7.706 0.131 25791 373 1 1 . 1 1 65 65 LEU N N 65 119.196 119.196 119.338 -0.142 25791 374 1 1 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.249 0.008 25791 375 1 1 . 1 1 65 65 LEU C C 65 178.038 178.038 177.988 0.050 25791 376 1 1 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.499 -0.677 25791 377 1 1 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.044 0.220 25791 378 1 1 . 1 1 65 65 LEU H H 65 7.765 7.765 7.720 0.045 25791 379 1 1 . 1 1 66 66 GLN N N 66 119.365 119.365 114.422 4.943 25791 380 1 1 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.948 0.327 25791 381 1 1 . 1 1 66 66 GLN C C 66 176.120 176.120 175.431 0.689 25791 382 1 1 . 1 1 66 66 GLN CA C 66 56.067 56.067 57.272 -1.205 25791 383 1 1 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.193 2.939 25791 384 1 1 . 1 1 66 66 GLN H H 66 7.967 7.967 8.383 -0.416 25791 385 1 1 . 1 1 67 67 LYS N N 67 121.521 121.521 119.783 1.738 25791 386 1 1 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.383 -0.074 25791 387 1 1 . 1 1 67 67 LYS C C 67 176.437 176.437 175.845 0.592 25791 388 1 1 . 1 1 67 67 LYS CA C 67 56.389 56.389 55.720 0.669 25791 389 1 1 . 1 1 67 67 LYS CB C 67 33.041 33.041 32.695 0.346 25791 390 1 1 . 1 1 67 67 LYS H H 67 8.053 8.053 7.840 0.213 25791 391 1 1 . 1 1 68 68 GLN N N 68 121.970 121.970 116.737 5.233 25791 392 1 1 . 1 1 68 68 GLN HA H 68 4.339 4.339 3.918 0.421 25791 393 1 1 . 1 1 68 68 GLN C C 68 175.120 175.120 174.180 0.940 25791 394 1 1 . 1 1 68 68 GLN CA C 68 56.000 56.000 57.116 -1.116 25791 395 1 1 . 1 1 68 68 GLN CB C 68 29.498 29.498 27.274 2.224 25791 396 1 1 . 1 1 68 68 GLN H H 68 8.314 8.314 8.500 -0.186 25791 397 1 2 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.495 -0.048 25791 398 1 2 . 1 1 2 2 GLN C C 2 176.144 176.144 176.976 -0.832 25791 399 1 2 . 1 1 2 2 GLN CA C 2 56.209 56.209 55.402 0.807 25791 400 1 2 . 1 1 2 2 GLN CB C 2 29.459 29.459 29.956 -0.497 25791 401 1 2 . 1 1 3 3 GLN N N 3 122.052 122.052 123.604 -1.552 25791 402 1 2 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.005 0.318 25791 403 1 2 . 1 1 3 3 GLN C C 3 176.988 176.988 177.939 -0.951 25791 404 1 2 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.642 -1.239 25791 405 1 2 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.661 0.578 25791 406 1 2 . 1 1 3 3 GLN H H 3 8.780 8.780 8.937 -0.157 25791 407 1 2 . 1 1 4 4 LYS N N 4 121.855 121.855 119.217 2.638 25791 408 1 2 . 1 1 4 4 LYS HA H 4 4.004 4.004 3.957 0.047 25791 409 1 2 . 1 1 4 4 LYS C C 4 177.638 177.638 178.489 -0.851 25791 410 1 2 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.456 0.783 25791 411 1 2 . 1 1 4 4 LYS CB C 4 32.699 32.699 31.921 0.778 25791 412 1 2 . 1 1 4 4 LYS H H 4 8.528 8.528 8.461 0.067 25791 413 1 2 . 1 1 5 5 GLN N N 5 116.397 116.397 118.045 -1.648 25791 414 1 2 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.920 0.021 25791 415 1 2 . 1 1 5 5 GLN C C 5 178.761 178.761 178.228 0.533 25791 416 1 2 . 1 1 5 5 GLN CA C 5 59.349 59.349 59.180 0.169 25791 417 1 2 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.417 -0.467 25791 418 1 2 . 1 1 5 5 GLN H H 5 8.223 8.223 7.771 0.452 25791 419 1 2 . 1 1 6 6 GLN N N 6 119.262 119.262 118.291 0.971 25791 420 1 2 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.132 -0.004 25791 421 1 2 . 1 1 6 6 GLN C C 6 179.018 179.018 178.245 0.773 25791 422 1 2 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.899 0.190 25791 423 1 2 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.091 0.619 25791 424 1 2 . 1 1 6 6 GLN H H 6 7.848 7.848 7.809 0.039 25791 425 1 2 . 1 1 7 7 ILE N N 7 121.296 121.296 121.926 -0.630 25791 426 1 2 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.904 -0.321 25791 427 1 2 . 1 1 7 7 ILE C C 7 177.833 177.833 178.292 -0.459 25791 428 1 2 . 1 1 7 7 ILE CA C 7 65.129 65.129 63.555 1.574 25791 429 1 2 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.063 1.143 25791 430 1 2 . 1 1 7 7 ILE H H 7 8.095 8.095 7.240 0.855 25791 431 1 2 . 1 1 8 8 MET N N 8 117.603 117.603 119.018 -1.415 25791 432 1 2 . 1 1 8 8 MET HA H 8 3.985 3.985 4.124 -0.139 25791 433 1 2 . 1 1 8 8 MET C C 8 177.355 177.355 179.034 -1.679 25791 434 1 2 . 1 1 8 8 MET CA C 8 59.932 59.932 56.763 3.169 25791 435 1 2 . 1 1 8 8 MET CB C 8 32.721 32.721 30.374 2.347 25791 436 1 2 . 1 1 8 8 MET H H 8 8.672 8.672 8.400 0.272 25791 437 1 2 . 1 1 9 9 ALA N N 9 118.774 118.774 121.662 -2.888 25791 438 1 2 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.051 -0.005 25791 439 1 2 . 1 1 9 9 ALA C C 9 180.546 180.546 179.481 1.065 25791 440 1 2 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.065 0.320 25791 441 1 2 . 1 1 9 9 ALA CB C 9 17.898 17.898 18.027 -0.129 25791 442 1 2 . 1 1 9 9 ALA H H 9 7.795 7.795 8.182 -0.387 25791 443 1 2 . 1 1 10 10 ALA N N 10 120.854 120.854 121.574 -0.720 25791 444 1 2 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.111 0.094 25791 445 1 2 . 1 1 10 10 ALA C C 10 181.200 181.200 179.607 1.593 25791 446 1 2 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.796 0.216 25791 447 1 2 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.325 0.936 25791 448 1 2 . 1 1 10 10 ALA H H 10 7.438 7.438 7.714 -0.276 25791 449 1 2 . 1 1 11 11 LEU N N 11 120.775 120.775 118.936 1.839 25791 450 1 2 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.788 -0.040 25791 451 1 2 . 1 1 11 11 LEU C C 11 179.041 179.041 179.360 -0.319 25791 452 1 2 . 1 1 11 11 LEU CA C 11 58.346 58.346 58.009 0.337 25791 453 1 2 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.213 -1.236 25791 454 1 2 . 1 1 11 11 LEU H H 11 8.757 8.757 8.717 0.040 25791 455 1 2 . 1 1 12 12 ASN N N 12 116.313 116.313 117.742 -1.429 25791 456 1 2 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.416 0.148 25791 457 1 2 . 1 1 12 12 ASN C C 12 178.900 178.900 177.662 1.238 25791 458 1 2 . 1 1 12 12 ASN CA C 12 54.065 54.065 56.425 -2.360 25791 459 1 2 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.206 -1.213 25791 460 1 2 . 1 1 12 12 ASN H H 12 8.850 8.850 8.442 0.408 25791 461 1 2 . 1 1 13 13 SER N N 13 114.747 114.747 115.396 -0.649 25791 462 1 2 . 1 1 13 13 SER HA H 13 4.370 4.370 4.206 0.164 25791 463 1 2 . 1 1 13 13 SER C C 13 176.515 176.515 176.801 -0.286 25791 464 1 2 . 1 1 13 13 SER CA C 13 61.141 61.141 61.460 -0.319 25791 465 1 2 . 1 1 13 13 SER CB C 13 63.044 63.044 63.190 -0.146 25791 466 1 2 . 1 1 13 13 SER H H 13 7.672 7.672 7.814 -0.142 25791 467 1 2 . 1 1 14 14 GLN N N 14 119.954 119.954 118.239 1.715 25791 468 1 2 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.276 -0.058 25791 469 1 2 . 1 1 14 14 GLN C C 14 178.208 178.208 177.188 1.020 25791 470 1 2 . 1 1 14 14 GLN CA C 14 57.749 57.749 57.863 -0.114 25791 471 1 2 . 1 1 14 14 GLN CB C 14 28.700 28.700 29.024 -0.324 25791 472 1 2 . 1 1 14 14 GLN H H 14 7.573 7.573 7.812 -0.239 25791 473 1 2 . 1 1 15 15 THR N N 15 107.493 107.493 108.644 -1.151 25791 474 1 2 . 1 1 15 15 THR HA H 15 3.899 3.899 4.313 -0.414 25791 475 1 2 . 1 1 15 15 THR C C 15 174.683 174.683 175.065 -0.382 25791 476 1 2 . 1 1 15 15 THR CA C 15 61.551 61.551 60.960 0.591 25791 477 1 2 . 1 1 15 15 THR CB C 15 69.226 69.226 69.026 0.200 25791 478 1 2 . 1 1 15 15 THR H H 15 7.741 7.741 7.625 0.116 25791 479 1 2 . 1 1 16 16 ALA N N 16 124.034 124.034 126.140 -2.106 25791 480 1 2 . 1 1 16 16 ALA HA H 16 4.135 4.135 3.965 0.170 25791 481 1 2 . 1 1 16 16 ALA C C 16 179.899 179.899 178.564 1.335 25791 482 1 2 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.701 0.506 25791 483 1 2 . 1 1 16 16 ALA CB C 16 18.724 18.724 17.966 0.758 25791 484 1 2 . 1 1 16 16 ALA H H 16 6.873 6.873 7.579 -0.706 25791 485 1 2 . 1 1 17 17 VAL N N 17 117.150 117.150 117.807 -0.657 25791 486 1 2 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.734 -0.020 25791 487 1 2 . 1 1 17 17 VAL C C 17 178.537 178.537 177.434 1.103 25791 488 1 2 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.241 1.267 25791 489 1 2 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.741 -0.047 25791 490 1 2 . 1 1 17 17 VAL H H 17 8.162 8.162 8.354 -0.192 25791 491 1 2 . 1 1 18 18 GLN N N 18 119.489 119.489 119.541 -0.052 25791 492 1 2 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.055 0.002 25791 493 1 2 . 1 1 18 18 GLN C C 18 180.429 180.429 178.918 1.511 25791 494 1 2 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.456 0.243 25791 495 1 2 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.500 0.686 25791 496 1 2 . 1 1 18 18 GLN H H 18 8.451 8.451 8.010 0.441 25791 497 1 2 . 1 1 19 19 PHE N N 19 117.940 117.940 118.861 -0.921 25791 498 1 2 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.499 0.331 25791 499 1 2 . 1 1 19 19 PHE C C 19 177.858 177.858 178.332 -0.474 25791 500 1 2 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.437 -1.408 25791 501 1 2 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.180 -2.275 25791 502 1 2 . 1 1 19 19 PHE H H 19 8.924 8.924 8.967 -0.043 25791 503 1 2 . 1 1 20 20 GLN N N 20 120.297 120.297 119.635 0.662 25791 504 1 2 . 1 1 20 20 GLN HA H 20 4.106 4.106 4.077 0.029 25791 505 1 2 . 1 1 20 20 GLN C C 20 178.986 178.986 178.728 0.258 25791 506 1 2 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.540 0.023 25791 507 1 2 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.624 -0.729 25791 508 1 2 . 1 1 20 20 GLN H H 20 8.264 8.264 8.311 -0.047 25791 509 1 2 . 1 1 21 21 GLN N N 21 118.595 118.595 119.008 -0.413 25791 510 1 2 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.107 -0.025 25791 511 1 2 . 1 1 21 21 GLN C C 21 178.806 178.806 178.553 0.253 25791 512 1 2 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.586 0.584 25791 513 1 2 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.502 -0.305 25791 514 1 2 . 1 1 21 21 GLN H H 21 8.527 8.527 8.439 0.088 25791 515 1 2 . 1 1 22 22 TYR N N 22 119.594 119.594 121.575 -1.981 25791 516 1 2 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.243 0.004 25791 517 1 2 . 1 1 22 22 TYR C C 22 177.789 177.789 177.176 0.613 25791 518 1 2 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.446 1.266 25791 519 1 2 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.328 0.396 25791 520 1 2 . 1 1 22 22 TYR H H 22 7.843 7.843 8.119 -0.276 25791 521 1 2 . 1 1 23 23 ALA N N 23 120.663 120.663 121.272 -0.609 25791 522 1 2 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.817 0.040 25791 523 1 2 . 1 1 23 23 ALA C C 23 179.319 179.319 178.746 0.573 25791 524 1 2 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.892 0.697 25791 525 1 2 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.167 0.315 25791 526 1 2 . 1 1 23 23 ALA H H 23 8.612 8.612 8.572 0.040 25791 527 1 2 . 1 1 24 24 ALA N N 24 119.002 119.002 121.238 -2.236 25791 528 1 2 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.109 -0.171 25791 529 1 2 . 1 1 24 24 ALA C C 24 178.987 178.987 178.930 0.057 25791 530 1 2 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.382 -0.065 25791 531 1 2 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.785 -0.894 25791 532 1 2 . 1 1 24 24 ALA H H 24 8.168 8.168 8.090 0.078 25791 533 1 2 . 1 1 25 25 GLN N N 25 115.599 115.599 116.417 -0.818 25791 534 1 2 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.025 -0.021 25791 535 1 2 . 1 1 25 25 GLN C C 25 177.818 177.818 177.968 -0.150 25791 536 1 2 . 1 1 25 25 GLN CA C 25 57.454 57.454 57.875 -0.421 25791 537 1 2 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.629 -0.174 25791 538 1 2 . 1 1 25 25 GLN H H 25 7.300 7.300 7.590 -0.290 25791 539 1 2 . 1 1 26 26 GLN N N 26 116.989 116.989 117.224 -0.235 25791 540 1 2 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.882 -0.178 25791 541 1 2 . 1 1 26 26 GLN C C 26 175.979 175.979 175.805 0.174 25791 542 1 2 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.782 0.006 25791 543 1 2 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.764 -0.683 25791 544 1 2 . 1 1 26 26 GLN H H 26 7.401 7.401 7.428 -0.027 25791 545 1 2 . 1 1 27 27 TYR N N 27 114.712 114.712 117.943 -3.231 25791 546 1 2 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.881 0.197 25791 547 1 2 . 1 1 27 27 TYR C C 27 172.931 172.931 173.651 -0.720 25791 548 1 2 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.745 0.422 25791 549 1 2 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.502 1.158 25791 550 1 2 . 1 1 27 27 TYR H H 27 7.675 7.675 8.102 -0.427 25791 551 1 2 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.360 0.002 25791 552 1 2 . 1 1 28 28 PRO C C 28 179.333 179.333 177.882 1.451 25791 553 1 2 . 1 1 28 28 PRO CA C 28 64.394 64.394 64.145 0.249 25791 554 1 2 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.252 -0.998 25791 555 1 2 . 1 1 29 29 GLY N N 29 110.091 110.091 113.388 -3.297 25791 556 1 2 . 1 1 29 29 GLY C C 29 173.218 173.218 174.736 -1.518 25791 557 1 2 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.300 0.612 25791 558 1 2 . 1 1 29 29 GLY H H 29 8.826 8.826 8.760 0.066 25791 559 1 2 . 1 1 30 30 ASN N N 30 118.603 118.603 122.096 -3.493 25791 560 1 2 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.988 0.011 25791 561 1 2 . 1 1 30 30 ASN C C 30 173.977 173.977 175.019 -1.042 25791 562 1 2 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.380 -0.195 25791 563 1 2 . 1 1 30 30 ASN CB C 30 38.426 38.426 37.607 0.819 25791 564 1 2 . 1 1 30 30 ASN H H 30 7.293 7.293 7.753 -0.460 25791 565 1 2 . 1 1 31 31 TYR N N 31 125.240 125.240 126.499 -1.259 25791 566 1 2 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.058 -0.160 25791 567 1 2 . 1 1 31 31 TYR C C 31 177.343 177.343 176.971 0.372 25791 568 1 2 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.715 -0.904 25791 569 1 2 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.748 -0.391 25791 570 1 2 . 1 1 31 31 TYR H H 31 8.509 8.509 7.872 0.637 25791 571 1 2 . 1 1 32 32 GLU N N 32 118.993 118.993 117.746 1.247 25791 572 1 2 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.772 0.128 25791 573 1 2 . 1 1 32 32 GLU C C 32 179.549 179.549 178.735 0.814 25791 574 1 2 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.931 0.181 25791 575 1 2 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.862 0.306 25791 576 1 2 . 1 1 32 32 GLU H H 32 8.714 8.714 8.737 -0.023 25791 577 1 2 . 1 1 33 33 GLN N N 33 117.037 117.037 117.942 -0.905 25791 578 1 2 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.824 -0.091 25791 579 1 2 . 1 1 33 33 GLN C C 33 179.119 179.119 178.498 0.621 25791 580 1 2 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.356 -0.654 25791 581 1 2 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.668 -0.042 25791 582 1 2 . 1 1 33 33 GLN H H 33 7.536 7.536 8.321 -0.785 25791 583 1 2 . 1 1 34 34 GLN N N 34 117.723 117.723 119.694 -1.971 25791 584 1 2 . 1 1 34 34 GLN HA H 34 3.811 3.811 3.979 -0.168 25791 585 1 2 . 1 1 34 34 GLN C C 34 177.634 177.634 178.477 -0.843 25791 586 1 2 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.367 0.798 25791 587 1 2 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.514 -1.013 25791 588 1 2 . 1 1 34 34 GLN H H 34 7.968 7.968 8.294 -0.326 25791 589 1 2 . 1 1 35 35 GLN N N 35 115.293 115.293 118.857 -3.564 25791 590 1 2 . 1 1 35 35 GLN HA H 35 3.791 3.791 3.956 -0.165 25791 591 1 2 . 1 1 35 35 GLN C C 35 178.757 178.757 178.614 0.143 25791 592 1 2 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.428 0.182 25791 593 1 2 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.165 0.040 25791 594 1 2 . 1 1 35 35 GLN H H 35 7.870 7.870 7.816 0.054 25791 595 1 2 . 1 1 36 36 ILE N N 36 120.769 120.769 120.288 0.481 25791 596 1 2 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.658 -0.094 25791 597 1 2 . 1 1 36 36 ILE C C 36 178.273 178.273 178.190 0.083 25791 598 1 2 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.103 0.133 25791 599 1 2 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.633 0.740 25791 600 1 2 . 1 1 36 36 ILE H H 36 7.503 7.503 8.051 -0.548 25791 601 1 2 . 1 1 37 37 LEU N N 37 121.056 121.056 121.646 -0.590 25791 602 1 2 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.061 0.248 25791 603 1 2 . 1 1 37 37 LEU C C 37 178.348 178.348 178.144 0.204 25791 604 1 2 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.879 -0.145 25791 605 1 2 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.786 -0.270 25791 606 1 2 . 1 1 37 37 LEU H H 37 7.678 7.678 7.820 -0.142 25791 607 1 2 . 1 1 38 38 ILE N N 38 119.334 119.334 119.438 -0.104 25791 608 1 2 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.562 -0.221 25791 609 1 2 . 1 1 38 38 ILE C C 38 177.371 177.371 177.741 -0.370 25791 610 1 2 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.710 1.375 25791 611 1 2 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.689 0.660 25791 612 1 2 . 1 1 38 38 ILE H H 38 8.702 8.702 8.361 0.341 25791 613 1 2 . 1 1 39 39 ARG N N 39 117.798 117.798 119.510 -1.712 25791 614 1 2 . 1 1 39 39 ARG HA H 39 4.215 4.215 3.963 0.252 25791 615 1 2 . 1 1 39 39 ARG C C 39 179.555 179.555 178.435 1.120 25791 616 1 2 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.724 -0.265 25791 617 1 2 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.614 0.138 25791 618 1 2 . 1 1 39 39 ARG H H 39 7.739 7.739 8.446 -0.707 25791 619 1 2 . 1 1 40 40 GLN N N 40 119.432 119.432 119.607 -0.175 25791 620 1 2 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.091 0.046 25791 621 1 2 . 1 1 40 40 GLN C C 40 179.522 179.522 178.604 0.918 25791 622 1 2 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.852 0.408 25791 623 1 2 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.712 -0.354 25791 624 1 2 . 1 1 40 40 GLN H H 40 7.811 7.811 7.542 0.269 25791 625 1 2 . 1 1 41 41 LEU N N 41 121.592 121.592 120.457 1.135 25791 626 1 2 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.762 -0.075 25791 627 1 2 . 1 1 41 41 LEU C C 41 178.974 178.974 179.326 -0.352 25791 628 1 2 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.755 0.208 25791 629 1 2 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.952 -1.100 25791 630 1 2 . 1 1 41 41 LEU H H 41 8.648 8.648 8.299 0.349 25791 631 1 2 . 1 1 42 42 GLN N N 42 119.054 119.054 118.197 0.857 25791 632 1 2 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.487 0.057 25791 633 1 2 . 1 1 42 42 GLN C C 42 180.176 180.176 179.010 1.166 25791 634 1 2 . 1 1 42 42 GLN CA C 42 59.234 59.234 58.646 0.588 25791 635 1 2 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.196 -0.276 25791 636 1 2 . 1 1 42 42 GLN H H 42 8.641 8.641 8.718 -0.077 25791 637 1 2 . 1 1 43 43 GLU N N 43 121.517 121.517 122.047 -0.530 25791 638 1 2 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.092 0.144 25791 639 1 2 . 1 1 43 43 GLU C C 43 179.721 179.721 179.060 0.661 25791 640 1 2 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.736 -0.069 25791 641 1 2 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.436 -0.178 25791 642 1 2 . 1 1 43 43 GLU H H 43 8.111 8.111 7.890 0.221 25791 643 1 2 . 1 1 44 44 GLN N N 44 119.240 119.240 118.204 1.036 25791 644 1 2 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.038 0.078 25791 645 1 2 . 1 1 44 44 GLN C C 44 179.012 179.012 178.422 0.590 25791 646 1 2 . 1 1 44 44 GLN CA C 44 59.149 59.149 59.136 0.013 25791 647 1 2 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.769 0.085 25791 648 1 2 . 1 1 44 44 GLN H H 44 8.372 8.372 8.196 0.176 25791 649 1 2 . 1 1 45 45 HIS N N 45 121.705 121.705 120.890 0.815 25791 650 1 2 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.291 -0.011 25791 651 1 2 . 1 1 45 45 HIS C C 45 176.395 176.395 177.182 -0.787 25791 652 1 2 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.210 1.149 25791 653 1 2 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.604 1.721 25791 654 1 2 . 1 1 45 45 HIS H H 45 9.472 9.472 8.570 0.902 25791 655 1 2 . 1 1 46 46 TYR N N 46 119.039 119.039 120.772 -1.733 25791 656 1 2 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.003 -0.154 25791 657 1 2 . 1 1 46 46 TYR C C 46 176.664 176.664 178.089 -1.425 25791 658 1 2 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.898 0.353 25791 659 1 2 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.390 -0.718 25791 660 1 2 . 1 1 46 46 TYR H H 46 8.253 8.253 8.682 -0.429 25791 661 1 2 . 1 1 47 47 GLN N N 47 116.407 116.407 117.186 -0.779 25791 662 1 2 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.826 -0.042 25791 663 1 2 . 1 1 47 47 GLN C C 47 179.048 179.048 178.653 0.395 25791 664 1 2 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.154 -0.205 25791 665 1 2 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.108 0.073 25791 666 1 2 . 1 1 47 47 GLN H H 47 7.814 7.814 8.466 -0.651 25791 667 1 2 . 1 1 48 48 GLN N N 48 119.803 119.803 120.097 -0.294 25791 668 1 2 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.081 -0.104 25791 669 1 2 . 1 1 48 48 GLN C C 48 177.741 177.741 178.201 -0.460 25791 670 1 2 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.464 -0.150 25791 671 1 2 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.424 -0.096 25791 672 1 2 . 1 1 48 48 GLN H H 48 8.645 8.645 8.347 0.298 25791 673 1 2 . 1 1 49 49 TYR N N 49 121.342 121.342 121.626 -0.284 25791 674 1 2 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.144 -0.504 25791 675 1 2 . 1 1 49 49 TYR C C 49 176.021 176.021 177.603 -1.582 25791 676 1 2 . 1 1 49 49 TYR CA C 49 62.109 62.109 60.977 1.132 25791 677 1 2 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.108 0.799 25791 678 1 2 . 1 1 49 49 TYR H H 49 9.105 9.105 8.723 0.382 25791 679 1 2 . 1 1 50 50 MET N N 50 115.522 115.522 118.079 -2.557 25791 680 1 2 . 1 1 50 50 MET HA H 50 4.040 4.040 3.485 0.555 25791 681 1 2 . 1 1 50 50 MET C C 50 179.841 179.841 178.340 1.501 25791 682 1 2 . 1 1 50 50 MET CA C 50 56.623 56.623 58.483 -1.860 25791 683 1 2 . 1 1 50 50 MET CB C 50 30.099 30.099 32.084 -1.985 25791 684 1 2 . 1 1 50 50 MET H H 50 8.060 8.060 8.266 -0.206 25791 685 1 2 . 1 1 51 51 GLN N N 51 118.942 118.942 117.554 1.388 25791 686 1 2 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.924 0.141 25791 687 1 2 . 1 1 51 51 GLN C C 51 178.707 178.707 178.612 0.095 25791 688 1 2 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.071 -0.130 25791 689 1 2 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.259 0.230 25791 690 1 2 . 1 1 51 51 GLN H H 51 7.830 7.830 7.727 0.103 25791 691 1 2 . 1 1 52 52 GLN N N 52 119.210 119.210 120.054 -0.844 25791 692 1 2 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.144 -0.087 25791 693 1 2 . 1 1 52 52 GLN C C 52 178.738 178.738 178.505 0.233 25791 694 1 2 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.217 0.532 25791 695 1 2 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.385 0.018 25791 696 1 2 . 1 1 52 52 GLN H H 52 8.187 8.187 8.226 -0.039 25791 697 1 2 . 1 1 53 53 LEU N N 53 121.233 121.233 121.412 -0.179 25791 698 1 2 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.943 -0.102 25791 699 1 2 . 1 1 53 53 LEU C C 53 179.191 179.191 177.985 1.206 25791 700 1 2 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.820 -0.075 25791 701 1 2 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.277 0.589 25791 702 1 2 . 1 1 53 53 LEU H H 53 8.441 8.441 8.305 0.136 25791 703 1 2 . 1 1 54 54 TYR N N 54 118.505 118.505 119.097 -0.592 25791 704 1 2 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.887 0.431 25791 705 1 2 . 1 1 54 54 TYR C C 54 177.535 177.535 177.674 -0.139 25791 706 1 2 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.181 -1.704 25791 707 1 2 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.298 -0.512 25791 708 1 2 . 1 1 54 54 TYR H H 54 7.819 7.819 7.941 -0.122 25791 709 1 2 . 1 1 55 55 GLN N N 55 117.299 117.299 118.137 -0.838 25791 710 1 2 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.041 -0.142 25791 711 1 2 . 1 1 55 55 GLN C C 55 179.041 179.041 178.498 0.543 25791 712 1 2 . 1 1 55 55 GLN CA C 55 58.709 58.709 59.087 -0.378 25791 713 1 2 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.714 -0.499 25791 714 1 2 . 1 1 55 55 GLN H H 55 7.735 7.735 7.698 0.037 25791 715 1 2 . 1 1 56 56 VAL N N 56 120.879 120.879 120.374 0.505 25791 716 1 2 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.573 0.219 25791 717 1 2 . 1 1 56 56 VAL C C 56 178.262 178.262 177.794 0.468 25791 718 1 2 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.478 -0.536 25791 719 1 2 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.724 0.154 25791 720 1 2 . 1 1 56 56 VAL H H 56 8.014 8.014 7.733 0.281 25791 721 1 2 . 1 1 57 57 GLN N N 57 120.513 120.513 119.775 0.738 25791 722 1 2 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.979 0.081 25791 723 1 2 . 1 1 57 57 GLN C C 57 178.772 178.772 178.203 0.569 25791 724 1 2 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.405 0.211 25791 725 1 2 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.733 0.252 25791 726 1 2 . 1 1 57 57 GLN H H 57 8.103 8.103 8.389 -0.286 25791 727 1 2 . 1 1 58 58 LEU N N 58 121.244 121.244 121.463 -0.219 25791 728 1 2 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.963 0.042 25791 729 1 2 . 1 1 58 58 LEU C C 58 179.134 179.134 178.188 0.946 25791 730 1 2 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.261 0.245 25791 731 1 2 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.237 0.566 25791 732 1 2 . 1 1 58 58 LEU H H 58 8.176 8.176 7.847 0.329 25791 733 1 2 . 1 1 59 59 ALA N N 59 121.608 121.608 121.346 0.262 25791 734 1 2 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.887 0.278 25791 735 1 2 . 1 1 59 59 ALA C C 59 180.497 180.497 179.826 0.671 25791 736 1 2 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.293 -0.711 25791 737 1 2 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.117 -0.064 25791 738 1 2 . 1 1 59 59 ALA H H 59 7.833 7.833 7.989 -0.156 25791 739 1 2 . 1 1 60 60 GLN N N 60 118.335 118.335 117.761 0.574 25791 740 1 2 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.901 0.247 25791 741 1 2 . 1 1 60 60 GLN C C 60 178.334 178.334 178.494 -0.160 25791 742 1 2 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.949 -0.972 25791 743 1 2 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.543 -0.108 25791 744 1 2 . 1 1 60 60 GLN H H 60 8.081 8.081 8.054 0.027 25791 745 1 2 . 1 1 61 61 GLN N N 61 120.206 120.206 119.558 0.648 25791 746 1 2 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.963 0.199 25791 747 1 2 . 1 1 61 61 GLN C C 61 178.002 178.002 178.388 -0.386 25791 748 1 2 . 1 1 61 61 GLN CA C 61 57.905 57.905 59.143 -1.238 25791 749 1 2 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.576 0.003 25791 750 1 2 . 1 1 61 61 GLN H H 61 8.111 8.111 8.044 0.067 25791 751 1 2 . 1 1 62 62 GLN N N 62 118.980 118.980 118.467 0.513 25791 752 1 2 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.048 0.081 25791 753 1 2 . 1 1 62 62 GLN C C 62 177.624 177.624 178.290 -0.666 25791 754 1 2 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.848 -1.212 25791 755 1 2 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.549 0.087 25791 756 1 2 . 1 1 62 62 GLN H H 62 8.203 8.203 8.603 -0.400 25791 757 1 2 . 1 1 63 63 ALA N N 63 122.712 122.712 121.625 1.087 25791 758 1 2 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.148 0.058 25791 759 1 2 . 1 1 63 63 ALA C C 63 178.922 178.922 178.754 0.168 25791 760 1 2 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.380 -0.484 25791 761 1 2 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.226 0.233 25791 762 1 2 . 1 1 63 63 ALA H H 63 8.004 8.004 8.021 -0.017 25791 763 1 2 . 1 1 64 64 ALA N N 64 120.813 120.813 121.215 -0.402 25791 764 1 2 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.251 -0.019 25791 765 1 2 . 1 1 64 64 ALA C C 64 178.732 178.732 179.085 -0.353 25791 766 1 2 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.166 -0.650 25791 767 1 2 . 1 1 64 64 ALA CB C 64 18.630 18.630 18.973 -0.343 25791 768 1 2 . 1 1 64 64 ALA H H 64 7.837 7.837 7.561 0.276 25791 769 1 2 . 1 1 65 65 LEU N N 65 119.196 119.196 118.871 0.325 25791 770 1 2 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.182 0.075 25791 771 1 2 . 1 1 65 65 LEU C C 65 178.038 178.038 177.369 0.669 25791 772 1 2 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.569 -0.747 25791 773 1 2 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.152 0.112 25791 774 1 2 . 1 1 65 65 LEU H H 65 7.765 7.765 8.030 -0.266 25791 775 1 2 . 1 1 66 66 GLN N N 66 119.365 119.365 113.804 5.561 25791 776 1 2 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.923 0.352 25791 777 1 2 . 1 1 66 66 GLN C C 66 176.120 176.120 176.031 0.089 25791 778 1 2 . 1 1 66 66 GLN CA C 66 56.067 56.067 57.013 -0.946 25791 779 1 2 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.678 2.454 25791 780 1 2 . 1 1 66 66 GLN H H 66 7.967 7.967 8.250 -0.283 25791 781 1 2 . 1 1 67 67 LYS N N 67 121.521 121.521 118.956 2.565 25791 782 1 2 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.345 -0.036 25791 783 1 2 . 1 1 67 67 LYS C C 67 176.437 176.437 176.026 0.411 25791 784 1 2 . 1 1 67 67 LYS CA C 67 56.389 56.389 55.614 0.775 25791 785 1 2 . 1 1 67 67 LYS CB C 67 33.041 33.041 32.097 0.944 25791 786 1 2 . 1 1 67 67 LYS H H 67 8.053 8.053 7.972 0.081 25791 787 1 2 . 1 1 68 68 GLN N N 68 121.970 121.970 116.997 4.973 25791 788 1 2 . 1 1 68 68 GLN HA H 68 4.339 4.339 3.945 0.394 25791 789 1 2 . 1 1 68 68 GLN C C 68 175.120 175.120 174.675 0.445 25791 790 1 2 . 1 1 68 68 GLN CA C 68 56.000 56.000 56.527 -0.527 25791 791 1 2 . 1 1 68 68 GLN CB C 68 29.498 29.498 27.361 2.137 25791 792 1 2 . 1 1 68 68 GLN H H 68 8.314 8.314 8.303 0.011 25791 793 1 3 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.571 -0.124 25791 794 1 3 . 1 1 2 2 GLN C C 2 176.144 176.144 175.934 0.210 25791 795 1 3 . 1 1 2 2 GLN CA C 2 56.209 56.209 55.780 0.429 25791 796 1 3 . 1 1 2 2 GLN CB C 2 29.459 29.459 29.548 -0.089 25791 797 1 3 . 1 1 3 3 GLN N N 3 122.052 122.052 125.924 -3.872 25791 798 1 3 . 1 1 3 3 GLN HA H 3 4.323 4.323 3.992 0.331 25791 799 1 3 . 1 1 3 3 GLN C C 3 176.988 176.988 177.124 -0.136 25791 800 1 3 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.408 -1.005 25791 801 1 3 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.895 0.344 25791 802 1 3 . 1 1 3 3 GLN H H 3 8.780 8.780 8.921 -0.141 25791 803 1 3 . 1 1 4 4 LYS N N 4 121.855 121.855 119.691 2.164 25791 804 1 3 . 1 1 4 4 LYS HA H 4 4.004 4.004 3.953 0.051 25791 805 1 3 . 1 1 4 4 LYS C C 4 177.638 177.638 178.552 -0.914 25791 806 1 3 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.199 1.040 25791 807 1 3 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.103 0.596 25791 808 1 3 . 1 1 4 4 LYS H H 4 8.528 8.528 7.732 0.796 25791 809 1 3 . 1 1 5 5 GLN N N 5 116.397 116.397 117.500 -1.103 25791 810 1 3 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.934 0.007 25791 811 1 3 . 1 1 5 5 GLN C C 5 178.761 178.761 178.373 0.388 25791 812 1 3 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.764 0.585 25791 813 1 3 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.095 -0.145 25791 814 1 3 . 1 1 5 5 GLN H H 5 8.223 8.223 7.831 0.392 25791 815 1 3 . 1 1 6 6 GLN N N 6 119.262 119.262 118.805 0.457 25791 816 1 3 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.108 0.020 25791 817 1 3 . 1 1 6 6 GLN C C 6 179.018 179.018 178.394 0.624 25791 818 1 3 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.522 0.567 25791 819 1 3 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.062 0.648 25791 820 1 3 . 1 1 6 6 GLN H H 6 7.848 7.848 7.693 0.155 25791 821 1 3 . 1 1 7 7 ILE N N 7 121.296 121.296 121.540 -0.244 25791 822 1 3 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.800 -0.217 25791 823 1 3 . 1 1 7 7 ILE C C 7 177.833 177.833 178.057 -0.224 25791 824 1 3 . 1 1 7 7 ILE CA C 7 65.129 65.129 63.084 2.045 25791 825 1 3 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.064 1.142 25791 826 1 3 . 1 1 7 7 ILE H H 7 8.095 8.095 7.285 0.810 25791 827 1 3 . 1 1 8 8 MET N N 8 117.603 117.603 119.041 -1.438 25791 828 1 3 . 1 1 8 8 MET HA H 8 3.985 3.985 3.974 0.011 25791 829 1 3 . 1 1 8 8 MET C C 8 177.355 177.355 178.794 -1.439 25791 830 1 3 . 1 1 8 8 MET CA C 8 59.932 59.932 59.712 0.220 25791 831 1 3 . 1 1 8 8 MET CB C 8 32.721 32.721 32.005 0.716 25791 832 1 3 . 1 1 8 8 MET H H 8 8.672 8.672 8.277 0.395 25791 833 1 3 . 1 1 9 9 ALA N N 9 118.774 118.774 121.558 -2.784 25791 834 1 3 . 1 1 9 9 ALA HA H 9 4.046 4.046 3.983 0.063 25791 835 1 3 . 1 1 9 9 ALA C C 9 180.546 180.546 179.152 1.394 25791 836 1 3 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.045 0.340 25791 837 1 3 . 1 1 9 9 ALA CB C 9 17.898 17.898 18.034 -0.136 25791 838 1 3 . 1 1 9 9 ALA H H 9 7.795 7.795 8.249 -0.454 25791 839 1 3 . 1 1 10 10 ALA N N 10 120.854 120.854 121.453 -0.599 25791 840 1 3 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.076 0.129 25791 841 1 3 . 1 1 10 10 ALA C C 10 181.200 181.200 179.591 1.609 25791 842 1 3 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.814 0.198 25791 843 1 3 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.266 0.995 25791 844 1 3 . 1 1 10 10 ALA H H 10 7.438 7.438 7.677 -0.239 25791 845 1 3 . 1 1 11 11 LEU N N 11 120.775 120.775 118.694 2.081 25791 846 1 3 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.712 0.036 25791 847 1 3 . 1 1 11 11 LEU C C 11 179.041 179.041 179.217 -0.176 25791 848 1 3 . 1 1 11 11 LEU CA C 11 58.346 58.346 58.077 0.269 25791 849 1 3 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.170 -1.193 25791 850 1 3 . 1 1 11 11 LEU H H 11 8.757 8.757 8.574 0.183 25791 851 1 3 . 1 1 12 12 ASN N N 12 116.313 116.313 117.503 -1.190 25791 852 1 3 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.485 0.079 25791 853 1 3 . 1 1 12 12 ASN C C 12 178.900 178.900 176.852 2.048 25791 854 1 3 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.930 -1.865 25791 855 1 3 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.607 -1.614 25791 856 1 3 . 1 1 12 12 ASN H H 12 8.850 8.850 8.569 0.281 25791 857 1 3 . 1 1 13 13 SER N N 13 114.747 114.747 115.617 -0.870 25791 858 1 3 . 1 1 13 13 SER HA H 13 4.370 4.370 4.178 0.192 25791 859 1 3 . 1 1 13 13 SER C C 13 176.515 176.515 176.983 -0.468 25791 860 1 3 . 1 1 13 13 SER CA C 13 61.141 61.141 61.156 -0.015 25791 861 1 3 . 1 1 13 13 SER CB C 13 63.044 63.044 63.305 -0.261 25791 862 1 3 . 1 1 13 13 SER H H 13 7.672 7.672 7.808 -0.136 25791 863 1 3 . 1 1 14 14 GLN N N 14 119.954 119.954 118.408 1.546 25791 864 1 3 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.200 0.018 25791 865 1 3 . 1 1 14 14 GLN C C 14 178.208 178.208 177.101 1.107 25791 866 1 3 . 1 1 14 14 GLN CA C 14 57.749 57.749 57.814 -0.065 25791 867 1 3 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.740 -0.040 25791 868 1 3 . 1 1 14 14 GLN H H 14 7.573 7.573 7.856 -0.283 25791 869 1 3 . 1 1 15 15 THR N N 15 107.493 107.493 106.569 0.924 25791 870 1 3 . 1 1 15 15 THR HA H 15 3.899 3.899 4.447 -0.548 25791 871 1 3 . 1 1 15 15 THR C C 15 174.683 174.683 174.847 -0.164 25791 872 1 3 . 1 1 15 15 THR CA C 15 61.551 61.551 59.952 1.599 25791 873 1 3 . 1 1 15 15 THR CB C 15 69.226 69.226 69.522 -0.296 25791 874 1 3 . 1 1 15 15 THR H H 15 7.741 7.741 7.374 0.367 25791 875 1 3 . 1 1 16 16 ALA N N 16 124.034 124.034 126.164 -2.130 25791 876 1 3 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.036 0.099 25791 877 1 3 . 1 1 16 16 ALA C C 16 179.899 179.899 178.768 1.131 25791 878 1 3 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.718 0.489 25791 879 1 3 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.264 0.461 25791 880 1 3 . 1 1 16 16 ALA H H 16 6.873 6.873 7.337 -0.464 25791 881 1 3 . 1 1 17 17 VAL N N 17 117.150 117.150 117.876 -0.726 25791 882 1 3 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.730 -0.016 25791 883 1 3 . 1 1 17 17 VAL C C 17 178.537 178.537 177.333 1.204 25791 884 1 3 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.193 1.315 25791 885 1 3 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.769 -0.076 25791 886 1 3 . 1 1 17 17 VAL H H 17 8.162 8.162 8.438 -0.276 25791 887 1 3 . 1 1 18 18 GLN N N 18 119.489 119.489 119.316 0.173 25791 888 1 3 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.221 -0.164 25791 889 1 3 . 1 1 18 18 GLN C C 18 180.429 180.429 178.739 1.690 25791 890 1 3 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.034 0.665 25791 891 1 3 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.589 0.597 25791 892 1 3 . 1 1 18 18 GLN H H 18 8.451 8.451 7.953 0.498 25791 893 1 3 . 1 1 19 19 PHE N N 19 117.940 117.940 118.885 -0.945 25791 894 1 3 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.437 0.393 25791 895 1 3 . 1 1 19 19 PHE C C 19 177.858 177.858 178.325 -0.467 25791 896 1 3 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.773 -1.744 25791 897 1 3 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.130 -2.225 25791 898 1 3 . 1 1 19 19 PHE H H 19 8.924 8.924 8.757 0.167 25791 899 1 3 . 1 1 20 20 GLN N N 20 120.297 120.297 119.488 0.809 25791 900 1 3 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.969 0.137 25791 901 1 3 . 1 1 20 20 GLN C C 20 178.986 178.986 178.653 0.333 25791 902 1 3 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.761 -0.198 25791 903 1 3 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.531 -0.636 25791 904 1 3 . 1 1 20 20 GLN H H 20 8.264 8.264 8.097 0.167 25791 905 1 3 . 1 1 21 21 GLN N N 21 118.595 118.595 119.399 -0.804 25791 906 1 3 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.067 0.015 25791 907 1 3 . 1 1 21 21 GLN C C 21 178.806 178.806 178.569 0.237 25791 908 1 3 . 1 1 21 21 GLN CA C 21 59.170 59.170 59.002 0.168 25791 909 1 3 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.868 -0.672 25791 910 1 3 . 1 1 21 21 GLN H H 21 8.527 8.527 8.460 0.067 25791 911 1 3 . 1 1 22 22 TYR N N 22 119.594 119.594 121.319 -1.725 25791 912 1 3 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.114 0.133 25791 913 1 3 . 1 1 22 22 TYR C C 22 177.789 177.789 176.959 0.830 25791 914 1 3 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.802 0.910 25791 915 1 3 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.377 0.347 25791 916 1 3 . 1 1 22 22 TYR H H 22 7.843 7.843 8.296 -0.453 25791 917 1 3 . 1 1 23 23 ALA N N 23 120.663 120.663 121.368 -0.705 25791 918 1 3 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.732 0.125 25791 919 1 3 . 1 1 23 23 ALA C C 23 179.319 179.319 178.699 0.620 25791 920 1 3 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.962 0.627 25791 921 1 3 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.161 0.321 25791 922 1 3 . 1 1 23 23 ALA H H 23 8.612 8.612 8.580 0.032 25791 923 1 3 . 1 1 24 24 ALA N N 24 119.002 119.002 120.817 -1.815 25791 924 1 3 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.085 -0.147 25791 925 1 3 . 1 1 24 24 ALA C C 24 178.987 178.987 178.802 0.185 25791 926 1 3 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.352 -0.035 25791 927 1 3 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.795 -0.904 25791 928 1 3 . 1 1 24 24 ALA H H 24 8.168 8.168 8.046 0.122 25791 929 1 3 . 1 1 25 25 GLN N N 25 115.599 115.599 116.164 -0.565 25791 930 1 3 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.047 -0.043 25791 931 1 3 . 1 1 25 25 GLN C C 25 177.818 177.818 177.859 -0.041 25791 932 1 3 . 1 1 25 25 GLN CA C 25 57.454 57.454 57.717 -0.263 25791 933 1 3 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.739 -0.284 25791 934 1 3 . 1 1 25 25 GLN H H 25 7.300 7.300 7.663 -0.363 25791 935 1 3 . 1 1 26 26 GLN N N 26 116.989 116.989 117.766 -0.777 25791 936 1 3 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.843 -0.139 25791 937 1 3 . 1 1 26 26 GLN C C 26 175.979 175.979 175.893 0.086 25791 938 1 3 . 1 1 26 26 GLN CA C 26 56.788 56.788 57.004 -0.216 25791 939 1 3 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.614 -0.534 25791 940 1 3 . 1 1 26 26 GLN H H 26 7.401 7.401 7.401 0.000 25791 941 1 3 . 1 1 27 27 TYR N N 27 114.712 114.712 117.574 -2.862 25791 942 1 3 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.904 0.174 25791 943 1 3 . 1 1 27 27 TYR C C 27 172.931 172.931 173.731 -0.800 25791 944 1 3 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.455 0.712 25791 945 1 3 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.096 1.564 25791 946 1 3 . 1 1 27 27 TYR H H 27 7.675 7.675 8.004 -0.329 25791 947 1 3 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.328 0.034 25791 948 1 3 . 1 1 28 28 PRO C C 28 179.333 179.333 177.974 1.359 25791 949 1 3 . 1 1 28 28 PRO CA C 28 64.394 64.394 64.111 0.283 25791 950 1 3 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.370 -1.117 25791 951 1 3 . 1 1 29 29 GLY N N 29 110.091 110.091 112.135 -2.044 25791 952 1 3 . 1 1 29 29 GLY C C 29 173.218 173.218 174.719 -1.501 25791 953 1 3 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.214 0.698 25791 954 1 3 . 1 1 29 29 GLY H H 29 8.826 8.826 8.704 0.122 25791 955 1 3 . 1 1 30 30 ASN N N 30 118.603 118.603 121.857 -3.254 25791 956 1 3 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.901 0.098 25791 957 1 3 . 1 1 30 30 ASN C C 30 173.977 173.977 175.363 -1.386 25791 958 1 3 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.135 0.050 25791 959 1 3 . 1 1 30 30 ASN CB C 30 38.426 38.426 37.938 0.488 25791 960 1 3 . 1 1 30 30 ASN H H 30 7.293 7.293 7.707 -0.414 25791 961 1 3 . 1 1 31 31 TYR N N 31 125.240 125.240 128.073 -2.833 25791 962 1 3 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.116 -0.218 25791 963 1 3 . 1 1 31 31 TYR C C 31 177.343 177.343 176.880 0.463 25791 964 1 3 . 1 1 31 31 TYR CA C 31 61.811 61.811 61.900 -0.089 25791 965 1 3 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.617 -0.260 25791 966 1 3 . 1 1 31 31 TYR H H 31 8.509 8.509 8.265 0.244 25791 967 1 3 . 1 1 32 32 GLU N N 32 118.993 118.993 118.556 0.437 25791 968 1 3 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.789 0.111 25791 969 1 3 . 1 1 32 32 GLU C C 32 179.549 179.549 178.859 0.690 25791 970 1 3 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.630 0.481 25791 971 1 3 . 1 1 32 32 GLU CB C 32 29.168 29.168 29.266 -0.098 25791 972 1 3 . 1 1 32 32 GLU H H 32 8.714 8.714 8.268 0.446 25791 973 1 3 . 1 1 33 33 GLN N N 33 117.037 117.037 118.657 -1.620 25791 974 1 3 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.867 -0.134 25791 975 1 3 . 1 1 33 33 GLN C C 33 179.119 179.119 178.596 0.523 25791 976 1 3 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.251 -0.549 25791 977 1 3 . 1 1 33 33 GLN CB C 33 27.626 27.626 28.109 -0.483 25791 978 1 3 . 1 1 33 33 GLN H H 33 7.536 7.536 8.181 -0.645 25791 979 1 3 . 1 1 34 34 GLN N N 34 117.723 117.723 119.629 -1.906 25791 980 1 3 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.007 -0.196 25791 981 1 3 . 1 1 34 34 GLN C C 34 177.634 177.634 178.566 -0.932 25791 982 1 3 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.442 0.723 25791 983 1 3 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.517 -1.016 25791 984 1 3 . 1 1 34 34 GLN H H 34 7.968 7.968 8.298 -0.330 25791 985 1 3 . 1 1 35 35 GLN N N 35 115.293 115.293 118.661 -3.368 25791 986 1 3 . 1 1 35 35 GLN HA H 35 3.791 3.791 3.959 -0.168 25791 987 1 3 . 1 1 35 35 GLN C C 35 178.757 178.757 178.610 0.147 25791 988 1 3 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.429 0.180 25791 989 1 3 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.211 -0.006 25791 990 1 3 . 1 1 35 35 GLN H H 35 7.870 7.870 7.864 0.006 25791 991 1 3 . 1 1 36 36 ILE N N 36 120.769 120.769 120.611 0.158 25791 992 1 3 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.634 -0.070 25791 993 1 3 . 1 1 36 36 ILE C C 36 178.273 178.273 178.155 0.118 25791 994 1 3 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.245 -0.008 25791 995 1 3 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.677 0.696 25791 996 1 3 . 1 1 36 36 ILE H H 36 7.503 7.503 7.996 -0.493 25791 997 1 3 . 1 1 37 37 LEU N N 37 121.056 121.056 121.379 -0.323 25791 998 1 3 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.020 0.289 25791 999 1 3 . 1 1 37 37 LEU C C 37 178.348 178.348 178.231 0.117 25791 1000 1 3 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.974 -0.240 25791 1001 1 3 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.706 -0.190 25791 1002 1 3 . 1 1 37 37 LEU H H 37 7.678 7.678 8.140 -0.462 25791 1003 1 3 . 1 1 38 38 ILE N N 38 119.334 119.334 119.707 -0.373 25791 1004 1 3 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.448 -0.107 25791 1005 1 3 . 1 1 38 38 ILE C C 38 177.371 177.371 177.979 -0.608 25791 1006 1 3 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.703 1.382 25791 1007 1 3 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.562 0.787 25791 1008 1 3 . 1 1 38 38 ILE H H 38 8.702 8.702 8.165 0.537 25791 1009 1 3 . 1 1 39 39 ARG N N 39 117.798 117.798 119.928 -2.130 25791 1010 1 3 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.299 -0.084 25791 1011 1 3 . 1 1 39 39 ARG C C 39 179.555 179.555 179.284 0.271 25791 1012 1 3 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.468 -0.009 25791 1013 1 3 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.968 -0.216 25791 1014 1 3 . 1 1 39 39 ARG H H 39 7.739 7.739 8.348 -0.609 25791 1015 1 3 . 1 1 40 40 GLN N N 40 119.432 119.432 118.559 0.873 25791 1016 1 3 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.098 0.039 25791 1017 1 3 . 1 1 40 40 GLN C C 40 179.522 179.522 178.411 1.111 25791 1018 1 3 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.490 0.770 25791 1019 1 3 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.398 -0.040 25791 1020 1 3 . 1 1 40 40 GLN H H 40 7.811 7.811 7.837 -0.026 25791 1021 1 3 . 1 1 41 41 LEU N N 41 121.592 121.592 120.748 0.844 25791 1022 1 3 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.804 -0.117 25791 1023 1 3 . 1 1 41 41 LEU C C 41 178.974 178.974 179.033 -0.059 25791 1024 1 3 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.416 0.547 25791 1025 1 3 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.785 -0.933 25791 1026 1 3 . 1 1 41 41 LEU H H 41 8.648 8.648 8.155 0.493 25791 1027 1 3 . 1 1 42 42 GLN N N 42 119.054 119.054 118.770 0.284 25791 1028 1 3 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.272 0.272 25791 1029 1 3 . 1 1 42 42 GLN C C 42 180.176 180.176 178.837 1.339 25791 1030 1 3 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.618 -0.384 25791 1031 1 3 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.693 -0.773 25791 1032 1 3 . 1 1 42 42 GLN H H 42 8.641 8.641 8.594 0.047 25791 1033 1 3 . 1 1 43 43 GLU N N 43 121.517 121.517 120.725 0.792 25791 1034 1 3 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.097 0.139 25791 1035 1 3 . 1 1 43 43 GLU C C 43 179.721 179.721 178.961 0.760 25791 1036 1 3 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.468 0.199 25791 1037 1 3 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.509 -0.251 25791 1038 1 3 . 1 1 43 43 GLU H H 43 8.111 8.111 7.836 0.275 25791 1039 1 3 . 1 1 44 44 GLN N N 44 119.240 119.240 118.832 0.408 25791 1040 1 3 . 1 1 44 44 GLN HA H 44 4.116 4.116 3.969 0.147 25791 1041 1 3 . 1 1 44 44 GLN C C 44 179.012 179.012 178.101 0.911 25791 1042 1 3 . 1 1 44 44 GLN CA C 44 59.149 59.149 59.320 -0.171 25791 1043 1 3 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.883 -0.029 25791 1044 1 3 . 1 1 44 44 GLN H H 44 8.372 8.372 8.032 0.340 25791 1045 1 3 . 1 1 45 45 HIS N N 45 121.705 121.705 120.576 1.129 25791 1046 1 3 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.264 0.016 25791 1047 1 3 . 1 1 45 45 HIS C C 45 176.395 176.395 177.194 -0.799 25791 1048 1 3 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.094 1.265 25791 1049 1 3 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.559 1.766 25791 1050 1 3 . 1 1 45 45 HIS H H 45 9.472 9.472 8.489 0.983 25791 1051 1 3 . 1 1 46 46 TYR N N 46 119.039 119.039 120.192 -1.153 25791 1052 1 3 . 1 1 46 46 TYR HA H 46 3.849 3.849 3.978 -0.129 25791 1053 1 3 . 1 1 46 46 TYR C C 46 176.664 176.664 178.066 -1.402 25791 1054 1 3 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.972 0.279 25791 1055 1 3 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.319 -0.647 25791 1056 1 3 . 1 1 46 46 TYR H H 46 8.253 8.253 8.226 0.027 25791 1057 1 3 . 1 1 47 47 GLN N N 47 116.407 116.407 117.742 -1.335 25791 1058 1 3 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.745 0.039 25791 1059 1 3 . 1 1 47 47 GLN C C 47 179.048 179.048 178.273 0.775 25791 1060 1 3 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.147 -0.198 25791 1061 1 3 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.525 -0.344 25791 1062 1 3 . 1 1 47 47 GLN H H 47 7.814 7.814 8.181 -0.367 25791 1063 1 3 . 1 1 48 48 GLN N N 48 119.803 119.803 119.949 -0.146 25791 1064 1 3 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.067 -0.090 25791 1065 1 3 . 1 1 48 48 GLN C C 48 177.741 177.741 178.208 -0.467 25791 1066 1 3 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.387 -0.073 25791 1067 1 3 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.303 0.025 25791 1068 1 3 . 1 1 48 48 GLN H H 48 8.645 8.645 8.312 0.333 25791 1069 1 3 . 1 1 49 49 TYR N N 49 121.342 121.342 121.744 -0.402 25791 1070 1 3 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.190 -0.550 25791 1071 1 3 . 1 1 49 49 TYR C C 49 176.021 176.021 177.320 -1.299 25791 1072 1 3 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.714 0.395 25791 1073 1 3 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.213 0.694 25791 1074 1 3 . 1 1 49 49 TYR H H 49 9.105 9.105 8.821 0.284 25791 1075 1 3 . 1 1 50 50 MET N N 50 115.522 115.522 118.573 -3.051 25791 1076 1 3 . 1 1 50 50 MET HA H 50 4.040 4.040 3.768 0.272 25791 1077 1 3 . 1 1 50 50 MET C C 50 179.841 179.841 178.380 1.461 25791 1078 1 3 . 1 1 50 50 MET CA C 50 56.623 56.623 56.841 -0.218 25791 1079 1 3 . 1 1 50 50 MET CB C 50 30.099 30.099 31.663 -1.564 25791 1080 1 3 . 1 1 50 50 MET H H 50 8.060 8.060 8.268 -0.208 25791 1081 1 3 . 1 1 51 51 GLN N N 51 118.942 118.942 118.292 0.650 25791 1082 1 3 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.938 0.127 25791 1083 1 3 . 1 1 51 51 GLN C C 51 178.707 178.707 178.510 0.197 25791 1084 1 3 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.139 -0.198 25791 1085 1 3 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.504 -0.015 25791 1086 1 3 . 1 1 51 51 GLN H H 51 7.830 7.830 8.256 -0.426 25791 1087 1 3 . 1 1 52 52 GLN N N 52 119.210 119.210 120.184 -0.974 25791 1088 1 3 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.044 0.013 25791 1089 1 3 . 1 1 52 52 GLN C C 52 178.738 178.738 178.485 0.253 25791 1090 1 3 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.721 0.028 25791 1091 1 3 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.900 -0.497 25791 1092 1 3 . 1 1 52 52 GLN H H 52 8.187 8.187 8.266 -0.079 25791 1093 1 3 . 1 1 53 53 LEU N N 53 121.233 121.233 121.073 0.160 25791 1094 1 3 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.814 0.027 25791 1095 1 3 . 1 1 53 53 LEU C C 53 179.191 179.191 177.985 1.206 25791 1096 1 3 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.610 0.135 25791 1097 1 3 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.216 0.650 25791 1098 1 3 . 1 1 53 53 LEU H H 53 8.441 8.441 8.158 0.283 25791 1099 1 3 . 1 1 54 54 TYR N N 54 118.505 118.505 119.425 -0.920 25791 1100 1 3 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.906 0.412 25791 1101 1 3 . 1 1 54 54 TYR C C 54 177.535 177.535 177.355 0.180 25791 1102 1 3 . 1 1 54 54 TYR CA C 54 60.477 60.477 61.725 -1.248 25791 1103 1 3 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.044 -0.258 25791 1104 1 3 . 1 1 54 54 TYR H H 54 7.819 7.819 8.320 -0.501 25791 1105 1 3 . 1 1 55 55 GLN N N 55 117.299 117.299 117.708 -0.409 25791 1106 1 3 . 1 1 55 55 GLN HA H 55 3.899 3.899 3.506 0.393 25791 1107 1 3 . 1 1 55 55 GLN C C 55 179.041 179.041 178.274 0.767 25791 1108 1 3 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.697 0.013 25791 1109 1 3 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.551 -0.336 25791 1110 1 3 . 1 1 55 55 GLN H H 55 7.735 7.735 7.583 0.152 25791 1111 1 3 . 1 1 56 56 VAL N N 56 120.879 120.879 120.198 0.681 25791 1112 1 3 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.551 0.241 25791 1113 1 3 . 1 1 56 56 VAL C C 56 178.262 178.262 177.836 0.426 25791 1114 1 3 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.612 -0.670 25791 1115 1 3 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.491 0.388 25791 1116 1 3 . 1 1 56 56 VAL H H 56 8.014 8.014 7.615 0.399 25791 1117 1 3 . 1 1 57 57 GLN N N 57 120.513 120.513 119.375 1.138 25791 1118 1 3 . 1 1 57 57 GLN HA H 57 4.060 4.060 4.038 0.022 25791 1119 1 3 . 1 1 57 57 GLN C C 57 178.772 178.772 178.431 0.341 25791 1120 1 3 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.285 0.331 25791 1121 1 3 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.875 0.111 25791 1122 1 3 . 1 1 57 57 GLN H H 57 8.103 8.103 8.237 -0.134 25791 1123 1 3 . 1 1 58 58 LEU N N 58 121.244 121.244 121.427 -0.183 25791 1124 1 3 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.968 0.037 25791 1125 1 3 . 1 1 58 58 LEU C C 58 179.134 179.134 178.283 0.851 25791 1126 1 3 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.171 0.335 25791 1127 1 3 . 1 1 58 58 LEU CB C 58 41.803 41.803 40.757 1.046 25791 1128 1 3 . 1 1 58 58 LEU H H 58 8.176 8.176 8.142 0.034 25791 1129 1 3 . 1 1 59 59 ALA N N 59 121.608 121.608 121.338 0.270 25791 1130 1 3 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.914 0.251 25791 1131 1 3 . 1 1 59 59 ALA C C 59 180.497 180.497 179.917 0.580 25791 1132 1 3 . 1 1 59 59 ALA CA C 59 54.582 54.582 54.892 -0.309 25791 1133 1 3 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.311 -0.258 25791 1134 1 3 . 1 1 59 59 ALA H H 59 7.833 7.833 8.091 -0.258 25791 1135 1 3 . 1 1 60 60 GLN N N 60 118.335 118.335 117.041 1.294 25791 1136 1 3 . 1 1 60 60 GLN HA H 60 4.148 4.148 4.009 0.139 25791 1137 1 3 . 1 1 60 60 GLN C C 60 178.334 178.334 178.461 -0.127 25791 1138 1 3 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.212 -0.235 25791 1139 1 3 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.186 0.249 25791 1140 1 3 . 1 1 60 60 GLN H H 60 8.081 8.081 7.756 0.325 25791 1141 1 3 . 1 1 61 61 GLN N N 61 120.206 120.206 120.583 -0.377 25791 1142 1 3 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.933 0.229 25791 1143 1 3 . 1 1 61 61 GLN C C 61 178.002 178.002 178.370 -0.368 25791 1144 1 3 . 1 1 61 61 GLN CA C 61 57.905 57.905 59.023 -1.119 25791 1145 1 3 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.561 0.018 25791 1146 1 3 . 1 1 61 61 GLN H H 61 8.111 8.111 8.215 -0.104 25791 1147 1 3 . 1 1 62 62 GLN N N 62 118.980 118.980 118.536 0.444 25791 1148 1 3 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.024 0.105 25791 1149 1 3 . 1 1 62 62 GLN C C 62 177.624 177.624 178.371 -0.747 25791 1150 1 3 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.613 -0.977 25791 1151 1 3 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.519 0.117 25791 1152 1 3 . 1 1 62 62 GLN H H 62 8.203 8.203 8.527 -0.324 25791 1153 1 3 . 1 1 63 63 ALA N N 63 122.712 122.712 121.913 0.799 25791 1154 1 3 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.152 0.054 25791 1155 1 3 . 1 1 63 63 ALA C C 63 178.922 178.922 178.818 0.104 25791 1156 1 3 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.388 -0.492 25791 1157 1 3 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.233 0.226 25791 1158 1 3 . 1 1 63 63 ALA H H 63 8.004 8.004 7.579 0.425 25791 1159 1 3 . 1 1 64 64 ALA N N 64 120.813 120.813 120.491 0.322 25791 1160 1 3 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.143 0.089 25791 1161 1 3 . 1 1 64 64 ALA C C 64 178.732 178.732 178.765 -0.033 25791 1162 1 3 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.194 -0.678 25791 1163 1 3 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.226 -0.596 25791 1164 1 3 . 1 1 64 64 ALA H H 64 7.837 7.837 7.733 0.104 25791 1165 1 3 . 1 1 65 65 LEU N N 65 119.196 119.196 118.704 0.492 25791 1166 1 3 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.311 -0.054 25791 1167 1 3 . 1 1 65 65 LEU C C 65 178.038 178.038 177.781 0.257 25791 1168 1 3 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.037 -0.215 25791 1169 1 3 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.378 -0.114 25791 1170 1 3 . 1 1 65 65 LEU H H 65 7.765 7.765 8.068 -0.303 25791 1171 1 3 . 1 1 66 66 GLN N N 66 119.365 119.365 115.442 3.923 25791 1172 1 3 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.901 0.374 25791 1173 1 3 . 1 1 66 66 GLN C C 66 176.120 176.120 175.424 0.696 25791 1174 1 3 . 1 1 66 66 GLN CA C 66 56.067 56.067 56.964 -0.897 25791 1175 1 3 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.576 2.555 25791 1176 1 3 . 1 1 66 66 GLN H H 66 7.967 7.967 8.271 -0.304 25791 1177 1 3 . 1 1 67 67 LYS N N 67 121.521 121.521 117.386 4.135 25791 1178 1 3 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.386 -0.077 25791 1179 1 3 . 1 1 67 67 LYS C C 67 176.437 176.437 174.875 1.562 25791 1180 1 3 . 1 1 67 67 LYS CA C 67 56.389 56.389 56.085 0.304 25791 1181 1 3 . 1 1 67 67 LYS CB C 67 33.041 33.041 33.228 -0.187 25791 1182 1 3 . 1 1 67 67 LYS H H 67 8.053 8.053 8.203 -0.150 25791 1183 1 3 . 1 1 68 68 GLN N N 68 121.970 121.970 117.494 4.476 25791 1184 1 3 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.522 -0.183 25791 1185 1 3 . 1 1 68 68 GLN C C 68 175.120 175.120 175.796 -0.676 25791 1186 1 3 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.028 0.973 25791 1187 1 3 . 1 1 68 68 GLN CB C 68 29.498 29.498 29.060 0.438 25791 1188 1 3 . 1 1 68 68 GLN H H 68 8.314 8.314 8.015 0.299 25791 1189 1 4 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.109 0.338 25791 1190 1 4 . 1 1 2 2 GLN C C 2 176.144 176.144 176.293 -0.149 25791 1191 1 4 . 1 1 2 2 GLN CA C 2 56.209 56.209 56.141 0.068 25791 1192 1 4 . 1 1 2 2 GLN CB C 2 29.459 29.459 28.660 0.799 25791 1193 1 4 . 1 1 3 3 GLN N N 3 122.052 122.052 124.101 -2.049 25791 1194 1 4 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.031 0.292 25791 1195 1 4 . 1 1 3 3 GLN C C 3 176.988 176.988 177.604 -0.616 25791 1196 1 4 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.117 -0.714 25791 1197 1 4 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.579 0.660 25791 1198 1 4 . 1 1 3 3 GLN H H 3 8.780 8.780 8.709 0.071 25791 1199 1 4 . 1 1 4 4 LYS N N 4 121.855 121.855 119.577 2.278 25791 1200 1 4 . 1 1 4 4 LYS HA H 4 4.004 4.004 3.961 0.043 25791 1201 1 4 . 1 1 4 4 LYS C C 4 177.638 177.638 178.440 -0.802 25791 1202 1 4 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.370 0.869 25791 1203 1 4 . 1 1 4 4 LYS CB C 4 32.699 32.699 31.941 0.758 25791 1204 1 4 . 1 1 4 4 LYS H H 4 8.528 8.528 8.395 0.133 25791 1205 1 4 . 1 1 5 5 GLN N N 5 116.397 116.397 117.416 -1.019 25791 1206 1 4 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.951 -0.010 25791 1207 1 4 . 1 1 5 5 GLN C C 5 178.761 178.761 178.328 0.433 25791 1208 1 4 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.644 0.705 25791 1209 1 4 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.049 -0.099 25791 1210 1 4 . 1 1 5 5 GLN H H 5 8.223 8.223 7.916 0.307 25791 1211 1 4 . 1 1 6 6 GLN N N 6 119.262 119.262 118.545 0.717 25791 1212 1 4 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.114 0.014 25791 1213 1 4 . 1 1 6 6 GLN C C 6 179.018 179.018 178.200 0.818 25791 1214 1 4 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.836 0.253 25791 1215 1 4 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.023 0.688 25791 1216 1 4 . 1 1 6 6 GLN H H 6 7.848 7.848 7.828 0.020 25791 1217 1 4 . 1 1 7 7 ILE N N 7 121.296 121.296 121.725 -0.429 25791 1218 1 4 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.854 -0.271 25791 1219 1 4 . 1 1 7 7 ILE C C 7 177.833 177.833 178.191 -0.358 25791 1220 1 4 . 1 1 7 7 ILE CA C 7 65.129 65.129 63.221 1.908 25791 1221 1 4 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.066 1.140 25791 1222 1 4 . 1 1 7 7 ILE H H 7 8.095 8.095 7.232 0.863 25791 1223 1 4 . 1 1 8 8 MET N N 8 117.603 117.603 119.045 -1.442 25791 1224 1 4 . 1 1 8 8 MET HA H 8 3.985 3.985 3.989 -0.004 25791 1225 1 4 . 1 1 8 8 MET C C 8 177.355 177.355 178.839 -1.484 25791 1226 1 4 . 1 1 8 8 MET CA C 8 59.932 59.932 59.675 0.257 25791 1227 1 4 . 1 1 8 8 MET CB C 8 32.721 32.721 31.970 0.752 25791 1228 1 4 . 1 1 8 8 MET H H 8 8.672 8.672 8.244 0.428 25791 1229 1 4 . 1 1 9 9 ALA N N 9 118.774 118.774 121.438 -2.664 25791 1230 1 4 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.025 0.021 25791 1231 1 4 . 1 1 9 9 ALA C C 9 180.546 180.546 179.313 1.233 25791 1232 1 4 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.131 0.254 25791 1233 1 4 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.931 -0.033 25791 1234 1 4 . 1 1 9 9 ALA H H 9 7.795 7.795 8.343 -0.548 25791 1235 1 4 . 1 1 10 10 ALA N N 10 120.854 120.854 121.449 -0.595 25791 1236 1 4 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.103 0.102 25791 1237 1 4 . 1 1 10 10 ALA C C 10 181.200 181.200 179.598 1.602 25791 1238 1 4 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.790 0.222 25791 1239 1 4 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.299 0.962 25791 1240 1 4 . 1 1 10 10 ALA H H 10 7.438 7.438 7.629 -0.191 25791 1241 1 4 . 1 1 11 11 LEU N N 11 120.775 120.775 118.740 2.035 25791 1242 1 4 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.746 0.002 25791 1243 1 4 . 1 1 11 11 LEU C C 11 179.041 179.041 179.117 -0.076 25791 1244 1 4 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.852 0.494 25791 1245 1 4 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.272 -1.295 25791 1246 1 4 . 1 1 11 11 LEU H H 11 8.757 8.757 8.523 0.234 25791 1247 1 4 . 1 1 12 12 ASN N N 12 116.313 116.313 117.063 -0.750 25791 1248 1 4 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.450 0.114 25791 1249 1 4 . 1 1 12 12 ASN C C 12 178.900 178.900 176.646 2.254 25791 1250 1 4 . 1 1 12 12 ASN CA C 12 54.065 54.065 56.285 -2.220 25791 1251 1 4 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.708 -1.714 25791 1252 1 4 . 1 1 12 12 ASN H H 12 8.850 8.850 8.316 0.534 25791 1253 1 4 . 1 1 13 13 SER N N 13 114.747 114.747 115.271 -0.524 25791 1254 1 4 . 1 1 13 13 SER HA H 13 4.370 4.370 4.174 0.196 25791 1255 1 4 . 1 1 13 13 SER C C 13 176.515 176.515 177.085 -0.570 25791 1256 1 4 . 1 1 13 13 SER CA C 13 61.141 61.141 61.212 -0.071 25791 1257 1 4 . 1 1 13 13 SER CB C 13 63.044 63.044 63.308 -0.264 25791 1258 1 4 . 1 1 13 13 SER H H 13 7.672 7.672 7.662 0.010 25791 1259 1 4 . 1 1 14 14 GLN N N 14 119.954 119.954 118.375 1.579 25791 1260 1 4 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.159 0.059 25791 1261 1 4 . 1 1 14 14 GLN C C 14 178.208 178.208 177.281 0.927 25791 1262 1 4 . 1 1 14 14 GLN CA C 14 57.749 57.749 57.986 -0.237 25791 1263 1 4 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.824 -0.124 25791 1264 1 4 . 1 1 14 14 GLN H H 14 7.573 7.573 7.804 -0.231 25791 1265 1 4 . 1 1 15 15 THR N N 15 107.493 107.493 107.709 -0.216 25791 1266 1 4 . 1 1 15 15 THR HA H 15 3.899 3.899 4.358 -0.459 25791 1267 1 4 . 1 1 15 15 THR C C 15 174.683 174.683 174.473 0.210 25791 1268 1 4 . 1 1 15 15 THR CA C 15 61.551 61.551 60.118 1.433 25791 1269 1 4 . 1 1 15 15 THR CB C 15 69.226 69.226 69.049 0.176 25791 1270 1 4 . 1 1 15 15 THR H H 15 7.741 7.741 7.466 0.275 25791 1271 1 4 . 1 1 16 16 ALA N N 16 124.034 124.034 126.124 -2.090 25791 1272 1 4 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.025 0.110 25791 1273 1 4 . 1 1 16 16 ALA C C 16 179.899 179.899 178.448 1.451 25791 1274 1 4 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.877 0.330 25791 1275 1 4 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.190 0.534 25791 1276 1 4 . 1 1 16 16 ALA H H 16 6.873 6.873 7.365 -0.492 25791 1277 1 4 . 1 1 17 17 VAL N N 17 117.150 117.150 117.920 -0.770 25791 1278 1 4 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.775 -0.061 25791 1279 1 4 . 1 1 17 17 VAL C C 17 178.537 178.537 177.444 1.093 25791 1280 1 4 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.159 1.349 25791 1281 1 4 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.308 0.385 25791 1282 1 4 . 1 1 17 17 VAL H H 17 8.162 8.162 8.447 -0.285 25791 1283 1 4 . 1 1 18 18 GLN N N 18 119.489 119.489 119.599 -0.110 25791 1284 1 4 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.033 0.024 25791 1285 1 4 . 1 1 18 18 GLN C C 18 180.429 180.429 178.930 1.499 25791 1286 1 4 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.337 0.362 25791 1287 1 4 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.445 0.741 25791 1288 1 4 . 1 1 18 18 GLN H H 18 8.451 8.451 8.002 0.449 25791 1289 1 4 . 1 1 19 19 PHE N N 19 117.940 117.940 118.852 -0.912 25791 1290 1 4 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.450 0.380 25791 1291 1 4 . 1 1 19 19 PHE C C 19 177.858 177.858 178.278 -0.420 25791 1292 1 4 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.562 -1.533 25791 1293 1 4 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.166 -2.261 25791 1294 1 4 . 1 1 19 19 PHE H H 19 8.924 8.924 8.683 0.241 25791 1295 1 4 . 1 1 20 20 GLN N N 20 120.297 120.297 119.347 0.950 25791 1296 1 4 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.975 0.131 25791 1297 1 4 . 1 1 20 20 GLN C C 20 178.986 178.986 178.683 0.303 25791 1298 1 4 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.608 -0.045 25791 1299 1 4 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.550 -0.655 25791 1300 1 4 . 1 1 20 20 GLN H H 20 8.264 8.264 8.179 0.085 25791 1301 1 4 . 1 1 21 21 GLN N N 21 118.595 118.595 119.067 -0.472 25791 1302 1 4 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.099 -0.017 25791 1303 1 4 . 1 1 21 21 GLN C C 21 178.806 178.806 178.602 0.204 25791 1304 1 4 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.738 0.432 25791 1305 1 4 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.527 -0.331 25791 1306 1 4 . 1 1 21 21 GLN H H 21 8.527 8.527 8.420 0.107 25791 1307 1 4 . 1 1 22 22 TYR N N 22 119.594 119.594 121.765 -2.171 25791 1308 1 4 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.293 -0.046 25791 1309 1 4 . 1 1 22 22 TYR C C 22 177.789 177.789 177.469 0.320 25791 1310 1 4 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.275 1.437 25791 1311 1 4 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.382 0.342 25791 1312 1 4 . 1 1 22 22 TYR H H 22 7.843 7.843 8.016 -0.173 25791 1313 1 4 . 1 1 23 23 ALA N N 23 120.663 120.663 121.361 -0.698 25791 1314 1 4 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.776 0.081 25791 1315 1 4 . 1 1 23 23 ALA C C 23 179.319 179.319 178.772 0.547 25791 1316 1 4 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.904 0.685 25791 1317 1 4 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.173 0.309 25791 1318 1 4 . 1 1 23 23 ALA H H 23 8.612 8.612 8.697 -0.085 25791 1319 1 4 . 1 1 24 24 ALA N N 24 119.002 119.002 121.040 -2.038 25791 1320 1 4 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.092 -0.154 25791 1321 1 4 . 1 1 24 24 ALA C C 24 178.987 178.987 178.850 0.137 25791 1322 1 4 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.222 0.095 25791 1323 1 4 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.410 -0.519 25791 1324 1 4 . 1 1 24 24 ALA H H 24 8.168 8.168 8.073 0.095 25791 1325 1 4 . 1 1 25 25 GLN N N 25 115.599 115.599 116.830 -1.231 25791 1326 1 4 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.024 -0.020 25791 1327 1 4 . 1 1 25 25 GLN C C 25 177.818 177.818 178.255 -0.437 25791 1328 1 4 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.184 -0.730 25791 1329 1 4 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.946 -0.491 25791 1330 1 4 . 1 1 25 25 GLN H H 25 7.300 7.300 7.606 -0.306 25791 1331 1 4 . 1 1 26 26 GLN N N 26 116.989 116.989 116.388 0.601 25791 1332 1 4 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.839 -0.135 25791 1333 1 4 . 1 1 26 26 GLN C C 26 175.979 175.979 175.950 0.029 25791 1334 1 4 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.992 -0.204 25791 1335 1 4 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.700 -0.620 25791 1336 1 4 . 1 1 26 26 GLN H H 26 7.401 7.401 7.349 0.052 25791 1337 1 4 . 1 1 27 27 TYR N N 27 114.712 114.712 117.880 -3.168 25791 1338 1 4 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.881 0.197 25791 1339 1 4 . 1 1 27 27 TYR C C 27 172.931 172.931 173.650 -0.719 25791 1340 1 4 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.714 0.453 25791 1341 1 4 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.333 1.327 25791 1342 1 4 . 1 1 27 27 TYR H H 27 7.675 7.675 8.045 -0.370 25791 1343 1 4 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.364 -0.002 25791 1344 1 4 . 1 1 28 28 PRO C C 28 179.333 179.333 178.118 1.215 25791 1345 1 4 . 1 1 28 28 PRO CA C 28 64.394 64.394 63.739 0.655 25791 1346 1 4 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.282 -1.028 25791 1347 1 4 . 1 1 29 29 GLY N N 29 110.091 110.091 112.866 -2.775 25791 1348 1 4 . 1 1 29 29 GLY C C 29 173.218 173.218 174.460 -1.242 25791 1349 1 4 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.666 0.246 25791 1350 1 4 . 1 1 29 29 GLY H H 29 8.826 8.826 8.775 0.051 25791 1351 1 4 . 1 1 30 30 ASN N N 30 118.603 118.603 121.193 -2.590 25791 1352 1 4 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.922 0.077 25791 1353 1 4 . 1 1 30 30 ASN C C 30 173.977 173.977 175.112 -1.135 25791 1354 1 4 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.939 -0.754 25791 1355 1 4 . 1 1 30 30 ASN CB C 30 38.426 38.426 37.401 1.025 25791 1356 1 4 . 1 1 30 30 ASN H H 30 7.293 7.293 7.538 -0.245 25791 1357 1 4 . 1 1 31 31 TYR N N 31 125.240 125.240 126.951 -1.711 25791 1358 1 4 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.063 -0.165 25791 1359 1 4 . 1 1 31 31 TYR C C 31 177.343 177.343 176.851 0.492 25791 1360 1 4 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.748 -0.937 25791 1361 1 4 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.788 -0.431 25791 1362 1 4 . 1 1 31 31 TYR H H 31 8.509 8.509 7.917 0.592 25791 1363 1 4 . 1 1 32 32 GLU N N 32 118.993 118.993 118.077 0.916 25791 1364 1 4 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.844 0.056 25791 1365 1 4 . 1 1 32 32 GLU C C 32 179.549 179.549 178.708 0.841 25791 1366 1 4 . 1 1 32 32 GLU CA C 32 60.112 60.112 60.084 0.028 25791 1367 1 4 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.875 0.293 25791 1368 1 4 . 1 1 32 32 GLU H H 32 8.714 8.714 8.752 -0.038 25791 1369 1 4 . 1 1 33 33 GLN N N 33 117.037 117.037 117.890 -0.853 25791 1370 1 4 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.822 -0.089 25791 1371 1 4 . 1 1 33 33 GLN C C 33 179.119 179.119 178.552 0.567 25791 1372 1 4 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.423 -0.721 25791 1373 1 4 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.694 -0.068 25791 1374 1 4 . 1 1 33 33 GLN H H 33 7.536 7.536 8.329 -0.793 25791 1375 1 4 . 1 1 34 34 GLN N N 34 117.723 117.723 119.730 -2.007 25791 1376 1 4 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.008 -0.197 25791 1377 1 4 . 1 1 34 34 GLN C C 34 177.634 177.634 178.526 -0.892 25791 1378 1 4 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.344 0.821 25791 1379 1 4 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.536 -1.035 25791 1380 1 4 . 1 1 34 34 GLN H H 34 7.968 7.968 8.349 -0.381 25791 1381 1 4 . 1 1 35 35 GLN N N 35 115.293 115.293 118.848 -3.555 25791 1382 1 4 . 1 1 35 35 GLN HA H 35 3.791 3.791 3.934 -0.143 25791 1383 1 4 . 1 1 35 35 GLN C C 35 178.757 178.757 178.592 0.165 25791 1384 1 4 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.425 0.185 25791 1385 1 4 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.186 0.020 25791 1386 1 4 . 1 1 35 35 GLN H H 35 7.870 7.870 7.916 -0.046 25791 1387 1 4 . 1 1 36 36 ILE N N 36 120.769 120.769 120.390 0.379 25791 1388 1 4 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.616 -0.052 25791 1389 1 4 . 1 1 36 36 ILE C C 36 178.273 178.273 178.202 0.071 25791 1390 1 4 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.164 0.072 25791 1391 1 4 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.622 0.751 25791 1392 1 4 . 1 1 36 36 ILE H H 36 7.503 7.503 8.141 -0.638 25791 1393 1 4 . 1 1 37 37 LEU N N 37 121.056 121.056 121.194 -0.138 25791 1394 1 4 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.041 0.268 25791 1395 1 4 . 1 1 37 37 LEU C C 37 178.348 178.348 178.191 0.157 25791 1396 1 4 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.756 -0.022 25791 1397 1 4 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.761 -0.245 25791 1398 1 4 . 1 1 37 37 LEU H H 37 7.678 7.678 7.647 0.031 25791 1399 1 4 . 1 1 38 38 ILE N N 38 119.334 119.334 119.810 -0.476 25791 1400 1 4 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.407 -0.066 25791 1401 1 4 . 1 1 38 38 ILE C C 38 177.371 177.371 177.922 -0.551 25791 1402 1 4 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.664 1.421 25791 1403 1 4 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.517 0.832 25791 1404 1 4 . 1 1 38 38 ILE H H 38 8.702 8.702 8.344 0.358 25791 1405 1 4 . 1 1 39 39 ARG N N 39 117.798 117.798 119.513 -1.715 25791 1406 1 4 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.262 -0.047 25791 1407 1 4 . 1 1 39 39 ARG C C 39 179.555 179.555 178.995 0.560 25791 1408 1 4 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.828 -0.369 25791 1409 1 4 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.896 -0.144 25791 1410 1 4 . 1 1 39 39 ARG H H 39 7.739 7.739 8.314 -0.575 25791 1411 1 4 . 1 1 40 40 GLN N N 40 119.432 119.432 117.876 1.556 25791 1412 1 4 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.095 0.042 25791 1413 1 4 . 1 1 40 40 GLN C C 40 179.522 179.522 178.381 1.141 25791 1414 1 4 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.429 0.831 25791 1415 1 4 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.050 0.308 25791 1416 1 4 . 1 1 40 40 GLN H H 40 7.811 7.811 7.500 0.311 25791 1417 1 4 . 1 1 41 41 LEU N N 41 121.592 121.592 120.112 1.480 25791 1418 1 4 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.684 0.003 25791 1419 1 4 . 1 1 41 41 LEU C C 41 178.974 178.974 179.016 -0.042 25791 1420 1 4 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.437 0.526 25791 1421 1 4 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.627 -0.775 25791 1422 1 4 . 1 1 41 41 LEU H H 41 8.648 8.648 7.911 0.737 25791 1423 1 4 . 1 1 42 42 GLN N N 42 119.054 119.054 118.741 0.313 25791 1424 1 4 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.280 0.264 25791 1425 1 4 . 1 1 42 42 GLN C C 42 180.176 180.176 178.794 1.382 25791 1426 1 4 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.614 -0.380 25791 1427 1 4 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.771 -0.852 25791 1428 1 4 . 1 1 42 42 GLN H H 42 8.641 8.641 8.496 0.145 25791 1429 1 4 . 1 1 43 43 GLU N N 43 121.517 121.517 120.697 0.820 25791 1430 1 4 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.111 0.125 25791 1431 1 4 . 1 1 43 43 GLU C C 43 179.721 179.721 178.940 0.781 25791 1432 1 4 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.603 0.064 25791 1433 1 4 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.492 -0.234 25791 1434 1 4 . 1 1 43 43 GLU H H 43 8.111 8.111 7.877 0.234 25791 1435 1 4 . 1 1 44 44 GLN N N 44 119.240 119.240 118.661 0.579 25791 1436 1 4 . 1 1 44 44 GLN HA H 44 4.116 4.116 3.990 0.126 25791 1437 1 4 . 1 1 44 44 GLN C C 44 179.012 179.012 178.378 0.634 25791 1438 1 4 . 1 1 44 44 GLN CA C 44 59.149 59.149 59.299 -0.150 25791 1439 1 4 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.707 0.147 25791 1440 1 4 . 1 1 44 44 GLN H H 44 8.372 8.372 8.053 0.319 25791 1441 1 4 . 1 1 45 45 HIS N N 45 121.705 121.705 120.445 1.260 25791 1442 1 4 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.297 -0.017 25791 1443 1 4 . 1 1 45 45 HIS C C 45 176.395 176.395 177.390 -0.995 25791 1444 1 4 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.037 1.322 25791 1445 1 4 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.584 1.742 25791 1446 1 4 . 1 1 45 45 HIS H H 45 9.472 9.472 8.349 1.123 25791 1447 1 4 . 1 1 46 46 TYR N N 46 119.039 119.039 120.779 -1.740 25791 1448 1 4 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.087 -0.238 25791 1449 1 4 . 1 1 46 46 TYR C C 46 176.664 176.664 178.036 -1.372 25791 1450 1 4 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.724 0.527 25791 1451 1 4 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.421 -0.749 25791 1452 1 4 . 1 1 46 46 TYR H H 46 8.253 8.253 8.380 -0.127 25791 1453 1 4 . 1 1 47 47 GLN N N 47 116.407 116.407 117.425 -1.018 25791 1454 1 4 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.752 0.032 25791 1455 1 4 . 1 1 47 47 GLN C C 47 179.048 179.048 178.658 0.390 25791 1456 1 4 . 1 1 47 47 GLN CA C 47 58.949 58.949 58.917 0.032 25791 1457 1 4 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.027 0.154 25791 1458 1 4 . 1 1 47 47 GLN H H 47 7.814 7.814 8.636 -0.823 25791 1459 1 4 . 1 1 48 48 GLN N N 48 119.803 119.803 119.943 -0.140 25791 1460 1 4 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.093 -0.116 25791 1461 1 4 . 1 1 48 48 GLN C C 48 177.741 177.741 178.219 -0.478 25791 1462 1 4 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.194 0.120 25791 1463 1 4 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.317 0.011 25791 1464 1 4 . 1 1 48 48 GLN H H 48 8.645 8.645 8.399 0.246 25791 1465 1 4 . 1 1 49 49 TYR N N 49 121.342 121.342 122.132 -0.790 25791 1466 1 4 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.227 -0.587 25791 1467 1 4 . 1 1 49 49 TYR C C 49 176.021 176.021 177.473 -1.452 25791 1468 1 4 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.073 1.036 25791 1469 1 4 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.092 0.816 25791 1470 1 4 . 1 1 49 49 TYR H H 49 9.105 9.105 8.624 0.481 25791 1471 1 4 . 1 1 50 50 MET N N 50 115.522 115.522 118.521 -2.999 25791 1472 1 4 . 1 1 50 50 MET HA H 50 4.040 4.040 3.564 0.476 25791 1473 1 4 . 1 1 50 50 MET C C 50 179.841 179.841 178.105 1.736 25791 1474 1 4 . 1 1 50 50 MET CA C 50 56.623 56.623 58.403 -1.780 25791 1475 1 4 . 1 1 50 50 MET CB C 50 30.099 30.099 32.111 -2.012 25791 1476 1 4 . 1 1 50 50 MET H H 50 8.060 8.060 8.269 -0.209 25791 1477 1 4 . 1 1 51 51 GLN N N 51 118.942 118.942 118.578 0.364 25791 1478 1 4 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.867 0.198 25791 1479 1 4 . 1 1 51 51 GLN C C 51 178.707 178.707 178.321 0.386 25791 1480 1 4 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.630 -0.689 25791 1481 1 4 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.493 -0.004 25791 1482 1 4 . 1 1 51 51 GLN H H 51 7.830 7.830 7.945 -0.115 25791 1483 1 4 . 1 1 52 52 GLN N N 52 119.210 119.210 119.293 -0.083 25791 1484 1 4 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.103 -0.046 25791 1485 1 4 . 1 1 52 52 GLN C C 52 178.738 178.738 178.571 0.167 25791 1486 1 4 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.632 0.117 25791 1487 1 4 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.888 -0.485 25791 1488 1 4 . 1 1 52 52 GLN H H 52 8.187 8.187 8.017 0.170 25791 1489 1 4 . 1 1 53 53 LEU N N 53 121.233 121.233 121.160 0.073 25791 1490 1 4 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.896 -0.055 25791 1491 1 4 . 1 1 53 53 LEU C C 53 179.191 179.191 177.930 1.261 25791 1492 1 4 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.638 0.107 25791 1493 1 4 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.314 0.552 25791 1494 1 4 . 1 1 53 53 LEU H H 53 8.441 8.441 8.182 0.259 25791 1495 1 4 . 1 1 54 54 TYR N N 54 118.505 118.505 119.571 -1.066 25791 1496 1 4 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.890 0.428 25791 1497 1 4 . 1 1 54 54 TYR C C 54 177.535 177.535 177.362 0.173 25791 1498 1 4 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.559 -2.082 25791 1499 1 4 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.154 -0.368 25791 1500 1 4 . 1 1 54 54 TYR H H 54 7.819 7.819 8.065 -0.246 25791 1501 1 4 . 1 1 55 55 GLN N N 55 117.299 117.299 117.464 -0.165 25791 1502 1 4 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.011 -0.112 25791 1503 1 4 . 1 1 55 55 GLN C C 55 179.041 179.041 178.366 0.675 25791 1504 1 4 . 1 1 55 55 GLN CA C 55 58.709 58.709 59.000 -0.291 25791 1505 1 4 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.332 -0.117 25791 1506 1 4 . 1 1 55 55 GLN H H 55 7.735 7.735 7.827 -0.092 25791 1507 1 4 . 1 1 56 56 VAL N N 56 120.879 120.879 120.004 0.875 25791 1508 1 4 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.641 0.151 25791 1509 1 4 . 1 1 56 56 VAL C C 56 178.262 178.262 178.113 0.149 25791 1510 1 4 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.347 -0.405 25791 1511 1 4 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.273 0.606 25791 1512 1 4 . 1 1 56 56 VAL H H 56 8.014 8.014 7.554 0.460 25791 1513 1 4 . 1 1 57 57 GLN N N 57 120.513 120.513 119.153 1.360 25791 1514 1 4 . 1 1 57 57 GLN HA H 57 4.060 4.060 4.040 0.020 25791 1515 1 4 . 1 1 57 57 GLN C C 57 178.772 178.772 178.422 0.350 25791 1516 1 4 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.303 0.313 25791 1517 1 4 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.794 0.191 25791 1518 1 4 . 1 1 57 57 GLN H H 57 8.103 8.103 7.989 0.114 25791 1519 1 4 . 1 1 58 58 LEU N N 58 121.244 121.244 121.263 -0.019 25791 1520 1 4 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.912 0.093 25791 1521 1 4 . 1 1 58 58 LEU C C 58 179.134 179.134 178.270 0.864 25791 1522 1 4 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.138 0.368 25791 1523 1 4 . 1 1 58 58 LEU CB C 58 41.803 41.803 40.953 0.850 25791 1524 1 4 . 1 1 58 58 LEU H H 58 8.176 8.176 8.161 0.015 25791 1525 1 4 . 1 1 59 59 ALA N N 59 121.608 121.608 121.904 -0.296 25791 1526 1 4 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.957 0.208 25791 1527 1 4 . 1 1 59 59 ALA C C 59 180.497 180.497 179.951 0.546 25791 1528 1 4 . 1 1 59 59 ALA CA C 59 54.582 54.582 54.923 -0.341 25791 1529 1 4 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.331 -0.278 25791 1530 1 4 . 1 1 59 59 ALA H H 59 7.833 7.833 8.254 -0.421 25791 1531 1 4 . 1 1 60 60 GLN N N 60 118.335 118.335 117.450 0.885 25791 1532 1 4 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.973 0.175 25791 1533 1 4 . 1 1 60 60 GLN C C 60 178.334 178.334 178.697 -0.363 25791 1534 1 4 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.346 -0.369 25791 1535 1 4 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.198 0.237 25791 1536 1 4 . 1 1 60 60 GLN H H 60 8.081 8.081 7.893 0.188 25791 1537 1 4 . 1 1 61 61 GLN N N 61 120.206 120.206 120.265 -0.059 25791 1538 1 4 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.985 0.177 25791 1539 1 4 . 1 1 61 61 GLN C C 61 178.002 178.002 178.391 -0.389 25791 1540 1 4 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.605 -0.701 25791 1541 1 4 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.228 0.351 25791 1542 1 4 . 1 1 61 61 GLN H H 61 8.111 8.111 8.023 0.088 25791 1543 1 4 . 1 1 62 62 GLN N N 62 118.980 118.980 119.329 -0.349 25791 1544 1 4 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.012 0.117 25791 1545 1 4 . 1 1 62 62 GLN C C 62 177.624 177.624 178.402 -0.778 25791 1546 1 4 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.684 -1.048 25791 1547 1 4 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.660 -0.024 25791 1548 1 4 . 1 1 62 62 GLN H H 62 8.203 8.203 8.517 -0.314 25791 1549 1 4 . 1 1 63 63 ALA N N 63 122.712 122.712 121.340 1.372 25791 1550 1 4 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.037 0.169 25791 1551 1 4 . 1 1 63 63 ALA C C 63 178.922 178.922 178.645 0.277 25791 1552 1 4 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.435 -0.539 25791 1553 1 4 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.514 -0.055 25791 1554 1 4 . 1 1 63 63 ALA H H 63 8.004 8.004 7.926 0.078 25791 1555 1 4 . 1 1 64 64 ALA N N 64 120.813 120.813 121.083 -0.270 25791 1556 1 4 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.146 0.086 25791 1557 1 4 . 1 1 64 64 ALA C C 64 178.732 178.732 178.992 -0.260 25791 1558 1 4 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.121 -0.605 25791 1559 1 4 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.211 -0.581 25791 1560 1 4 . 1 1 64 64 ALA H H 64 7.837 7.837 7.655 0.182 25791 1561 1 4 . 1 1 65 65 LEU N N 65 119.196 119.196 117.957 1.239 25791 1562 1 4 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.216 0.041 25791 1563 1 4 . 1 1 65 65 LEU C C 65 178.038 178.038 177.985 0.053 25791 1564 1 4 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.384 -0.562 25791 1565 1 4 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.220 0.044 25791 1566 1 4 . 1 1 65 65 LEU H H 65 7.765 7.765 7.999 -0.234 25791 1567 1 4 . 1 1 66 66 GLN N N 66 119.365 119.365 113.526 5.839 25791 1568 1 4 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.991 0.284 25791 1569 1 4 . 1 1 66 66 GLN C C 66 176.120 176.120 175.721 0.399 25791 1570 1 4 . 1 1 66 66 GLN CA C 66 56.067 56.067 56.956 -0.889 25791 1571 1 4 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.741 2.391 25791 1572 1 4 . 1 1 66 66 GLN H H 66 7.967 7.967 8.069 -0.102 25791 1573 1 4 . 1 1 67 67 LYS N N 67 121.521 121.521 117.889 3.632 25791 1574 1 4 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.257 0.052 25791 1575 1 4 . 1 1 67 67 LYS C C 67 176.437 176.437 175.844 0.593 25791 1576 1 4 . 1 1 67 67 LYS CA C 67 56.389 56.389 56.740 -0.351 25791 1577 1 4 . 1 1 67 67 LYS CB C 67 33.041 33.041 32.712 0.329 25791 1578 1 4 . 1 1 67 67 LYS H H 67 8.053 8.053 8.187 -0.134 25791 1579 1 4 . 1 1 68 68 GLN N N 68 121.970 121.970 118.292 3.678 25791 1580 1 4 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.476 -0.137 25791 1581 1 4 . 1 1 68 68 GLN C C 68 175.120 175.120 175.300 -0.180 25791 1582 1 4 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.263 0.737 25791 1583 1 4 . 1 1 68 68 GLN CB C 68 29.498 29.498 29.910 -0.412 25791 1584 1 4 . 1 1 68 68 GLN H H 68 8.314 8.314 7.903 0.411 25791 1585 1 5 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.312 0.135 25791 1586 1 5 . 1 1 2 2 GLN C C 2 176.144 176.144 177.590 -1.446 25791 1587 1 5 . 1 1 2 2 GLN CA C 2 56.209 56.209 58.110 -1.901 25791 1588 1 5 . 1 1 2 2 GLN CB C 2 29.459 29.459 28.095 1.364 25791 1589 1 5 . 1 1 3 3 GLN N N 3 122.052 122.052 120.229 1.823 25791 1590 1 5 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.283 0.040 25791 1591 1 5 . 1 1 3 3 GLN C C 3 176.988 176.988 178.075 -1.087 25791 1592 1 5 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.486 -1.083 25791 1593 1 5 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.350 0.889 25791 1594 1 5 . 1 1 3 3 GLN H H 3 8.780 8.780 8.542 0.238 25791 1595 1 5 . 1 1 4 4 LYS N N 4 121.855 121.855 120.223 1.632 25791 1596 1 5 . 1 1 4 4 LYS HA H 4 4.004 4.004 3.945 0.059 25791 1597 1 5 . 1 1 4 4 LYS C C 4 177.638 177.638 178.358 -0.720 25791 1598 1 5 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.649 0.590 25791 1599 1 5 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.065 0.634 25791 1600 1 5 . 1 1 4 4 LYS H H 4 8.528 8.528 7.828 0.700 25791 1601 1 5 . 1 1 5 5 GLN N N 5 116.397 116.397 117.781 -1.384 25791 1602 1 5 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.879 0.062 25791 1603 1 5 . 1 1 5 5 GLN C C 5 178.761 178.761 178.323 0.438 25791 1604 1 5 . 1 1 5 5 GLN CA C 5 59.349 59.349 59.050 0.299 25791 1605 1 5 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.401 -0.452 25791 1606 1 5 . 1 1 5 5 GLN H H 5 8.223 8.223 7.755 0.468 25791 1607 1 5 . 1 1 6 6 GLN N N 6 119.262 119.262 118.943 0.319 25791 1608 1 5 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.112 0.016 25791 1609 1 5 . 1 1 6 6 GLN C C 6 179.018 179.018 178.312 0.706 25791 1610 1 5 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.592 0.497 25791 1611 1 5 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.225 0.485 25791 1612 1 5 . 1 1 6 6 GLN H H 6 7.848 7.848 7.712 0.136 25791 1613 1 5 . 1 1 7 7 ILE N N 7 121.296 121.296 122.218 -0.922 25791 1614 1 5 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.838 -0.255 25791 1615 1 5 . 1 1 7 7 ILE C C 7 177.833 177.833 178.222 -0.389 25791 1616 1 5 . 1 1 7 7 ILE CA C 7 65.129 65.129 63.215 1.914 25791 1617 1 5 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.067 1.139 25791 1618 1 5 . 1 1 7 7 ILE H H 7 8.095 8.095 7.447 0.648 25791 1619 1 5 . 1 1 8 8 MET N N 8 117.603 117.603 118.849 -1.246 25791 1620 1 5 . 1 1 8 8 MET HA H 8 3.985 3.985 3.972 0.013 25791 1621 1 5 . 1 1 8 8 MET C C 8 177.355 177.355 178.796 -1.441 25791 1622 1 5 . 1 1 8 8 MET CA C 8 59.932 59.932 59.632 0.300 25791 1623 1 5 . 1 1 8 8 MET CB C 8 32.721 32.721 31.962 0.759 25791 1624 1 5 . 1 1 8 8 MET H H 8 8.672 8.672 8.456 0.216 25791 1625 1 5 . 1 1 9 9 ALA N N 9 118.774 118.774 121.601 -2.827 25791 1626 1 5 . 1 1 9 9 ALA HA H 9 4.046 4.046 3.993 0.053 25791 1627 1 5 . 1 1 9 9 ALA C C 9 180.546 180.546 179.072 1.474 25791 1628 1 5 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.078 0.306 25791 1629 1 5 . 1 1 9 9 ALA CB C 9 17.898 17.898 18.026 -0.128 25791 1630 1 5 . 1 1 9 9 ALA H H 9 7.795 7.795 7.965 -0.170 25791 1631 1 5 . 1 1 10 10 ALA N N 10 120.854 120.854 121.362 -0.508 25791 1632 1 5 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.091 0.114 25791 1633 1 5 . 1 1 10 10 ALA C C 10 181.200 181.200 179.459 1.741 25791 1634 1 5 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.536 0.476 25791 1635 1 5 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.530 0.731 25791 1636 1 5 . 1 1 10 10 ALA H H 10 7.438 7.438 7.572 -0.134 25791 1637 1 5 . 1 1 11 11 LEU N N 11 120.775 120.775 118.664 2.111 25791 1638 1 5 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.760 -0.012 25791 1639 1 5 . 1 1 11 11 LEU C C 11 179.041 179.041 179.086 -0.045 25791 1640 1 5 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.894 0.452 25791 1641 1 5 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.352 -1.375 25791 1642 1 5 . 1 1 11 11 LEU H H 11 8.757 8.757 8.536 0.221 25791 1643 1 5 . 1 1 12 12 ASN N N 12 116.313 116.313 117.655 -1.342 25791 1644 1 5 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.469 0.095 25791 1645 1 5 . 1 1 12 12 ASN C C 12 178.900 178.900 177.674 1.226 25791 1646 1 5 . 1 1 12 12 ASN CA C 12 54.065 54.065 56.015 -1.950 25791 1647 1 5 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.783 -1.790 25791 1648 1 5 . 1 1 12 12 ASN H H 12 8.850 8.850 8.424 0.426 25791 1649 1 5 . 1 1 13 13 SER N N 13 114.747 114.747 116.151 -1.404 25791 1650 1 5 . 1 1 13 13 SER HA H 13 4.370 4.370 4.110 0.260 25791 1651 1 5 . 1 1 13 13 SER C C 13 176.515 176.515 176.924 -0.409 25791 1652 1 5 . 1 1 13 13 SER CA C 13 61.141 61.141 61.250 -0.109 25791 1653 1 5 . 1 1 13 13 SER CB C 13 63.044 63.044 63.194 -0.150 25791 1654 1 5 . 1 1 13 13 SER H H 13 7.672 7.672 7.815 -0.143 25791 1655 1 5 . 1 1 14 14 GLN N N 14 119.954 119.954 118.256 1.698 25791 1656 1 5 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.201 0.017 25791 1657 1 5 . 1 1 14 14 GLN C C 14 178.208 178.208 177.200 1.008 25791 1658 1 5 . 1 1 14 14 GLN CA C 14 57.749 57.749 58.050 -0.301 25791 1659 1 5 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.815 -0.115 25791 1660 1 5 . 1 1 14 14 GLN H H 14 7.573 7.573 7.714 -0.141 25791 1661 1 5 . 1 1 15 15 THR N N 15 107.493 107.493 108.274 -0.781 25791 1662 1 5 . 1 1 15 15 THR HA H 15 3.899 3.899 4.338 -0.439 25791 1663 1 5 . 1 1 15 15 THR C C 15 174.683 174.683 174.327 0.356 25791 1664 1 5 . 1 1 15 15 THR CA C 15 61.551 61.551 60.408 1.143 25791 1665 1 5 . 1 1 15 15 THR CB C 15 69.226 69.226 69.342 -0.116 25791 1666 1 5 . 1 1 15 15 THR H H 15 7.741 7.741 7.551 0.190 25791 1667 1 5 . 1 1 16 16 ALA N N 16 124.034 124.034 125.872 -1.838 25791 1668 1 5 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.055 0.080 25791 1669 1 5 . 1 1 16 16 ALA C C 16 179.899 179.899 178.741 1.158 25791 1670 1 5 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.574 0.633 25791 1671 1 5 . 1 1 16 16 ALA CB C 16 18.724 18.724 17.801 0.923 25791 1672 1 5 . 1 1 16 16 ALA H H 16 6.873 6.873 7.344 -0.471 25791 1673 1 5 . 1 1 17 17 VAL N N 17 117.150 117.150 117.776 -0.626 25791 1674 1 5 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.775 -0.061 25791 1675 1 5 . 1 1 17 17 VAL C C 17 178.537 178.537 177.455 1.082 25791 1676 1 5 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.088 1.420 25791 1677 1 5 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.299 0.394 25791 1678 1 5 . 1 1 17 17 VAL H H 17 8.162 8.162 8.412 -0.250 25791 1679 1 5 . 1 1 18 18 GLN N N 18 119.489 119.489 119.642 -0.153 25791 1680 1 5 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.022 0.035 25791 1681 1 5 . 1 1 18 18 GLN C C 18 180.429 180.429 178.917 1.512 25791 1682 1 5 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.321 0.378 25791 1683 1 5 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.416 0.770 25791 1684 1 5 . 1 1 18 18 GLN H H 18 8.451 8.451 7.995 0.456 25791 1685 1 5 . 1 1 19 19 PHE N N 19 117.940 117.940 118.764 -0.824 25791 1686 1 5 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.478 0.352 25791 1687 1 5 . 1 1 19 19 PHE C C 19 177.858 177.858 178.260 -0.402 25791 1688 1 5 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.541 -1.512 25791 1689 1 5 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.196 -2.291 25791 1690 1 5 . 1 1 19 19 PHE H H 19 8.924 8.924 8.545 0.379 25791 1691 1 5 . 1 1 20 20 GLN N N 20 120.297 120.297 119.532 0.765 25791 1692 1 5 . 1 1 20 20 GLN HA H 20 4.106 4.106 4.042 0.064 25791 1693 1 5 . 1 1 20 20 GLN C C 20 178.986 178.986 178.662 0.324 25791 1694 1 5 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.562 0.001 25791 1695 1 5 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.548 -0.653 25791 1696 1 5 . 1 1 20 20 GLN H H 20 8.264 8.264 8.278 -0.014 25791 1697 1 5 . 1 1 21 21 GLN N N 21 118.595 118.595 119.325 -0.730 25791 1698 1 5 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.048 0.034 25791 1699 1 5 . 1 1 21 21 GLN C C 21 178.806 178.806 178.615 0.191 25791 1700 1 5 . 1 1 21 21 GLN CA C 21 59.170 59.170 59.073 0.097 25791 1701 1 5 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.840 -0.644 25791 1702 1 5 . 1 1 21 21 GLN H H 21 8.527 8.527 8.369 0.158 25791 1703 1 5 . 1 1 22 22 TYR N N 22 119.594 119.594 121.370 -1.776 25791 1704 1 5 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.340 -0.093 25791 1705 1 5 . 1 1 22 22 TYR C C 22 177.789 177.789 177.386 0.403 25791 1706 1 5 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.373 1.339 25791 1707 1 5 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.532 0.192 25791 1708 1 5 . 1 1 22 22 TYR H H 22 7.843 7.843 7.900 -0.057 25791 1709 1 5 . 1 1 23 23 ALA N N 23 120.663 120.663 121.426 -0.763 25791 1710 1 5 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.824 0.033 25791 1711 1 5 . 1 1 23 23 ALA C C 23 179.319 179.319 178.746 0.573 25791 1712 1 5 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.951 0.638 25791 1713 1 5 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.192 0.290 25791 1714 1 5 . 1 1 23 23 ALA H H 23 8.612 8.612 8.740 -0.128 25791 1715 1 5 . 1 1 24 24 ALA N N 24 119.002 119.002 120.866 -1.864 25791 1716 1 5 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.099 -0.161 25791 1717 1 5 . 1 1 24 24 ALA C C 24 178.987 178.987 178.809 0.178 25791 1718 1 5 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.192 0.125 25791 1719 1 5 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.398 -0.507 25791 1720 1 5 . 1 1 24 24 ALA H H 24 8.168 8.168 7.937 0.231 25791 1721 1 5 . 1 1 25 25 GLN N N 25 115.599 115.599 116.883 -1.284 25791 1722 1 5 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.013 -0.009 25791 1723 1 5 . 1 1 25 25 GLN C C 25 177.818 177.818 178.264 -0.446 25791 1724 1 5 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.158 -0.704 25791 1725 1 5 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.912 -0.457 25791 1726 1 5 . 1 1 25 25 GLN H H 25 7.300 7.300 7.572 -0.272 25791 1727 1 5 . 1 1 26 26 GLN N N 26 116.989 116.989 116.552 0.437 25791 1728 1 5 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.808 -0.104 25791 1729 1 5 . 1 1 26 26 GLN C C 26 175.979 175.979 176.061 -0.082 25791 1730 1 5 . 1 1 26 26 GLN CA C 26 56.788 56.788 57.091 -0.303 25791 1731 1 5 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.531 -0.451 25791 1732 1 5 . 1 1 26 26 GLN H H 26 7.401 7.401 7.464 -0.063 25791 1733 1 5 . 1 1 27 27 TYR N N 27 114.712 114.712 117.764 -3.052 25791 1734 1 5 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.883 0.195 25791 1735 1 5 . 1 1 27 27 TYR C C 27 172.931 172.931 173.694 -0.763 25791 1736 1 5 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.594 0.573 25791 1737 1 5 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.186 1.474 25791 1738 1 5 . 1 1 27 27 TYR H H 27 7.675 7.675 8.005 -0.330 25791 1739 1 5 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.334 0.028 25791 1740 1 5 . 1 1 28 28 PRO C C 28 179.333 179.333 177.903 1.430 25791 1741 1 5 . 1 1 28 28 PRO CA C 28 64.394 64.394 64.117 0.277 25791 1742 1 5 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.378 -1.124 25791 1743 1 5 . 1 1 29 29 GLY N N 29 110.091 110.091 112.758 -2.667 25791 1744 1 5 . 1 1 29 29 GLY C C 29 173.218 173.218 174.803 -1.585 25791 1745 1 5 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.329 0.583 25791 1746 1 5 . 1 1 29 29 GLY H H 29 8.826 8.826 8.750 0.076 25791 1747 1 5 . 1 1 30 30 ASN N N 30 118.603 118.603 123.478 -4.875 25791 1748 1 5 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.908 0.091 25791 1749 1 5 . 1 1 30 30 ASN C C 30 173.977 173.977 175.738 -1.761 25791 1750 1 5 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.223 -0.038 25791 1751 1 5 . 1 1 30 30 ASN CB C 30 38.426 38.426 37.394 1.032 25791 1752 1 5 . 1 1 30 30 ASN H H 30 7.293 7.293 7.730 -0.437 25791 1753 1 5 . 1 1 31 31 TYR N N 31 125.240 125.240 121.864 3.376 25791 1754 1 5 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.203 -0.305 25791 1755 1 5 . 1 1 31 31 TYR C C 31 177.343 177.343 177.087 0.256 25791 1756 1 5 . 1 1 31 31 TYR CA C 31 61.811 61.811 60.869 0.942 25791 1757 1 5 . 1 1 31 31 TYR CB C 31 38.357 38.357 37.471 0.886 25791 1758 1 5 . 1 1 31 31 TYR H H 31 8.509 8.509 7.843 0.666 25791 1759 1 5 . 1 1 32 32 GLU N N 32 118.993 118.993 119.438 -0.445 25791 1760 1 5 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.896 0.004 25791 1761 1 5 . 1 1 32 32 GLU C C 32 179.549 179.549 178.715 0.834 25791 1762 1 5 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.486 0.626 25791 1763 1 5 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.616 0.552 25791 1764 1 5 . 1 1 32 32 GLU H H 32 8.714 8.714 7.748 0.966 25791 1765 1 5 . 1 1 33 33 GLN N N 33 117.037 117.037 118.118 -1.081 25791 1766 1 5 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.825 -0.091 25791 1767 1 5 . 1 1 33 33 GLN C C 33 179.119 179.119 178.543 0.576 25791 1768 1 5 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.513 -0.811 25791 1769 1 5 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.729 -0.103 25791 1770 1 5 . 1 1 33 33 GLN H H 33 7.536 7.536 8.182 -0.646 25791 1771 1 5 . 1 1 34 34 GLN N N 34 117.723 117.723 119.670 -1.947 25791 1772 1 5 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.071 -0.260 25791 1773 1 5 . 1 1 34 34 GLN C C 34 177.634 177.634 178.683 -1.049 25791 1774 1 5 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.515 0.650 25791 1775 1 5 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.621 -1.120 25791 1776 1 5 . 1 1 34 34 GLN H H 34 7.968 7.968 8.494 -0.526 25791 1777 1 5 . 1 1 35 35 GLN N N 35 115.293 115.293 118.912 -3.619 25791 1778 1 5 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.123 -0.332 25791 1779 1 5 . 1 1 35 35 GLN C C 35 178.757 178.757 178.694 0.063 25791 1780 1 5 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.609 0.001 25791 1781 1 5 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.494 -0.289 25791 1782 1 5 . 1 1 35 35 GLN H H 35 7.870 7.870 8.002 -0.132 25791 1783 1 5 . 1 1 36 36 ILE N N 36 120.769 120.769 120.685 0.084 25791 1784 1 5 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.661 -0.097 25791 1785 1 5 . 1 1 36 36 ILE C C 36 178.273 178.273 178.205 0.068 25791 1786 1 5 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.273 -0.037 25791 1787 1 5 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.669 0.704 25791 1788 1 5 . 1 1 36 36 ILE H H 36 7.503 7.503 8.221 -0.718 25791 1789 1 5 . 1 1 37 37 LEU N N 37 121.056 121.056 121.381 -0.325 25791 1790 1 5 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.044 0.265 25791 1791 1 5 . 1 1 37 37 LEU C C 37 178.348 178.348 178.209 0.139 25791 1792 1 5 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.930 -0.196 25791 1793 1 5 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.742 -0.226 25791 1794 1 5 . 1 1 37 37 LEU H H 37 7.678 7.678 7.974 -0.296 25791 1795 1 5 . 1 1 38 38 ILE N N 38 119.334 119.334 120.333 -0.999 25791 1796 1 5 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.434 -0.093 25791 1797 1 5 . 1 1 38 38 ILE C C 38 177.371 177.371 177.931 -0.560 25791 1798 1 5 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.951 1.134 25791 1799 1 5 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.621 0.728 25791 1800 1 5 . 1 1 38 38 ILE H H 38 8.702 8.702 8.488 0.214 25791 1801 1 5 . 1 1 39 39 ARG N N 39 117.798 117.798 119.732 -1.934 25791 1802 1 5 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.231 -0.016 25791 1803 1 5 . 1 1 39 39 ARG C C 39 179.555 179.555 179.279 0.276 25791 1804 1 5 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.852 -0.393 25791 1805 1 5 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.997 -0.244 25791 1806 1 5 . 1 1 39 39 ARG H H 39 7.739 7.739 8.403 -0.664 25791 1807 1 5 . 1 1 40 40 GLN N N 40 119.432 119.432 119.171 0.261 25791 1808 1 5 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.054 0.083 25791 1809 1 5 . 1 1 40 40 GLN C C 40 179.522 179.522 178.603 0.919 25791 1810 1 5 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.912 0.348 25791 1811 1 5 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.624 -0.266 25791 1812 1 5 . 1 1 40 40 GLN H H 40 7.811 7.811 7.600 0.211 25791 1813 1 5 . 1 1 41 41 LEU N N 41 121.592 121.592 120.159 1.433 25791 1814 1 5 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.666 0.021 25791 1815 1 5 . 1 1 41 41 LEU C C 41 178.974 178.974 178.915 0.059 25791 1816 1 5 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.601 0.362 25791 1817 1 5 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.778 -0.926 25791 1818 1 5 . 1 1 41 41 LEU H H 41 8.648 8.648 8.212 0.436 25791 1819 1 5 . 1 1 42 42 GLN N N 42 119.054 119.054 118.510 0.544 25791 1820 1 5 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.293 0.251 25791 1821 1 5 . 1 1 42 42 GLN C C 42 180.176 180.176 178.808 1.368 25791 1822 1 5 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.480 -0.246 25791 1823 1 5 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.810 -0.890 25791 1824 1 5 . 1 1 42 42 GLN H H 42 8.641 8.641 8.511 0.130 25791 1825 1 5 . 1 1 43 43 GLU N N 43 121.517 121.517 120.994 0.523 25791 1826 1 5 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.105 0.131 25791 1827 1 5 . 1 1 43 43 GLU C C 43 179.721 179.721 178.981 0.740 25791 1828 1 5 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.578 0.089 25791 1829 1 5 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.516 -0.258 25791 1830 1 5 . 1 1 43 43 GLU H H 43 8.111 8.111 8.035 0.076 25791 1831 1 5 . 1 1 44 44 GLN N N 44 119.240 119.240 119.046 0.194 25791 1832 1 5 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.238 -0.122 25791 1833 1 5 . 1 1 44 44 GLN C C 44 179.012 179.012 178.424 0.588 25791 1834 1 5 . 1 1 44 44 GLN CA C 44 59.149 59.149 59.008 0.141 25791 1835 1 5 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.824 0.030 25791 1836 1 5 . 1 1 44 44 GLN H H 44 8.372 8.372 8.258 0.114 25791 1837 1 5 . 1 1 45 45 HIS N N 45 121.705 121.705 120.613 1.092 25791 1838 1 5 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.292 -0.012 25791 1839 1 5 . 1 1 45 45 HIS C C 45 176.395 176.395 177.394 -0.999 25791 1840 1 5 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.112 1.247 25791 1841 1 5 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.560 1.765 25791 1842 1 5 . 1 1 45 45 HIS H H 45 9.472 9.472 8.369 1.103 25791 1843 1 5 . 1 1 46 46 TYR N N 46 119.039 119.039 120.317 -1.278 25791 1844 1 5 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.089 -0.240 25791 1845 1 5 . 1 1 46 46 TYR C C 46 176.664 176.664 177.963 -1.299 25791 1846 1 5 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.733 0.519 25791 1847 1 5 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.321 -0.649 25791 1848 1 5 . 1 1 46 46 TYR H H 46 8.253 8.253 8.293 -0.040 25791 1849 1 5 . 1 1 47 47 GLN N N 47 116.407 116.407 118.224 -1.817 25791 1850 1 5 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.676 0.108 25791 1851 1 5 . 1 1 47 47 GLN C C 47 179.048 179.048 178.308 0.740 25791 1852 1 5 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.296 -0.347 25791 1853 1 5 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.466 -0.285 25791 1854 1 5 . 1 1 47 47 GLN H H 47 7.814 7.814 8.617 -0.803 25791 1855 1 5 . 1 1 48 48 GLN N N 48 119.803 119.803 119.524 0.279 25791 1856 1 5 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.049 -0.072 25791 1857 1 5 . 1 1 48 48 GLN C C 48 177.741 177.741 178.104 -0.363 25791 1858 1 5 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.646 -0.332 25791 1859 1 5 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.476 -0.148 25791 1860 1 5 . 1 1 48 48 GLN H H 48 8.645 8.645 8.637 0.008 25791 1861 1 5 . 1 1 49 49 TYR N N 49 121.342 121.342 121.343 -0.001 25791 1862 1 5 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.154 -0.514 25791 1863 1 5 . 1 1 49 49 TYR C C 49 176.021 176.021 177.586 -1.565 25791 1864 1 5 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.317 0.792 25791 1865 1 5 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.244 0.663 25791 1866 1 5 . 1 1 49 49 TYR H H 49 9.105 9.105 8.433 0.672 25791 1867 1 5 . 1 1 50 50 MET N N 50 115.522 115.522 118.462 -2.940 25791 1868 1 5 . 1 1 50 50 MET HA H 50 4.040 4.040 3.592 0.448 25791 1869 1 5 . 1 1 50 50 MET C C 50 179.841 179.841 178.145 1.696 25791 1870 1 5 . 1 1 50 50 MET CA C 50 56.623 56.623 58.478 -1.855 25791 1871 1 5 . 1 1 50 50 MET CB C 50 30.099 30.099 32.053 -1.954 25791 1872 1 5 . 1 1 50 50 MET H H 50 8.060 8.060 8.378 -0.318 25791 1873 1 5 . 1 1 51 51 GLN N N 51 118.942 118.942 118.707 0.235 25791 1874 1 5 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.893 0.172 25791 1875 1 5 . 1 1 51 51 GLN C C 51 178.707 178.707 178.328 0.379 25791 1876 1 5 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.133 -0.192 25791 1877 1 5 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.337 0.152 25791 1878 1 5 . 1 1 51 51 GLN H H 51 7.830 7.830 7.914 -0.084 25791 1879 1 5 . 1 1 52 52 GLN N N 52 119.210 119.210 119.610 -0.400 25791 1880 1 5 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.103 -0.046 25791 1881 1 5 . 1 1 52 52 GLN C C 52 178.738 178.738 178.571 0.167 25791 1882 1 5 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.300 0.449 25791 1883 1 5 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.453 -0.051 25791 1884 1 5 . 1 1 52 52 GLN H H 52 8.187 8.187 8.091 0.097 25791 1885 1 5 . 1 1 53 53 LEU N N 53 121.233 121.233 121.321 -0.088 25791 1886 1 5 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.897 -0.056 25791 1887 1 5 . 1 1 53 53 LEU C C 53 179.191 179.191 177.899 1.292 25791 1888 1 5 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.566 0.179 25791 1889 1 5 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.205 0.661 25791 1890 1 5 . 1 1 53 53 LEU H H 53 8.441 8.441 8.169 0.272 25791 1891 1 5 . 1 1 54 54 TYR N N 54 118.505 118.505 119.482 -0.977 25791 1892 1 5 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.857 0.461 25791 1893 1 5 . 1 1 54 54 TYR C C 54 177.535 177.535 177.454 0.081 25791 1894 1 5 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.147 -1.670 25791 1895 1 5 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.216 -0.430 25791 1896 1 5 . 1 1 54 54 TYR H H 54 7.819 7.819 8.121 -0.302 25791 1897 1 5 . 1 1 55 55 GLN N N 55 117.299 117.299 117.733 -0.434 25791 1898 1 5 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.018 -0.119 25791 1899 1 5 . 1 1 55 55 GLN C C 55 179.041 179.041 178.533 0.508 25791 1900 1 5 . 1 1 55 55 GLN CA C 55 58.709 58.709 59.004 -0.295 25791 1901 1 5 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.631 -0.416 25791 1902 1 5 . 1 1 55 55 GLN H H 55 7.735 7.735 7.714 0.021 25791 1903 1 5 . 1 1 56 56 VAL N N 56 120.879 120.879 119.916 0.963 25791 1904 1 5 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.649 0.143 25791 1905 1 5 . 1 1 56 56 VAL C C 56 178.262 178.262 178.150 0.112 25791 1906 1 5 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.267 -0.325 25791 1907 1 5 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.293 0.586 25791 1908 1 5 . 1 1 56 56 VAL H H 56 8.014 8.014 7.555 0.459 25791 1909 1 5 . 1 1 57 57 GLN N N 57 120.513 120.513 119.183 1.330 25791 1910 1 5 . 1 1 57 57 GLN HA H 57 4.060 4.060 4.040 0.020 25791 1911 1 5 . 1 1 57 57 GLN C C 57 178.772 178.772 178.389 0.383 25791 1912 1 5 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.269 0.347 25791 1913 1 5 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.811 0.174 25791 1914 1 5 . 1 1 57 57 GLN H H 57 8.103 8.103 8.100 0.003 25791 1915 1 5 . 1 1 58 58 LEU N N 58 121.244 121.244 121.360 -0.116 25791 1916 1 5 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.880 0.125 25791 1917 1 5 . 1 1 58 58 LEU C C 58 179.134 179.134 177.899 1.235 25791 1918 1 5 . 1 1 58 58 LEU CA C 58 57.506 57.506 56.812 0.694 25791 1919 1 5 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.068 0.736 25791 1920 1 5 . 1 1 58 58 LEU H H 58 8.176 8.176 8.219 -0.043 25791 1921 1 5 . 1 1 59 59 ALA N N 59 121.608 121.608 121.386 0.222 25791 1922 1 5 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.865 0.300 25791 1923 1 5 . 1 1 59 59 ALA C C 59 180.497 180.497 179.885 0.612 25791 1924 1 5 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.324 -0.742 25791 1925 1 5 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.158 -0.105 25791 1926 1 5 . 1 1 59 59 ALA H H 59 7.833 7.833 8.152 -0.319 25791 1927 1 5 . 1 1 60 60 GLN N N 60 118.335 118.335 117.072 1.263 25791 1928 1 5 . 1 1 60 60 GLN HA H 60 4.148 4.148 4.025 0.123 25791 1929 1 5 . 1 1 60 60 GLN C C 60 178.334 178.334 178.724 -0.390 25791 1930 1 5 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.221 -0.244 25791 1931 1 5 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.006 0.429 25791 1932 1 5 . 1 1 60 60 GLN H H 60 8.081 8.081 7.647 0.434 25791 1933 1 5 . 1 1 61 61 GLN N N 61 120.206 120.206 119.961 0.245 25791 1934 1 5 . 1 1 61 61 GLN HA H 61 4.162 4.162 4.001 0.161 25791 1935 1 5 . 1 1 61 61 GLN C C 61 178.002 178.002 178.592 -0.590 25791 1936 1 5 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.763 -0.858 25791 1937 1 5 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.458 0.121 25791 1938 1 5 . 1 1 61 61 GLN H H 61 8.111 8.111 8.001 0.110 25791 1939 1 5 . 1 1 62 62 GLN N N 62 118.980 118.980 118.640 0.340 25791 1940 1 5 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.297 -0.168 25791 1941 1 5 . 1 1 62 62 GLN C C 62 177.624 177.624 178.318 -0.694 25791 1942 1 5 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.673 -1.037 25791 1943 1 5 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.651 -0.015 25791 1944 1 5 . 1 1 62 62 GLN H H 62 8.203 8.203 8.396 -0.193 25791 1945 1 5 . 1 1 63 63 ALA N N 63 122.712 122.712 122.236 0.476 25791 1946 1 5 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.145 0.061 25791 1947 1 5 . 1 1 63 63 ALA C C 63 178.922 178.922 178.809 0.113 25791 1948 1 5 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.468 -0.572 25791 1949 1 5 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.174 0.285 25791 1950 1 5 . 1 1 63 63 ALA H H 63 8.004 8.004 7.756 0.248 25791 1951 1 5 . 1 1 64 64 ALA N N 64 120.813 120.813 120.300 0.513 25791 1952 1 5 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.148 0.084 25791 1953 1 5 . 1 1 64 64 ALA C C 64 178.732 178.732 178.638 0.094 25791 1954 1 5 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.099 -0.583 25791 1955 1 5 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.169 -0.540 25791 1956 1 5 . 1 1 64 64 ALA H H 64 7.837 7.837 7.721 0.116 25791 1957 1 5 . 1 1 65 65 LEU N N 65 119.196 119.196 118.344 0.852 25791 1958 1 5 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.363 -0.106 25791 1959 1 5 . 1 1 65 65 LEU C C 65 178.038 178.038 177.927 0.111 25791 1960 1 5 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.051 -0.229 25791 1961 1 5 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.360 -0.096 25791 1962 1 5 . 1 1 65 65 LEU H H 65 7.765 7.765 7.542 0.223 25791 1963 1 5 . 1 1 66 66 GLN N N 66 119.365 119.365 114.005 5.360 25791 1964 1 5 . 1 1 66 66 GLN HA H 66 4.275 4.275 4.010 0.265 25791 1965 1 5 . 1 1 66 66 GLN C C 66 176.120 176.120 176.073 0.047 25791 1966 1 5 . 1 1 66 66 GLN CA C 66 56.067 56.067 57.205 -1.138 25791 1967 1 5 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.592 2.540 25791 1968 1 5 . 1 1 66 66 GLN H H 66 7.967 7.967 8.237 -0.270 25791 1969 1 5 . 1 1 67 67 LYS N N 67 121.521 121.521 120.046 1.475 25791 1970 1 5 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.332 -0.023 25791 1971 1 5 . 1 1 67 67 LYS C C 67 176.437 176.437 176.875 -0.438 25791 1972 1 5 . 1 1 67 67 LYS CA C 67 56.389 56.389 55.154 1.235 25791 1973 1 5 . 1 1 67 67 LYS CB C 67 33.041 33.041 32.703 0.338 25791 1974 1 5 . 1 1 67 67 LYS H H 67 8.053 8.053 7.931 0.122 25791 1975 1 5 . 1 1 68 68 GLN N N 68 121.970 121.970 116.245 5.725 25791 1976 1 5 . 1 1 68 68 GLN HA H 68 4.339 4.339 3.953 0.386 25791 1977 1 5 . 1 1 68 68 GLN C C 68 175.120 175.120 174.134 0.986 25791 1978 1 5 . 1 1 68 68 GLN CA C 68 56.000 56.000 57.011 -1.011 25791 1979 1 5 . 1 1 68 68 GLN CB C 68 29.498 29.498 27.272 2.226 25791 1980 1 5 . 1 1 68 68 GLN H H 68 8.314 8.314 8.385 -0.071 25791 1981 1 6 . 1 1 2 2 GLN HA H 2 4.447 4.447 3.930 0.517 25791 1982 1 6 . 1 1 2 2 GLN C C 2 176.144 176.144 176.023 0.121 25791 1983 1 6 . 1 1 2 2 GLN CA C 2 56.209 56.209 56.798 -0.589 25791 1984 1 6 . 1 1 2 2 GLN CB C 2 29.459 29.459 28.181 1.278 25791 1985 1 6 . 1 1 3 3 GLN N N 3 122.052 122.052 119.381 2.671 25791 1986 1 6 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.290 0.033 25791 1987 1 6 . 1 1 3 3 GLN C C 3 176.988 176.988 178.176 -1.188 25791 1988 1 6 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.032 -0.630 25791 1989 1 6 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.312 0.927 25791 1990 1 6 . 1 1 3 3 GLN H H 3 8.780 8.780 8.784 -0.004 25791 1991 1 6 . 1 1 4 4 LYS N N 4 121.855 121.855 119.542 2.313 25791 1992 1 6 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.074 -0.070 25791 1993 1 6 . 1 1 4 4 LYS C C 4 177.638 177.638 178.342 -0.704 25791 1994 1 6 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.128 1.111 25791 1995 1 6 . 1 1 4 4 LYS CB C 4 32.699 32.699 31.985 0.714 25791 1996 1 6 . 1 1 4 4 LYS H H 4 8.528 8.528 8.329 0.199 25791 1997 1 6 . 1 1 5 5 GLN N N 5 116.397 116.397 118.286 -1.889 25791 1998 1 6 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.929 0.012 25791 1999 1 6 . 1 1 5 5 GLN C C 5 178.761 178.761 178.484 0.277 25791 2000 1 6 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.639 0.710 25791 2001 1 6 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.082 -0.132 25791 2002 1 6 . 1 1 5 5 GLN H H 5 8.223 8.223 7.872 0.351 25791 2003 1 6 . 1 1 6 6 GLN N N 6 119.262 119.262 118.309 0.953 25791 2004 1 6 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.097 0.031 25791 2005 1 6 . 1 1 6 6 GLN C C 6 179.018 179.018 178.194 0.824 25791 2006 1 6 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.942 0.147 25791 2007 1 6 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.007 0.703 25791 2008 1 6 . 1 1 6 6 GLN H H 6 7.848 7.848 7.924 -0.076 25791 2009 1 6 . 1 1 7 7 ILE N N 7 121.296 121.296 120.930 0.366 25791 2010 1 6 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.836 -0.253 25791 2011 1 6 . 1 1 7 7 ILE C C 7 177.833 177.833 178.147 -0.314 25791 2012 1 6 . 1 1 7 7 ILE CA C 7 65.129 65.129 62.973 2.156 25791 2013 1 6 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.033 1.173 25791 2014 1 6 . 1 1 7 7 ILE H H 7 8.095 8.095 7.217 0.878 25791 2015 1 6 . 1 1 8 8 MET N N 8 117.603 117.603 118.725 -1.122 25791 2016 1 6 . 1 1 8 8 MET HA H 8 3.985 3.985 4.002 -0.017 25791 2017 1 6 . 1 1 8 8 MET C C 8 177.355 177.355 178.888 -1.533 25791 2018 1 6 . 1 1 8 8 MET CA C 8 59.932 59.932 59.593 0.339 25791 2019 1 6 . 1 1 8 8 MET CB C 8 32.721 32.721 31.962 0.759 25791 2020 1 6 . 1 1 8 8 MET H H 8 8.672 8.672 8.229 0.443 25791 2021 1 6 . 1 1 9 9 ALA N N 9 118.774 118.774 121.613 -2.839 25791 2022 1 6 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.056 -0.010 25791 2023 1 6 . 1 1 9 9 ALA C C 9 180.546 180.546 179.218 1.328 25791 2024 1 6 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.114 0.271 25791 2025 1 6 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.918 -0.020 25791 2026 1 6 . 1 1 9 9 ALA H H 9 7.795 7.795 8.353 -0.558 25791 2027 1 6 . 1 1 10 10 ALA N N 10 120.854 120.854 122.007 -1.153 25791 2028 1 6 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.131 0.074 25791 2029 1 6 . 1 1 10 10 ALA C C 10 181.200 181.200 179.361 1.839 25791 2030 1 6 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.516 0.496 25791 2031 1 6 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.520 0.741 25791 2032 1 6 . 1 1 10 10 ALA H H 10 7.438 7.438 7.723 -0.285 25791 2033 1 6 . 1 1 11 11 LEU N N 11 120.775 120.775 118.743 2.032 25791 2034 1 6 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.754 -0.006 25791 2035 1 6 . 1 1 11 11 LEU C C 11 179.041 179.041 179.379 -0.338 25791 2036 1 6 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.906 0.440 25791 2037 1 6 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.089 -1.112 25791 2038 1 6 . 1 1 11 11 LEU H H 11 8.757 8.757 8.666 0.091 25791 2039 1 6 . 1 1 12 12 ASN N N 12 116.313 116.313 118.223 -1.910 25791 2040 1 6 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.489 0.075 25791 2041 1 6 . 1 1 12 12 ASN C C 12 178.900 178.900 177.694 1.206 25791 2042 1 6 . 1 1 12 12 ASN CA C 12 54.065 54.065 56.502 -2.437 25791 2043 1 6 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.388 -1.395 25791 2044 1 6 . 1 1 12 12 ASN H H 12 8.850 8.850 8.353 0.497 25791 2045 1 6 . 1 1 13 13 SER N N 13 114.747 114.747 115.204 -0.457 25791 2046 1 6 . 1 1 13 13 SER HA H 13 4.370 4.370 4.178 0.192 25791 2047 1 6 . 1 1 13 13 SER C C 13 176.515 176.515 176.484 0.031 25791 2048 1 6 . 1 1 13 13 SER CA C 13 61.141 61.141 61.655 -0.514 25791 2049 1 6 . 1 1 13 13 SER CB C 13 63.044 63.044 63.107 -0.063 25791 2050 1 6 . 1 1 13 13 SER H H 13 7.672 7.672 7.880 -0.208 25791 2051 1 6 . 1 1 14 14 GLN N N 14 119.954 119.954 117.730 2.224 25791 2052 1 6 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.309 -0.091 25791 2053 1 6 . 1 1 14 14 GLN C C 14 178.208 178.208 176.964 1.244 25791 2054 1 6 . 1 1 14 14 GLN CA C 14 57.749 57.749 57.987 -0.238 25791 2055 1 6 . 1 1 14 14 GLN CB C 14 28.700 28.700 29.147 -0.447 25791 2056 1 6 . 1 1 14 14 GLN H H 14 7.573 7.573 7.683 -0.110 25791 2057 1 6 . 1 1 15 15 THR N N 15 107.493 107.493 108.734 -1.241 25791 2058 1 6 . 1 1 15 15 THR HA H 15 3.899 3.899 4.349 -0.450 25791 2059 1 6 . 1 1 15 15 THR C C 15 174.683 174.683 174.859 -0.176 25791 2060 1 6 . 1 1 15 15 THR CA C 15 61.551 61.551 61.305 0.246 25791 2061 1 6 . 1 1 15 15 THR CB C 15 69.226 69.226 69.700 -0.474 25791 2062 1 6 . 1 1 15 15 THR H H 15 7.741 7.741 7.462 0.279 25791 2063 1 6 . 1 1 16 16 ALA N N 16 124.034 124.034 126.493 -2.459 25791 2064 1 6 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.017 0.118 25791 2065 1 6 . 1 1 16 16 ALA C C 16 179.899 179.899 178.562 1.337 25791 2066 1 6 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.797 0.410 25791 2067 1 6 . 1 1 16 16 ALA CB C 16 18.724 18.724 17.798 0.926 25791 2068 1 6 . 1 1 16 16 ALA H H 16 6.873 6.873 7.656 -0.783 25791 2069 1 6 . 1 1 17 17 VAL N N 17 117.150 117.150 118.060 -0.910 25791 2070 1 6 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.696 0.018 25791 2071 1 6 . 1 1 17 17 VAL C C 17 178.537 178.537 177.355 1.182 25791 2072 1 6 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.303 1.205 25791 2073 1 6 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.575 0.118 25791 2074 1 6 . 1 1 17 17 VAL H H 17 8.162 8.162 8.363 -0.201 25791 2075 1 6 . 1 1 18 18 GLN N N 18 119.489 119.489 119.879 -0.390 25791 2076 1 6 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.029 0.028 25791 2077 1 6 . 1 1 18 18 GLN C C 18 180.429 180.429 178.883 1.546 25791 2078 1 6 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.241 0.458 25791 2079 1 6 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.450 0.736 25791 2080 1 6 . 1 1 18 18 GLN H H 18 8.451 8.451 7.926 0.525 25791 2081 1 6 . 1 1 19 19 PHE N N 19 117.940 117.940 118.978 -1.038 25791 2082 1 6 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.438 0.392 25791 2083 1 6 . 1 1 19 19 PHE C C 19 177.858 177.858 178.320 -0.462 25791 2084 1 6 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.708 -1.679 25791 2085 1 6 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.119 -2.214 25791 2086 1 6 . 1 1 19 19 PHE H H 19 8.924 8.924 8.820 0.104 25791 2087 1 6 . 1 1 20 20 GLN N N 20 120.297 120.297 119.326 0.971 25791 2088 1 6 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.969 0.137 25791 2089 1 6 . 1 1 20 20 GLN C C 20 178.986 178.986 178.680 0.306 25791 2090 1 6 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.709 -0.146 25791 2091 1 6 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.573 -0.678 25791 2092 1 6 . 1 1 20 20 GLN H H 20 8.264 8.264 8.292 -0.028 25791 2093 1 6 . 1 1 21 21 GLN N N 21 118.595 118.595 118.893 -0.298 25791 2094 1 6 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.109 -0.027 25791 2095 1 6 . 1 1 21 21 GLN C C 21 178.806 178.806 178.558 0.248 25791 2096 1 6 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.560 0.610 25791 2097 1 6 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.508 -0.312 25791 2098 1 6 . 1 1 21 21 GLN H H 21 8.527 8.527 8.399 0.128 25791 2099 1 6 . 1 1 22 22 TYR N N 22 119.594 119.594 121.424 -1.830 25791 2100 1 6 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.134 0.113 25791 2101 1 6 . 1 1 22 22 TYR C C 22 177.789 177.789 177.077 0.712 25791 2102 1 6 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.937 0.775 25791 2103 1 6 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.284 0.440 25791 2104 1 6 . 1 1 22 22 TYR H H 22 7.843 7.843 8.287 -0.444 25791 2105 1 6 . 1 1 23 23 ALA N N 23 120.663 120.663 121.131 -0.468 25791 2106 1 6 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.819 0.038 25791 2107 1 6 . 1 1 23 23 ALA C C 23 179.319 179.319 178.857 0.462 25791 2108 1 6 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.956 0.633 25791 2109 1 6 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.199 0.283 25791 2110 1 6 . 1 1 23 23 ALA H H 23 8.612 8.612 8.702 -0.090 25791 2111 1 6 . 1 1 24 24 ALA N N 24 119.002 119.002 121.112 -2.110 25791 2112 1 6 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.102 -0.164 25791 2113 1 6 . 1 1 24 24 ALA C C 24 178.987 178.987 179.111 -0.124 25791 2114 1 6 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.490 -0.173 25791 2115 1 6 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.826 -0.935 25791 2116 1 6 . 1 1 24 24 ALA H H 24 8.168 8.168 8.149 0.019 25791 2117 1 6 . 1 1 25 25 GLN N N 25 115.599 115.599 116.439 -0.840 25791 2118 1 6 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.055 -0.051 25791 2119 1 6 . 1 1 25 25 GLN C C 25 177.818 177.818 177.852 -0.034 25791 2120 1 6 . 1 1 25 25 GLN CA C 25 57.454 57.454 57.906 -0.452 25791 2121 1 6 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.665 -0.210 25791 2122 1 6 . 1 1 25 25 GLN H H 25 7.300 7.300 7.736 -0.436 25791 2123 1 6 . 1 1 26 26 GLN N N 26 116.989 116.989 117.490 -0.501 25791 2124 1 6 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.893 -0.189 25791 2125 1 6 . 1 1 26 26 GLN C C 26 175.979 175.979 175.794 0.185 25791 2126 1 6 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.790 -0.002 25791 2127 1 6 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.637 -0.557 25791 2128 1 6 . 1 1 26 26 GLN H H 26 7.401 7.401 7.535 -0.134 25791 2129 1 6 . 1 1 27 27 TYR N N 27 114.712 114.712 118.086 -3.374 25791 2130 1 6 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.879 0.199 25791 2131 1 6 . 1 1 27 27 TYR C C 27 172.931 172.931 173.685 -0.754 25791 2132 1 6 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.792 0.375 25791 2133 1 6 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.452 1.208 25791 2134 1 6 . 1 1 27 27 TYR H H 27 7.675 7.675 8.056 -0.381 25791 2135 1 6 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.403 -0.041 25791 2136 1 6 . 1 1 28 28 PRO C C 28 179.333 179.333 177.825 1.508 25791 2137 1 6 . 1 1 28 28 PRO CA C 28 64.394 64.394 64.081 0.313 25791 2138 1 6 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.392 -1.138 25791 2139 1 6 . 1 1 29 29 GLY N N 29 110.091 110.091 112.809 -2.718 25791 2140 1 6 . 1 1 29 29 GLY C C 29 173.218 173.218 174.785 -1.567 25791 2141 1 6 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.355 0.557 25791 2142 1 6 . 1 1 29 29 GLY H H 29 8.826 8.826 8.759 0.067 25791 2143 1 6 . 1 1 30 30 ASN N N 30 118.603 118.603 122.417 -3.814 25791 2144 1 6 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.969 0.030 25791 2145 1 6 . 1 1 30 30 ASN C C 30 173.977 173.977 175.098 -1.121 25791 2146 1 6 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.482 -0.297 25791 2147 1 6 . 1 1 30 30 ASN CB C 30 38.426 38.426 37.625 0.801 25791 2148 1 6 . 1 1 30 30 ASN H H 30 7.293 7.293 7.696 -0.403 25791 2149 1 6 . 1 1 31 31 TYR N N 31 125.240 125.240 126.777 -1.537 25791 2150 1 6 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.057 -0.159 25791 2151 1 6 . 1 1 31 31 TYR C C 31 177.343 177.343 176.936 0.407 25791 2152 1 6 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.705 -0.894 25791 2153 1 6 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.755 -0.398 25791 2154 1 6 . 1 1 31 31 TYR H H 31 8.509 8.509 7.914 0.595 25791 2155 1 6 . 1 1 32 32 GLU N N 32 118.993 118.993 117.938 1.055 25791 2156 1 6 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.785 0.115 25791 2157 1 6 . 1 1 32 32 GLU C C 32 179.549 179.549 178.715 0.834 25791 2158 1 6 . 1 1 32 32 GLU CA C 32 60.112 60.112 60.034 0.078 25791 2159 1 6 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.866 0.302 25791 2160 1 6 . 1 1 32 32 GLU H H 32 8.714 8.714 8.746 -0.032 25791 2161 1 6 . 1 1 33 33 GLN N N 33 117.037 117.037 117.883 -0.846 25791 2162 1 6 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.819 -0.086 25791 2163 1 6 . 1 1 33 33 GLN C C 33 179.119 179.119 178.546 0.573 25791 2164 1 6 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.416 -0.714 25791 2165 1 6 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.684 -0.058 25791 2166 1 6 . 1 1 33 33 GLN H H 33 7.536 7.536 8.319 -0.783 25791 2167 1 6 . 1 1 34 34 GLN N N 34 117.723 117.723 119.681 -1.958 25791 2168 1 6 . 1 1 34 34 GLN HA H 34 3.811 3.811 3.982 -0.171 25791 2169 1 6 . 1 1 34 34 GLN C C 34 177.634 177.634 178.510 -0.876 25791 2170 1 6 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.325 0.840 25791 2171 1 6 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.534 -1.033 25791 2172 1 6 . 1 1 34 34 GLN H H 34 7.968 7.968 8.342 -0.374 25791 2173 1 6 . 1 1 35 35 GLN N N 35 115.293 115.293 118.861 -3.568 25791 2174 1 6 . 1 1 35 35 GLN HA H 35 3.791 3.791 3.933 -0.142 25791 2175 1 6 . 1 1 35 35 GLN C C 35 178.757 178.757 178.587 0.170 25791 2176 1 6 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.464 0.146 25791 2177 1 6 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.174 0.031 25791 2178 1 6 . 1 1 35 35 GLN H H 35 7.870 7.870 7.946 -0.076 25791 2179 1 6 . 1 1 36 36 ILE N N 36 120.769 120.769 120.452 0.317 25791 2180 1 6 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.609 -0.045 25791 2181 1 6 . 1 1 36 36 ILE C C 36 178.273 178.273 178.112 0.161 25791 2182 1 6 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.234 0.002 25791 2183 1 6 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.612 0.761 25791 2184 1 6 . 1 1 36 36 ILE H H 36 7.503 7.503 8.072 -0.569 25791 2185 1 6 . 1 1 37 37 LEU N N 37 121.056 121.056 121.232 -0.176 25791 2186 1 6 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.031 0.278 25791 2187 1 6 . 1 1 37 37 LEU C C 37 178.348 178.348 178.229 0.119 25791 2188 1 6 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.825 -0.091 25791 2189 1 6 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.678 -0.162 25791 2190 1 6 . 1 1 37 37 LEU H H 37 7.678 7.678 7.717 -0.039 25791 2191 1 6 . 1 1 38 38 ILE N N 38 119.334 119.334 119.893 -0.559 25791 2192 1 6 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.442 -0.101 25791 2193 1 6 . 1 1 38 38 ILE C C 38 177.371 177.371 177.985 -0.614 25791 2194 1 6 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.696 1.389 25791 2195 1 6 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.522 0.827 25791 2196 1 6 . 1 1 38 38 ILE H H 38 8.702 8.702 8.302 0.400 25791 2197 1 6 . 1 1 39 39 ARG N N 39 117.798 117.798 119.488 -1.690 25791 2198 1 6 . 1 1 39 39 ARG HA H 39 4.215 4.215 3.949 0.266 25791 2199 1 6 . 1 1 39 39 ARG C C 39 179.555 179.555 178.989 0.566 25791 2200 1 6 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.969 -0.510 25791 2201 1 6 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.850 -0.098 25791 2202 1 6 . 1 1 39 39 ARG H H 39 7.739 7.739 8.279 -0.540 25791 2203 1 6 . 1 1 40 40 GLN N N 40 119.432 119.432 118.703 0.729 25791 2204 1 6 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.093 0.044 25791 2205 1 6 . 1 1 40 40 GLN C C 40 179.522 179.522 178.504 1.018 25791 2206 1 6 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.439 0.821 25791 2207 1 6 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.330 0.028 25791 2208 1 6 . 1 1 40 40 GLN H H 40 7.811 7.811 7.897 -0.086 25791 2209 1 6 . 1 1 41 41 LEU N N 41 121.592 121.592 120.886 0.706 25791 2210 1 6 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.792 -0.105 25791 2211 1 6 . 1 1 41 41 LEU C C 41 178.974 178.974 179.001 -0.027 25791 2212 1 6 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.430 0.533 25791 2213 1 6 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.747 -0.895 25791 2214 1 6 . 1 1 41 41 LEU H H 41 8.648 8.648 8.257 0.391 25791 2215 1 6 . 1 1 42 42 GLN N N 42 119.054 119.054 118.987 0.067 25791 2216 1 6 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.251 0.293 25791 2217 1 6 . 1 1 42 42 GLN C C 42 180.176 180.176 178.836 1.340 25791 2218 1 6 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.570 -0.336 25791 2219 1 6 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.747 -0.827 25791 2220 1 6 . 1 1 42 42 GLN H H 42 8.641 8.641 8.595 0.046 25791 2221 1 6 . 1 1 43 43 GLU N N 43 121.517 121.517 120.772 0.745 25791 2222 1 6 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.076 0.160 25791 2223 1 6 . 1 1 43 43 GLU C C 43 179.721 179.721 179.043 0.678 25791 2224 1 6 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.628 0.039 25791 2225 1 6 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.489 -0.231 25791 2226 1 6 . 1 1 43 43 GLU H H 43 8.111 8.111 8.087 0.024 25791 2227 1 6 . 1 1 44 44 GLN N N 44 119.240 119.240 118.486 0.754 25791 2228 1 6 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.027 0.089 25791 2229 1 6 . 1 1 44 44 GLN C C 44 179.012 179.012 178.310 0.702 25791 2230 1 6 . 1 1 44 44 GLN CA C 44 59.149 59.149 59.202 -0.053 25791 2231 1 6 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.814 0.040 25791 2232 1 6 . 1 1 44 44 GLN H H 44 8.372 8.372 8.189 0.183 25791 2233 1 6 . 1 1 45 45 HIS N N 45 121.705 121.705 120.786 0.919 25791 2234 1 6 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.273 0.007 25791 2235 1 6 . 1 1 45 45 HIS C C 45 176.395 176.395 177.247 -0.852 25791 2236 1 6 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.150 1.209 25791 2237 1 6 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.582 1.743 25791 2238 1 6 . 1 1 45 45 HIS H H 45 9.472 9.472 8.465 1.007 25791 2239 1 6 . 1 1 46 46 TYR N N 46 119.039 119.039 120.241 -1.202 25791 2240 1 6 . 1 1 46 46 TYR HA H 46 3.849 3.849 3.995 -0.146 25791 2241 1 6 . 1 1 46 46 TYR C C 46 176.664 176.664 178.056 -1.392 25791 2242 1 6 . 1 1 46 46 TYR CA C 46 62.251 62.251 62.085 0.166 25791 2243 1 6 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.360 -0.688 25791 2244 1 6 . 1 1 46 46 TYR H H 46 8.253 8.253 8.697 -0.444 25791 2245 1 6 . 1 1 47 47 GLN N N 47 116.407 116.407 117.870 -1.463 25791 2246 1 6 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.784 -0.000 25791 2247 1 6 . 1 1 47 47 GLN C C 47 179.048 179.048 178.357 0.691 25791 2248 1 6 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.212 -0.263 25791 2249 1 6 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.527 -0.346 25791 2250 1 6 . 1 1 47 47 GLN H H 47 7.814 7.814 8.216 -0.402 25791 2251 1 6 . 1 1 48 48 GLN N N 48 119.803 119.803 119.860 -0.057 25791 2252 1 6 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.081 -0.104 25791 2253 1 6 . 1 1 48 48 GLN C C 48 177.741 177.741 178.214 -0.473 25791 2254 1 6 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.309 0.005 25791 2255 1 6 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.357 -0.029 25791 2256 1 6 . 1 1 48 48 GLN H H 48 8.645 8.645 8.366 0.279 25791 2257 1 6 . 1 1 49 49 TYR N N 49 121.342 121.342 121.897 -0.555 25791 2258 1 6 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.183 -0.543 25791 2259 1 6 . 1 1 49 49 TYR C C 49 176.021 176.021 177.307 -1.286 25791 2260 1 6 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.707 0.402 25791 2261 1 6 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.214 0.693 25791 2262 1 6 . 1 1 49 49 TYR H H 49 9.105 9.105 8.837 0.268 25791 2263 1 6 . 1 1 50 50 MET N N 50 115.522 115.522 118.547 -3.025 25791 2264 1 6 . 1 1 50 50 MET HA H 50 4.040 4.040 3.734 0.306 25791 2265 1 6 . 1 1 50 50 MET C C 50 179.841 179.841 178.174 1.667 25791 2266 1 6 . 1 1 50 50 MET CA C 50 56.623 56.623 56.728 -0.105 25791 2267 1 6 . 1 1 50 50 MET CB C 50 30.099 30.099 31.556 -1.457 25791 2268 1 6 . 1 1 50 50 MET H H 50 8.060 8.060 8.223 -0.163 25791 2269 1 6 . 1 1 51 51 GLN N N 51 118.942 118.942 118.923 0.019 25791 2270 1 6 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.907 0.158 25791 2271 1 6 . 1 1 51 51 GLN C C 51 178.707 178.707 178.314 0.393 25791 2272 1 6 . 1 1 51 51 GLN CA C 51 58.941 58.941 58.968 -0.027 25791 2273 1 6 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.188 0.301 25791 2274 1 6 . 1 1 51 51 GLN H H 51 7.830 7.830 8.155 -0.325 25791 2275 1 6 . 1 1 52 52 GLN N N 52 119.210 119.210 119.842 -0.632 25791 2276 1 6 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.032 0.025 25791 2277 1 6 . 1 1 52 52 GLN C C 52 178.738 178.738 178.480 0.258 25791 2278 1 6 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.537 0.212 25791 2279 1 6 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.820 -0.416 25791 2280 1 6 . 1 1 52 52 GLN H H 52 8.187 8.187 8.160 0.027 25791 2281 1 6 . 1 1 53 53 LEU N N 53 121.233 121.233 121.080 0.153 25791 2282 1 6 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.829 0.012 25791 2283 1 6 . 1 1 53 53 LEU C C 53 179.191 179.191 178.068 1.123 25791 2284 1 6 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.688 0.057 25791 2285 1 6 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.282 0.584 25791 2286 1 6 . 1 1 53 53 LEU H H 53 8.441 8.441 8.150 0.291 25791 2287 1 6 . 1 1 54 54 TYR N N 54 118.505 118.505 119.335 -0.830 25791 2288 1 6 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.912 0.406 25791 2289 1 6 . 1 1 54 54 TYR C C 54 177.535 177.535 177.561 -0.026 25791 2290 1 6 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.165 -1.688 25791 2291 1 6 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.399 -0.613 25791 2292 1 6 . 1 1 54 54 TYR H H 54 7.819 7.819 8.452 -0.633 25791 2293 1 6 . 1 1 55 55 GLN N N 55 117.299 117.299 117.820 -0.521 25791 2294 1 6 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.067 -0.168 25791 2295 1 6 . 1 1 55 55 GLN C C 55 179.041 179.041 178.499 0.542 25791 2296 1 6 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.941 -0.233 25791 2297 1 6 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.735 -0.520 25791 2298 1 6 . 1 1 55 55 GLN H H 55 7.735 7.735 7.676 0.059 25791 2299 1 6 . 1 1 56 56 VAL N N 56 120.879 120.879 120.142 0.737 25791 2300 1 6 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.666 0.126 25791 2301 1 6 . 1 1 56 56 VAL C C 56 178.262 178.262 178.099 0.163 25791 2302 1 6 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.234 -0.292 25791 2303 1 6 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.297 0.582 25791 2304 1 6 . 1 1 56 56 VAL H H 56 8.014 8.014 7.693 0.321 25791 2305 1 6 . 1 1 57 57 GLN N N 57 120.513 120.513 120.074 0.439 25791 2306 1 6 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.997 0.063 25791 2307 1 6 . 1 1 57 57 GLN C C 57 178.772 178.772 178.258 0.514 25791 2308 1 6 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.302 0.314 25791 2309 1 6 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.620 0.365 25791 2310 1 6 . 1 1 57 57 GLN H H 57 8.103 8.103 8.365 -0.262 25791 2311 1 6 . 1 1 58 58 LEU N N 58 121.244 121.244 121.451 -0.207 25791 2312 1 6 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.927 0.078 25791 2313 1 6 . 1 1 58 58 LEU C C 58 179.134 179.134 178.162 0.972 25791 2314 1 6 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.343 0.163 25791 2315 1 6 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.193 0.610 25791 2316 1 6 . 1 1 58 58 LEU H H 58 8.176 8.176 7.920 0.256 25791 2317 1 6 . 1 1 59 59 ALA N N 59 121.608 121.608 121.386 0.222 25791 2318 1 6 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.916 0.249 25791 2319 1 6 . 1 1 59 59 ALA C C 59 180.497 180.497 179.887 0.610 25791 2320 1 6 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.318 -0.736 25791 2321 1 6 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.052 0.001 25791 2322 1 6 . 1 1 59 59 ALA H H 59 7.833 7.833 8.034 -0.201 25791 2323 1 6 . 1 1 60 60 GLN N N 60 118.335 118.335 117.777 0.558 25791 2324 1 6 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.971 0.177 25791 2325 1 6 . 1 1 60 60 GLN C C 60 178.334 178.334 178.911 -0.577 25791 2326 1 6 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.398 -0.421 25791 2327 1 6 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.153 0.282 25791 2328 1 6 . 1 1 60 60 GLN H H 60 8.081 8.081 7.979 0.102 25791 2329 1 6 . 1 1 61 61 GLN N N 61 120.206 120.206 119.889 0.317 25791 2330 1 6 . 1 1 61 61 GLN HA H 61 4.162 4.162 4.021 0.141 25791 2331 1 6 . 1 1 61 61 GLN C C 61 178.002 178.002 178.641 -0.639 25791 2332 1 6 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.533 -0.628 25791 2333 1 6 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.250 0.330 25791 2334 1 6 . 1 1 61 61 GLN H H 61 8.111 8.111 8.166 -0.055 25791 2335 1 6 . 1 1 62 62 GLN N N 62 118.980 118.980 119.600 -0.620 25791 2336 1 6 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.054 0.075 25791 2337 1 6 . 1 1 62 62 GLN C C 62 177.624 177.624 178.218 -0.594 25791 2338 1 6 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.849 -1.213 25791 2339 1 6 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.873 -0.237 25791 2340 1 6 . 1 1 62 62 GLN H H 62 8.203 8.203 8.541 -0.338 25791 2341 1 6 . 1 1 63 63 ALA N N 63 122.712 122.712 121.867 0.845 25791 2342 1 6 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.167 0.039 25791 2343 1 6 . 1 1 63 63 ALA C C 63 178.922 178.922 178.706 0.216 25791 2344 1 6 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.361 -0.465 25791 2345 1 6 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.189 0.270 25791 2346 1 6 . 1 1 63 63 ALA H H 63 8.004 8.004 7.955 0.049 25791 2347 1 6 . 1 1 64 64 ALA N N 64 120.813 120.813 120.944 -0.131 25791 2348 1 6 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.152 0.080 25791 2349 1 6 . 1 1 64 64 ALA C C 64 178.732 178.732 178.800 -0.068 25791 2350 1 6 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.068 -0.552 25791 2351 1 6 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.159 -0.529 25791 2352 1 6 . 1 1 64 64 ALA H H 64 7.837 7.837 7.727 0.110 25791 2353 1 6 . 1 1 65 65 LEU N N 65 119.196 119.196 119.382 -0.186 25791 2354 1 6 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.209 0.048 25791 2355 1 6 . 1 1 65 65 LEU C C 65 178.038 178.038 177.813 0.225 25791 2356 1 6 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.337 -0.515 25791 2357 1 6 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.174 0.090 25791 2358 1 6 . 1 1 65 65 LEU H H 65 7.765 7.765 7.854 -0.089 25791 2359 1 6 . 1 1 66 66 GLN N N 66 119.365 119.365 115.335 4.030 25791 2360 1 6 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.856 0.419 25791 2361 1 6 . 1 1 66 66 GLN C C 66 176.120 176.120 174.966 1.154 25791 2362 1 6 . 1 1 66 66 GLN CA C 66 56.067 56.067 56.842 -0.775 25791 2363 1 6 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.703 2.429 25791 2364 1 6 . 1 1 66 66 GLN H H 66 7.967 7.967 8.354 -0.387 25791 2365 1 6 . 1 1 67 67 LYS N N 67 121.521 121.521 119.449 2.072 25791 2366 1 6 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.575 -0.266 25791 2367 1 6 . 1 1 67 67 LYS C C 67 176.437 176.437 176.093 0.344 25791 2368 1 6 . 1 1 67 67 LYS CA C 67 56.389 56.389 56.212 0.177 25791 2369 1 6 . 1 1 67 67 LYS CB C 67 33.041 33.041 32.961 0.080 25791 2370 1 6 . 1 1 67 67 LYS H H 67 8.053 8.053 8.336 -0.283 25791 2371 1 6 . 1 1 68 68 GLN N N 68 121.970 121.970 119.903 2.067 25791 2372 1 6 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.470 -0.131 25791 2373 1 6 . 1 1 68 68 GLN C C 68 175.120 175.120 174.743 0.377 25791 2374 1 6 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.810 0.190 25791 2375 1 6 . 1 1 68 68 GLN CB C 68 29.498 29.498 28.712 0.785 25791 2376 1 6 . 1 1 68 68 GLN H H 68 8.314 8.314 8.382 -0.068 25791 2377 1 7 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.154 0.293 25791 2378 1 7 . 1 1 2 2 GLN C C 2 176.144 176.144 177.303 -1.159 25791 2379 1 7 . 1 1 2 2 GLN CA C 2 56.209 56.209 58.092 -1.883 25791 2380 1 7 . 1 1 2 2 GLN CB C 2 29.459 29.459 27.923 1.536 25791 2381 1 7 . 1 1 3 3 GLN N N 3 122.052 122.052 120.428 1.624 25791 2382 1 7 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.097 0.226 25791 2383 1 7 . 1 1 3 3 GLN C C 3 176.988 176.988 177.831 -0.843 25791 2384 1 7 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.693 -1.290 25791 2385 1 7 . 1 1 3 3 GLN CB C 3 29.239 29.239 27.683 1.556 25791 2386 1 7 . 1 1 3 3 GLN H H 3 8.780 8.780 8.607 0.173 25791 2387 1 7 . 1 1 4 4 LYS N N 4 121.855 121.855 120.532 1.323 25791 2388 1 7 . 1 1 4 4 LYS HA H 4 4.004 4.004 3.991 0.013 25791 2389 1 7 . 1 1 4 4 LYS C C 4 177.638 177.638 178.384 -0.746 25791 2390 1 7 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.328 0.911 25791 2391 1 7 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.154 0.545 25791 2392 1 7 . 1 1 4 4 LYS H H 4 8.528 8.528 7.806 0.722 25791 2393 1 7 . 1 1 5 5 GLN N N 5 116.397 116.397 117.670 -1.273 25791 2394 1 7 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.877 0.064 25791 2395 1 7 . 1 1 5 5 GLN C C 5 178.761 178.761 178.376 0.385 25791 2396 1 7 . 1 1 5 5 GLN CA C 5 59.349 59.349 59.095 0.254 25791 2397 1 7 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.443 -0.493 25791 2398 1 7 . 1 1 5 5 GLN H H 5 8.223 8.223 7.957 0.266 25791 2399 1 7 . 1 1 6 6 GLN N N 6 119.262 119.262 118.731 0.531 25791 2400 1 7 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.113 0.015 25791 2401 1 7 . 1 1 6 6 GLN C C 6 179.018 179.018 178.291 0.727 25791 2402 1 7 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.477 0.612 25791 2403 1 7 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.082 0.628 25791 2404 1 7 . 1 1 6 6 GLN H H 6 7.848 7.848 7.755 0.093 25791 2405 1 7 . 1 1 7 7 ILE N N 7 121.296 121.296 121.653 -0.357 25791 2406 1 7 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.801 -0.218 25791 2407 1 7 . 1 1 7 7 ILE C C 7 177.833 177.833 178.090 -0.257 25791 2408 1 7 . 1 1 7 7 ILE CA C 7 65.129 65.129 63.176 1.953 25791 2409 1 7 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.082 1.124 25791 2410 1 7 . 1 1 7 7 ILE H H 7 8.095 8.095 7.308 0.787 25791 2411 1 7 . 1 1 8 8 MET N N 8 117.603 117.603 118.639 -1.036 25791 2412 1 7 . 1 1 8 8 MET HA H 8 3.985 3.985 4.023 -0.038 25791 2413 1 7 . 1 1 8 8 MET C C 8 177.355 177.355 178.818 -1.463 25791 2414 1 7 . 1 1 8 8 MET CA C 8 59.932 59.932 59.608 0.324 25791 2415 1 7 . 1 1 8 8 MET CB C 8 32.721 32.721 31.936 0.785 25791 2416 1 7 . 1 1 8 8 MET H H 8 8.672 8.672 8.373 0.299 25791 2417 1 7 . 1 1 9 9 ALA N N 9 118.774 118.774 121.700 -2.926 25791 2418 1 7 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.033 0.013 25791 2419 1 7 . 1 1 9 9 ALA C C 9 180.546 180.546 179.233 1.313 25791 2420 1 7 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.163 0.222 25791 2421 1 7 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.903 -0.005 25791 2422 1 7 . 1 1 9 9 ALA H H 9 7.795 7.795 7.987 -0.192 25791 2423 1 7 . 1 1 10 10 ALA N N 10 120.854 120.854 121.850 -0.996 25791 2424 1 7 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.074 0.131 25791 2425 1 7 . 1 1 10 10 ALA C C 10 181.200 181.200 179.402 1.798 25791 2426 1 7 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.648 0.364 25791 2427 1 7 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.473 0.788 25791 2428 1 7 . 1 1 10 10 ALA H H 10 7.438 7.438 7.750 -0.312 25791 2429 1 7 . 1 1 11 11 LEU N N 11 120.775 120.775 118.928 1.847 25791 2430 1 7 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.766 -0.018 25791 2431 1 7 . 1 1 11 11 LEU C C 11 179.041 179.041 179.268 -0.227 25791 2432 1 7 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.981 0.365 25791 2433 1 7 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.142 -1.165 25791 2434 1 7 . 1 1 11 11 LEU H H 11 8.757 8.757 8.674 0.083 25791 2435 1 7 . 1 1 12 12 ASN N N 12 116.313 116.313 118.135 -1.822 25791 2436 1 7 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.493 0.071 25791 2437 1 7 . 1 1 12 12 ASN C C 12 178.900 178.900 177.722 1.178 25791 2438 1 7 . 1 1 12 12 ASN CA C 12 54.065 54.065 56.537 -2.472 25791 2439 1 7 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.504 -1.511 25791 2440 1 7 . 1 1 12 12 ASN H H 12 8.850 8.850 8.476 0.374 25791 2441 1 7 . 1 1 13 13 SER N N 13 114.747 114.747 115.646 -0.899 25791 2442 1 7 . 1 1 13 13 SER HA H 13 4.370 4.370 4.187 0.183 25791 2443 1 7 . 1 1 13 13 SER C C 13 176.515 176.515 176.726 -0.211 25791 2444 1 7 . 1 1 13 13 SER CA C 13 61.141 61.141 61.787 -0.646 25791 2445 1 7 . 1 1 13 13 SER CB C 13 63.044 63.044 63.198 -0.154 25791 2446 1 7 . 1 1 13 13 SER H H 13 7.672 7.672 7.926 -0.254 25791 2447 1 7 . 1 1 14 14 GLN N N 14 119.954 119.954 118.164 1.790 25791 2448 1 7 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.232 -0.014 25791 2449 1 7 . 1 1 14 14 GLN C C 14 178.208 178.208 177.075 1.133 25791 2450 1 7 . 1 1 14 14 GLN CA C 14 57.749 57.749 58.217 -0.468 25791 2451 1 7 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.729 -0.029 25791 2452 1 7 . 1 1 14 14 GLN H H 14 7.573 7.573 7.866 -0.293 25791 2453 1 7 . 1 1 15 15 THR N N 15 107.493 107.493 108.029 -0.536 25791 2454 1 7 . 1 1 15 15 THR HA H 15 3.899 3.899 4.378 -0.479 25791 2455 1 7 . 1 1 15 15 THR C C 15 174.683 174.683 174.440 0.243 25791 2456 1 7 . 1 1 15 15 THR CA C 15 61.551 61.551 60.639 0.912 25791 2457 1 7 . 1 1 15 15 THR CB C 15 69.226 69.226 69.496 -0.270 25791 2458 1 7 . 1 1 15 15 THR H H 15 7.741 7.741 7.448 0.293 25791 2459 1 7 . 1 1 16 16 ALA N N 16 124.034 124.034 126.272 -2.238 25791 2460 1 7 . 1 1 16 16 ALA HA H 16 4.135 4.135 3.985 0.150 25791 2461 1 7 . 1 1 16 16 ALA C C 16 179.899 179.899 178.475 1.424 25791 2462 1 7 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.756 0.451 25791 2463 1 7 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.065 0.659 25791 2464 1 7 . 1 1 16 16 ALA H H 16 6.873 6.873 7.231 -0.358 25791 2465 1 7 . 1 1 17 17 VAL N N 17 117.150 117.150 118.092 -0.942 25791 2466 1 7 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.698 0.016 25791 2467 1 7 . 1 1 17 17 VAL C C 17 178.537 178.537 177.359 1.178 25791 2468 1 7 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.311 1.197 25791 2469 1 7 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.567 0.126 25791 2470 1 7 . 1 1 17 17 VAL H H 17 8.162 8.162 8.373 -0.211 25791 2471 1 7 . 1 1 18 18 GLN N N 18 119.489 119.489 119.810 -0.321 25791 2472 1 7 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.028 0.029 25791 2473 1 7 . 1 1 18 18 GLN C C 18 180.429 180.429 178.964 1.465 25791 2474 1 7 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.215 0.484 25791 2475 1 7 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.446 0.740 25791 2476 1 7 . 1 1 18 18 GLN H H 18 8.451 8.451 8.031 0.420 25791 2477 1 7 . 1 1 19 19 PHE N N 19 117.940 117.940 118.510 -0.570 25791 2478 1 7 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.519 0.311 25791 2479 1 7 . 1 1 19 19 PHE C C 19 177.858 177.858 178.224 -0.366 25791 2480 1 7 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.144 -1.115 25791 2481 1 7 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.259 -2.354 25791 2482 1 7 . 1 1 19 19 PHE H H 19 8.924 8.924 8.738 0.186 25791 2483 1 7 . 1 1 20 20 GLN N N 20 120.297 120.297 119.699 0.598 25791 2484 1 7 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.972 0.134 25791 2485 1 7 . 1 1 20 20 GLN C C 20 178.986 178.986 178.632 0.354 25791 2486 1 7 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.692 -0.129 25791 2487 1 7 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.579 -0.684 25791 2488 1 7 . 1 1 20 20 GLN H H 20 8.264 8.264 8.182 0.082 25791 2489 1 7 . 1 1 21 21 GLN N N 21 118.595 118.595 118.766 -0.171 25791 2490 1 7 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.101 -0.019 25791 2491 1 7 . 1 1 21 21 GLN C C 21 178.806 178.806 178.592 0.214 25791 2492 1 7 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.643 0.527 25791 2493 1 7 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.510 -0.314 25791 2494 1 7 . 1 1 21 21 GLN H H 21 8.527 8.527 8.481 0.046 25791 2495 1 7 . 1 1 22 22 TYR N N 22 119.594 119.594 121.713 -2.119 25791 2496 1 7 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.478 -0.231 25791 2497 1 7 . 1 1 22 22 TYR C C 22 177.789 177.789 177.382 0.407 25791 2498 1 7 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.361 1.351 25791 2499 1 7 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.380 0.344 25791 2500 1 7 . 1 1 22 22 TYR H H 22 7.843 7.843 7.867 -0.024 25791 2501 1 7 . 1 1 23 23 ALA N N 23 120.663 120.663 121.433 -0.770 25791 2502 1 7 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.809 0.048 25791 2503 1 7 . 1 1 23 23 ALA C C 23 179.319 179.319 178.713 0.606 25791 2504 1 7 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.959 0.630 25791 2505 1 7 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.128 0.354 25791 2506 1 7 . 1 1 23 23 ALA H H 23 8.612 8.612 8.695 -0.083 25791 2507 1 7 . 1 1 24 24 ALA N N 24 119.002 119.002 120.420 -1.418 25791 2508 1 7 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.078 -0.140 25791 2509 1 7 . 1 1 24 24 ALA C C 24 178.987 178.987 179.176 -0.189 25791 2510 1 7 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.192 0.125 25791 2511 1 7 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.472 -0.581 25791 2512 1 7 . 1 1 24 24 ALA H H 24 8.168 8.168 7.960 0.208 25791 2513 1 7 . 1 1 25 25 GLN N N 25 115.599 115.599 117.076 -1.477 25791 2514 1 7 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.009 -0.005 25791 2515 1 7 . 1 1 25 25 GLN C C 25 177.818 177.818 178.369 -0.551 25791 2516 1 7 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.065 -0.611 25791 2517 1 7 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.838 -0.383 25791 2518 1 7 . 1 1 25 25 GLN H H 25 7.300 7.300 7.493 -0.193 25791 2519 1 7 . 1 1 26 26 GLN N N 26 116.989 116.989 116.436 0.553 25791 2520 1 7 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.832 -0.128 25791 2521 1 7 . 1 1 26 26 GLN C C 26 175.979 175.979 176.067 -0.088 25791 2522 1 7 . 1 1 26 26 GLN CA C 26 56.788 56.788 57.083 -0.295 25791 2523 1 7 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.443 -0.363 25791 2524 1 7 . 1 1 26 26 GLN H H 26 7.401 7.401 7.459 -0.058 25791 2525 1 7 . 1 1 27 27 TYR N N 27 114.712 114.712 117.666 -2.954 25791 2526 1 7 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.879 0.199 25791 2527 1 7 . 1 1 27 27 TYR C C 27 172.931 172.931 173.667 -0.736 25791 2528 1 7 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.677 0.490 25791 2529 1 7 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.338 1.322 25791 2530 1 7 . 1 1 27 27 TYR H H 27 7.675 7.675 8.058 -0.383 25791 2531 1 7 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.344 0.018 25791 2532 1 7 . 1 1 28 28 PRO C C 28 179.333 179.333 177.983 1.350 25791 2533 1 7 . 1 1 28 28 PRO CA C 28 64.394 64.394 64.163 0.230 25791 2534 1 7 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.302 -1.048 25791 2535 1 7 . 1 1 29 29 GLY N N 29 110.091 110.091 112.401 -2.310 25791 2536 1 7 . 1 1 29 29 GLY C C 29 173.218 173.218 174.536 -1.318 25791 2537 1 7 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.358 0.554 25791 2538 1 7 . 1 1 29 29 GLY H H 29 8.826 8.826 8.672 0.154 25791 2539 1 7 . 1 1 30 30 ASN N N 30 118.603 118.603 121.133 -2.530 25791 2540 1 7 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.961 0.038 25791 2541 1 7 . 1 1 30 30 ASN C C 30 173.977 173.977 175.352 -1.375 25791 2542 1 7 . 1 1 30 30 ASN CA C 30 51.185 51.185 50.915 0.270 25791 2543 1 7 . 1 1 30 30 ASN CB C 30 38.426 38.426 38.608 -0.182 25791 2544 1 7 . 1 1 30 30 ASN H H 30 7.293 7.293 7.685 -0.392 25791 2545 1 7 . 1 1 31 31 TYR N N 31 125.240 125.240 126.914 -1.674 25791 2546 1 7 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.071 -0.173 25791 2547 1 7 . 1 1 31 31 TYR C C 31 177.343 177.343 176.684 0.659 25791 2548 1 7 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.454 -0.643 25791 2549 1 7 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.743 -0.386 25791 2550 1 7 . 1 1 31 31 TYR H H 31 8.509 8.509 8.068 0.441 25791 2551 1 7 . 1 1 32 32 GLU N N 32 118.993 118.993 117.969 1.024 25791 2552 1 7 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.872 0.028 25791 2553 1 7 . 1 1 32 32 GLU C C 32 179.549 179.549 178.694 0.855 25791 2554 1 7 . 1 1 32 32 GLU CA C 32 60.112 60.112 60.055 0.057 25791 2555 1 7 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.877 0.291 25791 2556 1 7 . 1 1 32 32 GLU H H 32 8.714 8.714 8.715 -0.001 25791 2557 1 7 . 1 1 33 33 GLN N N 33 117.037 117.037 118.012 -0.975 25791 2558 1 7 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.808 -0.075 25791 2559 1 7 . 1 1 33 33 GLN C C 33 179.119 179.119 178.530 0.589 25791 2560 1 7 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.507 -0.805 25791 2561 1 7 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.638 -0.012 25791 2562 1 7 . 1 1 33 33 GLN H H 33 7.536 7.536 8.341 -0.805 25791 2563 1 7 . 1 1 34 34 GLN N N 34 117.723 117.723 119.455 -1.732 25791 2564 1 7 . 1 1 34 34 GLN HA H 34 3.811 3.811 3.998 -0.187 25791 2565 1 7 . 1 1 34 34 GLN C C 34 177.634 177.634 178.514 -0.880 25791 2566 1 7 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.354 0.811 25791 2567 1 7 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.506 -1.005 25791 2568 1 7 . 1 1 34 34 GLN H H 34 7.968 7.968 8.210 -0.242 25791 2569 1 7 . 1 1 35 35 GLN N N 35 115.293 115.293 118.797 -3.504 25791 2570 1 7 . 1 1 35 35 GLN HA H 35 3.791 3.791 3.953 -0.162 25791 2571 1 7 . 1 1 35 35 GLN C C 35 178.757 178.757 178.592 0.165 25791 2572 1 7 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.320 0.290 25791 2573 1 7 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.186 0.019 25791 2574 1 7 . 1 1 35 35 GLN H H 35 7.870 7.870 7.801 0.069 25791 2575 1 7 . 1 1 36 36 ILE N N 36 120.769 120.769 120.693 0.076 25791 2576 1 7 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.605 -0.041 25791 2577 1 7 . 1 1 36 36 ILE C C 36 178.273 178.273 178.067 0.206 25791 2578 1 7 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.261 -0.025 25791 2579 1 7 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.606 0.767 25791 2580 1 7 . 1 1 36 36 ILE H H 36 7.503 7.503 8.181 -0.678 25791 2581 1 7 . 1 1 37 37 LEU N N 37 121.056 121.056 121.297 -0.241 25791 2582 1 7 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.012 0.297 25791 2583 1 7 . 1 1 37 37 LEU C C 37 178.348 178.348 178.231 0.117 25791 2584 1 7 . 1 1 37 37 LEU CA C 37 57.734 57.734 58.110 -0.376 25791 2585 1 7 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.857 -0.341 25791 2586 1 7 . 1 1 37 37 LEU H H 37 7.678 7.678 7.799 -0.121 25791 2587 1 7 . 1 1 38 38 ILE N N 38 119.334 119.334 119.711 -0.377 25791 2588 1 7 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.500 -0.159 25791 2589 1 7 . 1 1 38 38 ILE C C 38 177.371 177.371 178.069 -0.698 25791 2590 1 7 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.686 1.399 25791 2591 1 7 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.529 0.820 25791 2592 1 7 . 1 1 38 38 ILE H H 38 8.702 8.702 8.215 0.487 25791 2593 1 7 . 1 1 39 39 ARG N N 39 117.798 117.798 119.328 -1.530 25791 2594 1 7 . 1 1 39 39 ARG HA H 39 4.215 4.215 3.905 0.310 25791 2595 1 7 . 1 1 39 39 ARG C C 39 179.555 179.555 179.077 0.478 25791 2596 1 7 . 1 1 39 39 ARG CA C 39 59.459 59.459 60.133 -0.674 25791 2597 1 7 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.969 -0.217 25791 2598 1 7 . 1 1 39 39 ARG H H 39 7.739 7.739 8.356 -0.617 25791 2599 1 7 . 1 1 40 40 GLN N N 40 119.432 119.432 118.921 0.511 25791 2600 1 7 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.114 0.023 25791 2601 1 7 . 1 1 40 40 GLN C C 40 179.522 179.522 178.675 0.847 25791 2602 1 7 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.425 0.835 25791 2603 1 7 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.291 0.067 25791 2604 1 7 . 1 1 40 40 GLN H H 40 7.811 7.811 7.727 0.084 25791 2605 1 7 . 1 1 41 41 LEU N N 41 121.592 121.592 121.205 0.387 25791 2606 1 7 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.814 -0.127 25791 2607 1 7 . 1 1 41 41 LEU C C 41 178.974 178.974 179.350 -0.376 25791 2608 1 7 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.916 0.047 25791 2609 1 7 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.764 -0.912 25791 2610 1 7 . 1 1 41 41 LEU H H 41 8.648 8.648 8.596 0.052 25791 2611 1 7 . 1 1 42 42 GLN N N 42 119.054 119.054 118.523 0.531 25791 2612 1 7 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.510 0.034 25791 2613 1 7 . 1 1 42 42 GLN C C 42 180.176 180.176 179.115 1.061 25791 2614 1 7 . 1 1 42 42 GLN CA C 42 59.234 59.234 58.665 0.569 25791 2615 1 7 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.404 -0.484 25791 2616 1 7 . 1 1 42 42 GLN H H 42 8.641 8.641 8.673 -0.032 25791 2617 1 7 . 1 1 43 43 GLU N N 43 121.517 121.517 121.998 -0.481 25791 2618 1 7 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.118 0.118 25791 2619 1 7 . 1 1 43 43 GLU C C 43 179.721 179.721 179.003 0.718 25791 2620 1 7 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.786 -0.119 25791 2621 1 7 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.397 -0.139 25791 2622 1 7 . 1 1 43 43 GLU H H 43 8.111 8.111 8.094 0.017 25791 2623 1 7 . 1 1 44 44 GLN N N 44 119.240 119.240 118.952 0.288 25791 2624 1 7 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.263 -0.147 25791 2625 1 7 . 1 1 44 44 GLN C C 44 179.012 179.012 178.415 0.597 25791 2626 1 7 . 1 1 44 44 GLN CA C 44 59.149 59.149 59.017 0.132 25791 2627 1 7 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.858 -0.004 25791 2628 1 7 . 1 1 44 44 GLN H H 44 8.372 8.372 8.175 0.197 25791 2629 1 7 . 1 1 45 45 HIS N N 45 121.705 121.705 120.760 0.945 25791 2630 1 7 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.286 -0.006 25791 2631 1 7 . 1 1 45 45 HIS C C 45 176.395 176.395 177.336 -0.941 25791 2632 1 7 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.213 1.146 25791 2633 1 7 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.564 1.761 25791 2634 1 7 . 1 1 45 45 HIS H H 45 9.472 9.472 8.420 1.052 25791 2635 1 7 . 1 1 46 46 TYR N N 46 119.039 119.039 120.187 -1.148 25791 2636 1 7 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.014 -0.165 25791 2637 1 7 . 1 1 46 46 TYR C C 46 176.664 176.664 178.068 -1.404 25791 2638 1 7 . 1 1 46 46 TYR CA C 46 62.251 62.251 62.038 0.213 25791 2639 1 7 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.417 -0.745 25791 2640 1 7 . 1 1 46 46 TYR H H 46 8.253 8.253 8.649 -0.396 25791 2641 1 7 . 1 1 47 47 GLN N N 47 116.407 116.407 118.174 -1.767 25791 2642 1 7 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.814 -0.030 25791 2643 1 7 . 1 1 47 47 GLN C C 47 179.048 179.048 178.354 0.694 25791 2644 1 7 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.403 -0.454 25791 2645 1 7 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.508 -0.327 25791 2646 1 7 . 1 1 47 47 GLN H H 47 7.814 7.814 8.575 -0.761 25791 2647 1 7 . 1 1 48 48 GLN N N 48 119.803 119.803 119.380 0.423 25791 2648 1 7 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.067 -0.090 25791 2649 1 7 . 1 1 48 48 GLN C C 48 177.741 177.741 178.056 -0.315 25791 2650 1 7 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.373 -0.059 25791 2651 1 7 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.410 -0.082 25791 2652 1 7 . 1 1 48 48 GLN H H 48 8.645 8.645 8.471 0.174 25791 2653 1 7 . 1 1 49 49 TYR N N 49 121.342 121.342 121.896 -0.554 25791 2654 1 7 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.081 -0.441 25791 2655 1 7 . 1 1 49 49 TYR C C 49 176.021 176.021 177.507 -1.486 25791 2656 1 7 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.651 0.458 25791 2657 1 7 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.186 0.721 25791 2658 1 7 . 1 1 49 49 TYR H H 49 9.105 9.105 8.455 0.650 25791 2659 1 7 . 1 1 50 50 MET N N 50 115.522 115.522 118.303 -2.781 25791 2660 1 7 . 1 1 50 50 MET HA H 50 4.040 4.040 3.763 0.277 25791 2661 1 7 . 1 1 50 50 MET C C 50 179.841 179.841 178.325 1.516 25791 2662 1 7 . 1 1 50 50 MET CA C 50 56.623 56.623 56.862 -0.239 25791 2663 1 7 . 1 1 50 50 MET CB C 50 30.099 30.099 31.659 -1.560 25791 2664 1 7 . 1 1 50 50 MET H H 50 8.060 8.060 8.261 -0.201 25791 2665 1 7 . 1 1 51 51 GLN N N 51 118.942 118.942 118.001 0.941 25791 2666 1 7 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.879 0.186 25791 2667 1 7 . 1 1 51 51 GLN C C 51 178.707 178.707 178.671 0.036 25791 2668 1 7 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.239 -0.297 25791 2669 1 7 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.159 0.330 25791 2670 1 7 . 1 1 51 51 GLN H H 51 7.830 7.830 8.104 -0.274 25791 2671 1 7 . 1 1 52 52 GLN N N 52 119.210 119.210 119.439 -0.229 25791 2672 1 7 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.153 -0.096 25791 2673 1 7 . 1 1 52 52 GLN C C 52 178.738 178.738 178.422 0.316 25791 2674 1 7 . 1 1 52 52 GLN CA C 52 58.749 58.749 57.834 0.915 25791 2675 1 7 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.408 -0.005 25791 2676 1 7 . 1 1 52 52 GLN H H 52 8.187 8.187 8.041 0.146 25791 2677 1 7 . 1 1 53 53 LEU N N 53 121.233 121.233 121.696 -0.463 25791 2678 1 7 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.822 0.019 25791 2679 1 7 . 1 1 53 53 LEU C C 53 179.191 179.191 177.913 1.278 25791 2680 1 7 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.735 0.010 25791 2681 1 7 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.209 0.657 25791 2682 1 7 . 1 1 53 53 LEU H H 53 8.441 8.441 8.119 0.322 25791 2683 1 7 . 1 1 54 54 TYR N N 54 118.505 118.505 119.372 -0.867 25791 2684 1 7 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.886 0.432 25791 2685 1 7 . 1 1 54 54 TYR C C 54 177.535 177.535 177.437 0.098 25791 2686 1 7 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.204 -1.727 25791 2687 1 7 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.367 -0.581 25791 2688 1 7 . 1 1 54 54 TYR H H 54 7.819 7.819 8.376 -0.557 25791 2689 1 7 . 1 1 55 55 GLN N N 55 117.299 117.299 117.840 -0.541 25791 2690 1 7 . 1 1 55 55 GLN HA H 55 3.899 3.899 3.994 -0.095 25791 2691 1 7 . 1 1 55 55 GLN C C 55 179.041 179.041 178.392 0.649 25791 2692 1 7 . 1 1 55 55 GLN CA C 55 58.709 58.709 59.100 -0.391 25791 2693 1 7 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.581 -0.366 25791 2694 1 7 . 1 1 55 55 GLN H H 55 7.735 7.735 7.681 0.054 25791 2695 1 7 . 1 1 56 56 VAL N N 56 120.879 120.879 120.068 0.811 25791 2696 1 7 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.599 0.193 25791 2697 1 7 . 1 1 56 56 VAL C C 56 178.262 178.262 177.863 0.399 25791 2698 1 7 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.586 -0.644 25791 2699 1 7 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.491 0.388 25791 2700 1 7 . 1 1 56 56 VAL H H 56 8.014 8.014 7.538 0.476 25791 2701 1 7 . 1 1 57 57 GLN N N 57 120.513 120.513 119.469 1.044 25791 2702 1 7 . 1 1 57 57 GLN HA H 57 4.060 4.060 4.026 0.034 25791 2703 1 7 . 1 1 57 57 GLN C C 57 178.772 178.772 178.389 0.383 25791 2704 1 7 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.276 0.340 25791 2705 1 7 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.813 0.172 25791 2706 1 7 . 1 1 57 57 GLN H H 57 8.103 8.103 8.104 -0.002 25791 2707 1 7 . 1 1 58 58 LEU N N 58 121.244 121.244 121.423 -0.179 25791 2708 1 7 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.913 0.092 25791 2709 1 7 . 1 1 58 58 LEU C C 58 179.134 179.134 177.834 1.300 25791 2710 1 7 . 1 1 58 58 LEU CA C 58 57.506 57.506 56.767 0.738 25791 2711 1 7 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.135 0.669 25791 2712 1 7 . 1 1 58 58 LEU H H 58 8.176 8.176 8.141 0.035 25791 2713 1 7 . 1 1 59 59 ALA N N 59 121.608 121.608 121.785 -0.177 25791 2714 1 7 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.828 0.337 25791 2715 1 7 . 1 1 59 59 ALA C C 59 180.497 180.497 179.669 0.828 25791 2716 1 7 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.239 -0.657 25791 2717 1 7 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.394 -0.341 25791 2718 1 7 . 1 1 59 59 ALA H H 59 7.833 7.833 8.315 -0.482 25791 2719 1 7 . 1 1 60 60 GLN N N 60 118.335 118.335 117.545 0.790 25791 2720 1 7 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.908 0.240 25791 2721 1 7 . 1 1 60 60 GLN C C 60 178.334 178.334 178.456 -0.122 25791 2722 1 7 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.863 -0.886 25791 2723 1 7 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.488 -0.053 25791 2724 1 7 . 1 1 60 60 GLN H H 60 8.081 8.081 7.834 0.247 25791 2725 1 7 . 1 1 61 61 GLN N N 61 120.206 120.206 119.720 0.486 25791 2726 1 7 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.963 0.199 25791 2727 1 7 . 1 1 61 61 GLN C C 61 178.002 178.002 178.469 -0.467 25791 2728 1 7 . 1 1 61 61 GLN CA C 61 57.905 57.905 59.090 -1.185 25791 2729 1 7 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.483 0.096 25791 2730 1 7 . 1 1 61 61 GLN H H 61 8.111 8.111 8.015 0.096 25791 2731 1 7 . 1 1 62 62 GLN N N 62 118.980 118.980 118.547 0.433 25791 2732 1 7 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.090 0.039 25791 2733 1 7 . 1 1 62 62 GLN C C 62 177.624 177.624 178.261 -0.637 25791 2734 1 7 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.409 -0.773 25791 2735 1 7 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.617 0.019 25791 2736 1 7 . 1 1 62 62 GLN H H 62 8.203 8.203 8.506 -0.303 25791 2737 1 7 . 1 1 63 63 ALA N N 63 122.712 122.712 122.440 0.272 25791 2738 1 7 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.112 0.094 25791 2739 1 7 . 1 1 63 63 ALA C C 63 178.922 178.922 178.866 0.056 25791 2740 1 7 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.572 -0.676 25791 2741 1 7 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.210 0.248 25791 2742 1 7 . 1 1 63 63 ALA H H 63 8.004 8.004 8.050 -0.046 25791 2743 1 7 . 1 1 64 64 ALA N N 64 120.813 120.813 121.046 -0.233 25791 2744 1 7 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.208 0.024 25791 2745 1 7 . 1 1 64 64 ALA C C 64 178.732 178.732 179.209 -0.477 25791 2746 1 7 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.279 -0.763 25791 2747 1 7 . 1 1 64 64 ALA CB C 64 18.630 18.630 18.857 -0.227 25791 2748 1 7 . 1 1 64 64 ALA H H 64 7.837 7.837 7.700 0.137 25791 2749 1 7 . 1 1 65 65 LEU N N 65 119.196 119.196 119.090 0.106 25791 2750 1 7 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.278 -0.021 25791 2751 1 7 . 1 1 65 65 LEU C C 65 178.038 178.038 177.318 0.720 25791 2752 1 7 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.280 -0.458 25791 2753 1 7 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.034 0.230 25791 2754 1 7 . 1 1 65 65 LEU H H 65 7.765 7.765 7.788 -0.023 25791 2755 1 7 . 1 1 66 66 GLN N N 66 119.365 119.365 115.118 4.247 25791 2756 1 7 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.972 0.303 25791 2757 1 7 . 1 1 66 66 GLN C C 66 176.120 176.120 175.861 0.259 25791 2758 1 7 . 1 1 66 66 GLN CA C 66 56.067 56.067 57.088 -1.021 25791 2759 1 7 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.170 2.962 25791 2760 1 7 . 1 1 66 66 GLN H H 66 7.967 7.967 8.342 -0.375 25791 2761 1 7 . 1 1 67 67 LYS N N 67 121.521 121.521 117.499 4.022 25791 2762 1 7 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.387 -0.078 25791 2763 1 7 . 1 1 67 67 LYS C C 67 176.437 176.437 175.000 1.437 25791 2764 1 7 . 1 1 67 67 LYS CA C 67 56.389 56.389 56.419 -0.030 25791 2765 1 7 . 1 1 67 67 LYS CB C 67 33.041 33.041 33.400 -0.359 25791 2766 1 7 . 1 1 67 67 LYS H H 67 8.053 8.053 8.227 -0.174 25791 2767 1 7 . 1 1 68 68 GLN N N 68 121.970 121.970 118.830 3.140 25791 2768 1 7 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.480 -0.141 25791 2769 1 7 . 1 1 68 68 GLN C C 68 175.120 175.120 175.837 -0.717 25791 2770 1 7 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.651 0.349 25791 2771 1 7 . 1 1 68 68 GLN CB C 68 29.498 29.498 29.171 0.327 25791 2772 1 7 . 1 1 68 68 GLN H H 68 8.314 8.314 8.105 0.209 25791 2773 1 8 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.200 0.247 25791 2774 1 8 . 1 1 2 2 GLN C C 2 176.144 176.144 178.322 -2.178 25791 2775 1 8 . 1 1 2 2 GLN CA C 2 56.209 56.209 58.991 -2.782 25791 2776 1 8 . 1 1 2 2 GLN CB C 2 29.459 29.459 28.089 1.370 25791 2777 1 8 . 1 1 3 3 GLN N N 3 122.052 122.052 117.691 4.361 25791 2778 1 8 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.294 0.029 25791 2779 1 8 . 1 1 3 3 GLN C C 3 176.988 176.988 178.335 -1.347 25791 2780 1 8 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.661 -1.258 25791 2781 1 8 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.160 1.079 25791 2782 1 8 . 1 1 3 3 GLN H H 3 8.780 8.780 8.469 0.311 25791 2783 1 8 . 1 1 4 4 LYS N N 4 121.855 121.855 119.988 1.867 25791 2784 1 8 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.205 -0.201 25791 2785 1 8 . 1 1 4 4 LYS C C 4 177.638 177.638 178.546 -0.908 25791 2786 1 8 . 1 1 4 4 LYS CA C 4 60.239 60.239 58.773 1.466 25791 2787 1 8 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.424 0.275 25791 2788 1 8 . 1 1 4 4 LYS H H 4 8.528 8.528 7.729 0.799 25791 2789 1 8 . 1 1 5 5 GLN N N 5 116.397 116.397 119.413 -3.016 25791 2790 1 8 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.876 0.065 25791 2791 1 8 . 1 1 5 5 GLN C C 5 178.761 178.761 178.540 0.221 25791 2792 1 8 . 1 1 5 5 GLN CA C 5 59.349 59.349 59.238 0.111 25791 2793 1 8 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.697 -0.747 25791 2794 1 8 . 1 1 5 5 GLN H H 5 8.223 8.223 7.827 0.396 25791 2795 1 8 . 1 1 6 6 GLN N N 6 119.262 119.262 118.695 0.567 25791 2796 1 8 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.081 0.047 25791 2797 1 8 . 1 1 6 6 GLN C C 6 179.018 179.018 178.329 0.689 25791 2798 1 8 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.942 0.147 25791 2799 1 8 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.214 0.496 25791 2800 1 8 . 1 1 6 6 GLN H H 6 7.848 7.848 8.448 -0.600 25791 2801 1 8 . 1 1 7 7 ILE N N 7 121.296 121.296 120.992 0.304 25791 2802 1 8 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.884 -0.301 25791 2803 1 8 . 1 1 7 7 ILE C C 7 177.833 177.833 178.147 -0.314 25791 2804 1 8 . 1 1 7 7 ILE CA C 7 65.129 65.129 62.718 2.411 25791 2805 1 8 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.180 1.026 25791 2806 1 8 . 1 1 7 7 ILE H H 7 8.095 8.095 7.250 0.845 25791 2807 1 8 . 1 1 8 8 MET N N 8 117.603 117.603 118.962 -1.359 25791 2808 1 8 . 1 1 8 8 MET HA H 8 3.985 3.985 4.082 -0.097 25791 2809 1 8 . 1 1 8 8 MET C C 8 177.355 177.355 178.616 -1.261 25791 2810 1 8 . 1 1 8 8 MET CA C 8 59.932 59.932 59.515 0.417 25791 2811 1 8 . 1 1 8 8 MET CB C 8 32.721 32.721 31.982 0.740 25791 2812 1 8 . 1 1 8 8 MET H H 8 8.672 8.672 8.314 0.358 25791 2813 1 8 . 1 1 9 9 ALA N N 9 118.774 118.774 121.748 -2.974 25791 2814 1 8 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.010 0.036 25791 2815 1 8 . 1 1 9 9 ALA C C 9 180.546 180.546 179.242 1.304 25791 2816 1 8 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.268 0.117 25791 2817 1 8 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.920 -0.022 25791 2818 1 8 . 1 1 9 9 ALA H H 9 7.795 7.795 8.463 -0.668 25791 2819 1 8 . 1 1 10 10 ALA N N 10 120.854 120.854 121.335 -0.481 25791 2820 1 8 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.043 0.162 25791 2821 1 8 . 1 1 10 10 ALA C C 10 181.200 181.200 179.526 1.674 25791 2822 1 8 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.663 0.349 25791 2823 1 8 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.433 0.828 25791 2824 1 8 . 1 1 10 10 ALA H H 10 7.438 7.438 7.538 -0.100 25791 2825 1 8 . 1 1 11 11 LEU N N 11 120.775 120.775 118.504 2.271 25791 2826 1 8 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.765 -0.017 25791 2827 1 8 . 1 1 11 11 LEU C C 11 179.041 179.041 179.293 -0.252 25791 2828 1 8 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.705 0.641 25791 2829 1 8 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.292 -1.315 25791 2830 1 8 . 1 1 11 11 LEU H H 11 8.757 8.757 8.584 0.173 25791 2831 1 8 . 1 1 12 12 ASN N N 12 116.313 116.313 117.728 -1.415 25791 2832 1 8 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.580 -0.016 25791 2833 1 8 . 1 1 12 12 ASN C C 12 178.900 178.900 177.806 1.094 25791 2834 1 8 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.617 -1.552 25791 2835 1 8 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.085 -1.092 25791 2836 1 8 . 1 1 12 12 ASN H H 12 8.850 8.850 8.385 0.465 25791 2837 1 8 . 1 1 13 13 SER N N 13 114.747 114.747 116.480 -1.733 25791 2838 1 8 . 1 1 13 13 SER HA H 13 4.370 4.370 4.135 0.235 25791 2839 1 8 . 1 1 13 13 SER C C 13 176.515 176.515 176.932 -0.417 25791 2840 1 8 . 1 1 13 13 SER CA C 13 61.141 61.141 61.466 -0.325 25791 2841 1 8 . 1 1 13 13 SER CB C 13 63.044 63.044 63.212 -0.168 25791 2842 1 8 . 1 1 13 13 SER H H 13 7.672 7.672 8.212 -0.540 25791 2843 1 8 . 1 1 14 14 GLN N N 14 119.954 119.954 117.821 2.133 25791 2844 1 8 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.186 0.032 25791 2845 1 8 . 1 1 14 14 GLN C C 14 178.208 178.208 176.605 1.603 25791 2846 1 8 . 1 1 14 14 GLN CA C 14 57.749 57.749 57.896 -0.147 25791 2847 1 8 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.775 -0.075 25791 2848 1 8 . 1 1 14 14 GLN H H 14 7.573 7.573 7.844 -0.271 25791 2849 1 8 . 1 1 15 15 THR N N 15 107.493 107.493 106.941 0.552 25791 2850 1 8 . 1 1 15 15 THR HA H 15 3.899 3.899 4.354 -0.455 25791 2851 1 8 . 1 1 15 15 THR C C 15 174.683 174.683 174.385 0.298 25791 2852 1 8 . 1 1 15 15 THR CA C 15 61.551 61.551 60.151 1.399 25791 2853 1 8 . 1 1 15 15 THR CB C 15 69.226 69.226 69.216 0.010 25791 2854 1 8 . 1 1 15 15 THR H H 15 7.741 7.741 7.182 0.559 25791 2855 1 8 . 1 1 16 16 ALA N N 16 124.034 124.034 125.964 -1.930 25791 2856 1 8 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.023 0.112 25791 2857 1 8 . 1 1 16 16 ALA C C 16 179.899 179.899 178.559 1.340 25791 2858 1 8 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.563 0.644 25791 2859 1 8 . 1 1 16 16 ALA CB C 16 18.724 18.724 17.922 0.802 25791 2860 1 8 . 1 1 16 16 ALA H H 16 6.873 6.873 7.422 -0.549 25791 2861 1 8 . 1 1 17 17 VAL N N 17 117.150 117.150 117.750 -0.600 25791 2862 1 8 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.778 -0.064 25791 2863 1 8 . 1 1 17 17 VAL C C 17 178.537 178.537 177.406 1.131 25791 2864 1 8 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.114 1.394 25791 2865 1 8 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.290 0.403 25791 2866 1 8 . 1 1 17 17 VAL H H 17 8.162 8.162 8.440 -0.278 25791 2867 1 8 . 1 1 18 18 GLN N N 18 119.489 119.489 119.673 -0.184 25791 2868 1 8 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.038 0.019 25791 2869 1 8 . 1 1 18 18 GLN C C 18 180.429 180.429 178.887 1.542 25791 2870 1 8 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.364 0.335 25791 2871 1 8 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.455 0.731 25791 2872 1 8 . 1 1 18 18 GLN H H 18 8.451 8.451 7.923 0.528 25791 2873 1 8 . 1 1 19 19 PHE N N 19 117.940 117.940 118.878 -0.938 25791 2874 1 8 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.444 0.386 25791 2875 1 8 . 1 1 19 19 PHE C C 19 177.858 177.858 178.349 -0.491 25791 2876 1 8 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.658 -1.629 25791 2877 1 8 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.139 -2.235 25791 2878 1 8 . 1 1 19 19 PHE H H 19 8.924 8.924 8.682 0.242 25791 2879 1 8 . 1 1 20 20 GLN N N 20 120.297 120.297 119.357 0.940 25791 2880 1 8 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.998 0.108 25791 2881 1 8 . 1 1 20 20 GLN C C 20 178.986 178.986 178.690 0.296 25791 2882 1 8 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.637 -0.074 25791 2883 1 8 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.594 -0.699 25791 2884 1 8 . 1 1 20 20 GLN H H 20 8.264 8.264 8.093 0.171 25791 2885 1 8 . 1 1 21 21 GLN N N 21 118.595 118.595 118.988 -0.393 25791 2886 1 8 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.098 -0.016 25791 2887 1 8 . 1 1 21 21 GLN C C 21 178.806 178.806 178.616 0.190 25791 2888 1 8 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.735 0.435 25791 2889 1 8 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.566 -0.370 25791 2890 1 8 . 1 1 21 21 GLN H H 21 8.527 8.527 8.411 0.116 25791 2891 1 8 . 1 1 22 22 TYR N N 22 119.594 119.594 121.750 -2.156 25791 2892 1 8 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.318 -0.071 25791 2893 1 8 . 1 1 22 22 TYR C C 22 177.789 177.789 177.450 0.339 25791 2894 1 8 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.498 1.214 25791 2895 1 8 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.450 0.274 25791 2896 1 8 . 1 1 22 22 TYR H H 22 7.843 7.843 8.113 -0.270 25791 2897 1 8 . 1 1 23 23 ALA N N 23 120.663 120.663 121.474 -0.811 25791 2898 1 8 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.833 0.024 25791 2899 1 8 . 1 1 23 23 ALA C C 23 179.319 179.319 178.725 0.594 25791 2900 1 8 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.942 0.647 25791 2901 1 8 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.195 0.287 25791 2902 1 8 . 1 1 23 23 ALA H H 23 8.612 8.612 8.687 -0.075 25791 2903 1 8 . 1 1 24 24 ALA N N 24 119.002 119.002 120.646 -1.644 25791 2904 1 8 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.110 -0.172 25791 2905 1 8 . 1 1 24 24 ALA C C 24 178.987 178.987 179.142 -0.155 25791 2906 1 8 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.145 0.172 25791 2907 1 8 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.430 -0.539 25791 2908 1 8 . 1 1 24 24 ALA H H 24 8.168 8.168 8.030 0.138 25791 2909 1 8 . 1 1 25 25 GLN N N 25 115.599 115.599 117.121 -1.522 25791 2910 1 8 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.015 -0.011 25791 2911 1 8 . 1 1 25 25 GLN C C 25 177.818 177.818 178.413 -0.595 25791 2912 1 8 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.153 -0.699 25791 2913 1 8 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.905 -0.450 25791 2914 1 8 . 1 1 25 25 GLN H H 25 7.300 7.300 7.584 -0.284 25791 2915 1 8 . 1 1 26 26 GLN N N 26 116.989 116.989 116.339 0.650 25791 2916 1 8 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.846 -0.142 25791 2917 1 8 . 1 1 26 26 GLN C C 26 175.979 175.979 176.041 -0.062 25791 2918 1 8 . 1 1 26 26 GLN CA C 26 56.788 56.788 57.001 -0.213 25791 2919 1 8 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.445 -0.365 25791 2920 1 8 . 1 1 26 26 GLN H H 26 7.401 7.401 7.471 -0.070 25791 2921 1 8 . 1 1 27 27 TYR N N 27 114.712 114.712 117.805 -3.093 25791 2922 1 8 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.866 0.212 25791 2923 1 8 . 1 1 27 27 TYR C C 27 172.931 172.931 173.648 -0.717 25791 2924 1 8 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.709 0.458 25791 2925 1 8 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.383 1.277 25791 2926 1 8 . 1 1 27 27 TYR H H 27 7.675 7.675 8.063 -0.388 25791 2927 1 8 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.379 -0.017 25791 2928 1 8 . 1 1 28 28 PRO C C 28 179.333 179.333 178.115 1.218 25791 2929 1 8 . 1 1 28 28 PRO CA C 28 64.394 64.394 63.724 0.670 25791 2930 1 8 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.285 -1.031 25791 2931 1 8 . 1 1 29 29 GLY N N 29 110.091 110.091 112.905 -2.814 25791 2932 1 8 . 1 1 29 29 GLY C C 29 173.218 173.218 174.496 -1.278 25791 2933 1 8 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.699 0.213 25791 2934 1 8 . 1 1 29 29 GLY H H 29 8.826 8.826 8.779 0.047 25791 2935 1 8 . 1 1 30 30 ASN N N 30 118.603 118.603 122.129 -3.526 25791 2936 1 8 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.850 0.149 25791 2937 1 8 . 1 1 30 30 ASN C C 30 173.977 173.977 175.642 -1.665 25791 2938 1 8 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.644 -0.459 25791 2939 1 8 . 1 1 30 30 ASN CB C 30 38.426 38.426 36.992 1.434 25791 2940 1 8 . 1 1 30 30 ASN H H 30 7.293 7.293 7.555 -0.262 25791 2941 1 8 . 1 1 31 31 TYR N N 31 125.240 125.240 121.834 3.406 25791 2942 1 8 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.176 -0.278 25791 2943 1 8 . 1 1 31 31 TYR C C 31 177.343 177.343 177.024 0.319 25791 2944 1 8 . 1 1 31 31 TYR CA C 31 61.811 61.811 61.099 0.712 25791 2945 1 8 . 1 1 31 31 TYR CB C 31 38.357 38.357 37.412 0.945 25791 2946 1 8 . 1 1 31 31 TYR H H 31 8.509 8.509 7.785 0.724 25791 2947 1 8 . 1 1 32 32 GLU N N 32 118.993 118.993 119.322 -0.329 25791 2948 1 8 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.935 -0.035 25791 2949 1 8 . 1 1 32 32 GLU C C 32 179.549 179.549 178.717 0.832 25791 2950 1 8 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.427 0.685 25791 2951 1 8 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.589 0.579 25791 2952 1 8 . 1 1 32 32 GLU H H 32 8.714 8.714 7.738 0.976 25791 2953 1 8 . 1 1 33 33 GLN N N 33 117.037 117.037 118.034 -0.997 25791 2954 1 8 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.812 -0.079 25791 2955 1 8 . 1 1 33 33 GLN C C 33 179.119 179.119 178.535 0.584 25791 2956 1 8 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.383 -0.681 25791 2957 1 8 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.644 -0.018 25791 2958 1 8 . 1 1 33 33 GLN H H 33 7.536 7.536 8.196 -0.660 25791 2959 1 8 . 1 1 34 34 GLN N N 34 117.723 117.723 119.736 -2.013 25791 2960 1 8 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.048 -0.237 25791 2961 1 8 . 1 1 34 34 GLN C C 34 177.634 177.634 178.607 -0.973 25791 2962 1 8 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.460 0.705 25791 2963 1 8 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.622 -1.121 25791 2964 1 8 . 1 1 34 34 GLN H H 34 7.968 7.968 8.363 -0.395 25791 2965 1 8 . 1 1 35 35 GLN N N 35 115.293 115.293 119.009 -3.716 25791 2966 1 8 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.116 -0.325 25791 2967 1 8 . 1 1 35 35 GLN C C 35 178.757 178.757 178.695 0.062 25791 2968 1 8 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.613 -0.003 25791 2969 1 8 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.450 -0.245 25791 2970 1 8 . 1 1 35 35 GLN H H 35 7.870 7.870 8.076 -0.206 25791 2971 1 8 . 1 1 36 36 ILE N N 36 120.769 120.769 120.389 0.380 25791 2972 1 8 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.688 -0.124 25791 2973 1 8 . 1 1 36 36 ILE C C 36 178.273 178.273 178.222 0.051 25791 2974 1 8 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.158 0.078 25791 2975 1 8 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.625 0.748 25791 2976 1 8 . 1 1 36 36 ILE H H 36 7.503 7.503 8.143 -0.640 25791 2977 1 8 . 1 1 37 37 LEU N N 37 121.056 121.056 121.653 -0.597 25791 2978 1 8 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.073 0.236 25791 2979 1 8 . 1 1 37 37 LEU C C 37 178.348 178.348 178.145 0.203 25791 2980 1 8 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.843 -0.109 25791 2981 1 8 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.780 -0.264 25791 2982 1 8 . 1 1 37 37 LEU H H 37 7.678 7.678 7.768 -0.090 25791 2983 1 8 . 1 1 38 38 ILE N N 38 119.334 119.334 119.565 -0.231 25791 2984 1 8 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.483 -0.142 25791 2985 1 8 . 1 1 38 38 ILE C C 38 177.371 177.371 177.677 -0.306 25791 2986 1 8 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.720 1.365 25791 2987 1 8 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.716 0.633 25791 2988 1 8 . 1 1 38 38 ILE H H 38 8.702 8.702 8.486 0.216 25791 2989 1 8 . 1 1 39 39 ARG N N 39 117.798 117.798 119.840 -2.042 25791 2990 1 8 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.274 -0.059 25791 2991 1 8 . 1 1 39 39 ARG C C 39 179.555 179.555 178.593 0.962 25791 2992 1 8 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.179 0.279 25791 2993 1 8 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.623 0.129 25791 2994 1 8 . 1 1 39 39 ARG H H 39 7.739 7.739 8.548 -0.809 25791 2995 1 8 . 1 1 40 40 GLN N N 40 119.432 119.432 119.535 -0.103 25791 2996 1 8 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.084 0.053 25791 2997 1 8 . 1 1 40 40 GLN C C 40 179.522 179.522 178.595 0.927 25791 2998 1 8 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.829 0.431 25791 2999 1 8 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.700 -0.342 25791 3000 1 8 . 1 1 40 40 GLN H H 40 7.811 7.811 7.555 0.256 25791 3001 1 8 . 1 1 41 41 LEU N N 41 121.592 121.592 120.361 1.231 25791 3002 1 8 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.689 -0.002 25791 3003 1 8 . 1 1 41 41 LEU C C 41 178.974 178.974 178.979 -0.005 25791 3004 1 8 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.690 0.273 25791 3005 1 8 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.873 -1.021 25791 3006 1 8 . 1 1 41 41 LEU H H 41 8.648 8.648 8.113 0.535 25791 3007 1 8 . 1 1 42 42 GLN N N 42 119.054 119.054 118.478 0.576 25791 3008 1 8 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.349 0.195 25791 3009 1 8 . 1 1 42 42 GLN C C 42 180.176 180.176 178.797 1.379 25791 3010 1 8 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.410 -0.176 25791 3011 1 8 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.830 -0.910 25791 3012 1 8 . 1 1 42 42 GLN H H 42 8.641 8.641 8.628 0.013 25791 3013 1 8 . 1 1 43 43 GLU N N 43 121.517 121.517 121.250 0.267 25791 3014 1 8 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.036 0.200 25791 3015 1 8 . 1 1 43 43 GLU C C 43 179.721 179.721 179.029 0.692 25791 3016 1 8 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.686 -0.019 25791 3017 1 8 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.487 -0.229 25791 3018 1 8 . 1 1 43 43 GLU H H 43 8.111 8.111 8.071 0.040 25791 3019 1 8 . 1 1 44 44 GLN N N 44 119.240 119.240 118.214 1.026 25791 3020 1 8 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.035 0.081 25791 3021 1 8 . 1 1 44 44 GLN C C 44 179.012 179.012 178.351 0.661 25791 3022 1 8 . 1 1 44 44 GLN CA C 44 59.149 59.149 59.107 0.042 25791 3023 1 8 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.746 0.108 25791 3024 1 8 . 1 1 44 44 GLN H H 44 8.372 8.372 8.297 0.075 25791 3025 1 8 . 1 1 45 45 HIS N N 45 121.705 121.705 120.830 0.875 25791 3026 1 8 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.277 0.003 25791 3027 1 8 . 1 1 45 45 HIS C C 45 176.395 176.395 177.285 -0.890 25791 3028 1 8 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.153 1.206 25791 3029 1 8 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.541 1.784 25791 3030 1 8 . 1 1 45 45 HIS H H 45 9.472 9.472 8.459 1.013 25791 3031 1 8 . 1 1 46 46 TYR N N 46 119.039 119.039 120.239 -1.200 25791 3032 1 8 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.059 -0.210 25791 3033 1 8 . 1 1 46 46 TYR C C 46 176.664 176.664 177.998 -1.334 25791 3034 1 8 . 1 1 46 46 TYR CA C 46 62.251 62.251 62.102 0.149 25791 3035 1 8 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.481 -0.809 25791 3036 1 8 . 1 1 46 46 TYR H H 46 8.253 8.253 8.514 -0.261 25791 3037 1 8 . 1 1 47 47 GLN N N 47 116.407 116.407 118.056 -1.649 25791 3038 1 8 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.848 -0.064 25791 3039 1 8 . 1 1 47 47 GLN C C 47 179.048 179.048 178.339 0.709 25791 3040 1 8 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.389 -0.440 25791 3041 1 8 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.530 -0.349 25791 3042 1 8 . 1 1 47 47 GLN H H 47 7.814 7.814 8.437 -0.623 25791 3043 1 8 . 1 1 48 48 GLN N N 48 119.803 119.803 119.596 0.207 25791 3044 1 8 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.073 -0.096 25791 3045 1 8 . 1 1 48 48 GLN C C 48 177.741 177.741 178.258 -0.517 25791 3046 1 8 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.435 -0.121 25791 3047 1 8 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.366 -0.039 25791 3048 1 8 . 1 1 48 48 GLN H H 48 8.645 8.645 8.416 0.229 25791 3049 1 8 . 1 1 49 49 TYR N N 49 121.342 121.342 121.963 -0.621 25791 3050 1 8 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.186 -0.546 25791 3051 1 8 . 1 1 49 49 TYR C C 49 176.021 176.021 177.452 -1.431 25791 3052 1 8 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.242 0.867 25791 3053 1 8 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.168 0.739 25791 3054 1 8 . 1 1 49 49 TYR H H 49 9.105 9.105 8.653 0.452 25791 3055 1 8 . 1 1 50 50 MET N N 50 115.522 115.522 118.774 -3.252 25791 3056 1 8 . 1 1 50 50 MET HA H 50 4.040 4.040 3.594 0.446 25791 3057 1 8 . 1 1 50 50 MET C C 50 179.841 179.841 178.164 1.677 25791 3058 1 8 . 1 1 50 50 MET CA C 50 56.623 56.623 56.750 -0.127 25791 3059 1 8 . 1 1 50 50 MET CB C 50 30.099 30.099 31.480 -1.381 25791 3060 1 8 . 1 1 50 50 MET H H 50 8.060 8.060 8.329 -0.269 25791 3061 1 8 . 1 1 51 51 GLN N N 51 118.942 118.942 118.608 0.334 25791 3062 1 8 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.903 0.162 25791 3063 1 8 . 1 1 51 51 GLN C C 51 178.707 178.707 178.418 0.289 25791 3064 1 8 . 1 1 51 51 GLN CA C 51 58.941 58.941 58.890 0.051 25791 3065 1 8 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.267 0.223 25791 3066 1 8 . 1 1 51 51 GLN H H 51 7.830 7.830 8.170 -0.340 25791 3067 1 8 . 1 1 52 52 GLN N N 52 119.210 119.210 119.620 -0.410 25791 3068 1 8 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.074 -0.017 25791 3069 1 8 . 1 1 52 52 GLN C C 52 178.738 178.738 178.473 0.265 25791 3070 1 8 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.347 0.402 25791 3071 1 8 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.853 -0.450 25791 3072 1 8 . 1 1 52 52 GLN H H 52 8.187 8.187 7.880 0.307 25791 3073 1 8 . 1 1 53 53 LEU N N 53 121.233 121.233 121.436 -0.203 25791 3074 1 8 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.850 -0.009 25791 3075 1 8 . 1 1 53 53 LEU C C 53 179.191 179.191 177.952 1.239 25791 3076 1 8 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.637 0.108 25791 3077 1 8 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.275 0.591 25791 3078 1 8 . 1 1 53 53 LEU H H 53 8.441 8.441 8.208 0.233 25791 3079 1 8 . 1 1 54 54 TYR N N 54 118.505 118.505 118.827 -0.322 25791 3080 1 8 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.913 0.405 25791 3081 1 8 . 1 1 54 54 TYR C C 54 177.535 177.535 177.497 0.038 25791 3082 1 8 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.208 -1.731 25791 3083 1 8 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.285 -0.499 25791 3084 1 8 . 1 1 54 54 TYR H H 54 7.819 7.819 8.487 -0.668 25791 3085 1 8 . 1 1 55 55 GLN N N 55 117.299 117.299 117.592 -0.293 25791 3086 1 8 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.124 -0.225 25791 3087 1 8 . 1 1 55 55 GLN C C 55 179.041 179.041 178.300 0.741 25791 3088 1 8 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.974 -0.265 25791 3089 1 8 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.573 -0.358 25791 3090 1 8 . 1 1 55 55 GLN H H 55 7.735 7.735 7.777 -0.042 25791 3091 1 8 . 1 1 56 56 VAL N N 56 120.879 120.879 119.606 1.273 25791 3092 1 8 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.659 0.133 25791 3093 1 8 . 1 1 56 56 VAL C C 56 178.262 178.262 177.879 0.383 25791 3094 1 8 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.036 -0.094 25791 3095 1 8 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.515 0.364 25791 3096 1 8 . 1 1 56 56 VAL H H 56 8.014 8.014 7.150 0.864 25791 3097 1 8 . 1 1 57 57 GLN N N 57 120.513 120.513 119.715 0.798 25791 3098 1 8 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.994 0.066 25791 3099 1 8 . 1 1 57 57 GLN C C 57 178.772 178.772 178.154 0.618 25791 3100 1 8 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.370 0.246 25791 3101 1 8 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.771 0.214 25791 3102 1 8 . 1 1 57 57 GLN H H 57 8.103 8.103 8.458 -0.355 25791 3103 1 8 . 1 1 58 58 LEU N N 58 121.244 121.244 121.912 -0.668 25791 3104 1 8 . 1 1 58 58 LEU HA H 58 4.005 4.005 4.025 -0.020 25791 3105 1 8 . 1 1 58 58 LEU C C 58 179.134 179.134 178.044 1.090 25791 3106 1 8 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.324 0.182 25791 3107 1 8 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.410 0.393 25791 3108 1 8 . 1 1 58 58 LEU H H 58 8.176 8.176 7.692 0.484 25791 3109 1 8 . 1 1 59 59 ALA N N 59 121.608 121.608 121.576 0.032 25791 3110 1 8 . 1 1 59 59 ALA HA H 59 4.165 4.165 4.048 0.117 25791 3111 1 8 . 1 1 59 59 ALA C C 59 180.497 180.497 179.914 0.583 25791 3112 1 8 . 1 1 59 59 ALA CA C 59 54.582 54.582 54.912 -0.330 25791 3113 1 8 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.277 -0.224 25791 3114 1 8 . 1 1 59 59 ALA H H 59 7.833 7.833 7.889 -0.056 25791 3115 1 8 . 1 1 60 60 GLN N N 60 118.335 118.335 117.458 0.877 25791 3116 1 8 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.980 0.168 25791 3117 1 8 . 1 1 60 60 GLN C C 60 178.334 178.334 178.508 -0.174 25791 3118 1 8 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.408 -0.431 25791 3119 1 8 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.200 0.235 25791 3120 1 8 . 1 1 60 60 GLN H H 60 8.081 8.081 7.847 0.234 25791 3121 1 8 . 1 1 61 61 GLN N N 61 120.206 120.206 120.373 -0.167 25791 3122 1 8 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.931 0.231 25791 3123 1 8 . 1 1 61 61 GLN C C 61 178.002 178.002 178.386 -0.384 25791 3124 1 8 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.989 -1.084 25791 3125 1 8 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.572 0.007 25791 3126 1 8 . 1 1 61 61 GLN H H 61 8.111 8.111 8.186 -0.075 25791 3127 1 8 . 1 1 62 62 GLN N N 62 118.980 118.980 118.913 0.067 25791 3128 1 8 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.020 0.109 25791 3129 1 8 . 1 1 62 62 GLN C C 62 177.624 177.624 178.357 -0.733 25791 3130 1 8 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.679 -1.043 25791 3131 1 8 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.597 0.039 25791 3132 1 8 . 1 1 62 62 GLN H H 62 8.203 8.203 8.569 -0.366 25791 3133 1 8 . 1 1 63 63 ALA N N 63 122.712 122.712 121.442 1.270 25791 3134 1 8 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.169 0.037 25791 3135 1 8 . 1 1 63 63 ALA C C 63 178.922 178.922 178.616 0.306 25791 3136 1 8 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.282 -0.386 25791 3137 1 8 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.192 0.267 25791 3138 1 8 . 1 1 63 63 ALA H H 63 8.004 8.004 7.823 0.181 25791 3139 1 8 . 1 1 64 64 ALA N N 64 120.813 120.813 121.265 -0.452 25791 3140 1 8 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.158 0.074 25791 3141 1 8 . 1 1 64 64 ALA C C 64 178.732 178.732 178.920 -0.188 25791 3142 1 8 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.092 -0.576 25791 3143 1 8 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.196 -0.566 25791 3144 1 8 . 1 1 64 64 ALA H H 64 7.837 7.837 7.665 0.172 25791 3145 1 8 . 1 1 65 65 LEU N N 65 119.196 119.196 118.583 0.613 25791 3146 1 8 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.288 -0.031 25791 3147 1 8 . 1 1 65 65 LEU C C 65 178.038 178.038 177.571 0.467 25791 3148 1 8 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.672 -0.851 25791 3149 1 8 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.133 0.131 25791 3150 1 8 . 1 1 65 65 LEU H H 65 7.765 7.765 8.013 -0.248 25791 3151 1 8 . 1 1 66 66 GLN N N 66 119.365 119.365 115.262 4.103 25791 3152 1 8 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.918 0.357 25791 3153 1 8 . 1 1 66 66 GLN C C 66 176.120 176.120 174.806 1.314 25791 3154 1 8 . 1 1 66 66 GLN CA C 66 56.067 56.067 56.266 -0.199 25791 3155 1 8 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.022 3.110 25791 3156 1 8 . 1 1 66 66 GLN H H 66 7.967 7.967 8.253 -0.286 25791 3157 1 8 . 1 1 67 67 LYS N N 67 121.521 121.521 117.446 4.075 25791 3158 1 8 . 1 1 67 67 LYS HA H 67 4.309 4.309 3.895 0.414 25791 3159 1 8 . 1 1 67 67 LYS C C 67 176.437 176.437 175.553 0.884 25791 3160 1 8 . 1 1 67 67 LYS CA C 67 56.389 56.389 56.968 -0.579 25791 3161 1 8 . 1 1 67 67 LYS CB C 67 33.041 33.041 31.604 1.437 25791 3162 1 8 . 1 1 67 67 LYS H H 67 8.053 8.053 8.540 -0.487 25791 3163 1 8 . 1 1 68 68 GLN N N 68 121.970 121.970 115.966 6.004 25791 3164 1 8 . 1 1 68 68 GLN HA H 68 4.339 4.339 3.939 0.400 25791 3165 1 8 . 1 1 68 68 GLN C C 68 175.120 175.120 175.401 -0.281 25791 3166 1 8 . 1 1 68 68 GLN CA C 68 56.000 56.000 56.858 -0.858 25791 3167 1 8 . 1 1 68 68 GLN CB C 68 29.498 29.498 27.606 1.892 25791 3168 1 8 . 1 1 68 68 GLN H H 68 8.314 8.314 8.174 0.140 25791 3169 1 9 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.624 -0.177 25791 3170 1 9 . 1 1 2 2 GLN C C 2 176.144 176.144 176.533 -0.389 25791 3171 1 9 . 1 1 2 2 GLN CA C 2 56.209 56.209 55.858 0.350 25791 3172 1 9 . 1 1 2 2 GLN CB C 2 29.459 29.459 30.886 -1.427 25791 3173 1 9 . 1 1 3 3 GLN N N 3 122.052 122.052 126.831 -4.779 25791 3174 1 9 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.018 0.305 25791 3175 1 9 . 1 1 3 3 GLN C C 3 176.988 176.988 176.980 0.008 25791 3176 1 9 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.437 -1.034 25791 3177 1 9 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.596 0.643 25791 3178 1 9 . 1 1 3 3 GLN H H 3 8.780 8.780 9.012 -0.232 25791 3179 1 9 . 1 1 4 4 LYS N N 4 121.855 121.855 119.595 2.260 25791 3180 1 9 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.114 -0.110 25791 3181 1 9 . 1 1 4 4 LYS C C 4 177.638 177.638 178.479 -0.841 25791 3182 1 9 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.063 1.176 25791 3183 1 9 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.060 0.639 25791 3184 1 9 . 1 1 4 4 LYS H H 4 8.528 8.528 8.277 0.251 25791 3185 1 9 . 1 1 5 5 GLN N N 5 116.397 116.397 117.956 -1.559 25791 3186 1 9 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.855 0.086 25791 3187 1 9 . 1 1 5 5 GLN C C 5 178.761 178.761 178.304 0.457 25791 3188 1 9 . 1 1 5 5 GLN CA C 5 59.349 59.349 59.405 -0.056 25791 3189 1 9 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.248 -0.298 25791 3190 1 9 . 1 1 5 5 GLN H H 5 8.223 8.223 7.911 0.312 25791 3191 1 9 . 1 1 6 6 GLN N N 6 119.262 119.262 118.211 1.051 25791 3192 1 9 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.155 -0.027 25791 3193 1 9 . 1 1 6 6 GLN C C 6 179.018 179.018 178.127 0.891 25791 3194 1 9 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.654 0.435 25791 3195 1 9 . 1 1 6 6 GLN CB C 6 28.710 28.710 27.743 0.967 25791 3196 1 9 . 1 1 6 6 GLN H H 6 7.848 7.848 8.453 -0.605 25791 3197 1 9 . 1 1 7 7 ILE N N 7 121.296 121.296 121.772 -0.476 25791 3198 1 9 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.859 -0.276 25791 3199 1 9 . 1 1 7 7 ILE C C 7 177.833 177.833 178.188 -0.355 25791 3200 1 9 . 1 1 7 7 ILE CA C 7 65.129 65.129 63.155 1.974 25791 3201 1 9 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.112 1.094 25791 3202 1 9 . 1 1 7 7 ILE H H 7 8.095 8.095 7.256 0.839 25791 3203 1 9 . 1 1 8 8 MET N N 8 117.603 117.603 119.151 -1.548 25791 3204 1 9 . 1 1 8 8 MET HA H 8 3.985 3.985 4.021 -0.036 25791 3205 1 9 . 1 1 8 8 MET C C 8 177.355 177.355 178.825 -1.470 25791 3206 1 9 . 1 1 8 8 MET CA C 8 59.932 59.932 59.710 0.222 25791 3207 1 9 . 1 1 8 8 MET CB C 8 32.721 32.721 32.031 0.691 25791 3208 1 9 . 1 1 8 8 MET H H 8 8.672 8.672 8.298 0.374 25791 3209 1 9 . 1 1 9 9 ALA N N 9 118.774 118.774 121.467 -2.693 25791 3210 1 9 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.011 0.035 25791 3211 1 9 . 1 1 9 9 ALA C C 9 180.546 180.546 179.317 1.229 25791 3212 1 9 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.182 0.203 25791 3213 1 9 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.923 -0.025 25791 3214 1 9 . 1 1 9 9 ALA H H 9 7.795 7.795 8.347 -0.552 25791 3215 1 9 . 1 1 10 10 ALA N N 10 120.854 120.854 121.420 -0.566 25791 3216 1 9 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.091 0.114 25791 3217 1 9 . 1 1 10 10 ALA C C 10 181.200 181.200 179.586 1.614 25791 3218 1 9 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.809 0.204 25791 3219 1 9 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.279 0.982 25791 3220 1 9 . 1 1 10 10 ALA H H 10 7.438 7.438 7.588 -0.150 25791 3221 1 9 . 1 1 11 11 LEU N N 11 120.775 120.775 118.797 1.978 25791 3222 1 9 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.718 0.030 25791 3223 1 9 . 1 1 11 11 LEU C C 11 179.041 179.041 179.151 -0.110 25791 3224 1 9 . 1 1 11 11 LEU CA C 11 58.346 58.346 58.023 0.323 25791 3225 1 9 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.188 -1.211 25791 3226 1 9 . 1 1 11 11 LEU H H 11 8.757 8.757 8.601 0.156 25791 3227 1 9 . 1 1 12 12 ASN N N 12 116.313 116.313 117.575 -1.262 25791 3228 1 9 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.496 0.068 25791 3229 1 9 . 1 1 12 12 ASN C C 12 178.900 178.900 176.722 2.178 25791 3230 1 9 . 1 1 12 12 ASN CA C 12 54.065 54.065 56.272 -2.207 25791 3231 1 9 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.683 -1.690 25791 3232 1 9 . 1 1 12 12 ASN H H 12 8.850 8.850 8.558 0.292 25791 3233 1 9 . 1 1 13 13 SER N N 13 114.747 114.747 115.389 -0.642 25791 3234 1 9 . 1 1 13 13 SER HA H 13 4.370 4.370 4.190 0.180 25791 3235 1 9 . 1 1 13 13 SER C C 13 176.515 176.515 177.057 -0.542 25791 3236 1 9 . 1 1 13 13 SER CA C 13 61.141 61.141 61.213 -0.072 25791 3237 1 9 . 1 1 13 13 SER CB C 13 63.044 63.044 63.362 -0.318 25791 3238 1 9 . 1 1 13 13 SER H H 13 7.672 7.672 7.761 -0.089 25791 3239 1 9 . 1 1 14 14 GLN N N 14 119.954 119.954 118.387 1.567 25791 3240 1 9 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.174 0.044 25791 3241 1 9 . 1 1 14 14 GLN C C 14 178.208 178.208 177.146 1.062 25791 3242 1 9 . 1 1 14 14 GLN CA C 14 57.749 57.749 57.893 -0.144 25791 3243 1 9 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.721 -0.021 25791 3244 1 9 . 1 1 14 14 GLN H H 14 7.573 7.573 7.853 -0.280 25791 3245 1 9 . 1 1 15 15 THR N N 15 107.493 107.493 106.554 0.939 25791 3246 1 9 . 1 1 15 15 THR HA H 15 3.899 3.899 4.445 -0.546 25791 3247 1 9 . 1 1 15 15 THR C C 15 174.683 174.683 174.830 -0.147 25791 3248 1 9 . 1 1 15 15 THR CA C 15 61.551 61.551 59.799 1.752 25791 3249 1 9 . 1 1 15 15 THR CB C 15 69.226 69.226 69.451 -0.225 25791 3250 1 9 . 1 1 15 15 THR H H 15 7.741 7.741 7.341 0.400 25791 3251 1 9 . 1 1 16 16 ALA N N 16 124.034 124.034 126.196 -2.162 25791 3252 1 9 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.045 0.090 25791 3253 1 9 . 1 1 16 16 ALA C C 16 179.899 179.899 178.474 1.425 25791 3254 1 9 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.851 0.356 25791 3255 1 9 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.270 0.454 25791 3256 1 9 . 1 1 16 16 ALA H H 16 6.873 6.873 7.402 -0.529 25791 3257 1 9 . 1 1 17 17 VAL N N 17 117.150 117.150 118.098 -0.948 25791 3258 1 9 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.701 0.013 25791 3259 1 9 . 1 1 17 17 VAL C C 17 178.537 178.537 177.288 1.249 25791 3260 1 9 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.292 1.216 25791 3261 1 9 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.591 0.102 25791 3262 1 9 . 1 1 17 17 VAL H H 17 8.162 8.162 8.396 -0.234 25791 3263 1 9 . 1 1 18 18 GLN N N 18 119.489 119.489 119.828 -0.339 25791 3264 1 9 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.025 0.032 25791 3265 1 9 . 1 1 18 18 GLN C C 18 180.429 180.429 178.916 1.513 25791 3266 1 9 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.214 0.485 25791 3267 1 9 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.440 0.746 25791 3268 1 9 . 1 1 18 18 GLN H H 18 8.451 8.451 8.015 0.436 25791 3269 1 9 . 1 1 19 19 PHE N N 19 117.940 117.940 118.840 -0.900 25791 3270 1 9 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.485 0.345 25791 3271 1 9 . 1 1 19 19 PHE C C 19 177.858 177.858 178.304 -0.446 25791 3272 1 9 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.569 -1.540 25791 3273 1 9 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.187 -2.282 25791 3274 1 9 . 1 1 19 19 PHE H H 19 8.924 8.924 8.694 0.230 25791 3275 1 9 . 1 1 20 20 GLN N N 20 120.297 120.297 119.521 0.776 25791 3276 1 9 . 1 1 20 20 GLN HA H 20 4.106 4.106 4.003 0.103 25791 3277 1 9 . 1 1 20 20 GLN C C 20 178.986 178.986 178.665 0.321 25791 3278 1 9 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.688 -0.125 25791 3279 1 9 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.582 -0.687 25791 3280 1 9 . 1 1 20 20 GLN H H 20 8.264 8.264 8.065 0.199 25791 3281 1 9 . 1 1 21 21 GLN N N 21 118.595 118.595 119.006 -0.411 25791 3282 1 9 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.111 -0.029 25791 3283 1 9 . 1 1 21 21 GLN C C 21 178.806 178.806 178.495 0.311 25791 3284 1 9 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.566 0.604 25791 3285 1 9 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.506 -0.310 25791 3286 1 9 . 1 1 21 21 GLN H H 21 8.527 8.527 8.451 0.076 25791 3287 1 9 . 1 1 22 22 TYR N N 22 119.594 119.594 121.312 -1.718 25791 3288 1 9 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.132 0.115 25791 3289 1 9 . 1 1 22 22 TYR C C 22 177.789 177.789 177.066 0.723 25791 3290 1 9 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.784 0.928 25791 3291 1 9 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.245 0.479 25791 3292 1 9 . 1 1 22 22 TYR H H 22 7.843 7.843 8.215 -0.372 25791 3293 1 9 . 1 1 23 23 ALA N N 23 120.663 120.663 121.157 -0.494 25791 3294 1 9 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.751 0.106 25791 3295 1 9 . 1 1 23 23 ALA C C 23 179.319 179.319 178.692 0.627 25791 3296 1 9 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.873 0.716 25791 3297 1 9 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.208 0.274 25791 3298 1 9 . 1 1 23 23 ALA H H 23 8.612 8.612 8.572 0.040 25791 3299 1 9 . 1 1 24 24 ALA N N 24 119.002 119.002 121.225 -2.223 25791 3300 1 9 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.106 -0.168 25791 3301 1 9 . 1 1 24 24 ALA C C 24 178.987 178.987 178.880 0.107 25791 3302 1 9 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.332 -0.015 25791 3303 1 9 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.793 -0.902 25791 3304 1 9 . 1 1 24 24 ALA H H 24 8.168 8.168 8.057 0.111 25791 3305 1 9 . 1 1 25 25 GLN N N 25 115.599 115.599 116.341 -0.742 25791 3306 1 9 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.030 -0.026 25791 3307 1 9 . 1 1 25 25 GLN C C 25 177.818 177.818 177.986 -0.168 25791 3308 1 9 . 1 1 25 25 GLN CA C 25 57.454 57.454 57.828 -0.374 25791 3309 1 9 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.686 -0.231 25791 3310 1 9 . 1 1 25 25 GLN H H 25 7.300 7.300 7.728 -0.428 25791 3311 1 9 . 1 1 26 26 GLN N N 26 116.989 116.989 117.371 -0.382 25791 3312 1 9 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.888 -0.184 25791 3313 1 9 . 1 1 26 26 GLN C C 26 175.979 175.979 175.863 0.116 25791 3314 1 9 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.727 0.061 25791 3315 1 9 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.556 -0.476 25791 3316 1 9 . 1 1 26 26 GLN H H 26 7.401 7.401 7.389 0.012 25791 3317 1 9 . 1 1 27 27 TYR N N 27 114.712 114.712 117.857 -3.145 25791 3318 1 9 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.892 0.186 25791 3319 1 9 . 1 1 27 27 TYR C C 27 172.931 172.931 173.707 -0.776 25791 3320 1 9 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.456 0.711 25791 3321 1 9 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.214 1.446 25791 3322 1 9 . 1 1 27 27 TYR H H 27 7.675 7.675 8.040 -0.365 25791 3323 1 9 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.342 0.020 25791 3324 1 9 . 1 1 28 28 PRO C C 28 179.333 179.333 177.888 1.445 25791 3325 1 9 . 1 1 28 28 PRO CA C 28 64.394 64.394 64.085 0.309 25791 3326 1 9 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.366 -1.112 25791 3327 1 9 . 1 1 29 29 GLY N N 29 110.091 110.091 113.140 -3.049 25791 3328 1 9 . 1 1 29 29 GLY C C 29 173.218 173.218 174.823 -1.605 25791 3329 1 9 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.303 0.609 25791 3330 1 9 . 1 1 29 29 GLY H H 29 8.826 8.826 8.755 0.071 25791 3331 1 9 . 1 1 30 30 ASN N N 30 118.603 118.603 123.196 -4.593 25791 3332 1 9 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.849 0.150 25791 3333 1 9 . 1 1 30 30 ASN C C 30 173.977 173.977 175.291 -1.314 25791 3334 1 9 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.438 -0.253 25791 3335 1 9 . 1 1 30 30 ASN CB C 30 38.426 38.426 37.071 1.355 25791 3336 1 9 . 1 1 30 30 ASN H H 30 7.293 7.293 7.796 -0.503 25791 3337 1 9 . 1 1 31 31 TYR N N 31 125.240 125.240 121.906 3.334 25791 3338 1 9 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.210 -0.312 25791 3339 1 9 . 1 1 31 31 TYR C C 31 177.343 177.343 176.773 0.570 25791 3340 1 9 . 1 1 31 31 TYR CA C 31 61.811 61.811 61.204 0.607 25791 3341 1 9 . 1 1 31 31 TYR CB C 31 38.357 38.357 37.416 0.941 25791 3342 1 9 . 1 1 31 31 TYR H H 31 8.509 8.509 7.923 0.586 25791 3343 1 9 . 1 1 32 32 GLU N N 32 118.993 118.993 118.311 0.682 25791 3344 1 9 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.799 0.101 25791 3345 1 9 . 1 1 32 32 GLU C C 32 179.549 179.549 178.655 0.894 25791 3346 1 9 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.008 1.104 25791 3347 1 9 . 1 1 32 32 GLU CB C 32 29.168 29.168 27.722 1.446 25791 3348 1 9 . 1 1 32 32 GLU H H 32 8.714 8.714 7.694 1.020 25791 3349 1 9 . 1 1 33 33 GLN N N 33 117.037 117.037 118.980 -1.943 25791 3350 1 9 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.904 -0.171 25791 3351 1 9 . 1 1 33 33 GLN C C 33 179.119 179.119 178.553 0.566 25791 3352 1 9 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.265 -0.563 25791 3353 1 9 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.643 -0.017 25791 3354 1 9 . 1 1 33 33 GLN H H 33 7.536 7.536 8.160 -0.624 25791 3355 1 9 . 1 1 34 34 GLN N N 34 117.723 117.723 119.881 -2.158 25791 3356 1 9 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.054 -0.243 25791 3357 1 9 . 1 1 34 34 GLN C C 34 177.634 177.634 178.634 -1.000 25791 3358 1 9 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.571 0.594 25791 3359 1 9 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.611 -1.110 25791 3360 1 9 . 1 1 34 34 GLN H H 34 7.968 7.968 8.516 -0.548 25791 3361 1 9 . 1 1 35 35 GLN N N 35 115.293 115.293 118.869 -3.576 25791 3362 1 9 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.118 -0.327 25791 3363 1 9 . 1 1 35 35 GLN C C 35 178.757 178.757 178.714 0.043 25791 3364 1 9 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.666 -0.056 25791 3365 1 9 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.480 -0.275 25791 3366 1 9 . 1 1 35 35 GLN H H 35 7.870 7.870 8.165 -0.295 25791 3367 1 9 . 1 1 36 36 ILE N N 36 120.769 120.769 120.585 0.184 25791 3368 1 9 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.671 -0.107 25791 3369 1 9 . 1 1 36 36 ILE C C 36 178.273 178.273 178.208 0.065 25791 3370 1 9 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.229 0.007 25791 3371 1 9 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.715 0.658 25791 3372 1 9 . 1 1 36 36 ILE H H 36 7.503 7.503 8.027 -0.524 25791 3373 1 9 . 1 1 37 37 LEU N N 37 121.056 121.056 121.404 -0.348 25791 3374 1 9 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.041 0.268 25791 3375 1 9 . 1 1 37 37 LEU C C 37 178.348 178.348 178.266 0.082 25791 3376 1 9 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.950 -0.216 25791 3377 1 9 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.795 -0.279 25791 3378 1 9 . 1 1 37 37 LEU H H 37 7.678 7.678 8.098 -0.420 25791 3379 1 9 . 1 1 38 38 ILE N N 38 119.334 119.334 119.747 -0.413 25791 3380 1 9 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.464 -0.123 25791 3381 1 9 . 1 1 38 38 ILE C C 38 177.371 177.371 177.978 -0.607 25791 3382 1 9 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.696 1.389 25791 3383 1 9 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.578 0.771 25791 3384 1 9 . 1 1 38 38 ILE H H 38 8.702 8.702 8.403 0.299 25791 3385 1 9 . 1 1 39 39 ARG N N 39 117.798 117.798 119.784 -1.986 25791 3386 1 9 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.260 -0.045 25791 3387 1 9 . 1 1 39 39 ARG C C 39 179.555 179.555 179.279 0.276 25791 3388 1 9 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.884 -0.425 25791 3389 1 9 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.992 -0.240 25791 3390 1 9 . 1 1 39 39 ARG H H 39 7.739 7.739 8.433 -0.694 25791 3391 1 9 . 1 1 40 40 GLN N N 40 119.432 119.432 118.951 0.481 25791 3392 1 9 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.030 0.107 25791 3393 1 9 . 1 1 40 40 GLN C C 40 179.522 179.522 178.540 0.982 25791 3394 1 9 . 1 1 40 40 GLN CA C 40 59.260 59.260 59.054 0.206 25791 3395 1 9 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.565 -0.207 25791 3396 1 9 . 1 1 40 40 GLN H H 40 7.811 7.811 7.597 0.214 25791 3397 1 9 . 1 1 41 41 LEU N N 41 121.592 121.592 120.406 1.186 25791 3398 1 9 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.809 -0.122 25791 3399 1 9 . 1 1 41 41 LEU C C 41 178.974 178.974 178.944 0.030 25791 3400 1 9 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.586 0.377 25791 3401 1 9 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.790 -0.938 25791 3402 1 9 . 1 1 41 41 LEU H H 41 8.648 8.648 8.004 0.644 25791 3403 1 9 . 1 1 42 42 GLN N N 42 119.054 119.054 118.851 0.203 25791 3404 1 9 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.306 0.238 25791 3405 1 9 . 1 1 42 42 GLN C C 42 180.176 180.176 178.812 1.364 25791 3406 1 9 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.564 -0.330 25791 3407 1 9 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.748 -0.828 25791 3408 1 9 . 1 1 42 42 GLN H H 42 8.641 8.641 8.571 0.070 25791 3409 1 9 . 1 1 43 43 GLU N N 43 121.517 121.517 121.062 0.455 25791 3410 1 9 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.057 0.179 25791 3411 1 9 . 1 1 43 43 GLU C C 43 179.721 179.721 178.975 0.746 25791 3412 1 9 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.603 0.064 25791 3413 1 9 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.530 -0.272 25791 3414 1 9 . 1 1 43 43 GLU H H 43 8.111 8.111 7.993 0.118 25791 3415 1 9 . 1 1 44 44 GLN N N 44 119.240 119.240 118.343 0.897 25791 3416 1 9 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.012 0.104 25791 3417 1 9 . 1 1 44 44 GLN C C 44 179.012 179.012 178.393 0.619 25791 3418 1 9 . 1 1 44 44 GLN CA C 44 59.149 59.149 59.177 -0.028 25791 3419 1 9 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.737 0.117 25791 3420 1 9 . 1 1 44 44 GLN H H 44 8.372 8.372 8.218 0.154 25791 3421 1 9 . 1 1 45 45 HIS N N 45 121.705 121.705 120.541 1.164 25791 3422 1 9 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.291 -0.011 25791 3423 1 9 . 1 1 45 45 HIS C C 45 176.395 176.395 177.330 -0.935 25791 3424 1 9 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.070 1.289 25791 3425 1 9 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.572 1.753 25791 3426 1 9 . 1 1 45 45 HIS H H 45 9.472 9.472 8.467 1.005 25791 3427 1 9 . 1 1 46 46 TYR N N 46 119.039 119.039 120.727 -1.688 25791 3428 1 9 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.053 -0.204 25791 3429 1 9 . 1 1 46 46 TYR C C 46 176.664 176.664 178.019 -1.355 25791 3430 1 9 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.843 0.408 25791 3431 1 9 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.448 -0.776 25791 3432 1 9 . 1 1 46 46 TYR H H 46 8.253 8.253 8.327 -0.074 25791 3433 1 9 . 1 1 47 47 GLN N N 47 116.407 116.407 117.512 -1.105 25791 3434 1 9 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.850 -0.066 25791 3435 1 9 . 1 1 47 47 GLN C C 47 179.048 179.048 178.669 0.379 25791 3436 1 9 . 1 1 47 47 GLN CA C 47 58.949 58.949 58.997 -0.048 25791 3437 1 9 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.038 0.143 25791 3438 1 9 . 1 1 47 47 GLN H H 47 7.814 7.814 8.477 -0.663 25791 3439 1 9 . 1 1 48 48 GLN N N 48 119.803 119.803 120.103 -0.300 25791 3440 1 9 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.125 -0.148 25791 3441 1 9 . 1 1 48 48 GLN C C 48 177.741 177.741 178.258 -0.517 25791 3442 1 9 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.248 0.066 25791 3443 1 9 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.358 -0.030 25791 3444 1 9 . 1 1 48 48 GLN H H 48 8.645 8.645 8.563 0.082 25791 3445 1 9 . 1 1 49 49 TYR N N 49 121.342 121.342 121.692 -0.350 25791 3446 1 9 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.143 -0.503 25791 3447 1 9 . 1 1 49 49 TYR C C 49 176.021 176.021 177.550 -1.529 25791 3448 1 9 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.456 0.653 25791 3449 1 9 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.217 0.690 25791 3450 1 9 . 1 1 49 49 TYR H H 49 9.105 9.105 8.534 0.571 25791 3451 1 9 . 1 1 50 50 MET N N 50 115.522 115.522 118.548 -3.026 25791 3452 1 9 . 1 1 50 50 MET HA H 50 4.040 4.040 3.631 0.409 25791 3453 1 9 . 1 1 50 50 MET C C 50 179.841 179.841 178.115 1.726 25791 3454 1 9 . 1 1 50 50 MET CA C 50 56.623 56.623 58.515 -1.892 25791 3455 1 9 . 1 1 50 50 MET CB C 50 30.099 30.099 32.145 -2.046 25791 3456 1 9 . 1 1 50 50 MET H H 50 8.060 8.060 8.371 -0.311 25791 3457 1 9 . 1 1 51 51 GLN N N 51 118.942 118.942 118.579 0.363 25791 3458 1 9 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.881 0.184 25791 3459 1 9 . 1 1 51 51 GLN C C 51 178.707 178.707 178.419 0.288 25791 3460 1 9 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.468 -0.527 25791 3461 1 9 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.480 0.009 25791 3462 1 9 . 1 1 51 51 GLN H H 51 7.830 7.830 7.931 -0.101 25791 3463 1 9 . 1 1 52 52 GLN N N 52 119.210 119.210 119.598 -0.388 25791 3464 1 9 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.095 -0.038 25791 3465 1 9 . 1 1 52 52 GLN C C 52 178.738 178.738 178.560 0.178 25791 3466 1 9 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.072 0.677 25791 3467 1 9 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.370 0.033 25791 3468 1 9 . 1 1 52 52 GLN H H 52 8.187 8.187 8.095 0.092 25791 3469 1 9 . 1 1 53 53 LEU N N 53 121.233 121.233 121.321 -0.088 25791 3470 1 9 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.850 -0.009 25791 3471 1 9 . 1 1 53 53 LEU C C 53 179.191 179.191 177.977 1.214 25791 3472 1 9 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.741 0.004 25791 3473 1 9 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.179 0.687 25791 3474 1 9 . 1 1 53 53 LEU H H 53 8.441 8.441 8.155 0.286 25791 3475 1 9 . 1 1 54 54 TYR N N 54 118.505 118.505 119.260 -0.755 25791 3476 1 9 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.926 0.392 25791 3477 1 9 . 1 1 54 54 TYR C C 54 177.535 177.535 177.629 -0.094 25791 3478 1 9 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.464 -1.987 25791 3479 1 9 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.238 -0.452 25791 3480 1 9 . 1 1 54 54 TYR H H 54 7.819 7.819 8.046 -0.227 25791 3481 1 9 . 1 1 55 55 GLN N N 55 117.299 117.299 117.448 -0.149 25791 3482 1 9 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.079 -0.180 25791 3483 1 9 . 1 1 55 55 GLN C C 55 179.041 179.041 178.348 0.693 25791 3484 1 9 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.880 -0.171 25791 3485 1 9 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.521 -0.306 25791 3486 1 9 . 1 1 55 55 GLN H H 55 7.735 7.735 7.757 -0.022 25791 3487 1 9 . 1 1 56 56 VAL N N 56 120.879 120.879 120.505 0.374 25791 3488 1 9 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.571 0.221 25791 3489 1 9 . 1 1 56 56 VAL C C 56 178.262 178.262 177.727 0.535 25791 3490 1 9 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.504 -0.562 25791 3491 1 9 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.717 0.162 25791 3492 1 9 . 1 1 56 56 VAL H H 56 8.014 8.014 7.713 0.301 25791 3493 1 9 . 1 1 57 57 GLN N N 57 120.513 120.513 119.445 1.068 25791 3494 1 9 . 1 1 57 57 GLN HA H 57 4.060 4.060 4.236 -0.176 25791 3495 1 9 . 1 1 57 57 GLN C C 57 178.772 178.772 178.318 0.454 25791 3496 1 9 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.145 0.471 25791 3497 1 9 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.945 0.040 25791 3498 1 9 . 1 1 57 57 GLN H H 57 8.103 8.103 8.291 -0.188 25791 3499 1 9 . 1 1 58 58 LEU N N 58 121.244 121.244 121.351 -0.107 25791 3500 1 9 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.988 0.017 25791 3501 1 9 . 1 1 58 58 LEU C C 58 179.134 179.134 178.209 0.925 25791 3502 1 9 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.184 0.322 25791 3503 1 9 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.271 0.532 25791 3504 1 9 . 1 1 58 58 LEU H H 58 8.176 8.176 7.669 0.507 25791 3505 1 9 . 1 1 59 59 ALA N N 59 121.608 121.608 121.318 0.290 25791 3506 1 9 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.908 0.257 25791 3507 1 9 . 1 1 59 59 ALA C C 59 180.497 180.497 179.906 0.591 25791 3508 1 9 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.238 -0.656 25791 3509 1 9 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.136 -0.083 25791 3510 1 9 . 1 1 59 59 ALA H H 59 7.833 7.833 7.963 -0.130 25791 3511 1 9 . 1 1 60 60 GLN N N 60 118.335 118.335 117.738 0.597 25791 3512 1 9 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.925 0.223 25791 3513 1 9 . 1 1 60 60 GLN C C 60 178.334 178.334 178.451 -0.117 25791 3514 1 9 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.759 -0.782 25791 3515 1 9 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.651 -0.216 25791 3516 1 9 . 1 1 60 60 GLN H H 60 8.081 8.081 7.972 0.109 25791 3517 1 9 . 1 1 61 61 GLN N N 61 120.206 120.206 119.900 0.306 25791 3518 1 9 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.961 0.201 25791 3519 1 9 . 1 1 61 61 GLN C C 61 178.002 178.002 178.544 -0.542 25791 3520 1 9 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.887 -0.982 25791 3521 1 9 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.548 0.031 25791 3522 1 9 . 1 1 61 61 GLN H H 61 8.111 8.111 8.050 0.061 25791 3523 1 9 . 1 1 62 62 GLN N N 62 118.980 118.980 118.324 0.656 25791 3524 1 9 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.030 0.099 25791 3525 1 9 . 1 1 62 62 GLN C C 62 177.624 177.624 178.258 -0.634 25791 3526 1 9 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.781 -1.145 25791 3527 1 9 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.526 0.110 25791 3528 1 9 . 1 1 62 62 GLN H H 62 8.203 8.203 8.573 -0.370 25791 3529 1 9 . 1 1 63 63 ALA N N 63 122.712 122.712 121.566 1.146 25791 3530 1 9 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.162 0.044 25791 3531 1 9 . 1 1 63 63 ALA C C 63 178.922 178.922 178.811 0.111 25791 3532 1 9 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.336 -0.440 25791 3533 1 9 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.166 0.293 25791 3534 1 9 . 1 1 63 63 ALA H H 63 8.004 8.004 7.842 0.162 25791 3535 1 9 . 1 1 64 64 ALA N N 64 120.813 120.813 120.429 0.384 25791 3536 1 9 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.170 0.062 25791 3537 1 9 . 1 1 64 64 ALA C C 64 178.732 178.732 178.619 0.113 25791 3538 1 9 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.066 -0.549 25791 3539 1 9 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.212 -0.582 25791 3540 1 9 . 1 1 64 64 ALA H H 64 7.837 7.837 7.634 0.203 25791 3541 1 9 . 1 1 65 65 LEU N N 65 119.196 119.196 118.183 1.013 25791 3542 1 9 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.338 -0.081 25791 3543 1 9 . 1 1 65 65 LEU C C 65 178.038 178.038 177.976 0.062 25791 3544 1 9 . 1 1 65 65 LEU CA C 65 55.822 55.822 55.938 -0.116 25791 3545 1 9 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.399 -0.135 25791 3546 1 9 . 1 1 65 65 LEU H H 65 7.765 7.765 7.585 0.180 25791 3547 1 9 . 1 1 66 66 GLN N N 66 119.365 119.365 113.975 5.390 25791 3548 1 9 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.920 0.355 25791 3549 1 9 . 1 1 66 66 GLN C C 66 176.120 176.120 177.092 -0.972 25791 3550 1 9 . 1 1 66 66 GLN CA C 66 56.067 56.067 57.128 -1.061 25791 3551 1 9 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.972 2.160 25791 3552 1 9 . 1 1 66 66 GLN H H 66 7.967 7.967 8.243 -0.276 25791 3553 1 9 . 1 1 67 67 LYS N N 67 121.521 121.521 120.142 1.379 25791 3554 1 9 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.211 0.098 25791 3555 1 9 . 1 1 67 67 LYS C C 67 176.437 176.437 176.105 0.332 25791 3556 1 9 . 1 1 67 67 LYS CA C 67 56.389 56.389 55.619 0.770 25791 3557 1 9 . 1 1 67 67 LYS CB C 67 33.041 33.041 31.228 1.813 25791 3558 1 9 . 1 1 67 67 LYS H H 67 8.053 8.053 8.168 -0.115 25791 3559 1 9 . 1 1 68 68 GLN N N 68 121.970 121.970 119.357 2.613 25791 3560 1 9 . 1 1 68 68 GLN HA H 68 4.339 4.339 3.914 0.425 25791 3561 1 9 . 1 1 68 68 GLN C C 68 175.120 175.120 175.522 -0.402 25791 3562 1 9 . 1 1 68 68 GLN CA C 68 56.000 56.000 56.418 -0.418 25791 3563 1 9 . 1 1 68 68 GLN CB C 68 29.498 29.498 27.735 1.763 25791 3564 1 9 . 1 1 68 68 GLN H H 68 8.314 8.314 7.929 0.385 25791 3565 1 10 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.608 -0.161 25791 3566 1 10 . 1 1 2 2 GLN C C 2 176.144 176.144 175.468 0.676 25791 3567 1 10 . 1 1 2 2 GLN CA C 2 56.209 56.209 54.886 1.323 25791 3568 1 10 . 1 1 2 2 GLN CB C 2 29.459 29.459 31.146 -1.687 25791 3569 1 10 . 1 1 3 3 GLN N N 3 122.052 122.052 121.341 0.711 25791 3570 1 10 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.229 0.094 25791 3571 1 10 . 1 1 3 3 GLN C C 3 176.988 176.988 177.820 -0.832 25791 3572 1 10 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.705 -1.302 25791 3573 1 10 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.687 0.552 25791 3574 1 10 . 1 1 3 3 GLN H H 3 8.780 8.780 8.758 0.022 25791 3575 1 10 . 1 1 4 4 LYS N N 4 121.855 121.855 119.568 2.287 25791 3576 1 10 . 1 1 4 4 LYS HA H 4 4.004 4.004 3.978 0.026 25791 3577 1 10 . 1 1 4 4 LYS C C 4 177.638 177.638 178.514 -0.876 25791 3578 1 10 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.217 1.022 25791 3579 1 10 . 1 1 4 4 LYS CB C 4 32.699 32.699 31.839 0.860 25791 3580 1 10 . 1 1 4 4 LYS H H 4 8.528 8.528 8.258 0.270 25791 3581 1 10 . 1 1 5 5 GLN N N 5 116.397 116.397 118.026 -1.629 25791 3582 1 10 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.964 -0.023 25791 3583 1 10 . 1 1 5 5 GLN C C 5 178.761 178.761 178.274 0.487 25791 3584 1 10 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.987 0.362 25791 3585 1 10 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.237 -0.287 25791 3586 1 10 . 1 1 5 5 GLN H H 5 8.223 8.223 7.843 0.380 25791 3587 1 10 . 1 1 6 6 GLN N N 6 119.262 119.262 118.788 0.474 25791 3588 1 10 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.115 0.013 25791 3589 1 10 . 1 1 6 6 GLN C C 6 179.018 179.018 178.426 0.592 25791 3590 1 10 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.652 0.437 25791 3591 1 10 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.068 0.642 25791 3592 1 10 . 1 1 6 6 GLN H H 6 7.848 7.848 7.749 0.099 25791 3593 1 10 . 1 1 7 7 ILE N N 7 121.296 121.296 121.979 -0.683 25791 3594 1 10 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.874 -0.291 25791 3595 1 10 . 1 1 7 7 ILE C C 7 177.833 177.833 178.233 -0.400 25791 3596 1 10 . 1 1 7 7 ILE CA C 7 65.129 65.129 63.248 1.881 25791 3597 1 10 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.118 1.088 25791 3598 1 10 . 1 1 7 7 ILE H H 7 8.095 8.095 7.405 0.690 25791 3599 1 10 . 1 1 8 8 MET N N 8 117.603 117.603 118.967 -1.364 25791 3600 1 10 . 1 1 8 8 MET HA H 8 3.985 3.985 4.050 -0.065 25791 3601 1 10 . 1 1 8 8 MET C C 8 177.355 177.355 178.595 -1.240 25791 3602 1 10 . 1 1 8 8 MET CA C 8 59.932 59.932 59.486 0.446 25791 3603 1 10 . 1 1 8 8 MET CB C 8 32.721 32.721 31.995 0.726 25791 3604 1 10 . 1 1 8 8 MET H H 8 8.672 8.672 8.396 0.276 25791 3605 1 10 . 1 1 9 9 ALA N N 9 118.774 118.774 121.639 -2.865 25791 3606 1 10 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.010 0.036 25791 3607 1 10 . 1 1 9 9 ALA C C 9 180.546 180.546 179.239 1.307 25791 3608 1 10 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.239 0.146 25791 3609 1 10 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.915 -0.017 25791 3610 1 10 . 1 1 9 9 ALA H H 9 7.795 7.795 8.461 -0.666 25791 3611 1 10 . 1 1 10 10 ALA N N 10 120.854 120.854 121.435 -0.581 25791 3612 1 10 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.031 0.174 25791 3613 1 10 . 1 1 10 10 ALA C C 10 181.200 181.200 179.500 1.700 25791 3614 1 10 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.707 0.305 25791 3615 1 10 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.460 0.801 25791 3616 1 10 . 1 1 10 10 ALA H H 10 7.438 7.438 7.544 -0.106 25791 3617 1 10 . 1 1 11 11 LEU N N 11 120.775 120.775 118.570 2.205 25791 3618 1 10 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.789 -0.041 25791 3619 1 10 . 1 1 11 11 LEU C C 11 179.041 179.041 179.279 -0.238 25791 3620 1 10 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.862 0.484 25791 3621 1 10 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.196 -1.218 25791 3622 1 10 . 1 1 11 11 LEU H H 11 8.757 8.757 8.657 0.100 25791 3623 1 10 . 1 1 12 12 ASN N N 12 116.313 116.313 118.353 -2.040 25791 3624 1 10 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.591 -0.027 25791 3625 1 10 . 1 1 12 12 ASN C C 12 178.900 178.900 177.881 1.019 25791 3626 1 10 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.835 -1.770 25791 3627 1 10 . 1 1 12 12 ASN CB C 12 36.993 36.993 37.959 -0.966 25791 3628 1 10 . 1 1 12 12 ASN H H 12 8.850 8.850 8.464 0.386 25791 3629 1 10 . 1 1 13 13 SER N N 13 114.747 114.747 116.474 -1.727 25791 3630 1 10 . 1 1 13 13 SER HA H 13 4.370 4.370 4.151 0.219 25791 3631 1 10 . 1 1 13 13 SER C C 13 176.515 176.515 176.885 -0.370 25791 3632 1 10 . 1 1 13 13 SER CA C 13 61.141 61.141 61.394 -0.253 25791 3633 1 10 . 1 1 13 13 SER CB C 13 63.044 63.044 63.227 -0.183 25791 3634 1 10 . 1 1 13 13 SER H H 13 7.672 7.672 7.945 -0.273 25791 3635 1 10 . 1 1 14 14 GLN N N 14 119.954 119.954 119.035 0.919 25791 3636 1 10 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.193 0.025 25791 3637 1 10 . 1 1 14 14 GLN C C 14 178.208 178.208 176.703 1.505 25791 3638 1 10 . 1 1 14 14 GLN CA C 14 57.749 57.749 58.069 -0.320 25791 3639 1 10 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.614 0.086 25791 3640 1 10 . 1 1 14 14 GLN H H 14 7.573 7.573 7.892 -0.319 25791 3641 1 10 . 1 1 15 15 THR N N 15 107.493 107.493 105.978 1.515 25791 3642 1 10 . 1 1 15 15 THR HA H 15 3.899 3.899 4.429 -0.530 25791 3643 1 10 . 1 1 15 15 THR C C 15 174.683 174.683 174.779 -0.096 25791 3644 1 10 . 1 1 15 15 THR CA C 15 61.551 61.551 59.762 1.789 25791 3645 1 10 . 1 1 15 15 THR CB C 15 69.226 69.226 69.170 0.056 25791 3646 1 10 . 1 1 15 15 THR H H 15 7.741 7.741 7.205 0.536 25791 3647 1 10 . 1 1 16 16 ALA N N 16 124.034 124.034 125.802 -1.768 25791 3648 1 10 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.021 0.114 25791 3649 1 10 . 1 1 16 16 ALA C C 16 179.899 179.899 178.625 1.274 25791 3650 1 10 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.540 0.667 25791 3651 1 10 . 1 1 16 16 ALA CB C 16 18.724 18.724 17.969 0.755 25791 3652 1 10 . 1 1 16 16 ALA H H 16 6.873 6.873 7.449 -0.576 25791 3653 1 10 . 1 1 17 17 VAL N N 17 117.150 117.150 118.507 -1.357 25791 3654 1 10 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.677 0.037 25791 3655 1 10 . 1 1 17 17 VAL C C 17 178.537 178.537 177.188 1.349 25791 3656 1 10 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.134 1.374 25791 3657 1 10 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.503 0.190 25791 3658 1 10 . 1 1 17 17 VAL H H 17 8.162 8.162 8.434 -0.272 25791 3659 1 10 . 1 1 18 18 GLN N N 18 119.489 119.489 119.253 0.236 25791 3660 1 10 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.032 0.025 25791 3661 1 10 . 1 1 18 18 GLN C C 18 180.429 180.429 178.629 1.800 25791 3662 1 10 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.094 0.605 25791 3663 1 10 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.351 0.835 25791 3664 1 10 . 1 1 18 18 GLN H H 18 8.451 8.451 7.855 0.596 25791 3665 1 10 . 1 1 19 19 PHE N N 19 117.940 117.940 118.814 -0.874 25791 3666 1 10 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.424 0.406 25791 3667 1 10 . 1 1 19 19 PHE C C 19 177.858 177.858 178.375 -0.517 25791 3668 1 10 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.845 -1.816 25791 3669 1 10 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.123 -2.218 25791 3670 1 10 . 1 1 19 19 PHE H H 19 8.924 8.924 8.626 0.298 25791 3671 1 10 . 1 1 20 20 GLN N N 20 120.297 120.297 119.314 0.983 25791 3672 1 10 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.983 0.123 25791 3673 1 10 . 1 1 20 20 GLN C C 20 178.986 178.986 178.669 0.317 25791 3674 1 10 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.678 -0.115 25791 3675 1 10 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.511 -0.616 25791 3676 1 10 . 1 1 20 20 GLN H H 20 8.264 8.264 8.175 0.089 25791 3677 1 10 . 1 1 21 21 GLN N N 21 118.595 118.595 119.447 -0.852 25791 3678 1 10 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.064 0.018 25791 3679 1 10 . 1 1 21 21 GLN C C 21 178.806 178.806 178.658 0.148 25791 3680 1 10 . 1 1 21 21 GLN CA C 21 59.170 59.170 59.067 0.103 25791 3681 1 10 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.890 -0.694 25791 3682 1 10 . 1 1 21 21 GLN H H 21 8.527 8.527 8.310 0.217 25791 3683 1 10 . 1 1 22 22 TYR N N 22 119.594 119.594 121.498 -1.904 25791 3684 1 10 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.545 -0.298 25791 3685 1 10 . 1 1 22 22 TYR C C 22 177.789 177.789 177.355 0.434 25791 3686 1 10 . 1 1 22 22 TYR CA C 22 61.712 61.712 59.812 1.900 25791 3687 1 10 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.440 0.284 25791 3688 1 10 . 1 1 22 22 TYR H H 22 7.843 7.843 8.152 -0.309 25791 3689 1 10 . 1 1 23 23 ALA N N 23 120.663 120.663 121.464 -0.801 25791 3690 1 10 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.739 0.118 25791 3691 1 10 . 1 1 23 23 ALA C C 23 179.319 179.319 178.720 0.599 25791 3692 1 10 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.910 0.680 25791 3693 1 10 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.191 0.291 25791 3694 1 10 . 1 1 23 23 ALA H H 23 8.612 8.612 8.607 0.005 25791 3695 1 10 . 1 1 24 24 ALA N N 24 119.002 119.002 120.602 -1.600 25791 3696 1 10 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.114 -0.175 25791 3697 1 10 . 1 1 24 24 ALA C C 24 178.987 178.987 179.284 -0.297 25791 3698 1 10 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.205 0.112 25791 3699 1 10 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.489 -0.598 25791 3700 1 10 . 1 1 24 24 ALA H H 24 8.168 8.168 8.102 0.066 25791 3701 1 10 . 1 1 25 25 GLN N N 25 115.599 115.599 117.246 -1.647 25791 3702 1 10 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.025 -0.021 25791 3703 1 10 . 1 1 25 25 GLN C C 25 177.818 177.818 178.418 -0.600 25791 3704 1 10 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.199 -0.745 25791 3705 1 10 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.876 -0.421 25791 3706 1 10 . 1 1 25 25 GLN H H 25 7.300 7.300 7.592 -0.292 25791 3707 1 10 . 1 1 26 26 GLN N N 26 116.989 116.989 116.407 0.582 25791 3708 1 10 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.885 -0.181 25791 3709 1 10 . 1 1 26 26 GLN C C 26 175.979 175.979 176.051 -0.072 25791 3710 1 10 . 1 1 26 26 GLN CA C 26 56.788 56.788 57.152 -0.364 25791 3711 1 10 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.549 -0.469 25791 3712 1 10 . 1 1 26 26 GLN H H 26 7.401 7.401 7.368 0.033 25791 3713 1 10 . 1 1 27 27 TYR N N 27 114.712 114.712 117.778 -3.066 25791 3714 1 10 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.870 0.208 25791 3715 1 10 . 1 1 27 27 TYR C C 27 172.931 172.931 173.644 -0.713 25791 3716 1 10 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.721 0.446 25791 3717 1 10 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.363 1.297 25791 3718 1 10 . 1 1 27 27 TYR H H 27 7.675 7.675 8.060 -0.385 25791 3719 1 10 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.362 0.000 25791 3720 1 10 . 1 1 28 28 PRO C C 28 179.333 179.333 177.960 1.373 25791 3721 1 10 . 1 1 28 28 PRO CA C 28 64.394 64.394 64.197 0.197 25791 3722 1 10 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.346 -1.093 25791 3723 1 10 . 1 1 29 29 GLY N N 29 110.091 110.091 112.168 -2.077 25791 3724 1 10 . 1 1 29 29 GLY C C 29 173.218 173.218 174.616 -1.398 25791 3725 1 10 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.218 0.694 25791 3726 1 10 . 1 1 29 29 GLY H H 29 8.826 8.826 8.713 0.113 25791 3727 1 10 . 1 1 30 30 ASN N N 30 118.603 118.603 122.440 -3.837 25791 3728 1 10 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.805 0.194 25791 3729 1 10 . 1 1 30 30 ASN C C 30 173.977 173.977 175.884 -1.907 25791 3730 1 10 . 1 1 30 30 ASN CA C 30 51.185 51.185 50.874 0.311 25791 3731 1 10 . 1 1 30 30 ASN CB C 30 38.426 38.426 37.920 0.506 25791 3732 1 10 . 1 1 30 30 ASN H H 30 7.293 7.293 7.667 -0.374 25791 3733 1 10 . 1 1 31 31 TYR N N 31 125.240 125.240 122.999 2.241 25791 3734 1 10 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.266 -0.368 25791 3735 1 10 . 1 1 31 31 TYR C C 31 177.343 177.343 177.135 0.208 25791 3736 1 10 . 1 1 31 31 TYR CA C 31 61.811 61.811 60.101 1.710 25791 3737 1 10 . 1 1 31 31 TYR CB C 31 38.357 38.357 37.356 1.001 25791 3738 1 10 . 1 1 31 31 TYR H H 31 8.509 8.509 8.045 0.464 25791 3739 1 10 . 1 1 32 32 GLU N N 32 118.993 118.993 119.998 -1.005 25791 3740 1 10 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.902 -0.002 25791 3741 1 10 . 1 1 32 32 GLU C C 32 179.549 179.549 178.890 0.659 25791 3742 1 10 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.136 0.976 25791 3743 1 10 . 1 1 32 32 GLU CB C 32 29.168 29.168 29.037 0.131 25791 3744 1 10 . 1 1 32 32 GLU H H 32 8.714 8.714 7.319 1.395 25791 3745 1 10 . 1 1 33 33 GLN N N 33 117.037 117.037 118.444 -1.407 25791 3746 1 10 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.764 -0.031 25791 3747 1 10 . 1 1 33 33 GLN C C 33 179.119 179.119 178.618 0.501 25791 3748 1 10 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.255 -0.553 25791 3749 1 10 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.988 -0.362 25791 3750 1 10 . 1 1 33 33 GLN H H 33 7.536 7.536 8.275 -0.739 25791 3751 1 10 . 1 1 34 34 GLN N N 34 117.723 117.723 119.431 -1.708 25791 3752 1 10 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.018 -0.207 25791 3753 1 10 . 1 1 34 34 GLN C C 34 177.634 177.634 178.601 -0.967 25791 3754 1 10 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.415 0.750 25791 3755 1 10 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.582 -1.081 25791 3756 1 10 . 1 1 34 34 GLN H H 34 7.968 7.968 8.251 -0.283 25791 3757 1 10 . 1 1 35 35 GLN N N 35 115.293 115.293 119.003 -3.710 25791 3758 1 10 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.101 -0.310 25791 3759 1 10 . 1 1 35 35 GLN C C 35 178.757 178.757 178.669 0.088 25791 3760 1 10 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.633 -0.023 25791 3761 1 10 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.461 -0.256 25791 3762 1 10 . 1 1 35 35 GLN H H 35 7.870 7.870 8.039 -0.169 25791 3763 1 10 . 1 1 36 36 ILE N N 36 120.769 120.769 120.466 0.303 25791 3764 1 10 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.650 -0.086 25791 3765 1 10 . 1 1 36 36 ILE C C 36 178.273 178.273 178.184 0.089 25791 3766 1 10 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.200 0.036 25791 3767 1 10 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.626 0.747 25791 3768 1 10 . 1 1 36 36 ILE H H 36 7.503 7.503 8.116 -0.613 25791 3769 1 10 . 1 1 37 37 LEU N N 37 121.056 121.056 121.326 -0.270 25791 3770 1 10 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.029 0.280 25791 3771 1 10 . 1 1 37 37 LEU C C 37 178.348 178.348 178.178 0.170 25791 3772 1 10 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.844 -0.110 25791 3773 1 10 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.695 -0.179 25791 3774 1 10 . 1 1 37 37 LEU H H 37 7.678 7.678 7.774 -0.096 25791 3775 1 10 . 1 1 38 38 ILE N N 38 119.334 119.334 119.875 -0.541 25791 3776 1 10 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.448 -0.107 25791 3777 1 10 . 1 1 38 38 ILE C C 38 177.371 177.371 177.991 -0.620 25791 3778 1 10 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.689 1.396 25791 3779 1 10 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.544 0.805 25791 3780 1 10 . 1 1 38 38 ILE H H 38 8.702 8.702 8.306 0.396 25791 3781 1 10 . 1 1 39 39 ARG N N 39 117.798 117.798 119.601 -1.803 25791 3782 1 10 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.219 -0.004 25791 3783 1 10 . 1 1 39 39 ARG C C 39 179.555 179.555 179.283 0.272 25791 3784 1 10 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.880 -0.421 25791 3785 1 10 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.960 -0.208 25791 3786 1 10 . 1 1 39 39 ARG H H 39 7.739 7.739 8.472 -0.733 25791 3787 1 10 . 1 1 40 40 GLN N N 40 119.432 119.432 118.651 0.781 25791 3788 1 10 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.057 0.080 25791 3789 1 10 . 1 1 40 40 GLN C C 40 179.522 179.522 178.496 1.026 25791 3790 1 10 . 1 1 40 40 GLN CA C 40 59.260 59.260 59.001 0.259 25791 3791 1 10 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.681 -0.323 25791 3792 1 10 . 1 1 40 40 GLN H H 40 7.811 7.811 7.611 0.200 25791 3793 1 10 . 1 1 41 41 LEU N N 41 121.592 121.592 120.246 1.346 25791 3794 1 10 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.696 -0.009 25791 3795 1 10 . 1 1 41 41 LEU C C 41 178.974 178.974 178.970 0.004 25791 3796 1 10 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.680 0.283 25791 3797 1 10 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.856 -1.004 25791 3798 1 10 . 1 1 41 41 LEU H H 41 8.648 8.648 8.135 0.513 25791 3799 1 10 . 1 1 42 42 GLN N N 42 119.054 119.054 118.391 0.663 25791 3800 1 10 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.289 0.255 25791 3801 1 10 . 1 1 42 42 GLN C C 42 180.176 180.176 178.792 1.384 25791 3802 1 10 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.394 -0.160 25791 3803 1 10 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.817 -0.897 25791 3804 1 10 . 1 1 42 42 GLN H H 42 8.641 8.641 8.517 0.124 25791 3805 1 10 . 1 1 43 43 GLU N N 43 121.517 121.517 121.147 0.370 25791 3806 1 10 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.070 0.166 25791 3807 1 10 . 1 1 43 43 GLU C C 43 179.721 179.721 178.993 0.728 25791 3808 1 10 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.637 0.030 25791 3809 1 10 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.502 -0.244 25791 3810 1 10 . 1 1 43 43 GLU H H 43 8.111 8.111 7.922 0.189 25791 3811 1 10 . 1 1 44 44 GLN N N 44 119.240 119.240 118.825 0.415 25791 3812 1 10 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.205 -0.089 25791 3813 1 10 . 1 1 44 44 GLN C C 44 179.012 179.012 178.412 0.600 25791 3814 1 10 . 1 1 44 44 GLN CA C 44 59.149 59.149 59.001 0.148 25791 3815 1 10 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.864 -0.010 25791 3816 1 10 . 1 1 44 44 GLN H H 44 8.372 8.372 8.161 0.211 25791 3817 1 10 . 1 1 45 45 HIS N N 45 121.705 121.705 120.602 1.103 25791 3818 1 10 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.294 -0.014 25791 3819 1 10 . 1 1 45 45 HIS C C 45 176.395 176.395 177.401 -1.006 25791 3820 1 10 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.116 1.243 25791 3821 1 10 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.558 1.767 25791 3822 1 10 . 1 1 45 45 HIS H H 45 9.472 9.472 8.373 1.099 25791 3823 1 10 . 1 1 46 46 TYR N N 46 119.039 119.039 120.292 -1.253 25791 3824 1 10 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.068 -0.219 25791 3825 1 10 . 1 1 46 46 TYR C C 46 176.664 176.664 177.972 -1.308 25791 3826 1 10 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.965 0.286 25791 3827 1 10 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.376 -0.704 25791 3828 1 10 . 1 1 46 46 TYR H H 46 8.253 8.253 8.451 -0.198 25791 3829 1 10 . 1 1 47 47 GLN N N 47 116.407 116.407 117.992 -1.585 25791 3830 1 10 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.722 0.062 25791 3831 1 10 . 1 1 47 47 GLN C C 47 179.048 179.048 178.309 0.739 25791 3832 1 10 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.207 -0.258 25791 3833 1 10 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.527 -0.346 25791 3834 1 10 . 1 1 47 47 GLN H H 47 7.814 7.814 8.320 -0.506 25791 3835 1 10 . 1 1 48 48 GLN N N 48 119.803 119.803 120.054 -0.251 25791 3836 1 10 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.101 -0.124 25791 3837 1 10 . 1 1 48 48 GLN C C 48 177.741 177.741 178.177 -0.436 25791 3838 1 10 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.395 -0.081 25791 3839 1 10 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.434 -0.106 25791 3840 1 10 . 1 1 48 48 GLN H H 48 8.645 8.645 8.525 0.120 25791 3841 1 10 . 1 1 49 49 TYR N N 49 121.342 121.342 121.348 -0.006 25791 3842 1 10 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.146 -0.506 25791 3843 1 10 . 1 1 49 49 TYR C C 49 176.021 176.021 177.562 -1.541 25791 3844 1 10 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.232 0.877 25791 3845 1 10 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.164 0.743 25791 3846 1 10 . 1 1 49 49 TYR H H 49 9.105 9.105 8.469 0.636 25791 3847 1 10 . 1 1 50 50 MET N N 50 115.522 115.522 118.643 -3.121 25791 3848 1 10 . 1 1 50 50 MET HA H 50 4.040 4.040 3.544 0.496 25791 3849 1 10 . 1 1 50 50 MET C C 50 179.841 179.841 178.061 1.780 25791 3850 1 10 . 1 1 50 50 MET CA C 50 56.623 56.623 58.540 -1.917 25791 3851 1 10 . 1 1 50 50 MET CB C 50 30.099 30.099 32.141 -2.042 25791 3852 1 10 . 1 1 50 50 MET H H 50 8.060 8.060 8.257 -0.197 25791 3853 1 10 . 1 1 51 51 GLN N N 51 118.942 118.942 118.431 0.511 25791 3854 1 10 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.850 0.215 25791 3855 1 10 . 1 1 51 51 GLN C C 51 178.707 178.707 178.355 0.352 25791 3856 1 10 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.118 -0.177 25791 3857 1 10 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.539 -0.050 25791 3858 1 10 . 1 1 51 51 GLN H H 51 7.830 7.830 8.054 -0.224 25791 3859 1 10 . 1 1 52 52 GLN N N 52 119.210 119.210 119.332 -0.122 25791 3860 1 10 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.086 -0.029 25791 3861 1 10 . 1 1 52 52 GLN C C 52 178.738 178.738 178.548 0.190 25791 3862 1 10 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.611 0.138 25791 3863 1 10 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.942 -0.539 25791 3864 1 10 . 1 1 52 52 GLN H H 52 8.187 8.187 8.008 0.179 25791 3865 1 10 . 1 1 53 53 LEU N N 53 121.233 121.233 121.294 -0.061 25791 3866 1 10 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.863 -0.022 25791 3867 1 10 . 1 1 53 53 LEU C C 53 179.191 179.191 177.958 1.233 25791 3868 1 10 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.731 0.014 25791 3869 1 10 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.232 0.634 25791 3870 1 10 . 1 1 53 53 LEU H H 53 8.441 8.441 8.251 0.190 25791 3871 1 10 . 1 1 54 54 TYR N N 54 118.505 118.505 118.652 -0.147 25791 3872 1 10 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.908 0.410 25791 3873 1 10 . 1 1 54 54 TYR C C 54 177.535 177.535 177.565 -0.030 25791 3874 1 10 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.207 -1.730 25791 3875 1 10 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.210 -0.424 25791 3876 1 10 . 1 1 54 54 TYR H H 54 7.819 7.819 8.030 -0.211 25791 3877 1 10 . 1 1 55 55 GLN N N 55 117.299 117.299 117.717 -0.418 25791 3878 1 10 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.090 -0.191 25791 3879 1 10 . 1 1 55 55 GLN C C 55 179.041 179.041 178.287 0.754 25791 3880 1 10 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.848 -0.139 25791 3881 1 10 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.664 -0.449 25791 3882 1 10 . 1 1 55 55 GLN H H 55 7.735 7.735 7.746 -0.011 25791 3883 1 10 . 1 1 56 56 VAL N N 56 120.879 120.879 119.892 0.987 25791 3884 1 10 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.659 0.133 25791 3885 1 10 . 1 1 56 56 VAL C C 56 178.262 178.262 177.690 0.572 25791 3886 1 10 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.885 -0.943 25791 3887 1 10 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.564 0.315 25791 3888 1 10 . 1 1 56 56 VAL H H 56 8.014 8.014 7.621 0.393 25791 3889 1 10 . 1 1 57 57 GLN N N 57 120.513 120.513 119.984 0.529 25791 3890 1 10 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.984 0.076 25791 3891 1 10 . 1 1 57 57 GLN C C 57 178.772 178.772 178.347 0.425 25791 3892 1 10 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.397 0.219 25791 3893 1 10 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.786 0.199 25791 3894 1 10 . 1 1 57 57 GLN H H 57 8.103 8.103 8.302 -0.199 25791 3895 1 10 . 1 1 58 58 LEU N N 58 121.244 121.244 121.892 -0.648 25791 3896 1 10 . 1 1 58 58 LEU HA H 58 4.005 4.005 4.083 -0.078 25791 3897 1 10 . 1 1 58 58 LEU C C 58 179.134 179.134 178.147 0.987 25791 3898 1 10 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.138 0.368 25791 3899 1 10 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.442 0.361 25791 3900 1 10 . 1 1 58 58 LEU H H 58 8.176 8.176 7.612 0.564 25791 3901 1 10 . 1 1 59 59 ALA N N 59 121.608 121.608 121.854 -0.246 25791 3902 1 10 . 1 1 59 59 ALA HA H 59 4.165 4.165 4.067 0.098 25791 3903 1 10 . 1 1 59 59 ALA C C 59 180.497 180.497 179.868 0.629 25791 3904 1 10 . 1 1 59 59 ALA CA C 59 54.582 54.582 54.909 -0.327 25791 3905 1 10 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.291 -0.238 25791 3906 1 10 . 1 1 59 59 ALA H H 59 7.833 7.833 8.022 -0.189 25791 3907 1 10 . 1 1 60 60 GLN N N 60 118.335 118.335 117.470 0.865 25791 3908 1 10 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.980 0.168 25791 3909 1 10 . 1 1 60 60 GLN C C 60 178.334 178.334 178.894 -0.560 25791 3910 1 10 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.544 -0.567 25791 3911 1 10 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.151 0.284 25791 3912 1 10 . 1 1 60 60 GLN H H 60 8.081 8.081 7.940 0.141 25791 3913 1 10 . 1 1 61 61 GLN N N 61 120.206 120.206 119.853 0.353 25791 3914 1 10 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.961 0.201 25791 3915 1 10 . 1 1 61 61 GLN C C 61 178.002 178.002 178.617 -0.615 25791 3916 1 10 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.852 -0.947 25791 3917 1 10 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.582 -0.003 25791 3918 1 10 . 1 1 61 61 GLN H H 61 8.111 8.111 8.080 0.031 25791 3919 1 10 . 1 1 62 62 GLN N N 62 118.980 118.980 119.249 -0.269 25791 3920 1 10 . 1 1 62 62 GLN HA H 62 4.129 4.129 3.959 0.170 25791 3921 1 10 . 1 1 62 62 GLN C C 62 177.624 177.624 178.378 -0.754 25791 3922 1 10 . 1 1 62 62 GLN CA C 62 57.636 57.636 59.132 -1.496 25791 3923 1 10 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.629 0.007 25791 3924 1 10 . 1 1 62 62 GLN H H 62 8.203 8.203 8.621 -0.418 25791 3925 1 10 . 1 1 63 63 ALA N N 63 122.712 122.712 121.678 1.034 25791 3926 1 10 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.156 0.050 25791 3927 1 10 . 1 1 63 63 ALA C C 63 178.922 178.922 178.797 0.125 25791 3928 1 10 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.440 -0.544 25791 3929 1 10 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.250 0.209 25791 3930 1 10 . 1 1 63 63 ALA H H 63 8.004 8.004 7.970 0.034 25791 3931 1 10 . 1 1 64 64 ALA N N 64 120.813 120.813 120.188 0.625 25791 3932 1 10 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.182 0.050 25791 3933 1 10 . 1 1 64 64 ALA C C 64 178.732 178.732 178.560 0.172 25791 3934 1 10 . 1 1 64 64 ALA CA C 64 53.516 53.516 53.956 -0.440 25791 3935 1 10 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.216 -0.586 25791 3936 1 10 . 1 1 64 64 ALA H H 64 7.837 7.837 7.727 0.110 25791 3937 1 10 . 1 1 65 65 LEU N N 65 119.196 119.196 118.499 0.697 25791 3938 1 10 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.369 -0.112 25791 3939 1 10 . 1 1 65 65 LEU C C 65 178.038 178.038 177.911 0.127 25791 3940 1 10 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.078 -0.256 25791 3941 1 10 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.396 -0.132 25791 3942 1 10 . 1 1 65 65 LEU H H 65 7.765 7.765 7.575 0.190 25791 3943 1 10 . 1 1 66 66 GLN N N 66 119.365 119.365 114.524 4.841 25791 3944 1 10 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.996 0.279 25791 3945 1 10 . 1 1 66 66 GLN C C 66 176.120 176.120 176.103 0.017 25791 3946 1 10 . 1 1 66 66 GLN CA C 66 56.067 56.067 57.117 -1.050 25791 3947 1 10 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.377 2.755 25791 3948 1 10 . 1 1 66 66 GLN H H 66 7.967 7.967 8.400 -0.433 25791 3949 1 10 . 1 1 67 67 LYS N N 67 121.521 121.521 118.418 3.103 25791 3950 1 10 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.347 -0.038 25791 3951 1 10 . 1 1 67 67 LYS C C 67 176.437 176.437 175.981 0.456 25791 3952 1 10 . 1 1 67 67 LYS CA C 67 56.389 56.389 55.540 0.849 25791 3953 1 10 . 1 1 67 67 LYS CB C 67 33.041 33.041 32.244 0.797 25791 3954 1 10 . 1 1 67 67 LYS H H 67 8.053 8.053 8.005 0.048 25791 3955 1 10 . 1 1 68 68 GLN N N 68 121.970 121.970 116.789 5.181 25791 3956 1 10 . 1 1 68 68 GLN HA H 68 4.339 4.339 3.937 0.402 25791 3957 1 10 . 1 1 68 68 GLN C C 68 175.120 175.120 174.575 0.545 25791 3958 1 10 . 1 1 68 68 GLN CA C 68 56.000 56.000 56.503 -0.503 25791 3959 1 10 . 1 1 68 68 GLN CB C 68 29.498 29.498 27.091 2.407 25791 3960 1 10 . 1 1 68 68 GLN H H 68 8.314 8.314 8.388 -0.074 25791 3961 1 11 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.491 -0.044 25791 3962 1 11 . 1 1 2 2 GLN C C 2 176.144 176.144 177.342 -1.198 25791 3963 1 11 . 1 1 2 2 GLN CA C 2 56.209 56.209 55.241 0.968 25791 3964 1 11 . 1 1 2 2 GLN CB C 2 29.459 29.459 29.829 -0.370 25791 3965 1 11 . 1 1 3 3 GLN N N 3 122.052 122.052 121.489 0.563 25791 3966 1 11 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.137 0.186 25791 3967 1 11 . 1 1 3 3 GLN C C 3 176.988 176.988 177.949 -0.961 25791 3968 1 11 . 1 1 3 3 GLN CA C 3 57.403 57.403 59.329 -1.926 25791 3969 1 11 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.551 0.688 25791 3970 1 11 . 1 1 3 3 GLN H H 3 8.780 8.780 8.747 0.033 25791 3971 1 11 . 1 1 4 4 LYS N N 4 121.855 121.855 119.176 2.679 25791 3972 1 11 . 1 1 4 4 LYS HA H 4 4.004 4.004 3.973 0.031 25791 3973 1 11 . 1 1 4 4 LYS C C 4 177.638 177.638 178.262 -0.624 25791 3974 1 11 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.248 0.991 25791 3975 1 11 . 1 1 4 4 LYS CB C 4 32.699 32.699 31.857 0.842 25791 3976 1 11 . 1 1 4 4 LYS H H 4 8.528 8.528 8.343 0.185 25791 3977 1 11 . 1 1 5 5 GLN N N 5 116.397 116.397 117.447 -1.050 25791 3978 1 11 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.974 -0.033 25791 3979 1 11 . 1 1 5 5 GLN C C 5 178.761 178.761 178.405 0.356 25791 3980 1 11 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.683 0.666 25791 3981 1 11 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.078 -0.128 25791 3982 1 11 . 1 1 5 5 GLN H H 5 8.223 8.223 7.893 0.330 25791 3983 1 11 . 1 1 6 6 GLN N N 6 119.262 119.262 118.943 0.319 25791 3984 1 11 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.126 0.002 25791 3985 1 11 . 1 1 6 6 GLN C C 6 179.018 179.018 178.319 0.699 25791 3986 1 11 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.590 0.499 25791 3987 1 11 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.152 0.558 25791 3988 1 11 . 1 1 6 6 GLN H H 6 7.848 7.848 7.704 0.144 25791 3989 1 11 . 1 1 7 7 ILE N N 7 121.296 121.296 122.184 -0.888 25791 3990 1 11 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.845 -0.262 25791 3991 1 11 . 1 1 7 7 ILE C C 7 177.833 177.833 178.261 -0.428 25791 3992 1 11 . 1 1 7 7 ILE CA C 7 65.129 65.129 63.428 1.701 25791 3993 1 11 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.070 1.136 25791 3994 1 11 . 1 1 7 7 ILE H H 7 8.095 8.095 7.413 0.682 25791 3995 1 11 . 1 1 8 8 MET N N 8 117.603 117.603 118.772 -1.169 25791 3996 1 11 . 1 1 8 8 MET HA H 8 3.985 3.985 4.065 -0.080 25791 3997 1 11 . 1 1 8 8 MET C C 8 177.355 177.355 178.598 -1.243 25791 3998 1 11 . 1 1 8 8 MET CA C 8 59.932 59.932 59.528 0.404 25791 3999 1 11 . 1 1 8 8 MET CB C 8 32.721 32.721 31.936 0.785 25791 4000 1 11 . 1 1 8 8 MET H H 8 8.672 8.672 8.496 0.176 25791 4001 1 11 . 1 1 9 9 ALA N N 9 118.774 118.774 121.720 -2.946 25791 4002 1 11 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.021 0.025 25791 4003 1 11 . 1 1 9 9 ALA C C 9 180.546 180.546 179.331 1.215 25791 4004 1 11 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.234 0.150 25791 4005 1 11 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.905 -0.007 25791 4006 1 11 . 1 1 9 9 ALA H H 9 7.795 7.795 8.341 -0.546 25791 4007 1 11 . 1 1 10 10 ALA N N 10 120.854 120.854 121.696 -0.842 25791 4008 1 11 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.041 0.164 25791 4009 1 11 . 1 1 10 10 ALA C C 10 181.200 181.200 179.455 1.745 25791 4010 1 11 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.750 0.262 25791 4011 1 11 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.445 0.816 25791 4012 1 11 . 1 1 10 10 ALA H H 10 7.438 7.438 7.836 -0.398 25791 4013 1 11 . 1 1 11 11 LEU N N 11 120.775 120.775 118.993 1.782 25791 4014 1 11 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.789 -0.041 25791 4015 1 11 . 1 1 11 11 LEU C C 11 179.041 179.041 179.284 -0.243 25791 4016 1 11 . 1 1 11 11 LEU CA C 11 58.346 58.346 58.025 0.321 25791 4017 1 11 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.204 -1.227 25791 4018 1 11 . 1 1 11 11 LEU H H 11 8.757 8.757 8.698 0.059 25791 4019 1 11 . 1 1 12 12 ASN N N 12 116.313 116.313 118.389 -2.076 25791 4020 1 11 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.623 -0.059 25791 4021 1 11 . 1 1 12 12 ASN C C 12 178.900 178.900 178.364 0.536 25791 4022 1 11 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.552 -1.487 25791 4023 1 11 . 1 1 12 12 ASN CB C 12 36.993 36.993 37.887 -0.894 25791 4024 1 11 . 1 1 12 12 ASN H H 12 8.850 8.850 8.635 0.215 25791 4025 1 11 . 1 1 13 13 SER N N 13 114.747 114.747 117.146 -2.399 25791 4026 1 11 . 1 1 13 13 SER HA H 13 4.370 4.370 4.225 0.145 25791 4027 1 11 . 1 1 13 13 SER C C 13 176.515 176.515 176.275 0.240 25791 4028 1 11 . 1 1 13 13 SER CA C 13 61.141 61.141 61.916 -0.775 25791 4029 1 11 . 1 1 13 13 SER CB C 13 63.044 63.044 63.362 -0.318 25791 4030 1 11 . 1 1 13 13 SER H H 13 7.672 7.672 8.145 -0.473 25791 4031 1 11 . 1 1 14 14 GLN N N 14 119.954 119.954 118.786 1.168 25791 4032 1 11 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.191 0.027 25791 4033 1 11 . 1 1 14 14 GLN C C 14 178.208 178.208 176.586 1.622 25791 4034 1 11 . 1 1 14 14 GLN CA C 14 57.749 57.749 58.230 -0.481 25791 4035 1 11 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.617 0.083 25791 4036 1 11 . 1 1 14 14 GLN H H 14 7.573 7.573 8.019 -0.446 25791 4037 1 11 . 1 1 15 15 THR N N 15 107.493 107.493 107.780 -0.287 25791 4038 1 11 . 1 1 15 15 THR HA H 15 3.899 3.899 4.375 -0.476 25791 4039 1 11 . 1 1 15 15 THR C C 15 174.683 174.683 174.544 0.139 25791 4040 1 11 . 1 1 15 15 THR CA C 15 61.551 61.551 60.353 1.198 25791 4041 1 11 . 1 1 15 15 THR CB C 15 69.226 69.226 69.288 -0.062 25791 4042 1 11 . 1 1 15 15 THR H H 15 7.741 7.741 7.214 0.527 25791 4043 1 11 . 1 1 16 16 ALA N N 16 124.034 124.034 126.237 -2.203 25791 4044 1 11 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.000 0.135 25791 4045 1 11 . 1 1 16 16 ALA C C 16 179.899 179.899 178.603 1.296 25791 4046 1 11 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.842 0.365 25791 4047 1 11 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.177 0.547 25791 4048 1 11 . 1 1 16 16 ALA H H 16 6.873 6.873 7.282 -0.409 25791 4049 1 11 . 1 1 17 17 VAL N N 17 117.150 117.150 118.613 -1.463 25791 4050 1 11 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.692 0.022 25791 4051 1 11 . 1 1 17 17 VAL C C 17 178.537 178.537 177.241 1.296 25791 4052 1 11 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.168 1.340 25791 4053 1 11 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.473 0.220 25791 4054 1 11 . 1 1 17 17 VAL H H 17 8.162 8.162 8.426 -0.264 25791 4055 1 11 . 1 1 18 18 GLN N N 18 119.489 119.489 119.950 -0.461 25791 4056 1 11 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.046 0.011 25791 4057 1 11 . 1 1 18 18 GLN C C 18 180.429 180.429 178.843 1.586 25791 4058 1 11 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.440 0.259 25791 4059 1 11 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.429 0.757 25791 4060 1 11 . 1 1 18 18 GLN H H 18 8.451 8.451 7.843 0.608 25791 4061 1 11 . 1 1 19 19 PHE N N 19 117.940 117.940 118.913 -0.973 25791 4062 1 11 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.445 0.385 25791 4063 1 11 . 1 1 19 19 PHE C C 19 177.858 177.858 178.388 -0.530 25791 4064 1 11 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.623 -1.594 25791 4065 1 11 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.175 -2.269 25791 4066 1 11 . 1 1 19 19 PHE H H 19 8.924 8.924 8.876 0.048 25791 4067 1 11 . 1 1 20 20 GLN N N 20 120.297 120.297 119.262 1.035 25791 4068 1 11 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.991 0.115 25791 4069 1 11 . 1 1 20 20 GLN C C 20 178.986 178.986 178.669 0.317 25791 4070 1 11 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.704 -0.141 25791 4071 1 11 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.647 -0.752 25791 4072 1 11 . 1 1 20 20 GLN H H 20 8.264 8.264 8.185 0.079 25791 4073 1 11 . 1 1 21 21 GLN N N 21 118.595 118.595 118.905 -0.310 25791 4074 1 11 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.098 -0.016 25791 4075 1 11 . 1 1 21 21 GLN C C 21 178.806 178.806 178.544 0.262 25791 4076 1 11 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.762 0.408 25791 4077 1 11 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.655 -0.459 25791 4078 1 11 . 1 1 21 21 GLN H H 21 8.527 8.527 8.432 0.095 25791 4079 1 11 . 1 1 22 22 TYR N N 22 119.594 119.594 121.533 -1.939 25791 4080 1 11 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.178 0.069 25791 4081 1 11 . 1 1 22 22 TYR C C 22 177.789 177.789 177.115 0.674 25791 4082 1 11 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.957 0.755 25791 4083 1 11 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.335 0.389 25791 4084 1 11 . 1 1 22 22 TYR H H 22 7.843 7.843 8.334 -0.491 25791 4085 1 11 . 1 1 23 23 ALA N N 23 120.663 120.663 121.164 -0.501 25791 4086 1 11 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.782 0.075 25791 4087 1 11 . 1 1 23 23 ALA C C 23 179.319 179.319 178.731 0.588 25791 4088 1 11 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.895 0.694 25791 4089 1 11 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.192 0.290 25791 4090 1 11 . 1 1 23 23 ALA H H 23 8.612 8.612 8.359 0.253 25791 4091 1 11 . 1 1 24 24 ALA N N 24 119.002 119.002 121.146 -2.144 25791 4092 1 11 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.062 -0.124 25791 4093 1 11 . 1 1 24 24 ALA C C 24 178.987 178.987 178.887 0.100 25791 4094 1 11 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.300 0.017 25791 4095 1 11 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.354 -0.463 25791 4096 1 11 . 1 1 24 24 ALA H H 24 8.168 8.168 7.983 0.185 25791 4097 1 11 . 1 1 25 25 GLN N N 25 115.599 115.599 116.894 -1.295 25791 4098 1 11 . 1 1 25 25 GLN HA H 25 4.004 4.004 3.988 0.016 25791 4099 1 11 . 1 1 25 25 GLN C C 25 177.818 177.818 178.250 -0.432 25791 4100 1 11 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.195 -0.741 25791 4101 1 11 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.875 -0.420 25791 4102 1 11 . 1 1 25 25 GLN H H 25 7.300 7.300 7.714 -0.414 25791 4103 1 11 . 1 1 26 26 GLN N N 26 116.989 116.989 116.494 0.495 25791 4104 1 11 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.811 -0.107 25791 4105 1 11 . 1 1 26 26 GLN C C 26 175.979 175.979 176.056 -0.077 25791 4106 1 11 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.954 -0.166 25791 4107 1 11 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.405 -0.325 25791 4108 1 11 . 1 1 26 26 GLN H H 26 7.401 7.401 7.333 0.068 25791 4109 1 11 . 1 1 27 27 TYR N N 27 114.712 114.712 117.725 -3.013 25791 4110 1 11 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.889 0.189 25791 4111 1 11 . 1 1 27 27 TYR C C 27 172.931 172.931 173.698 -0.767 25791 4112 1 11 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.465 0.702 25791 4113 1 11 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.115 1.545 25791 4114 1 11 . 1 1 27 27 TYR H H 27 7.675 7.675 7.980 -0.305 25791 4115 1 11 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.332 0.030 25791 4116 1 11 . 1 1 28 28 PRO C C 28 179.333 179.333 177.903 1.430 25791 4117 1 11 . 1 1 28 28 PRO CA C 28 64.394 64.394 64.156 0.238 25791 4118 1 11 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.379 -1.125 25791 4119 1 11 . 1 1 29 29 GLY N N 29 110.091 110.091 112.830 -2.739 25791 4120 1 11 . 1 1 29 29 GLY C C 29 173.218 173.218 174.825 -1.607 25791 4121 1 11 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.326 0.586 25791 4122 1 11 . 1 1 29 29 GLY H H 29 8.826 8.826 8.751 0.075 25791 4123 1 11 . 1 1 30 30 ASN N N 30 118.603 118.603 123.489 -4.886 25791 4124 1 11 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.912 0.087 25791 4125 1 11 . 1 1 30 30 ASN C C 30 173.977 173.977 175.716 -1.739 25791 4126 1 11 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.123 0.062 25791 4127 1 11 . 1 1 30 30 ASN CB C 30 38.426 38.426 37.276 1.149 25791 4128 1 11 . 1 1 30 30 ASN H H 30 7.293 7.293 7.759 -0.466 25791 4129 1 11 . 1 1 31 31 TYR N N 31 125.240 125.240 121.701 3.539 25791 4130 1 11 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.227 -0.329 25791 4131 1 11 . 1 1 31 31 TYR C C 31 177.343 177.343 176.848 0.495 25791 4132 1 11 . 1 1 31 31 TYR CA C 31 61.811 61.811 61.063 0.748 25791 4133 1 11 . 1 1 31 31 TYR CB C 31 38.357 38.357 37.378 0.979 25791 4134 1 11 . 1 1 31 31 TYR H H 31 8.509 8.509 7.871 0.638 25791 4135 1 11 . 1 1 32 32 GLU N N 32 118.993 118.993 118.336 0.657 25791 4136 1 11 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.871 0.029 25791 4137 1 11 . 1 1 32 32 GLU C C 32 179.549 179.549 178.697 0.852 25791 4138 1 11 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.014 1.098 25791 4139 1 11 . 1 1 32 32 GLU CB C 32 29.168 29.168 27.781 1.387 25791 4140 1 11 . 1 1 32 32 GLU H H 32 8.714 8.714 7.668 1.046 25791 4141 1 11 . 1 1 33 33 GLN N N 33 117.037 117.037 119.067 -2.030 25791 4142 1 11 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.911 -0.178 25791 4143 1 11 . 1 1 33 33 GLN C C 33 179.119 179.119 178.552 0.567 25791 4144 1 11 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.284 -0.582 25791 4145 1 11 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.641 -0.015 25791 4146 1 11 . 1 1 33 33 GLN H H 33 7.536 7.536 8.165 -0.629 25791 4147 1 11 . 1 1 34 34 GLN N N 34 117.723 117.723 119.863 -2.140 25791 4148 1 11 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.082 -0.271 25791 4149 1 11 . 1 1 34 34 GLN C C 34 177.634 177.634 178.659 -1.025 25791 4150 1 11 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.598 0.567 25791 4151 1 11 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.599 -1.098 25791 4152 1 11 . 1 1 34 34 GLN H H 34 7.968 7.968 8.549 -0.581 25791 4153 1 11 . 1 1 35 35 GLN N N 35 115.293 115.293 118.936 -3.643 25791 4154 1 11 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.131 -0.340 25791 4155 1 11 . 1 1 35 35 GLN C C 35 178.757 178.757 178.704 0.053 25791 4156 1 11 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.705 -0.095 25791 4157 1 11 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.548 -0.343 25791 4158 1 11 . 1 1 35 35 GLN H H 35 7.870 7.870 8.045 -0.175 25791 4159 1 11 . 1 1 36 36 ILE N N 36 120.769 120.769 121.017 -0.248 25791 4160 1 11 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.660 -0.096 25791 4161 1 11 . 1 1 36 36 ILE C C 36 178.273 178.273 178.076 0.197 25791 4162 1 11 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.247 -0.011 25791 4163 1 11 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.717 0.656 25791 4164 1 11 . 1 1 36 36 ILE H H 36 7.503 7.503 8.080 -0.577 25791 4165 1 11 . 1 1 37 37 LEU N N 37 121.056 121.056 121.451 -0.395 25791 4166 1 11 . 1 1 37 37 LEU HA H 37 4.309 4.309 3.934 0.375 25791 4167 1 11 . 1 1 37 37 LEU C C 37 178.348 178.348 178.632 -0.284 25791 4168 1 11 . 1 1 37 37 LEU CA C 37 57.734 57.734 58.285 -0.551 25791 4169 1 11 . 1 1 37 37 LEU CB C 37 41.516 41.516 42.305 -0.789 25791 4170 1 11 . 1 1 37 37 LEU H H 37 7.678 7.678 8.233 -0.555 25791 4171 1 11 . 1 1 38 38 ILE N N 38 119.334 119.334 119.055 0.279 25791 4172 1 11 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.491 -0.150 25791 4173 1 11 . 1 1 38 38 ILE C C 38 177.371 177.371 177.987 -0.616 25791 4174 1 11 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.493 1.592 25791 4175 1 11 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.700 0.649 25791 4176 1 11 . 1 1 38 38 ILE H H 38 8.702 8.702 8.326 0.376 25791 4177 1 11 . 1 1 39 39 ARG N N 39 117.798 117.798 118.791 -0.993 25791 4178 1 11 . 1 1 39 39 ARG HA H 39 4.215 4.215 3.969 0.246 25791 4179 1 11 . 1 1 39 39 ARG C C 39 179.555 179.555 178.923 0.632 25791 4180 1 11 . 1 1 39 39 ARG CA C 39 59.459 59.459 60.258 -0.799 25791 4181 1 11 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.811 -0.059 25791 4182 1 11 . 1 1 39 39 ARG H H 39 7.739 7.739 8.448 -0.709 25791 4183 1 11 . 1 1 40 40 GLN N N 40 119.432 119.432 118.951 0.481 25791 4184 1 11 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.063 0.074 25791 4185 1 11 . 1 1 40 40 GLN C C 40 179.522 179.522 178.573 0.949 25791 4186 1 11 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.627 0.632 25791 4187 1 11 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.457 -0.099 25791 4188 1 11 . 1 1 40 40 GLN H H 40 7.811 7.811 7.623 0.188 25791 4189 1 11 . 1 1 41 41 LEU N N 41 121.592 121.592 120.785 0.807 25791 4190 1 11 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.791 -0.104 25791 4191 1 11 . 1 1 41 41 LEU C C 41 178.974 178.974 178.907 0.067 25791 4192 1 11 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.759 0.204 25791 4193 1 11 . 1 1 41 41 LEU CB C 41 39.852 39.852 41.161 -1.309 25791 4194 1 11 . 1 1 41 41 LEU H H 41 8.648 8.648 7.956 0.692 25791 4195 1 11 . 1 1 42 42 GLN N N 42 119.054 119.054 118.582 0.472 25791 4196 1 11 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.363 0.181 25791 4197 1 11 . 1 1 42 42 GLN C C 42 180.176 180.176 178.771 1.405 25791 4198 1 11 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.512 -0.278 25791 4199 1 11 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.828 -0.908 25791 4200 1 11 . 1 1 42 42 GLN H H 42 8.641 8.641 8.624 0.017 25791 4201 1 11 . 1 1 43 43 GLU N N 43 121.517 121.517 121.146 0.371 25791 4202 1 11 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.086 0.150 25791 4203 1 11 . 1 1 43 43 GLU C C 43 179.721 179.721 178.999 0.722 25791 4204 1 11 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.647 0.020 25791 4205 1 11 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.486 -0.228 25791 4206 1 11 . 1 1 43 43 GLU H H 43 8.111 8.111 7.817 0.294 25791 4207 1 11 . 1 1 44 44 GLN N N 44 119.240 119.240 118.415 0.825 25791 4208 1 11 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.013 0.103 25791 4209 1 11 . 1 1 44 44 GLN C C 44 179.012 179.012 178.351 0.661 25791 4210 1 11 . 1 1 44 44 GLN CA C 44 59.149 59.149 59.200 -0.051 25791 4211 1 11 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.709 0.145 25791 4212 1 11 . 1 1 44 44 GLN H H 44 8.372 8.372 8.231 0.141 25791 4213 1 11 . 1 1 45 45 HIS N N 45 121.705 121.705 120.734 0.971 25791 4214 1 11 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.287 -0.007 25791 4215 1 11 . 1 1 45 45 HIS C C 45 176.395 176.395 177.315 -0.920 25791 4216 1 11 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.150 1.209 25791 4217 1 11 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.550 1.775 25791 4218 1 11 . 1 1 45 45 HIS H H 45 9.472 9.472 8.391 1.081 25791 4219 1 11 . 1 1 46 46 TYR N N 46 119.039 119.039 120.589 -1.550 25791 4220 1 11 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.087 -0.238 25791 4221 1 11 . 1 1 46 46 TYR C C 46 176.664 176.664 178.064 -1.400 25791 4222 1 11 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.772 0.479 25791 4223 1 11 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.474 -0.802 25791 4224 1 11 . 1 1 46 46 TYR H H 46 8.253 8.253 8.414 -0.161 25791 4225 1 11 . 1 1 47 47 GLN N N 47 116.407 116.407 117.728 -1.321 25791 4226 1 11 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.813 -0.029 25791 4227 1 11 . 1 1 47 47 GLN C C 47 179.048 179.048 178.514 0.534 25791 4228 1 11 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.465 -0.515 25791 4229 1 11 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.196 -0.015 25791 4230 1 11 . 1 1 47 47 GLN H H 47 7.814 7.814 8.725 -0.911 25791 4231 1 11 . 1 1 48 48 GLN N N 48 119.803 119.803 119.854 -0.051 25791 4232 1 11 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.065 -0.088 25791 4233 1 11 . 1 1 48 48 GLN C C 48 177.741 177.741 178.291 -0.550 25791 4234 1 11 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.601 -0.287 25791 4235 1 11 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.477 -0.149 25791 4236 1 11 . 1 1 48 48 GLN H H 48 8.645 8.645 8.647 -0.002 25791 4237 1 11 . 1 1 49 49 TYR N N 49 121.342 121.342 121.526 -0.184 25791 4238 1 11 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.158 -0.518 25791 4239 1 11 . 1 1 49 49 TYR C C 49 176.021 176.021 177.524 -1.503 25791 4240 1 11 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.155 0.954 25791 4241 1 11 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.271 0.636 25791 4242 1 11 . 1 1 49 49 TYR H H 49 9.105 9.105 8.494 0.611 25791 4243 1 11 . 1 1 50 50 MET N N 50 115.522 115.522 118.778 -3.256 25791 4244 1 11 . 1 1 50 50 MET HA H 50 4.040 4.040 3.516 0.524 25791 4245 1 11 . 1 1 50 50 MET C C 50 179.841 179.841 178.256 1.585 25791 4246 1 11 . 1 1 50 50 MET CA C 50 56.623 56.623 56.730 -0.107 25791 4247 1 11 . 1 1 50 50 MET CB C 50 30.099 30.099 31.497 -1.398 25791 4248 1 11 . 1 1 50 50 MET H H 50 8.060 8.060 8.298 -0.238 25791 4249 1 11 . 1 1 51 51 GLN N N 51 118.942 118.942 117.760 1.182 25791 4250 1 11 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.868 0.197 25791 4251 1 11 . 1 1 51 51 GLN C C 51 178.707 178.707 178.542 0.165 25791 4252 1 11 . 1 1 51 51 GLN CA C 51 58.941 58.941 58.856 0.085 25791 4253 1 11 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.449 0.040 25791 4254 1 11 . 1 1 51 51 GLN H H 51 7.830 7.830 8.060 -0.230 25791 4255 1 11 . 1 1 52 52 GLN N N 52 119.210 119.210 119.778 -0.568 25791 4256 1 11 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.138 -0.081 25791 4257 1 11 . 1 1 52 52 GLN C C 52 178.738 178.738 178.442 0.296 25791 4258 1 11 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.009 0.740 25791 4259 1 11 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.453 -0.050 25791 4260 1 11 . 1 1 52 52 GLN H H 52 8.187 8.187 7.802 0.385 25791 4261 1 11 . 1 1 53 53 LEU N N 53 121.233 121.233 121.713 -0.480 25791 4262 1 11 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.894 -0.053 25791 4263 1 11 . 1 1 53 53 LEU C C 53 179.191 179.191 177.941 1.250 25791 4264 1 11 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.761 -0.016 25791 4265 1 11 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.269 0.597 25791 4266 1 11 . 1 1 53 53 LEU H H 53 8.441 8.441 8.230 0.211 25791 4267 1 11 . 1 1 54 54 TYR N N 54 118.505 118.505 119.481 -0.976 25791 4268 1 11 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.893 0.425 25791 4269 1 11 . 1 1 54 54 TYR C C 54 177.535 177.535 177.446 0.089 25791 4270 1 11 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.393 -1.916 25791 4271 1 11 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.391 -0.605 25791 4272 1 11 . 1 1 54 54 TYR H H 54 7.819 7.819 8.237 -0.418 25791 4273 1 11 . 1 1 55 55 GLN N N 55 117.299 117.299 116.822 0.477 25791 4274 1 11 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.072 -0.173 25791 4275 1 11 . 1 1 55 55 GLN C C 55 179.041 179.041 178.097 0.944 25791 4276 1 11 . 1 1 55 55 GLN CA C 55 58.709 58.709 59.004 -0.295 25791 4277 1 11 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.274 -0.059 25791 4278 1 11 . 1 1 55 55 GLN H H 55 7.735 7.735 7.927 -0.192 25791 4279 1 11 . 1 1 56 56 VAL N N 56 120.879 120.879 119.023 1.856 25791 4280 1 11 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.719 0.073 25791 4281 1 11 . 1 1 56 56 VAL C C 56 178.262 178.262 177.826 0.436 25791 4282 1 11 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.013 -0.071 25791 4283 1 11 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.198 0.681 25791 4284 1 11 . 1 1 56 56 VAL H H 56 8.014 8.014 7.372 0.642 25791 4285 1 11 . 1 1 57 57 GLN N N 57 120.513 120.513 120.120 0.393 25791 4286 1 11 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.999 0.061 25791 4287 1 11 . 1 1 57 57 GLN C C 57 178.772 178.772 178.296 0.476 25791 4288 1 11 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.344 0.272 25791 4289 1 11 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.661 0.324 25791 4290 1 11 . 1 1 57 57 GLN H H 57 8.103 8.103 8.195 -0.092 25791 4291 1 11 . 1 1 58 58 LEU N N 58 121.244 121.244 121.396 -0.152 25791 4292 1 11 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.949 0.056 25791 4293 1 11 . 1 1 58 58 LEU C C 58 179.134 179.134 177.737 1.397 25791 4294 1 11 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.119 0.387 25791 4295 1 11 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.443 0.360 25791 4296 1 11 . 1 1 58 58 LEU H H 58 8.176 8.176 7.822 0.354 25791 4297 1 11 . 1 1 59 59 ALA N N 59 121.608 121.608 121.522 0.086 25791 4298 1 11 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.938 0.227 25791 4299 1 11 . 1 1 59 59 ALA C C 59 180.497 180.497 179.871 0.626 25791 4300 1 11 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.275 -0.693 25791 4301 1 11 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.035 0.018 25791 4302 1 11 . 1 1 59 59 ALA H H 59 7.833 7.833 7.841 -0.008 25791 4303 1 11 . 1 1 60 60 GLN N N 60 118.335 118.335 117.816 0.519 25791 4304 1 11 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.962 0.186 25791 4305 1 11 . 1 1 60 60 GLN C C 60 178.334 178.334 178.848 -0.514 25791 4306 1 11 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.584 -0.607 25791 4307 1 11 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.249 0.186 25791 4308 1 11 . 1 1 60 60 GLN H H 60 8.081 8.081 8.014 0.067 25791 4309 1 11 . 1 1 61 61 GLN N N 61 120.206 120.206 119.751 0.455 25791 4310 1 11 . 1 1 61 61 GLN HA H 61 4.162 4.162 4.031 0.131 25791 4311 1 11 . 1 1 61 61 GLN C C 61 178.002 178.002 178.677 -0.675 25791 4312 1 11 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.568 -0.663 25791 4313 1 11 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.224 0.355 25791 4314 1 11 . 1 1 61 61 GLN H H 61 8.111 8.111 7.972 0.139 25791 4315 1 11 . 1 1 62 62 GLN N N 62 118.980 118.980 118.791 0.189 25791 4316 1 11 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.030 0.099 25791 4317 1 11 . 1 1 62 62 GLN C C 62 177.624 177.624 178.259 -0.635 25791 4318 1 11 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.609 -0.973 25791 4319 1 11 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.559 0.077 25791 4320 1 11 . 1 1 62 62 GLN H H 62 8.203 8.203 8.506 -0.303 25791 4321 1 11 . 1 1 63 63 ALA N N 63 122.712 122.712 121.626 1.086 25791 4322 1 11 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.166 0.040 25791 4323 1 11 . 1 1 63 63 ALA C C 63 178.922 178.922 178.856 0.066 25791 4324 1 11 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.337 -0.441 25791 4325 1 11 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.184 0.275 25791 4326 1 11 . 1 1 63 63 ALA H H 63 8.004 8.004 8.106 -0.102 25791 4327 1 11 . 1 1 64 64 ALA N N 64 120.813 120.813 120.646 0.167 25791 4328 1 11 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.261 -0.029 25791 4329 1 11 . 1 1 64 64 ALA C C 64 178.732 178.732 178.896 -0.164 25791 4330 1 11 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.255 -0.739 25791 4331 1 11 . 1 1 64 64 ALA CB C 64 18.630 18.630 18.995 -0.365 25791 4332 1 11 . 1 1 64 64 ALA H H 64 7.837 7.837 7.574 0.263 25791 4333 1 11 . 1 1 65 65 LEU N N 65 119.196 119.196 118.789 0.407 25791 4334 1 11 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.293 -0.036 25791 4335 1 11 . 1 1 65 65 LEU C C 65 178.038 178.038 176.828 1.210 25791 4336 1 11 . 1 1 65 65 LEU CA C 65 55.822 55.822 55.839 -0.017 25791 4337 1 11 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.441 -0.177 25791 4338 1 11 . 1 1 65 65 LEU H H 65 7.765 7.765 7.579 0.186 25791 4339 1 11 . 1 1 66 66 GLN N N 66 119.365 119.365 114.483 4.882 25791 4340 1 11 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.923 0.352 25791 4341 1 11 . 1 1 66 66 GLN C C 66 176.120 176.120 175.816 0.304 25791 4342 1 11 . 1 1 66 66 GLN CA C 66 56.067 56.067 56.925 -0.858 25791 4343 1 11 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.765 2.367 25791 4344 1 11 . 1 1 66 66 GLN H H 66 7.967 7.967 8.405 -0.438 25791 4345 1 11 . 1 1 67 67 LYS N N 67 121.521 121.521 117.323 4.198 25791 4346 1 11 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.392 -0.083 25791 4347 1 11 . 1 1 67 67 LYS C C 67 176.437 176.437 174.976 1.461 25791 4348 1 11 . 1 1 67 67 LYS CA C 67 56.389 56.389 56.138 0.251 25791 4349 1 11 . 1 1 67 67 LYS CB C 67 33.041 33.041 33.444 -0.403 25791 4350 1 11 . 1 1 67 67 LYS H H 67 8.053 8.053 8.264 -0.211 25791 4351 1 11 . 1 1 68 68 GLN N N 68 121.970 121.970 119.170 2.800 25791 4352 1 11 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.506 -0.167 25791 4353 1 11 . 1 1 68 68 GLN C C 68 175.120 175.120 175.596 -0.476 25791 4354 1 11 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.517 0.484 25791 4355 1 11 . 1 1 68 68 GLN CB C 68 29.498 29.498 29.764 -0.266 25791 4356 1 11 . 1 1 68 68 GLN H H 68 8.314 8.314 8.020 0.294 25791 4357 1 12 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.165 0.282 25791 4358 1 12 . 1 1 2 2 GLN C C 2 176.144 176.144 177.411 -1.267 25791 4359 1 12 . 1 1 2 2 GLN CA C 2 56.209 56.209 58.577 -2.368 25791 4360 1 12 . 1 1 2 2 GLN CB C 2 29.459 29.459 27.630 1.829 25791 4361 1 12 . 1 1 3 3 GLN N N 3 122.052 122.052 117.067 4.985 25791 4362 1 12 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.417 -0.094 25791 4363 1 12 . 1 1 3 3 GLN C C 3 176.988 176.988 177.904 -0.916 25791 4364 1 12 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.432 -1.029 25791 4365 1 12 . 1 1 3 3 GLN CB C 3 29.239 29.239 27.793 1.446 25791 4366 1 12 . 1 1 3 3 GLN H H 3 8.780 8.780 8.670 0.110 25791 4367 1 12 . 1 1 4 4 LYS N N 4 121.855 121.855 120.642 1.213 25791 4368 1 12 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.277 -0.273 25791 4369 1 12 . 1 1 4 4 LYS C C 4 177.638 177.638 178.576 -0.938 25791 4370 1 12 . 1 1 4 4 LYS CA C 4 60.239 60.239 58.722 1.517 25791 4371 1 12 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.605 0.094 25791 4372 1 12 . 1 1 4 4 LYS H H 4 8.528 8.528 7.688 0.840 25791 4373 1 12 . 1 1 5 5 GLN N N 5 116.397 116.397 118.786 -2.389 25791 4374 1 12 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.925 0.016 25791 4375 1 12 . 1 1 5 5 GLN C C 5 178.761 178.761 178.590 0.171 25791 4376 1 12 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.712 0.637 25791 4377 1 12 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.215 -0.265 25791 4378 1 12 . 1 1 5 5 GLN H H 5 8.223 8.223 7.587 0.636 25791 4379 1 12 . 1 1 6 6 GLN N N 6 119.262 119.262 118.237 1.025 25791 4380 1 12 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.095 0.033 25791 4381 1 12 . 1 1 6 6 GLN C C 6 179.018 179.018 178.376 0.642 25791 4382 1 12 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.789 0.300 25791 4383 1 12 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.156 0.554 25791 4384 1 12 . 1 1 6 6 GLN H H 6 7.848 7.848 8.006 -0.158 25791 4385 1 12 . 1 1 7 7 ILE N N 7 121.296 121.296 121.169 0.127 25791 4386 1 12 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.839 -0.256 25791 4387 1 12 . 1 1 7 7 ILE C C 7 177.833 177.833 178.053 -0.220 25791 4388 1 12 . 1 1 7 7 ILE CA C 7 65.129 65.129 62.715 2.414 25791 4389 1 12 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.190 1.016 25791 4390 1 12 . 1 1 7 7 ILE H H 7 8.095 8.095 7.271 0.824 25791 4391 1 12 . 1 1 8 8 MET N N 8 117.603 117.603 119.299 -1.696 25791 4392 1 12 . 1 1 8 8 MET HA H 8 3.985 3.985 4.099 -0.114 25791 4393 1 12 . 1 1 8 8 MET C C 8 177.355 177.355 178.954 -1.599 25791 4394 1 12 . 1 1 8 8 MET CA C 8 59.932 59.932 59.583 0.349 25791 4395 1 12 . 1 1 8 8 MET CB C 8 32.721 32.721 32.098 0.623 25791 4396 1 12 . 1 1 8 8 MET H H 8 8.672 8.672 8.262 0.410 25791 4397 1 12 . 1 1 9 9 ALA N N 9 118.774 118.774 121.652 -2.878 25791 4398 1 12 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.008 0.038 25791 4399 1 12 . 1 1 9 9 ALA C C 9 180.546 180.546 179.255 1.291 25791 4400 1 12 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.178 0.207 25791 4401 1 12 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.915 -0.017 25791 4402 1 12 . 1 1 9 9 ALA H H 9 7.795 7.795 8.247 -0.452 25791 4403 1 12 . 1 1 10 10 ALA N N 10 120.854 120.854 121.262 -0.408 25791 4404 1 12 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.090 0.115 25791 4405 1 12 . 1 1 10 10 ALA C C 10 181.200 181.200 179.586 1.614 25791 4406 1 12 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.732 0.280 25791 4407 1 12 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.273 0.988 25791 4408 1 12 . 1 1 10 10 ALA H H 10 7.438 7.438 7.460 -0.022 25791 4409 1 12 . 1 1 11 11 LEU N N 11 120.775 120.775 118.928 1.847 25791 4410 1 12 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.738 0.010 25791 4411 1 12 . 1 1 11 11 LEU C C 11 179.041 179.041 179.340 -0.299 25791 4412 1 12 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.886 0.460 25791 4413 1 12 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.070 -1.093 25791 4414 1 12 . 1 1 11 11 LEU H H 11 8.757 8.757 8.548 0.209 25791 4415 1 12 . 1 1 12 12 ASN N N 12 116.313 116.313 118.144 -1.831 25791 4416 1 12 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.455 0.109 25791 4417 1 12 . 1 1 12 12 ASN C C 12 178.900 178.900 177.763 1.137 25791 4418 1 12 . 1 1 12 12 ASN CA C 12 54.065 54.065 56.382 -2.317 25791 4419 1 12 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.151 -1.158 25791 4420 1 12 . 1 1 12 12 ASN H H 12 8.850 8.850 8.529 0.321 25791 4421 1 12 . 1 1 13 13 SER N N 13 114.747 114.747 115.356 -0.609 25791 4422 1 12 . 1 1 13 13 SER HA H 13 4.370 4.370 4.189 0.181 25791 4423 1 12 . 1 1 13 13 SER C C 13 176.515 176.515 176.726 -0.211 25791 4424 1 12 . 1 1 13 13 SER CA C 13 61.141 61.141 61.285 -0.144 25791 4425 1 12 . 1 1 13 13 SER CB C 13 63.044 63.044 63.324 -0.280 25791 4426 1 12 . 1 1 13 13 SER H H 13 7.672 7.672 7.796 -0.124 25791 4427 1 12 . 1 1 14 14 GLN N N 14 119.954 119.954 117.896 2.058 25791 4428 1 12 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.283 -0.065 25791 4429 1 12 . 1 1 14 14 GLN C C 14 178.208 178.208 177.261 0.947 25791 4430 1 12 . 1 1 14 14 GLN CA C 14 57.749 57.749 57.865 -0.116 25791 4431 1 12 . 1 1 14 14 GLN CB C 14 28.700 28.700 29.026 -0.326 25791 4432 1 12 . 1 1 14 14 GLN H H 14 7.573 7.573 7.787 -0.214 25791 4433 1 12 . 1 1 15 15 THR N N 15 107.493 107.493 107.351 0.142 25791 4434 1 12 . 1 1 15 15 THR HA H 15 3.899 3.899 4.448 -0.549 25791 4435 1 12 . 1 1 15 15 THR C C 15 174.683 174.683 175.321 -0.638 25791 4436 1 12 . 1 1 15 15 THR CA C 15 61.551 61.551 60.487 1.064 25791 4437 1 12 . 1 1 15 15 THR CB C 15 69.226 69.226 69.605 -0.379 25791 4438 1 12 . 1 1 15 15 THR H H 15 7.741 7.741 7.498 0.243 25791 4439 1 12 . 1 1 16 16 ALA N N 16 124.034 124.034 126.408 -2.374 25791 4440 1 12 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.015 0.120 25791 4441 1 12 . 1 1 16 16 ALA C C 16 179.899 179.899 178.526 1.373 25791 4442 1 12 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.827 0.380 25791 4443 1 12 . 1 1 16 16 ALA CB C 16 18.724 18.724 17.946 0.778 25791 4444 1 12 . 1 1 16 16 ALA H H 16 6.873 6.873 7.758 -0.885 25791 4445 1 12 . 1 1 17 17 VAL N N 17 117.150 117.150 117.650 -0.500 25791 4446 1 12 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.817 -0.103 25791 4447 1 12 . 1 1 17 17 VAL C C 17 178.537 178.537 177.505 1.032 25791 4448 1 12 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.077 1.431 25791 4449 1 12 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.319 0.374 25791 4450 1 12 . 1 1 17 17 VAL H H 17 8.162 8.162 8.387 -0.225 25791 4451 1 12 . 1 1 18 18 GLN N N 18 119.489 119.489 119.192 0.297 25791 4452 1 12 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.102 -0.045 25791 4453 1 12 . 1 1 18 18 GLN C C 18 180.429 180.429 178.829 1.600 25791 4454 1 12 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.381 0.318 25791 4455 1 12 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.475 0.711 25791 4456 1 12 . 1 1 18 18 GLN H H 18 8.451 8.451 8.063 0.388 25791 4457 1 12 . 1 1 19 19 PHE N N 19 117.940 117.940 118.963 -1.023 25791 4458 1 12 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.452 0.378 25791 4459 1 12 . 1 1 19 19 PHE C C 19 177.858 177.858 178.298 -0.440 25791 4460 1 12 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.706 -1.677 25791 4461 1 12 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.179 -2.274 25791 4462 1 12 . 1 1 19 19 PHE H H 19 8.924 8.924 8.850 0.074 25791 4463 1 12 . 1 1 20 20 GLN N N 20 120.297 120.297 119.503 0.794 25791 4464 1 12 . 1 1 20 20 GLN HA H 20 4.106 4.106 4.056 0.050 25791 4465 1 12 . 1 1 20 20 GLN C C 20 178.986 178.986 178.598 0.388 25791 4466 1 12 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.541 0.022 25791 4467 1 12 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.549 -0.654 25791 4468 1 12 . 1 1 20 20 GLN H H 20 8.264 8.264 8.123 0.141 25791 4469 1 12 . 1 1 21 21 GLN N N 21 118.595 118.595 119.505 -0.910 25791 4470 1 12 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.050 0.032 25791 4471 1 12 . 1 1 21 21 GLN C C 21 178.806 178.806 178.649 0.157 25791 4472 1 12 . 1 1 21 21 GLN CA C 21 59.170 59.170 59.108 0.061 25791 4473 1 12 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.833 -0.637 25791 4474 1 12 . 1 1 21 21 GLN H H 21 8.527 8.527 8.377 0.150 25791 4475 1 12 . 1 1 22 22 TYR N N 22 119.594 119.594 120.568 -0.974 25791 4476 1 12 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.186 0.061 25791 4477 1 12 . 1 1 22 22 TYR C C 22 177.789 177.789 176.978 0.811 25791 4478 1 12 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.581 1.131 25791 4479 1 12 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.464 0.260 25791 4480 1 12 . 1 1 22 22 TYR H H 22 7.843 7.843 7.988 -0.145 25791 4481 1 12 . 1 1 23 23 ALA N N 23 120.663 120.663 121.448 -0.785 25791 4482 1 12 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.809 0.048 25791 4483 1 12 . 1 1 23 23 ALA C C 23 179.319 179.319 178.781 0.538 25791 4484 1 12 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.968 0.621 25791 4485 1 12 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.223 0.259 25791 4486 1 12 . 1 1 23 23 ALA H H 23 8.612 8.612 8.668 -0.056 25791 4487 1 12 . 1 1 24 24 ALA N N 24 119.002 119.002 120.863 -1.861 25791 4488 1 12 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.092 -0.154 25791 4489 1 12 . 1 1 24 24 ALA C C 24 178.987 178.987 179.224 -0.237 25791 4490 1 12 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.583 -0.266 25791 4491 1 12 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.838 -0.947 25791 4492 1 12 . 1 1 24 24 ALA H H 24 8.168 8.168 8.326 -0.158 25791 4493 1 12 . 1 1 25 25 GLN N N 25 115.599 115.599 116.442 -0.843 25791 4494 1 12 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.037 -0.033 25791 4495 1 12 . 1 1 25 25 GLN C C 25 177.818 177.818 177.855 -0.037 25791 4496 1 12 . 1 1 25 25 GLN CA C 25 57.454 57.454 57.908 -0.454 25791 4497 1 12 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.482 -0.027 25791 4498 1 12 . 1 1 25 25 GLN H H 25 7.300 7.300 7.534 -0.234 25791 4499 1 12 . 1 1 26 26 GLN N N 26 116.989 116.989 117.692 -0.703 25791 4500 1 12 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.837 -0.133 25791 4501 1 12 . 1 1 26 26 GLN C C 26 175.979 175.979 175.877 0.102 25791 4502 1 12 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.947 -0.159 25791 4503 1 12 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.299 -0.219 25791 4504 1 12 . 1 1 26 26 GLN H H 26 7.401 7.401 7.471 -0.070 25791 4505 1 12 . 1 1 27 27 TYR N N 27 114.712 114.712 117.689 -2.977 25791 4506 1 12 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.880 0.198 25791 4507 1 12 . 1 1 27 27 TYR C C 27 172.931 172.931 173.707 -0.776 25791 4508 1 12 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.495 0.672 25791 4509 1 12 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.274 1.386 25791 4510 1 12 . 1 1 27 27 TYR H H 27 7.675 7.675 7.981 -0.306 25791 4511 1 12 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.439 -0.077 25791 4512 1 12 . 1 1 28 28 PRO C C 28 179.333 179.333 177.872 1.461 25791 4513 1 12 . 1 1 28 28 PRO CA C 28 64.394 64.394 64.157 0.237 25791 4514 1 12 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.276 -1.022 25791 4515 1 12 . 1 1 29 29 GLY N N 29 110.091 110.091 112.647 -2.556 25791 4516 1 12 . 1 1 29 29 GLY C C 29 173.218 173.218 174.631 -1.413 25791 4517 1 12 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.238 0.674 25791 4518 1 12 . 1 1 29 29 GLY H H 29 8.826 8.826 8.716 0.110 25791 4519 1 12 . 1 1 30 30 ASN N N 30 118.603 118.603 121.957 -3.354 25791 4520 1 12 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.818 0.181 25791 4521 1 12 . 1 1 30 30 ASN C C 30 173.977 173.977 175.248 -1.271 25791 4522 1 12 . 1 1 30 30 ASN CA C 30 51.185 51.185 50.959 0.226 25791 4523 1 12 . 1 1 30 30 ASN CB C 30 38.426 38.426 37.551 0.875 25791 4524 1 12 . 1 1 30 30 ASN H H 30 7.293 7.293 7.771 -0.478 25791 4525 1 12 . 1 1 31 31 TYR N N 31 125.240 125.240 122.822 2.418 25791 4526 1 12 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.450 -0.552 25791 4527 1 12 . 1 1 31 31 TYR C C 31 177.343 177.343 176.916 0.427 25791 4528 1 12 . 1 1 31 31 TYR CA C 31 61.811 61.811 60.370 1.441 25791 4529 1 12 . 1 1 31 31 TYR CB C 31 38.357 38.357 37.532 0.825 25791 4530 1 12 . 1 1 31 31 TYR H H 31 8.509 8.509 8.047 0.462 25791 4531 1 12 . 1 1 32 32 GLU N N 32 118.993 118.993 119.339 -0.346 25791 4532 1 12 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.915 -0.015 25791 4533 1 12 . 1 1 32 32 GLU C C 32 179.549 179.549 178.806 0.743 25791 4534 1 12 . 1 1 32 32 GLU CA C 32 60.112 60.112 58.515 1.597 25791 4535 1 12 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.349 0.820 25791 4536 1 12 . 1 1 32 32 GLU H H 32 8.714 8.714 7.298 1.416 25791 4537 1 12 . 1 1 33 33 GLN N N 33 117.037 117.037 119.260 -2.223 25791 4538 1 12 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.798 -0.065 25791 4539 1 12 . 1 1 33 33 GLN C C 33 179.119 179.119 178.577 0.542 25791 4540 1 12 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.109 -0.407 25791 4541 1 12 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.845 -0.219 25791 4542 1 12 . 1 1 33 33 GLN H H 33 7.536 7.536 8.254 -0.718 25791 4543 1 12 . 1 1 34 34 GLN N N 34 117.723 117.723 119.403 -1.680 25791 4544 1 12 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.073 -0.262 25791 4545 1 12 . 1 1 34 34 GLN C C 34 177.634 177.634 178.642 -1.008 25791 4546 1 12 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.453 0.712 25791 4547 1 12 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.591 -1.090 25791 4548 1 12 . 1 1 34 34 GLN H H 34 7.968 7.968 8.278 -0.310 25791 4549 1 12 . 1 1 35 35 GLN N N 35 115.293 115.293 119.035 -3.742 25791 4550 1 12 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.124 -0.333 25791 4551 1 12 . 1 1 35 35 GLN C C 35 178.757 178.757 178.704 0.053 25791 4552 1 12 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.651 -0.041 25791 4553 1 12 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.509 -0.304 25791 4554 1 12 . 1 1 35 35 GLN H H 35 7.870 7.870 7.980 -0.110 25791 4555 1 12 . 1 1 36 36 ILE N N 36 120.769 120.769 120.568 0.201 25791 4556 1 12 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.667 -0.103 25791 4557 1 12 . 1 1 36 36 ILE C C 36 178.273 178.273 178.180 0.093 25791 4558 1 12 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.247 -0.011 25791 4559 1 12 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.660 0.713 25791 4560 1 12 . 1 1 36 36 ILE H H 36 7.503 7.503 8.209 -0.706 25791 4561 1 12 . 1 1 37 37 LEU N N 37 121.056 121.056 121.497 -0.441 25791 4562 1 12 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.067 0.242 25791 4563 1 12 . 1 1 37 37 LEU C C 37 178.348 178.348 178.207 0.141 25791 4564 1 12 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.936 -0.202 25791 4565 1 12 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.771 -0.255 25791 4566 1 12 . 1 1 37 37 LEU H H 37 7.678 7.678 7.903 -0.225 25791 4567 1 12 . 1 1 38 38 ILE N N 38 119.334 119.334 119.715 -0.381 25791 4568 1 12 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.502 -0.161 25791 4569 1 12 . 1 1 38 38 ILE C C 38 177.371 177.371 178.089 -0.718 25791 4570 1 12 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.733 1.352 25791 4571 1 12 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.577 0.772 25791 4572 1 12 . 1 1 38 38 ILE H H 38 8.702 8.702 8.337 0.365 25791 4573 1 12 . 1 1 39 39 ARG N N 39 117.798 117.798 119.531 -1.733 25791 4574 1 12 . 1 1 39 39 ARG HA H 39 4.215 4.215 3.957 0.258 25791 4575 1 12 . 1 1 39 39 ARG C C 39 179.555 179.555 178.895 0.660 25791 4576 1 12 . 1 1 39 39 ARG CA C 39 59.459 59.459 60.285 -0.826 25791 4577 1 12 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.863 -0.111 25791 4578 1 12 . 1 1 39 39 ARG H H 39 7.739 7.739 8.414 -0.675 25791 4579 1 12 . 1 1 40 40 GLN N N 40 119.432 119.432 119.003 0.429 25791 4580 1 12 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.057 0.080 25791 4581 1 12 . 1 1 40 40 GLN C C 40 179.522 179.522 178.543 0.979 25791 4582 1 12 . 1 1 40 40 GLN CA C 40 59.260 59.260 59.062 0.198 25791 4583 1 12 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.762 -0.404 25791 4584 1 12 . 1 1 40 40 GLN H H 40 7.811 7.811 7.718 0.093 25791 4585 1 12 . 1 1 41 41 LEU N N 41 121.592 121.592 120.627 0.965 25791 4586 1 12 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.723 -0.036 25791 4587 1 12 . 1 1 41 41 LEU C C 41 178.974 178.974 179.225 -0.251 25791 4588 1 12 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.736 0.227 25791 4589 1 12 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.818 -0.966 25791 4590 1 12 . 1 1 41 41 LEU H H 41 8.648 8.648 8.612 0.036 25791 4591 1 12 . 1 1 42 42 GLN N N 42 119.054 119.054 118.674 0.380 25791 4592 1 12 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.439 0.105 25791 4593 1 12 . 1 1 42 42 GLN C C 42 180.176 180.176 178.924 1.252 25791 4594 1 12 . 1 1 42 42 GLN CA C 42 59.234 59.234 58.839 0.395 25791 4595 1 12 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.372 -0.452 25791 4596 1 12 . 1 1 42 42 GLN H H 42 8.641 8.641 8.545 0.096 25791 4597 1 12 . 1 1 43 43 GLU N N 43 121.517 121.517 121.801 -0.284 25791 4598 1 12 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.095 0.141 25791 4599 1 12 . 1 1 43 43 GLU C C 43 179.721 179.721 179.085 0.636 25791 4600 1 12 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.782 -0.115 25791 4601 1 12 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.453 -0.195 25791 4602 1 12 . 1 1 43 43 GLU H H 43 8.111 8.111 8.173 -0.062 25791 4603 1 12 . 1 1 44 44 GLN N N 44 119.240 119.240 118.273 0.967 25791 4604 1 12 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.035 0.081 25791 4605 1 12 . 1 1 44 44 GLN C C 44 179.012 179.012 178.371 0.641 25791 4606 1 12 . 1 1 44 44 GLN CA C 44 59.149 59.149 59.182 -0.033 25791 4607 1 12 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.778 0.076 25791 4608 1 12 . 1 1 44 44 GLN H H 44 8.372 8.372 8.322 0.050 25791 4609 1 12 . 1 1 45 45 HIS N N 45 121.705 121.705 120.890 0.815 25791 4610 1 12 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.298 -0.018 25791 4611 1 12 . 1 1 45 45 HIS C C 45 176.395 176.395 177.282 -0.887 25791 4612 1 12 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.117 1.242 25791 4613 1 12 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.578 1.747 25791 4614 1 12 . 1 1 45 45 HIS H H 45 9.472 9.472 8.400 1.072 25791 4615 1 12 . 1 1 46 46 TYR N N 46 119.039 119.039 120.677 -1.638 25791 4616 1 12 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.032 -0.183 25791 4617 1 12 . 1 1 46 46 TYR C C 46 176.664 176.664 178.147 -1.483 25791 4618 1 12 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.907 0.344 25791 4619 1 12 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.437 -0.765 25791 4620 1 12 . 1 1 46 46 TYR H H 46 8.253 8.253 8.729 -0.476 25791 4621 1 12 . 1 1 47 47 GLN N N 47 116.407 116.407 117.511 -1.104 25791 4622 1 12 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.878 -0.094 25791 4623 1 12 . 1 1 47 47 GLN C C 47 179.048 179.048 178.622 0.426 25791 4624 1 12 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.239 -0.290 25791 4625 1 12 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.149 0.032 25791 4626 1 12 . 1 1 47 47 GLN H H 47 7.814 7.814 8.491 -0.677 25791 4627 1 12 . 1 1 48 48 GLN N N 48 119.803 119.803 120.052 -0.249 25791 4628 1 12 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.088 -0.111 25791 4629 1 12 . 1 1 48 48 GLN C C 48 177.741 177.741 178.185 -0.444 25791 4630 1 12 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.420 -0.106 25791 4631 1 12 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.418 -0.090 25791 4632 1 12 . 1 1 48 48 GLN H H 48 8.645 8.645 8.581 0.064 25791 4633 1 12 . 1 1 49 49 TYR N N 49 121.342 121.342 121.700 -0.358 25791 4634 1 12 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.149 -0.509 25791 4635 1 12 . 1 1 49 49 TYR C C 49 176.021 176.021 177.536 -1.515 25791 4636 1 12 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.616 0.493 25791 4637 1 12 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.272 0.635 25791 4638 1 12 . 1 1 49 49 TYR H H 49 9.105 9.105 8.743 0.362 25791 4639 1 12 . 1 1 50 50 MET N N 50 115.522 115.522 118.429 -2.907 25791 4640 1 12 . 1 1 50 50 MET HA H 50 4.040 4.040 3.648 0.392 25791 4641 1 12 . 1 1 50 50 MET C C 50 179.841 179.841 178.361 1.480 25791 4642 1 12 . 1 1 50 50 MET CA C 50 56.623 56.623 58.535 -1.911 25791 4643 1 12 . 1 1 50 50 MET CB C 50 30.099 30.099 32.176 -2.077 25791 4644 1 12 . 1 1 50 50 MET H H 50 8.060 8.060 8.305 -0.245 25791 4645 1 12 . 1 1 51 51 GLN N N 51 118.942 118.942 118.268 0.674 25791 4646 1 12 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.892 0.173 25791 4647 1 12 . 1 1 51 51 GLN C C 51 178.707 178.707 178.545 0.162 25791 4648 1 12 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.477 -0.536 25791 4649 1 12 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.455 0.034 25791 4650 1 12 . 1 1 51 51 GLN H H 51 7.830 7.830 7.940 -0.110 25791 4651 1 12 . 1 1 52 52 GLN N N 52 119.210 119.210 119.644 -0.434 25791 4652 1 12 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.116 -0.059 25791 4653 1 12 . 1 1 52 52 GLN C C 52 178.738 178.738 178.482 0.256 25791 4654 1 12 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.164 0.585 25791 4655 1 12 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.377 0.026 25791 4656 1 12 . 1 1 52 52 GLN H H 52 8.187 8.187 8.180 0.007 25791 4657 1 12 . 1 1 53 53 LEU N N 53 121.233 121.233 121.335 -0.102 25791 4658 1 12 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.865 -0.024 25791 4659 1 12 . 1 1 53 53 LEU C C 53 179.191 179.191 177.923 1.268 25791 4660 1 12 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.718 0.027 25791 4661 1 12 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.218 0.648 25791 4662 1 12 . 1 1 53 53 LEU H H 53 8.441 8.441 8.153 0.288 25791 4663 1 12 . 1 1 54 54 TYR N N 54 118.505 118.505 119.343 -0.838 25791 4664 1 12 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.880 0.438 25791 4665 1 12 . 1 1 54 54 TYR C C 54 177.535 177.535 177.564 -0.029 25791 4666 1 12 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.145 -1.667 25791 4667 1 12 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.278 -0.492 25791 4668 1 12 . 1 1 54 54 TYR H H 54 7.819 7.819 8.003 -0.184 25791 4669 1 12 . 1 1 55 55 GLN N N 55 117.299 117.299 117.972 -0.673 25791 4670 1 12 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.013 -0.114 25791 4671 1 12 . 1 1 55 55 GLN C C 55 179.041 179.041 178.428 0.613 25791 4672 1 12 . 1 1 55 55 GLN CA C 55 58.709 58.709 59.128 -0.419 25791 4673 1 12 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.652 -0.437 25791 4674 1 12 . 1 1 55 55 GLN H H 55 7.735 7.735 7.755 -0.020 25791 4675 1 12 . 1 1 56 56 VAL N N 56 120.879 120.879 120.040 0.839 25791 4676 1 12 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.625 0.167 25791 4677 1 12 . 1 1 56 56 VAL C C 56 178.262 178.262 177.797 0.465 25791 4678 1 12 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.514 -0.572 25791 4679 1 12 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.543 0.337 25791 4680 1 12 . 1 1 56 56 VAL H H 56 8.014 8.014 7.677 0.337 25791 4681 1 12 . 1 1 57 57 GLN N N 57 120.513 120.513 120.172 0.341 25791 4682 1 12 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.982 0.078 25791 4683 1 12 . 1 1 57 57 GLN C C 57 178.772 178.772 178.318 0.454 25791 4684 1 12 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.232 0.384 25791 4685 1 12 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.729 0.256 25791 4686 1 12 . 1 1 57 57 GLN H H 57 8.103 8.103 8.271 -0.168 25791 4687 1 12 . 1 1 58 58 LEU N N 58 121.244 121.244 121.594 -0.350 25791 4688 1 12 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.907 0.098 25791 4689 1 12 . 1 1 58 58 LEU C C 58 179.134 179.134 177.710 1.424 25791 4690 1 12 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.170 0.336 25791 4691 1 12 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.391 0.412 25791 4692 1 12 . 1 1 58 58 LEU H H 58 8.176 8.176 7.982 0.194 25791 4693 1 12 . 1 1 59 59 ALA N N 59 121.608 121.608 121.390 0.218 25791 4694 1 12 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.932 0.233 25791 4695 1 12 . 1 1 59 59 ALA C C 59 180.497 180.497 179.895 0.602 25791 4696 1 12 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.300 -0.718 25791 4697 1 12 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.072 -0.019 25791 4698 1 12 . 1 1 59 59 ALA H H 59 7.833 7.833 7.940 -0.107 25791 4699 1 12 . 1 1 60 60 GLN N N 60 118.335 118.335 117.566 0.769 25791 4700 1 12 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.953 0.195 25791 4701 1 12 . 1 1 60 60 GLN C C 60 178.334 178.334 178.469 -0.135 25791 4702 1 12 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.598 -0.621 25791 4703 1 12 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.213 0.222 25791 4704 1 12 . 1 1 60 60 GLN H H 60 8.081 8.081 7.980 0.101 25791 4705 1 12 . 1 1 61 61 GLN N N 61 120.206 120.206 119.999 0.207 25791 4706 1 12 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.934 0.228 25791 4707 1 12 . 1 1 61 61 GLN C C 61 178.002 178.002 178.482 -0.480 25791 4708 1 12 . 1 1 61 61 GLN CA C 61 57.905 57.905 59.026 -1.121 25791 4709 1 12 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.538 0.041 25791 4710 1 12 . 1 1 61 61 GLN H H 61 8.111 8.111 8.133 -0.022 25791 4711 1 12 . 1 1 62 62 GLN N N 62 118.980 118.980 118.201 0.779 25791 4712 1 12 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.051 0.078 25791 4713 1 12 . 1 1 62 62 GLN C C 62 177.624 177.624 178.335 -0.711 25791 4714 1 12 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.418 -0.782 25791 4715 1 12 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.357 0.279 25791 4716 1 12 . 1 1 62 62 GLN H H 62 8.203 8.203 8.538 -0.335 25791 4717 1 12 . 1 1 63 63 ALA N N 63 122.712 122.712 121.828 0.884 25791 4718 1 12 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.130 0.076 25791 4719 1 12 . 1 1 63 63 ALA C C 63 178.922 178.922 178.981 -0.059 25791 4720 1 12 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.399 -0.503 25791 4721 1 12 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.208 0.251 25791 4722 1 12 . 1 1 63 63 ALA H H 63 8.004 8.004 7.896 0.108 25791 4723 1 12 . 1 1 64 64 ALA N N 64 120.813 120.813 121.169 -0.356 25791 4724 1 12 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.213 0.019 25791 4725 1 12 . 1 1 64 64 ALA C C 64 178.732 178.732 179.178 -0.446 25791 4726 1 12 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.208 -0.692 25791 4727 1 12 . 1 1 64 64 ALA CB C 64 18.630 18.630 18.872 -0.242 25791 4728 1 12 . 1 1 64 64 ALA H H 64 7.837 7.837 7.663 0.174 25791 4729 1 12 . 1 1 65 65 LEU N N 65 119.196 119.196 119.102 0.094 25791 4730 1 12 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.235 0.022 25791 4731 1 12 . 1 1 65 65 LEU C C 65 178.038 178.038 177.605 0.433 25791 4732 1 12 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.639 -0.817 25791 4733 1 12 . 1 1 65 65 LEU CB C 65 42.264 42.264 41.901 0.363 25791 4734 1 12 . 1 1 65 65 LEU H H 65 7.765 7.765 8.034 -0.269 25791 4735 1 12 . 1 1 66 66 GLN N N 66 119.365 119.365 114.923 4.442 25791 4736 1 12 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.972 0.303 25791 4737 1 12 . 1 1 66 66 GLN C C 66 176.120 176.120 175.750 0.370 25791 4738 1 12 . 1 1 66 66 GLN CA C 66 56.067 56.067 57.158 -1.091 25791 4739 1 12 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.388 2.744 25791 4740 1 12 . 1 1 66 66 GLN H H 66 7.967 7.967 8.365 -0.398 25791 4741 1 12 . 1 1 67 67 LYS N N 67 121.521 121.521 117.927 3.594 25791 4742 1 12 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.388 -0.079 25791 4743 1 12 . 1 1 67 67 LYS C C 67 176.437 176.437 176.224 0.213 25791 4744 1 12 . 1 1 67 67 LYS CA C 67 56.389 56.389 54.649 1.740 25791 4745 1 12 . 1 1 67 67 LYS CB C 67 33.041 33.041 32.785 0.256 25791 4746 1 12 . 1 1 67 67 LYS H H 67 8.053 8.053 8.175 -0.122 25791 4747 1 12 . 1 1 68 68 GLN N N 68 121.970 121.970 117.987 3.983 25791 4748 1 12 . 1 1 68 68 GLN HA H 68 4.339 4.339 3.980 0.359 25791 4749 1 12 . 1 1 68 68 GLN C C 68 175.120 175.120 175.657 -0.537 25791 4750 1 12 . 1 1 68 68 GLN CA C 68 56.000 56.000 56.523 -0.523 25791 4751 1 12 . 1 1 68 68 GLN CB C 68 29.498 29.498 27.281 2.217 25791 4752 1 12 . 1 1 68 68 GLN H H 68 8.314 8.314 8.289 0.025 25791 4753 1 13 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.722 -0.275 25791 4754 1 13 . 1 1 2 2 GLN C C 2 176.144 176.144 176.375 -0.231 25791 4755 1 13 . 1 1 2 2 GLN CA C 2 56.209 56.209 55.224 0.985 25791 4756 1 13 . 1 1 2 2 GLN CB C 2 29.459 29.459 32.138 -2.679 25791 4757 1 13 . 1 1 3 3 GLN N N 3 122.052 122.052 125.861 -3.809 25791 4758 1 13 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.245 0.078 25791 4759 1 13 . 1 1 3 3 GLN C C 3 176.988 176.988 177.828 -0.840 25791 4760 1 13 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.537 -1.134 25791 4761 1 13 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.895 0.344 25791 4762 1 13 . 1 1 3 3 GLN H H 3 8.780 8.780 8.795 -0.015 25791 4763 1 13 . 1 1 4 4 LYS N N 4 121.855 121.855 120.698 1.157 25791 4764 1 13 . 1 1 4 4 LYS HA H 4 4.004 4.004 3.961 0.043 25791 4765 1 13 . 1 1 4 4 LYS C C 4 177.638 177.638 178.499 -0.861 25791 4766 1 13 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.644 0.595 25791 4767 1 13 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.147 0.552 25791 4768 1 13 . 1 1 4 4 LYS H H 4 8.528 8.528 8.563 -0.035 25791 4769 1 13 . 1 1 5 5 GLN N N 5 116.397 116.397 117.916 -1.519 25791 4770 1 13 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.872 0.069 25791 4771 1 13 . 1 1 5 5 GLN C C 5 178.761 178.761 178.367 0.394 25791 4772 1 13 . 1 1 5 5 GLN CA C 5 59.349 59.349 59.126 0.223 25791 4773 1 13 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.449 -0.499 25791 4774 1 13 . 1 1 5 5 GLN H H 5 8.223 8.223 7.991 0.232 25791 4775 1 13 . 1 1 6 6 GLN N N 6 119.262 119.262 118.831 0.431 25791 4776 1 13 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.111 0.017 25791 4777 1 13 . 1 1 6 6 GLN C C 6 179.018 179.018 178.280 0.738 25791 4778 1 13 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.615 0.474 25791 4779 1 13 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.129 0.581 25791 4780 1 13 . 1 1 6 6 GLN H H 6 7.848 7.848 7.716 0.132 25791 4781 1 13 . 1 1 7 7 ILE N N 7 121.296 121.296 121.834 -0.538 25791 4782 1 13 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.812 -0.229 25791 4783 1 13 . 1 1 7 7 ILE C C 7 177.833 177.833 178.162 -0.329 25791 4784 1 13 . 1 1 7 7 ILE CA C 7 65.129 65.129 63.117 2.012 25791 4785 1 13 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.022 1.184 25791 4786 1 13 . 1 1 7 7 ILE H H 7 8.095 8.095 7.318 0.777 25791 4787 1 13 . 1 1 8 8 MET N N 8 117.603 117.603 119.071 -1.468 25791 4788 1 13 . 1 1 8 8 MET HA H 8 3.985 3.985 3.990 -0.005 25791 4789 1 13 . 1 1 8 8 MET C C 8 177.355 177.355 178.794 -1.439 25791 4790 1 13 . 1 1 8 8 MET CA C 8 59.932 59.932 59.708 0.224 25791 4791 1 13 . 1 1 8 8 MET CB C 8 32.721 32.721 32.006 0.715 25791 4792 1 13 . 1 1 8 8 MET H H 8 8.672 8.672 8.499 0.173 25791 4793 1 13 . 1 1 9 9 ALA N N 9 118.774 118.774 121.604 -2.830 25791 4794 1 13 . 1 1 9 9 ALA HA H 9 4.046 4.046 3.986 0.060 25791 4795 1 13 . 1 1 9 9 ALA C C 9 180.546 180.546 179.158 1.388 25791 4796 1 13 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.097 0.288 25791 4797 1 13 . 1 1 9 9 ALA CB C 9 17.898 17.898 18.032 -0.134 25791 4798 1 13 . 1 1 9 9 ALA H H 9 7.795 7.795 8.243 -0.448 25791 4799 1 13 . 1 1 10 10 ALA N N 10 120.854 120.854 121.453 -0.599 25791 4800 1 13 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.080 0.125 25791 4801 1 13 . 1 1 10 10 ALA C C 10 181.200 181.200 179.607 1.593 25791 4802 1 13 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.857 0.155 25791 4803 1 13 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.269 0.992 25791 4804 1 13 . 1 1 10 10 ALA H H 10 7.438 7.438 7.685 -0.247 25791 4805 1 13 . 1 1 11 11 LEU N N 11 120.775 120.775 118.606 2.169 25791 4806 1 13 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.728 0.020 25791 4807 1 13 . 1 1 11 11 LEU C C 11 179.041 179.041 179.152 -0.111 25791 4808 1 13 . 1 1 11 11 LEU CA C 11 58.346 58.346 58.049 0.297 25791 4809 1 13 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.211 -1.234 25791 4810 1 13 . 1 1 11 11 LEU H H 11 8.757 8.757 8.613 0.144 25791 4811 1 13 . 1 1 12 12 ASN N N 12 116.313 116.313 117.617 -1.304 25791 4812 1 13 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.530 0.034 25791 4813 1 13 . 1 1 12 12 ASN C C 12 178.900 178.900 176.884 2.016 25791 4814 1 13 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.984 -1.919 25791 4815 1 13 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.671 -1.678 25791 4816 1 13 . 1 1 12 12 ASN H H 12 8.850 8.850 8.522 0.328 25791 4817 1 13 . 1 1 13 13 SER N N 13 114.747 114.747 115.728 -0.981 25791 4818 1 13 . 1 1 13 13 SER HA H 13 4.370 4.370 4.158 0.212 25791 4819 1 13 . 1 1 13 13 SER C C 13 176.515 176.515 177.055 -0.540 25791 4820 1 13 . 1 1 13 13 SER CA C 13 61.141 61.141 61.237 -0.096 25791 4821 1 13 . 1 1 13 13 SER CB C 13 63.044 63.044 63.304 -0.260 25791 4822 1 13 . 1 1 13 13 SER H H 13 7.672 7.672 7.874 -0.202 25791 4823 1 13 . 1 1 14 14 GLN N N 14 119.954 119.954 117.569 2.385 25791 4824 1 13 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.188 0.030 25791 4825 1 13 . 1 1 14 14 GLN C C 14 178.208 178.208 176.633 1.575 25791 4826 1 13 . 1 1 14 14 GLN CA C 14 57.749 57.749 57.972 -0.223 25791 4827 1 13 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.677 0.024 25791 4828 1 13 . 1 1 14 14 GLN H H 14 7.573 7.573 7.863 -0.290 25791 4829 1 13 . 1 1 15 15 THR N N 15 107.493 107.493 107.599 -0.106 25791 4830 1 13 . 1 1 15 15 THR HA H 15 3.899 3.899 4.246 -0.347 25791 4831 1 13 . 1 1 15 15 THR C C 15 174.683 174.683 173.994 0.689 25791 4832 1 13 . 1 1 15 15 THR CA C 15 61.551 61.551 59.929 1.622 25791 4833 1 13 . 1 1 15 15 THR CB C 15 69.226 69.226 69.051 0.175 25791 4834 1 13 . 1 1 15 15 THR H H 15 7.741 7.741 7.110 0.631 25791 4835 1 13 . 1 1 16 16 ALA N N 16 124.034 124.034 125.907 -1.873 25791 4836 1 13 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.021 0.114 25791 4837 1 13 . 1 1 16 16 ALA C C 16 179.899 179.899 178.769 1.130 25791 4838 1 13 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.796 0.411 25791 4839 1 13 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.178 0.546 25791 4840 1 13 . 1 1 16 16 ALA H H 16 6.873 6.873 7.253 -0.380 25791 4841 1 13 . 1 1 17 17 VAL N N 17 117.150 117.150 117.883 -0.733 25791 4842 1 13 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.712 0.002 25791 4843 1 13 . 1 1 17 17 VAL C C 17 178.537 178.537 177.250 1.287 25791 4844 1 13 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.245 1.263 25791 4845 1 13 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.763 -0.070 25791 4846 1 13 . 1 1 17 17 VAL H H 17 8.162 8.162 8.406 -0.244 25791 4847 1 13 . 1 1 18 18 GLN N N 18 119.489 119.489 119.205 0.284 25791 4848 1 13 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.240 -0.183 25791 4849 1 13 . 1 1 18 18 GLN C C 18 180.429 180.429 178.800 1.629 25791 4850 1 13 . 1 1 18 18 GLN CA C 18 59.699 59.699 58.908 0.791 25791 4851 1 13 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.545 0.641 25791 4852 1 13 . 1 1 18 18 GLN H H 18 8.451 8.451 7.992 0.459 25791 4853 1 13 . 1 1 19 19 PHE N N 19 117.940 117.940 118.749 -0.809 25791 4854 1 13 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.447 0.383 25791 4855 1 13 . 1 1 19 19 PHE C C 19 177.858 177.858 178.268 -0.410 25791 4856 1 13 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.592 -1.563 25791 4857 1 13 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.160 -2.255 25791 4858 1 13 . 1 1 19 19 PHE H H 19 8.924 8.924 8.696 0.228 25791 4859 1 13 . 1 1 20 20 GLN N N 20 120.297 120.297 119.552 0.745 25791 4860 1 13 . 1 1 20 20 GLN HA H 20 4.106 4.106 4.026 0.080 25791 4861 1 13 . 1 1 20 20 GLN C C 20 178.986 178.986 178.642 0.344 25791 4862 1 13 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.526 0.037 25791 4863 1 13 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.564 -0.669 25791 4864 1 13 . 1 1 20 20 GLN H H 20 8.264 8.264 8.113 0.151 25791 4865 1 13 . 1 1 21 21 GLN N N 21 118.595 118.595 119.502 -0.907 25791 4866 1 13 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.055 0.027 25791 4867 1 13 . 1 1 21 21 GLN C C 21 178.806 178.806 178.602 0.204 25791 4868 1 13 . 1 1 21 21 GLN CA C 21 59.170 59.170 59.106 0.064 25791 4869 1 13 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.827 -0.631 25791 4870 1 13 . 1 1 21 21 GLN H H 21 8.527 8.527 8.522 0.005 25791 4871 1 13 . 1 1 22 22 TYR N N 22 119.594 119.594 121.480 -1.886 25791 4872 1 13 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.346 -0.099 25791 4873 1 13 . 1 1 22 22 TYR C C 22 177.789 177.789 177.301 0.488 25791 4874 1 13 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.324 1.388 25791 4875 1 13 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.526 0.198 25791 4876 1 13 . 1 1 22 22 TYR H H 22 7.843 7.843 7.989 -0.146 25791 4877 1 13 . 1 1 23 23 ALA N N 23 120.663 120.663 121.675 -1.012 25791 4878 1 13 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.804 0.053 25791 4879 1 13 . 1 1 23 23 ALA C C 23 179.319 179.319 178.727 0.592 25791 4880 1 13 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.989 0.600 25791 4881 1 13 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.132 0.350 25791 4882 1 13 . 1 1 23 23 ALA H H 23 8.612 8.612 8.678 -0.066 25791 4883 1 13 . 1 1 24 24 ALA N N 24 119.002 119.002 120.827 -1.825 25791 4884 1 13 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.069 -0.131 25791 4885 1 13 . 1 1 24 24 ALA C C 24 178.987 178.987 178.795 0.192 25791 4886 1 13 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.248 0.069 25791 4887 1 13 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.387 -0.495 25791 4888 1 13 . 1 1 24 24 ALA H H 24 8.168 8.168 8.009 0.159 25791 4889 1 13 . 1 1 25 25 GLN N N 25 115.599 115.599 116.773 -1.174 25791 4890 1 13 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.009 -0.005 25791 4891 1 13 . 1 1 25 25 GLN C C 25 177.818 177.818 178.255 -0.437 25791 4892 1 13 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.148 -0.694 25791 4893 1 13 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.937 -0.482 25791 4894 1 13 . 1 1 25 25 GLN H H 25 7.300 7.300 7.606 -0.306 25791 4895 1 13 . 1 1 26 26 GLN N N 26 116.989 116.989 116.494 0.495 25791 4896 1 13 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.793 -0.089 25791 4897 1 13 . 1 1 26 26 GLN C C 26 175.979 175.979 176.004 -0.025 25791 4898 1 13 . 1 1 26 26 GLN CA C 26 56.788 56.788 57.063 -0.275 25791 4899 1 13 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.585 -0.505 25791 4900 1 13 . 1 1 26 26 GLN H H 26 7.401 7.401 7.423 -0.022 25791 4901 1 13 . 1 1 27 27 TYR N N 27 114.712 114.712 117.651 -2.939 25791 4902 1 13 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.888 0.190 25791 4903 1 13 . 1 1 27 27 TYR C C 27 172.931 172.931 173.678 -0.747 25791 4904 1 13 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.603 0.564 25791 4905 1 13 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.228 1.431 25791 4906 1 13 . 1 1 27 27 TYR H H 27 7.675 7.675 8.026 -0.351 25791 4907 1 13 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.317 0.045 25791 4908 1 13 . 1 1 28 28 PRO C C 28 179.333 179.333 177.912 1.421 25791 4909 1 13 . 1 1 28 28 PRO CA C 28 64.394 64.394 64.156 0.238 25791 4910 1 13 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.376 -1.122 25791 4911 1 13 . 1 1 29 29 GLY N N 29 110.091 110.091 112.752 -2.661 25791 4912 1 13 . 1 1 29 29 GLY C C 29 173.218 173.218 174.820 -1.602 25791 4913 1 13 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.325 0.587 25791 4914 1 13 . 1 1 29 29 GLY H H 29 8.826 8.826 8.748 0.078 25791 4915 1 13 . 1 1 30 30 ASN N N 30 118.603 118.603 122.429 -3.826 25791 4916 1 13 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.986 0.013 25791 4917 1 13 . 1 1 30 30 ASN C C 30 173.977 173.977 174.999 -1.022 25791 4918 1 13 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.433 -0.248 25791 4919 1 13 . 1 1 30 30 ASN CB C 30 38.426 38.426 37.559 0.867 25791 4920 1 13 . 1 1 30 30 ASN H H 30 7.293 7.293 7.756 -0.463 25791 4921 1 13 . 1 1 31 31 TYR N N 31 125.240 125.240 126.704 -1.464 25791 4922 1 13 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.073 -0.175 25791 4923 1 13 . 1 1 31 31 TYR C C 31 177.343 177.343 176.874 0.469 25791 4924 1 13 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.660 -0.849 25791 4925 1 13 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.781 -0.424 25791 4926 1 13 . 1 1 31 31 TYR H H 31 8.509 8.509 7.918 0.591 25791 4927 1 13 . 1 1 32 32 GLU N N 32 118.993 118.993 118.144 0.849 25791 4928 1 13 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.851 0.049 25791 4929 1 13 . 1 1 32 32 GLU C C 32 179.549 179.549 178.762 0.787 25791 4930 1 13 . 1 1 32 32 GLU CA C 32 60.112 60.112 60.095 0.017 25791 4931 1 13 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.898 0.270 25791 4932 1 13 . 1 1 32 32 GLU H H 32 8.714 8.714 8.761 -0.047 25791 4933 1 13 . 1 1 33 33 GLN N N 33 117.037 117.037 118.049 -1.012 25791 4934 1 13 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.858 -0.125 25791 4935 1 13 . 1 1 33 33 GLN C C 33 179.119 179.119 178.515 0.604 25791 4936 1 13 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.506 -0.804 25791 4937 1 13 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.776 -0.150 25791 4938 1 13 . 1 1 33 33 GLN H H 33 7.536 7.536 8.321 -0.785 25791 4939 1 13 . 1 1 34 34 GLN N N 34 117.723 117.723 119.696 -1.973 25791 4940 1 13 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.003 -0.192 25791 4941 1 13 . 1 1 34 34 GLN C C 34 177.634 177.634 178.568 -0.934 25791 4942 1 13 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.437 0.728 25791 4943 1 13 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.511 -1.010 25791 4944 1 13 . 1 1 34 34 GLN H H 34 7.968 7.968 8.322 -0.354 25791 4945 1 13 . 1 1 35 35 GLN N N 35 115.293 115.293 118.664 -3.371 25791 4946 1 13 . 1 1 35 35 GLN HA H 35 3.791 3.791 3.964 -0.173 25791 4947 1 13 . 1 1 35 35 GLN C C 35 178.757 178.757 178.607 0.150 25791 4948 1 13 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.301 0.309 25791 4949 1 13 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.187 0.018 25791 4950 1 13 . 1 1 35 35 GLN H H 35 7.870 7.870 7.793 0.077 25791 4951 1 13 . 1 1 36 36 ILE N N 36 120.769 120.769 120.705 0.064 25791 4952 1 13 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.622 -0.058 25791 4953 1 13 . 1 1 36 36 ILE C C 36 178.273 178.273 178.136 0.137 25791 4954 1 13 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.242 -0.006 25791 4955 1 13 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.667 0.706 25791 4956 1 13 . 1 1 36 36 ILE H H 36 7.503 7.503 8.108 -0.605 25791 4957 1 13 . 1 1 37 37 LEU N N 37 121.056 121.056 121.342 -0.286 25791 4958 1 13 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.008 0.301 25791 4959 1 13 . 1 1 37 37 LEU C C 37 178.348 178.348 178.197 0.151 25791 4960 1 13 . 1 1 37 37 LEU CA C 37 57.734 57.734 58.040 -0.306 25791 4961 1 13 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.862 -0.346 25791 4962 1 13 . 1 1 37 37 LEU H H 37 7.678 7.678 8.009 -0.331 25791 4963 1 13 . 1 1 38 38 ILE N N 38 119.334 119.334 119.692 -0.358 25791 4964 1 13 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.428 -0.087 25791 4965 1 13 . 1 1 38 38 ILE C C 38 177.371 177.371 177.915 -0.544 25791 4966 1 13 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.692 1.393 25791 4967 1 13 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.529 0.820 25791 4968 1 13 . 1 1 38 38 ILE H H 38 8.702 8.702 8.263 0.439 25791 4969 1 13 . 1 1 39 39 ARG N N 39 117.798 117.798 119.705 -1.907 25791 4970 1 13 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.211 0.004 25791 4971 1 13 . 1 1 39 39 ARG C C 39 179.555 179.555 179.244 0.311 25791 4972 1 13 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.840 -0.381 25791 4973 1 13 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.961 -0.209 25791 4974 1 13 . 1 1 39 39 ARG H H 39 7.739 7.739 8.381 -0.642 25791 4975 1 13 . 1 1 40 40 GLN N N 40 119.432 119.432 118.789 0.643 25791 4976 1 13 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.011 0.126 25791 4977 1 13 . 1 1 40 40 GLN C C 40 179.522 179.522 178.478 1.044 25791 4978 1 13 . 1 1 40 40 GLN CA C 40 59.260 59.260 59.087 0.173 25791 4979 1 13 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.663 -0.305 25791 4980 1 13 . 1 1 40 40 GLN H H 40 7.811 7.811 7.562 0.249 25791 4981 1 13 . 1 1 41 41 LEU N N 41 121.592 121.592 120.111 1.481 25791 4982 1 13 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.652 0.035 25791 4983 1 13 . 1 1 41 41 LEU C C 41 178.974 178.974 178.908 0.066 25791 4984 1 13 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.591 0.372 25791 4985 1 13 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.771 -0.919 25791 4986 1 13 . 1 1 41 41 LEU H H 41 8.648 8.648 8.209 0.439 25791 4987 1 13 . 1 1 42 42 GLN N N 42 119.054 119.054 118.469 0.585 25791 4988 1 13 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.251 0.293 25791 4989 1 13 . 1 1 42 42 GLN C C 42 180.176 180.176 178.772 1.404 25791 4990 1 13 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.507 -0.273 25791 4991 1 13 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.763 -0.843 25791 4992 1 13 . 1 1 42 42 GLN H H 42 8.641 8.641 8.518 0.123 25791 4993 1 13 . 1 1 43 43 GLU N N 43 121.517 121.517 120.862 0.655 25791 4994 1 13 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.064 0.172 25791 4995 1 13 . 1 1 43 43 GLU C C 43 179.721 179.721 178.936 0.785 25791 4996 1 13 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.552 0.115 25791 4997 1 13 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.505 -0.247 25791 4998 1 13 . 1 1 43 43 GLU H H 43 8.111 8.111 7.972 0.139 25791 4999 1 13 . 1 1 44 44 GLN N N 44 119.240 119.240 118.477 0.763 25791 5000 1 13 . 1 1 44 44 GLN HA H 44 4.116 4.116 3.987 0.129 25791 5001 1 13 . 1 1 44 44 GLN C C 44 179.012 179.012 178.375 0.637 25791 5002 1 13 . 1 1 44 44 GLN CA C 44 59.149 59.149 59.211 -0.062 25791 5003 1 13 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.702 0.152 25791 5004 1 13 . 1 1 44 44 GLN H H 44 8.372 8.372 8.151 0.221 25791 5005 1 13 . 1 1 45 45 HIS N N 45 121.705 121.705 120.408 1.297 25791 5006 1 13 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.282 -0.002 25791 5007 1 13 . 1 1 45 45 HIS C C 45 176.395 176.395 177.337 -0.942 25791 5008 1 13 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.056 1.303 25791 5009 1 13 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.546 1.779 25791 5010 1 13 . 1 1 45 45 HIS H H 45 9.472 9.472 8.362 1.110 25791 5011 1 13 . 1 1 46 46 TYR N N 46 119.039 119.039 120.700 -1.661 25791 5012 1 13 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.054 -0.205 25791 5013 1 13 . 1 1 46 46 TYR C C 46 176.664 176.664 178.030 -1.366 25791 5014 1 13 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.798 0.453 25791 5015 1 13 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.464 -0.792 25791 5016 1 13 . 1 1 46 46 TYR H H 46 8.253 8.253 8.211 0.042 25791 5017 1 13 . 1 1 47 47 GLN N N 47 116.407 116.407 117.356 -0.949 25791 5018 1 13 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.832 -0.048 25791 5019 1 13 . 1 1 47 47 GLN C C 47 179.048 179.048 178.612 0.436 25791 5020 1 13 . 1 1 47 47 GLN CA C 47 58.949 58.949 58.965 -0.016 25791 5021 1 13 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.065 0.116 25791 5022 1 13 . 1 1 47 47 GLN H H 47 7.814 7.814 8.533 -0.719 25791 5023 1 13 . 1 1 48 48 GLN N N 48 119.803 119.803 120.205 -0.402 25791 5024 1 13 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.075 -0.098 25791 5025 1 13 . 1 1 48 48 GLN C C 48 177.741 177.741 178.201 -0.460 25791 5026 1 13 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.432 -0.118 25791 5027 1 13 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.333 -0.005 25791 5028 1 13 . 1 1 48 48 GLN H H 48 8.645 8.645 8.467 0.178 25791 5029 1 13 . 1 1 49 49 TYR N N 49 121.342 121.342 121.870 -0.528 25791 5030 1 13 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.206 -0.566 25791 5031 1 13 . 1 1 49 49 TYR C C 49 176.021 176.021 177.622 -1.601 25791 5032 1 13 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.301 0.808 25791 5033 1 13 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.151 0.756 25791 5034 1 13 . 1 1 49 49 TYR H H 49 9.105 9.105 8.619 0.486 25791 5035 1 13 . 1 1 50 50 MET N N 50 115.522 115.522 118.297 -2.775 25791 5036 1 13 . 1 1 50 50 MET HA H 50 4.040 4.040 3.642 0.398 25791 5037 1 13 . 1 1 50 50 MET C C 50 179.841 179.841 178.329 1.512 25791 5038 1 13 . 1 1 50 50 MET CA C 50 56.623 56.623 58.664 -2.041 25791 5039 1 13 . 1 1 50 50 MET CB C 50 30.099 30.099 32.219 -2.120 25791 5040 1 13 . 1 1 50 50 MET H H 50 8.060 8.060 8.296 -0.236 25791 5041 1 13 . 1 1 51 51 GLN N N 51 118.942 118.942 117.622 1.320 25791 5042 1 13 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.920 0.145 25791 5043 1 13 . 1 1 51 51 GLN C C 51 178.707 178.707 178.637 0.070 25791 5044 1 13 . 1 1 51 51 GLN CA C 51 58.941 58.941 58.747 0.194 25791 5045 1 13 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.058 0.431 25791 5046 1 13 . 1 1 51 51 GLN H H 51 7.830 7.830 7.913 -0.083 25791 5047 1 13 . 1 1 52 52 GLN N N 52 119.210 119.210 119.748 -0.538 25791 5048 1 13 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.074 -0.017 25791 5049 1 13 . 1 1 52 52 GLN C C 52 178.738 178.738 178.506 0.232 25791 5050 1 13 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.726 0.023 25791 5051 1 13 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.844 -0.441 25791 5052 1 13 . 1 1 52 52 GLN H H 52 8.187 8.187 8.103 0.084 25791 5053 1 13 . 1 1 53 53 LEU N N 53 121.233 121.233 121.012 0.221 25791 5054 1 13 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.844 -0.003 25791 5055 1 13 . 1 1 53 53 LEU C C 53 179.191 179.191 177.993 1.198 25791 5056 1 13 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.638 0.107 25791 5057 1 13 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.217 0.650 25791 5058 1 13 . 1 1 53 53 LEU H H 53 8.441 8.441 8.151 0.290 25791 5059 1 13 . 1 1 54 54 TYR N N 54 118.505 118.505 119.080 -0.575 25791 5060 1 13 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.915 0.403 25791 5061 1 13 . 1 1 54 54 TYR C C 54 177.535 177.535 177.604 -0.069 25791 5062 1 13 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.395 -1.918 25791 5063 1 13 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.220 -0.434 25791 5064 1 13 . 1 1 54 54 TYR H H 54 7.819 7.819 8.068 -0.249 25791 5065 1 13 . 1 1 55 55 GLN N N 55 117.299 117.299 117.680 -0.381 25791 5066 1 13 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.075 -0.176 25791 5067 1 13 . 1 1 55 55 GLN C C 55 179.041 179.041 178.353 0.688 25791 5068 1 13 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.921 -0.212 25791 5069 1 13 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.570 -0.355 25791 5070 1 13 . 1 1 55 55 GLN H H 55 7.735 7.735 7.753 -0.018 25791 5071 1 13 . 1 1 56 56 VAL N N 56 120.879 120.879 120.449 0.430 25791 5072 1 13 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.561 0.231 25791 5073 1 13 . 1 1 56 56 VAL C C 56 178.262 178.262 177.756 0.506 25791 5074 1 13 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.524 -0.582 25791 5075 1 13 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.700 0.179 25791 5076 1 13 . 1 1 56 56 VAL H H 56 8.014 8.014 7.610 0.404 25791 5077 1 13 . 1 1 57 57 GLN N N 57 120.513 120.513 119.255 1.258 25791 5078 1 13 . 1 1 57 57 GLN HA H 57 4.060 4.060 4.237 -0.177 25791 5079 1 13 . 1 1 57 57 GLN C C 57 178.772 178.772 178.320 0.452 25791 5080 1 13 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.160 0.456 25791 5081 1 13 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.890 0.095 25791 5082 1 13 . 1 1 57 57 GLN H H 57 8.103 8.103 8.332 -0.229 25791 5083 1 13 . 1 1 58 58 LEU N N 58 121.244 121.244 121.457 -0.213 25791 5084 1 13 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.970 0.035 25791 5085 1 13 . 1 1 58 58 LEU C C 58 179.134 179.134 178.165 0.969 25791 5086 1 13 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.288 0.218 25791 5087 1 13 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.276 0.527 25791 5088 1 13 . 1 1 58 58 LEU H H 58 8.176 8.176 7.742 0.434 25791 5089 1 13 . 1 1 59 59 ALA N N 59 121.608 121.608 121.701 -0.093 25791 5090 1 13 . 1 1 59 59 ALA HA H 59 4.165 4.165 4.009 0.156 25791 5091 1 13 . 1 1 59 59 ALA C C 59 180.497 180.497 179.830 0.667 25791 5092 1 13 . 1 1 59 59 ALA CA C 59 54.582 54.582 54.909 -0.327 25791 5093 1 13 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.315 -0.262 25791 5094 1 13 . 1 1 59 59 ALA H H 59 7.833 7.833 7.968 -0.135 25791 5095 1 13 . 1 1 60 60 GLN N N 60 118.335 118.335 117.739 0.596 25791 5096 1 13 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.910 0.238 25791 5097 1 13 . 1 1 60 60 GLN C C 60 178.334 178.334 178.873 -0.539 25791 5098 1 13 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.942 -0.965 25791 5099 1 13 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.516 -0.081 25791 5100 1 13 . 1 1 60 60 GLN H H 60 8.081 8.081 8.088 -0.007 25791 5101 1 13 . 1 1 61 61 GLN N N 61 120.206 120.206 119.204 1.002 25791 5102 1 13 . 1 1 61 61 GLN HA H 61 4.162 4.162 4.023 0.139 25791 5103 1 13 . 1 1 61 61 GLN C C 61 178.002 178.002 178.650 -0.648 25791 5104 1 13 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.771 -0.866 25791 5105 1 13 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.500 0.080 25791 5106 1 13 . 1 1 61 61 GLN H H 61 8.111 8.111 7.961 0.150 25791 5107 1 13 . 1 1 62 62 GLN N N 62 118.980 118.980 119.362 -0.382 25791 5108 1 13 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.050 0.079 25791 5109 1 13 . 1 1 62 62 GLN C C 62 177.624 177.624 178.427 -0.803 25791 5110 1 13 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.950 -1.315 25791 5111 1 13 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.689 -0.053 25791 5112 1 13 . 1 1 62 62 GLN H H 62 8.203 8.203 8.575 -0.372 25791 5113 1 13 . 1 1 63 63 ALA N N 63 122.712 122.712 121.530 1.182 25791 5114 1 13 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.320 -0.114 25791 5115 1 13 . 1 1 63 63 ALA C C 63 178.922 178.922 178.708 0.214 25791 5116 1 13 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.209 -0.313 25791 5117 1 13 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.480 -0.021 25791 5118 1 13 . 1 1 63 63 ALA H H 63 8.004 8.004 8.089 -0.085 25791 5119 1 13 . 1 1 64 64 ALA N N 64 120.813 120.813 120.256 0.557 25791 5120 1 13 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.169 0.063 25791 5121 1 13 . 1 1 64 64 ALA C C 64 178.732 178.732 178.551 0.181 25791 5122 1 13 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.042 -0.526 25791 5123 1 13 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.203 -0.573 25791 5124 1 13 . 1 1 64 64 ALA H H 64 7.837 7.837 7.674 0.163 25791 5125 1 13 . 1 1 65 65 LEU N N 65 119.196 119.196 118.343 0.853 25791 5126 1 13 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.444 -0.187 25791 5127 1 13 . 1 1 65 65 LEU C C 65 178.038 178.038 177.619 0.419 25791 5128 1 13 . 1 1 65 65 LEU CA C 65 55.822 55.822 55.914 -0.092 25791 5129 1 13 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.352 -0.088 25791 5130 1 13 . 1 1 65 65 LEU H H 65 7.765 7.765 7.499 0.266 25791 5131 1 13 . 1 1 66 66 GLN N N 66 119.365 119.365 114.268 5.097 25791 5132 1 13 . 1 1 66 66 GLN HA H 66 4.275 4.275 4.019 0.256 25791 5133 1 13 . 1 1 66 66 GLN C C 66 176.120 176.120 176.002 0.118 25791 5134 1 13 . 1 1 66 66 GLN CA C 66 56.067 56.067 57.159 -1.092 25791 5135 1 13 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.451 2.681 25791 5136 1 13 . 1 1 66 66 GLN H H 66 7.967 7.967 8.206 -0.239 25791 5137 1 13 . 1 1 67 67 LYS N N 67 121.521 121.521 119.108 2.413 25791 5138 1 13 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.375 -0.066 25791 5139 1 13 . 1 1 67 67 LYS C C 67 176.437 176.437 175.914 0.523 25791 5140 1 13 . 1 1 67 67 LYS CA C 67 56.389 56.389 55.941 0.448 25791 5141 1 13 . 1 1 67 67 LYS CB C 67 33.041 33.041 32.716 0.325 25791 5142 1 13 . 1 1 67 67 LYS H H 67 8.053 8.053 8.010 0.043 25791 5143 1 13 . 1 1 68 68 GLN N N 68 121.970 121.970 117.400 4.570 25791 5144 1 13 . 1 1 68 68 GLN HA H 68 4.339 4.339 3.952 0.387 25791 5145 1 13 . 1 1 68 68 GLN C C 68 175.120 175.120 174.459 0.661 25791 5146 1 13 . 1 1 68 68 GLN CA C 68 56.000 56.000 56.819 -0.819 25791 5147 1 13 . 1 1 68 68 GLN CB C 68 29.498 29.498 27.084 2.414 25791 5148 1 13 . 1 1 68 68 GLN H H 68 8.314 8.314 8.346 -0.032 25791 5149 1 14 . 1 1 2 2 GLN HA H 2 4.447 4.447 3.964 0.483 25791 5150 1 14 . 1 1 2 2 GLN C C 2 176.144 176.144 177.374 -1.230 25791 5151 1 14 . 1 1 2 2 GLN CA C 2 56.209 56.209 59.078 -2.869 25791 5152 1 14 . 1 1 2 2 GLN CB C 2 29.459 29.459 28.593 0.866 25791 5153 1 14 . 1 1 3 3 GLN N N 3 122.052 122.052 118.032 4.020 25791 5154 1 14 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.042 0.281 25791 5155 1 14 . 1 1 3 3 GLN C C 3 176.988 176.988 178.073 -1.085 25791 5156 1 14 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.992 -1.589 25791 5157 1 14 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.041 1.198 25791 5158 1 14 . 1 1 3 3 GLN H H 3 8.780 8.780 8.604 0.176 25791 5159 1 14 . 1 1 4 4 LYS N N 4 121.855 121.855 119.453 2.402 25791 5160 1 14 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.146 -0.142 25791 5161 1 14 . 1 1 4 4 LYS C C 4 177.638 177.638 178.421 -0.783 25791 5162 1 14 . 1 1 4 4 LYS CA C 4 60.239 60.239 58.803 1.436 25791 5163 1 14 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.206 0.493 25791 5164 1 14 . 1 1 4 4 LYS H H 4 8.528 8.528 7.621 0.907 25791 5165 1 14 . 1 1 5 5 GLN N N 5 116.397 116.397 118.811 -2.414 25791 5166 1 14 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.910 0.031 25791 5167 1 14 . 1 1 5 5 GLN C C 5 178.761 178.761 178.511 0.250 25791 5168 1 14 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.936 0.413 25791 5169 1 14 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.312 -0.362 25791 5170 1 14 . 1 1 5 5 GLN H H 5 8.223 8.223 7.745 0.478 25791 5171 1 14 . 1 1 6 6 GLN N N 6 119.262 119.262 118.245 1.017 25791 5172 1 14 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.091 0.037 25791 5173 1 14 . 1 1 6 6 GLN C C 6 179.018 179.018 178.419 0.599 25791 5174 1 14 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.824 0.265 25791 5175 1 14 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.143 0.567 25791 5176 1 14 . 1 1 6 6 GLN H H 6 7.848 7.848 8.013 -0.165 25791 5177 1 14 . 1 1 7 7 ILE N N 7 121.296 121.296 121.678 -0.382 25791 5178 1 14 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.839 -0.256 25791 5179 1 14 . 1 1 7 7 ILE C C 7 177.833 177.833 178.075 -0.242 25791 5180 1 14 . 1 1 7 7 ILE CA C 7 65.129 65.129 62.967 2.162 25791 5181 1 14 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.158 1.048 25791 5182 1 14 . 1 1 7 7 ILE H H 7 8.095 8.095 7.267 0.828 25791 5183 1 14 . 1 1 8 8 MET N N 8 117.603 117.603 119.145 -1.542 25791 5184 1 14 . 1 1 8 8 MET HA H 8 3.985 3.985 4.036 -0.051 25791 5185 1 14 . 1 1 8 8 MET C C 8 177.355 177.355 178.600 -1.245 25791 5186 1 14 . 1 1 8 8 MET CA C 8 59.932 59.932 59.547 0.385 25791 5187 1 14 . 1 1 8 8 MET CB C 8 32.721 32.721 31.987 0.734 25791 5188 1 14 . 1 1 8 8 MET H H 8 8.672 8.672 8.391 0.281 25791 5189 1 14 . 1 1 9 9 ALA N N 9 118.774 118.774 121.479 -2.705 25791 5190 1 14 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.000 0.046 25791 5191 1 14 . 1 1 9 9 ALA C C 9 180.546 180.546 179.293 1.253 25791 5192 1 14 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.236 0.149 25791 5193 1 14 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.922 -0.024 25791 5194 1 14 . 1 1 9 9 ALA H H 9 7.795 7.795 8.413 -0.618 25791 5195 1 14 . 1 1 10 10 ALA N N 10 120.854 120.854 121.367 -0.513 25791 5196 1 14 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.083 0.122 25791 5197 1 14 . 1 1 10 10 ALA C C 10 181.200 181.200 179.589 1.611 25791 5198 1 14 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.811 0.201 25791 5199 1 14 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.254 1.007 25791 5200 1 14 . 1 1 10 10 ALA H H 10 7.438 7.438 7.497 -0.059 25791 5201 1 14 . 1 1 11 11 LEU N N 11 120.775 120.775 118.858 1.917 25791 5202 1 14 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.723 0.025 25791 5203 1 14 . 1 1 11 11 LEU C C 11 179.041 179.041 179.231 -0.190 25791 5204 1 14 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.931 0.415 25791 5205 1 14 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.114 -1.137 25791 5206 1 14 . 1 1 11 11 LEU H H 11 8.757 8.757 8.628 0.129 25791 5207 1 14 . 1 1 12 12 ASN N N 12 116.313 116.313 117.755 -1.442 25791 5208 1 14 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.688 -0.124 25791 5209 1 14 . 1 1 12 12 ASN C C 12 178.900 178.900 178.391 0.509 25791 5210 1 14 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.535 -1.470 25791 5211 1 14 . 1 1 12 12 ASN CB C 12 36.993 36.993 37.834 -0.841 25791 5212 1 14 . 1 1 12 12 ASN H H 12 8.850 8.850 8.582 0.268 25791 5213 1 14 . 1 1 13 13 SER N N 13 114.747 114.747 116.645 -1.898 25791 5214 1 14 . 1 1 13 13 SER HA H 13 4.370 4.370 4.266 0.104 25791 5215 1 14 . 1 1 13 13 SER C C 13 176.515 176.515 176.326 0.189 25791 5216 1 14 . 1 1 13 13 SER CA C 13 61.141 61.141 61.411 -0.270 25791 5217 1 14 . 1 1 13 13 SER CB C 13 63.044 63.044 63.333 -0.289 25791 5218 1 14 . 1 1 13 13 SER H H 13 7.672 7.672 8.019 -0.347 25791 5219 1 14 . 1 1 14 14 GLN N N 14 119.954 119.954 119.014 0.940 25791 5220 1 14 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.198 0.020 25791 5221 1 14 . 1 1 14 14 GLN C C 14 178.208 178.208 176.744 1.464 25791 5222 1 14 . 1 1 14 14 GLN CA C 14 57.749 57.749 58.170 -0.421 25791 5223 1 14 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.659 0.041 25791 5224 1 14 . 1 1 14 14 GLN H H 14 7.573 7.573 8.046 -0.473 25791 5225 1 14 . 1 1 15 15 THR N N 15 107.493 107.493 108.051 -0.558 25791 5226 1 14 . 1 1 15 15 THR HA H 15 3.899 3.899 4.327 -0.428 25791 5227 1 14 . 1 1 15 15 THR C C 15 174.683 174.683 174.363 0.320 25791 5228 1 14 . 1 1 15 15 THR CA C 15 61.551 61.551 60.306 1.245 25791 5229 1 14 . 1 1 15 15 THR CB C 15 69.226 69.226 69.596 -0.370 25791 5230 1 14 . 1 1 15 15 THR H H 15 7.741 7.741 7.160 0.581 25791 5231 1 14 . 1 1 16 16 ALA N N 16 124.034 124.034 126.202 -2.168 25791 5232 1 14 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.040 0.095 25791 5233 1 14 . 1 1 16 16 ALA C C 16 179.899 179.899 178.484 1.415 25791 5234 1 14 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.875 0.332 25791 5235 1 14 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.260 0.464 25791 5236 1 14 . 1 1 16 16 ALA H H 16 6.873 6.873 7.482 -0.609 25791 5237 1 14 . 1 1 17 17 VAL N N 17 117.150 117.150 118.689 -1.539 25791 5238 1 14 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.663 0.051 25791 5239 1 14 . 1 1 17 17 VAL C C 17 178.537 178.537 177.181 1.356 25791 5240 1 14 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.247 1.261 25791 5241 1 14 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.498 0.195 25791 5242 1 14 . 1 1 17 17 VAL H H 17 8.162 8.162 8.413 -0.251 25791 5243 1 14 . 1 1 18 18 GLN N N 18 119.489 119.489 119.330 0.159 25791 5244 1 14 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.244 -0.187 25791 5245 1 14 . 1 1 18 18 GLN C C 18 180.429 180.429 178.853 1.576 25791 5246 1 14 . 1 1 18 18 GLN CA C 18 59.699 59.699 58.978 0.721 25791 5247 1 14 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.494 0.692 25791 5248 1 14 . 1 1 18 18 GLN H H 18 8.451 8.451 7.910 0.541 25791 5249 1 14 . 1 1 19 19 PHE N N 19 117.940 117.940 119.098 -1.158 25791 5250 1 14 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.395 0.435 25791 5251 1 14 . 1 1 19 19 PHE C C 19 177.858 177.858 178.361 -0.503 25791 5252 1 14 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.907 -1.878 25791 5253 1 14 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.087 -2.182 25791 5254 1 14 . 1 1 19 19 PHE H H 19 8.924 8.924 8.721 0.203 25791 5255 1 14 . 1 1 20 20 GLN N N 20 120.297 120.297 119.226 1.071 25791 5256 1 14 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.985 0.121 25791 5257 1 14 . 1 1 20 20 GLN C C 20 178.986 178.986 178.728 0.258 25791 5258 1 14 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.587 -0.023 25791 5259 1 14 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.536 -0.641 25791 5260 1 14 . 1 1 20 20 GLN H H 20 8.264 8.264 8.337 -0.073 25791 5261 1 14 . 1 1 21 21 GLN N N 21 118.595 118.595 119.606 -1.011 25791 5262 1 14 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.061 0.021 25791 5263 1 14 . 1 1 21 21 GLN C C 21 178.806 178.806 178.588 0.218 25791 5264 1 14 . 1 1 21 21 GLN CA C 21 59.170 59.170 59.073 0.097 25791 5265 1 14 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.872 -0.676 25791 5266 1 14 . 1 1 21 21 GLN H H 21 8.527 8.527 8.448 0.079 25791 5267 1 14 . 1 1 22 22 TYR N N 22 119.594 119.594 121.713 -2.119 25791 5268 1 14 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.537 -0.290 25791 5269 1 14 . 1 1 22 22 TYR C C 22 177.789 177.789 177.418 0.371 25791 5270 1 14 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.338 1.374 25791 5271 1 14 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.524 0.200 25791 5272 1 14 . 1 1 22 22 TYR H H 22 7.843 7.843 8.281 -0.438 25791 5273 1 14 . 1 1 23 23 ALA N N 23 120.663 120.663 121.207 -0.544 25791 5274 1 14 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.769 0.088 25791 5275 1 14 . 1 1 23 23 ALA C C 23 179.319 179.319 178.680 0.639 25791 5276 1 14 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.915 0.674 25791 5277 1 14 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.147 0.335 25791 5278 1 14 . 1 1 23 23 ALA H H 23 8.612 8.612 8.631 -0.019 25791 5279 1 14 . 1 1 24 24 ALA N N 24 119.002 119.002 120.565 -1.563 25791 5280 1 14 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.092 -0.154 25791 5281 1 14 . 1 1 24 24 ALA C C 24 178.987 178.987 179.195 -0.208 25791 5282 1 14 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.154 0.163 25791 5283 1 14 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.464 -0.573 25791 5284 1 14 . 1 1 24 24 ALA H H 24 8.168 8.168 7.984 0.184 25791 5285 1 14 . 1 1 25 25 GLN N N 25 115.599 115.599 117.213 -1.614 25791 5286 1 14 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.002 0.002 25791 5287 1 14 . 1 1 25 25 GLN C C 25 177.818 177.818 178.405 -0.587 25791 5288 1 14 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.114 -0.660 25791 5289 1 14 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.838 -0.383 25791 5290 1 14 . 1 1 25 25 GLN H H 25 7.300 7.300 7.575 -0.276 25791 5291 1 14 . 1 1 26 26 GLN N N 26 116.989 116.989 116.410 0.579 25791 5292 1 14 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.854 -0.150 25791 5293 1 14 . 1 1 26 26 GLN C C 26 175.979 175.979 176.092 -0.113 25791 5294 1 14 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.988 -0.200 25791 5295 1 14 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.337 -0.257 25791 5296 1 14 . 1 1 26 26 GLN H H 26 7.401 7.401 7.432 -0.031 25791 5297 1 14 . 1 1 27 27 TYR N N 27 114.712 114.712 117.779 -3.067 25791 5298 1 14 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.885 0.193 25791 5299 1 14 . 1 1 27 27 TYR C C 27 172.931 172.931 173.676 -0.745 25791 5300 1 14 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.622 0.545 25791 5301 1 14 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.267 1.393 25791 5302 1 14 . 1 1 27 27 TYR H H 27 7.675 7.675 8.054 -0.379 25791 5303 1 14 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.341 0.021 25791 5304 1 14 . 1 1 28 28 PRO C C 28 179.333 179.333 177.927 1.406 25791 5305 1 14 . 1 1 28 28 PRO CA C 28 64.394 64.394 64.158 0.236 25791 5306 1 14 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.364 -1.110 25791 5307 1 14 . 1 1 29 29 GLY N N 29 110.091 110.091 112.887 -2.796 25791 5308 1 14 . 1 1 29 29 GLY C C 29 173.218 173.218 174.798 -1.580 25791 5309 1 14 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.341 0.571 25791 5310 1 14 . 1 1 29 29 GLY H H 29 8.826 8.826 8.757 0.069 25791 5311 1 14 . 1 1 30 30 ASN N N 30 118.603 118.603 122.315 -3.712 25791 5312 1 14 . 1 1 30 30 ASN HA H 30 4.999 4.999 5.006 -0.007 25791 5313 1 14 . 1 1 30 30 ASN C C 30 173.977 173.977 174.987 -1.010 25791 5314 1 14 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.347 -0.162 25791 5315 1 14 . 1 1 30 30 ASN CB C 30 38.426 38.426 37.612 0.813 25791 5316 1 14 . 1 1 30 30 ASN H H 30 7.293 7.293 7.738 -0.445 25791 5317 1 14 . 1 1 31 31 TYR N N 31 125.240 125.240 126.690 -1.450 25791 5318 1 14 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.061 -0.163 25791 5319 1 14 . 1 1 31 31 TYR C C 31 177.343 177.343 176.857 0.486 25791 5320 1 14 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.748 -0.937 25791 5321 1 14 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.780 -0.423 25791 5322 1 14 . 1 1 31 31 TYR H H 31 8.509 8.509 7.885 0.624 25791 5323 1 14 . 1 1 32 32 GLU N N 32 118.993 118.993 118.026 0.967 25791 5324 1 14 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.829 0.071 25791 5325 1 14 . 1 1 32 32 GLU C C 32 179.549 179.549 178.726 0.823 25791 5326 1 14 . 1 1 32 32 GLU CA C 32 60.112 60.112 60.058 0.054 25791 5327 1 14 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.869 0.299 25791 5328 1 14 . 1 1 32 32 GLU H H 32 8.714 8.714 8.759 -0.045 25791 5329 1 14 . 1 1 33 33 GLN N N 33 117.037 117.037 117.930 -0.893 25791 5330 1 14 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.833 -0.100 25791 5331 1 14 . 1 1 33 33 GLN C C 33 179.119 179.119 178.545 0.574 25791 5332 1 14 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.454 -0.752 25791 5333 1 14 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.692 -0.066 25791 5334 1 14 . 1 1 33 33 GLN H H 33 7.536 7.536 8.318 -0.782 25791 5335 1 14 . 1 1 34 34 GLN N N 34 117.723 117.723 119.641 -1.918 25791 5336 1 14 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.008 -0.197 25791 5337 1 14 . 1 1 34 34 GLN C C 34 177.634 177.634 178.518 -0.884 25791 5338 1 14 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.361 0.804 25791 5339 1 14 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.518 -1.017 25791 5340 1 14 . 1 1 34 34 GLN H H 34 7.968 7.968 8.341 -0.373 25791 5341 1 14 . 1 1 35 35 GLN N N 35 115.293 115.293 118.828 -3.535 25791 5342 1 14 . 1 1 35 35 GLN HA H 35 3.791 3.791 3.928 -0.137 25791 5343 1 14 . 1 1 35 35 GLN C C 35 178.757 178.757 178.599 0.158 25791 5344 1 14 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.473 0.137 25791 5345 1 14 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.188 0.017 25791 5346 1 14 . 1 1 35 35 GLN H H 35 7.870 7.870 7.923 -0.053 25791 5347 1 14 . 1 1 36 36 ILE N N 36 120.769 120.769 120.341 0.428 25791 5348 1 14 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.621 -0.057 25791 5349 1 14 . 1 1 36 36 ILE C C 36 178.273 178.273 178.198 0.075 25791 5350 1 14 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.121 0.115 25791 5351 1 14 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.659 0.714 25791 5352 1 14 . 1 1 36 36 ILE H H 36 7.503 7.503 8.056 -0.553 25791 5353 1 14 . 1 1 37 37 LEU N N 37 121.056 121.056 121.237 -0.181 25791 5354 1 14 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.033 0.276 25791 5355 1 14 . 1 1 37 37 LEU C C 37 178.348 178.348 178.215 0.133 25791 5356 1 14 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.829 -0.095 25791 5357 1 14 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.785 -0.269 25791 5358 1 14 . 1 1 37 37 LEU H H 37 7.678 7.678 7.713 -0.035 25791 5359 1 14 . 1 1 38 38 ILE N N 38 119.334 119.334 119.580 -0.246 25791 5360 1 14 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.402 -0.061 25791 5361 1 14 . 1 1 38 38 ILE C C 38 177.371 177.371 177.882 -0.511 25791 5362 1 14 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.638 1.446 25791 5363 1 14 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.523 0.826 25791 5364 1 14 . 1 1 38 38 ILE H H 38 8.702 8.702 8.305 0.397 25791 5365 1 14 . 1 1 39 39 ARG N N 39 117.798 117.798 119.249 -1.451 25791 5366 1 14 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.183 0.032 25791 5367 1 14 . 1 1 39 39 ARG C C 39 179.555 179.555 179.025 0.530 25791 5368 1 14 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.772 -0.313 25791 5369 1 14 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.856 -0.104 25791 5370 1 14 . 1 1 39 39 ARG H H 39 7.739 7.739 8.308 -0.569 25791 5371 1 14 . 1 1 40 40 GLN N N 40 119.432 119.432 118.111 1.321 25791 5372 1 14 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.092 0.045 25791 5373 1 14 . 1 1 40 40 GLN C C 40 179.522 179.522 178.358 1.164 25791 5374 1 14 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.277 0.983 25791 5375 1 14 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.129 0.229 25791 5376 1 14 . 1 1 40 40 GLN H H 40 7.811 7.811 7.478 0.333 25791 5377 1 14 . 1 1 41 41 LEU N N 41 121.592 121.592 120.344 1.248 25791 5378 1 14 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.687 -0.000 25791 5379 1 14 . 1 1 41 41 LEU C C 41 178.974 178.974 178.987 -0.013 25791 5380 1 14 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.543 0.420 25791 5381 1 14 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.678 -0.826 25791 5382 1 14 . 1 1 41 41 LEU H H 41 8.648 8.648 7.801 0.847 25791 5383 1 14 . 1 1 42 42 GLN N N 42 119.054 119.054 118.431 0.623 25791 5384 1 14 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.224 0.320 25791 5385 1 14 . 1 1 42 42 GLN C C 42 180.176 180.176 178.795 1.381 25791 5386 1 14 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.443 -0.209 25791 5387 1 14 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.748 -0.828 25791 5388 1 14 . 1 1 42 42 GLN H H 42 8.641 8.641 8.438 0.203 25791 5389 1 14 . 1 1 43 43 GLU N N 43 121.517 121.517 121.023 0.494 25791 5390 1 14 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.050 0.186 25791 5391 1 14 . 1 1 43 43 GLU C C 43 179.721 179.721 178.971 0.750 25791 5392 1 14 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.583 0.084 25791 5393 1 14 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.488 -0.230 25791 5394 1 14 . 1 1 43 43 GLU H H 43 8.111 8.111 7.786 0.325 25791 5395 1 14 . 1 1 44 44 GLN N N 44 119.240 119.240 118.715 0.525 25791 5396 1 14 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.183 -0.067 25791 5397 1 14 . 1 1 44 44 GLN C C 44 179.012 179.012 178.440 0.572 25791 5398 1 14 . 1 1 44 44 GLN CA C 44 59.149 59.149 59.010 0.139 25791 5399 1 14 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.814 0.039 25791 5400 1 14 . 1 1 44 44 GLN H H 44 8.372 8.372 8.042 0.330 25791 5401 1 14 . 1 1 45 45 HIS N N 45 121.705 121.705 120.512 1.193 25791 5402 1 14 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.279 0.001 25791 5403 1 14 . 1 1 45 45 HIS C C 45 176.395 176.395 177.417 -1.022 25791 5404 1 14 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.064 1.295 25791 5405 1 14 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.547 1.778 25791 5406 1 14 . 1 1 45 45 HIS H H 45 9.472 9.472 8.470 1.002 25791 5407 1 14 . 1 1 46 46 TYR N N 46 119.039 119.039 120.192 -1.153 25791 5408 1 14 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.113 -0.264 25791 5409 1 14 . 1 1 46 46 TYR C C 46 176.664 176.664 177.984 -1.320 25791 5410 1 14 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.905 0.346 25791 5411 1 14 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.448 -0.776 25791 5412 1 14 . 1 1 46 46 TYR H H 46 8.253 8.253 8.184 0.069 25791 5413 1 14 . 1 1 47 47 GLN N N 47 116.407 116.407 118.328 -1.921 25791 5414 1 14 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.796 -0.012 25791 5415 1 14 . 1 1 47 47 GLN C C 47 179.048 179.048 178.376 0.672 25791 5416 1 14 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.369 -0.420 25791 5417 1 14 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.519 -0.338 25791 5418 1 14 . 1 1 47 47 GLN H H 47 7.814 7.814 8.550 -0.736 25791 5419 1 14 . 1 1 48 48 GLN N N 48 119.803 119.803 119.648 0.155 25791 5420 1 14 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.116 -0.139 25791 5421 1 14 . 1 1 48 48 GLN C C 48 177.741 177.741 178.136 -0.395 25791 5422 1 14 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.205 0.109 25791 5423 1 14 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.450 -0.122 25791 5424 1 14 . 1 1 48 48 GLN H H 48 8.645 8.645 8.444 0.201 25791 5425 1 14 . 1 1 49 49 TYR N N 49 121.342 121.342 121.896 -0.554 25791 5426 1 14 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.157 -0.517 25791 5427 1 14 . 1 1 49 49 TYR C C 49 176.021 176.021 177.319 -1.298 25791 5428 1 14 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.629 0.480 25791 5429 1 14 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.142 0.765 25791 5430 1 14 . 1 1 49 49 TYR H H 49 9.105 9.105 8.461 0.644 25791 5431 1 14 . 1 1 50 50 MET N N 50 115.522 115.522 118.666 -3.144 25791 5432 1 14 . 1 1 50 50 MET HA H 50 4.040 4.040 3.703 0.337 25791 5433 1 14 . 1 1 50 50 MET C C 50 179.841 179.841 178.070 1.771 25791 5434 1 14 . 1 1 50 50 MET CA C 50 56.623 56.623 56.732 -0.109 25791 5435 1 14 . 1 1 50 50 MET CB C 50 30.099 30.099 31.638 -1.539 25791 5436 1 14 . 1 1 50 50 MET H H 50 8.060 8.060 8.374 -0.314 25791 5437 1 14 . 1 1 51 51 GLN N N 51 118.942 118.942 118.625 0.317 25791 5438 1 14 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.855 0.210 25791 5439 1 14 . 1 1 51 51 GLN C C 51 178.707 178.707 178.344 0.363 25791 5440 1 14 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.239 -0.298 25791 5441 1 14 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.520 -0.031 25791 5442 1 14 . 1 1 51 51 GLN H H 51 7.830 7.830 8.029 -0.199 25791 5443 1 14 . 1 1 52 52 GLN N N 52 119.210 119.210 119.248 -0.038 25791 5444 1 14 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.070 -0.013 25791 5445 1 14 . 1 1 52 52 GLN C C 52 178.738 178.738 178.560 0.178 25791 5446 1 14 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.581 0.168 25791 5447 1 14 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.927 -0.524 25791 5448 1 14 . 1 1 52 52 GLN H H 52 8.187 8.187 7.957 0.230 25791 5449 1 14 . 1 1 53 53 LEU N N 53 121.233 121.233 121.304 -0.071 25791 5450 1 14 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.821 0.020 25791 5451 1 14 . 1 1 53 53 LEU C C 53 179.191 179.191 177.990 1.201 25791 5452 1 14 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.633 0.112 25791 5453 1 14 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.261 0.605 25791 5454 1 14 . 1 1 53 53 LEU H H 53 8.441 8.441 8.220 0.221 25791 5455 1 14 . 1 1 54 54 TYR N N 54 118.505 118.505 118.854 -0.349 25791 5456 1 14 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.923 0.395 25791 5457 1 14 . 1 1 54 54 TYR C C 54 177.535 177.535 177.493 0.042 25791 5458 1 14 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.299 -1.822 25791 5459 1 14 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.363 -0.577 25791 5460 1 14 . 1 1 54 54 TYR H H 54 7.819 7.819 8.371 -0.552 25791 5461 1 14 . 1 1 55 55 GLN N N 55 117.299 117.299 117.633 -0.334 25791 5462 1 14 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.062 -0.163 25791 5463 1 14 . 1 1 55 55 GLN C C 55 179.041 179.041 178.251 0.790 25791 5464 1 14 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.876 -0.167 25791 5465 1 14 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.622 -0.407 25791 5466 1 14 . 1 1 55 55 GLN H H 55 7.735 7.735 7.714 0.021 25791 5467 1 14 . 1 1 56 56 VAL N N 56 120.879 120.879 120.190 0.689 25791 5468 1 14 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.640 0.152 25791 5469 1 14 . 1 1 56 56 VAL C C 56 178.262 178.262 177.774 0.488 25791 5470 1 14 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.473 -0.531 25791 5471 1 14 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.543 0.336 25791 5472 1 14 . 1 1 56 56 VAL H H 56 8.014 8.014 7.489 0.525 25791 5473 1 14 . 1 1 57 57 GLN N N 57 120.513 120.513 120.214 0.299 25791 5474 1 14 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.975 0.085 25791 5475 1 14 . 1 1 57 57 GLN C C 57 178.772 178.772 178.322 0.450 25791 5476 1 14 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.373 0.243 25791 5477 1 14 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.757 0.228 25791 5478 1 14 . 1 1 57 57 GLN H H 57 8.103 8.103 8.425 -0.322 25791 5479 1 14 . 1 1 58 58 LEU N N 58 121.244 121.244 122.260 -1.016 25791 5480 1 14 . 1 1 58 58 LEU HA H 58 4.005 4.005 4.155 -0.150 25791 5481 1 14 . 1 1 58 58 LEU C C 58 179.134 179.134 178.314 0.820 25791 5482 1 14 . 1 1 58 58 LEU CA C 58 57.506 57.506 56.980 0.526 25791 5483 1 14 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.430 0.373 25791 5484 1 14 . 1 1 58 58 LEU H H 58 8.176 8.176 7.787 0.389 25791 5485 1 14 . 1 1 59 59 ALA N N 59 121.608 121.608 121.534 0.074 25791 5486 1 14 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.950 0.215 25791 5487 1 14 . 1 1 59 59 ALA C C 59 180.497 180.497 179.925 0.572 25791 5488 1 14 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.314 -0.732 25791 5489 1 14 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.088 -0.035 25791 5490 1 14 . 1 1 59 59 ALA H H 59 7.833 7.833 8.001 -0.168 25791 5491 1 14 . 1 1 60 60 GLN N N 60 118.335 118.335 117.463 0.872 25791 5492 1 14 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.997 0.151 25791 5493 1 14 . 1 1 60 60 GLN C C 60 178.334 178.334 178.459 -0.125 25791 5494 1 14 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.390 -0.413 25791 5495 1 14 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.219 0.216 25791 5496 1 14 . 1 1 60 60 GLN H H 60 8.081 8.081 7.965 0.116 25791 5497 1 14 . 1 1 61 61 GLN N N 61 120.206 120.206 120.534 -0.328 25791 5498 1 14 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.929 0.233 25791 5499 1 14 . 1 1 61 61 GLN C C 61 178.002 178.002 178.359 -0.357 25791 5500 1 14 . 1 1 61 61 GLN CA C 61 57.905 57.905 59.053 -1.148 25791 5501 1 14 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.540 0.039 25791 5502 1 14 . 1 1 61 61 GLN H H 61 8.111 8.111 8.152 -0.041 25791 5503 1 14 . 1 1 62 62 GLN N N 62 118.980 118.980 118.879 0.101 25791 5504 1 14 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.025 0.104 25791 5505 1 14 . 1 1 62 62 GLN C C 62 177.624 177.624 178.367 -0.743 25791 5506 1 14 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.624 -0.988 25791 5507 1 14 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.586 0.050 25791 5508 1 14 . 1 1 62 62 GLN H H 62 8.203 8.203 8.533 -0.330 25791 5509 1 14 . 1 1 63 63 ALA N N 63 122.712 122.712 121.846 0.866 25791 5510 1 14 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.131 0.075 25791 5511 1 14 . 1 1 63 63 ALA C C 63 178.922 178.922 178.703 0.219 25791 5512 1 14 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.457 -0.561 25791 5513 1 14 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.195 0.264 25791 5514 1 14 . 1 1 63 63 ALA H H 63 8.004 8.004 7.932 0.072 25791 5515 1 14 . 1 1 64 64 ALA N N 64 120.813 120.813 120.941 -0.128 25791 5516 1 14 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.153 0.079 25791 5517 1 14 . 1 1 64 64 ALA C C 64 178.732 178.732 178.973 -0.241 25791 5518 1 14 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.044 -0.528 25791 5519 1 14 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.199 -0.569 25791 5520 1 14 . 1 1 64 64 ALA H H 64 7.837 7.837 7.667 0.170 25791 5521 1 14 . 1 1 65 65 LEU N N 65 119.196 119.196 118.230 0.966 25791 5522 1 14 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.231 0.026 25791 5523 1 14 . 1 1 65 65 LEU C C 65 178.038 178.038 177.773 0.265 25791 5524 1 14 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.281 -0.459 25791 5525 1 14 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.025 0.239 25791 5526 1 14 . 1 1 65 65 LEU H H 65 7.765 7.765 7.819 -0.054 25791 5527 1 14 . 1 1 66 66 GLN N N 66 119.365 119.365 113.638 5.727 25791 5528 1 14 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.965 0.310 25791 5529 1 14 . 1 1 66 66 GLN C C 66 176.120 176.120 176.276 -0.156 25791 5530 1 14 . 1 1 66 66 GLN CA C 66 56.067 56.067 57.212 -1.145 25791 5531 1 14 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.926 2.206 25791 5532 1 14 . 1 1 66 66 GLN H H 66 7.967 7.967 8.208 -0.241 25791 5533 1 14 . 1 1 67 67 LYS N N 67 121.521 121.521 117.066 4.455 25791 5534 1 14 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.347 -0.038 25791 5535 1 14 . 1 1 67 67 LYS C C 67 176.437 176.437 175.382 1.055 25791 5536 1 14 . 1 1 67 67 LYS CA C 67 56.389 56.389 56.166 0.223 25791 5537 1 14 . 1 1 67 67 LYS CB C 67 33.041 33.041 33.222 -0.181 25791 5538 1 14 . 1 1 67 67 LYS H H 67 8.053 8.053 8.098 -0.045 25791 5539 1 14 . 1 1 68 68 GLN N N 68 121.970 121.970 118.776 3.194 25791 5540 1 14 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.439 -0.100 25791 5541 1 14 . 1 1 68 68 GLN C C 68 175.120 175.120 175.842 -0.722 25791 5542 1 14 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.383 0.617 25791 5543 1 14 . 1 1 68 68 GLN CB C 68 29.498 29.498 28.439 1.059 25791 5544 1 14 . 1 1 68 68 GLN H H 68 8.314 8.314 8.143 0.171 25791 5545 1 15 . 1 1 2 2 GLN HA H 2 4.447 4.447 3.987 0.460 25791 5546 1 15 . 1 1 2 2 GLN C C 2 176.144 176.144 177.478 -1.334 25791 5547 1 15 . 1 1 2 2 GLN CA C 2 56.209 56.209 59.244 -3.035 25791 5548 1 15 . 1 1 2 2 GLN CB C 2 29.459 29.459 28.437 1.022 25791 5549 1 15 . 1 1 3 3 GLN N N 3 122.052 122.052 117.054 4.998 25791 5550 1 15 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.226 0.097 25791 5551 1 15 . 1 1 3 3 GLN C C 3 176.988 176.988 178.645 -1.657 25791 5552 1 15 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.479 -1.076 25791 5553 1 15 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.396 0.843 25791 5554 1 15 . 1 1 3 3 GLN H H 3 8.780 8.780 8.554 0.226 25791 5555 1 15 . 1 1 4 4 LYS N N 4 121.855 121.855 120.212 1.643 25791 5556 1 15 . 1 1 4 4 LYS HA H 4 4.004 4.004 3.980 0.024 25791 5557 1 15 . 1 1 4 4 LYS C C 4 177.638 177.638 178.638 -1.000 25791 5558 1 15 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.392 0.847 25791 5559 1 15 . 1 1 4 4 LYS CB C 4 32.699 32.699 31.888 0.811 25791 5560 1 15 . 1 1 4 4 LYS H H 4 8.528 8.528 7.555 0.973 25791 5561 1 15 . 1 1 5 5 GLN N N 5 116.397 116.397 117.599 -1.202 25791 5562 1 15 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.928 0.013 25791 5563 1 15 . 1 1 5 5 GLN C C 5 178.761 178.761 178.333 0.428 25791 5564 1 15 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.899 0.450 25791 5565 1 15 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.030 -0.080 25791 5566 1 15 . 1 1 5 5 GLN H H 5 8.223 8.223 7.943 0.280 25791 5567 1 15 . 1 1 6 6 GLN N N 6 119.262 119.262 118.220 1.042 25791 5568 1 15 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.131 -0.003 25791 5569 1 15 . 1 1 6 6 GLN C C 6 179.018 179.018 178.143 0.875 25791 5570 1 15 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.683 0.406 25791 5571 1 15 . 1 1 6 6 GLN CB C 6 28.710 28.710 27.914 0.796 25791 5572 1 15 . 1 1 6 6 GLN H H 6 7.848 7.848 7.881 -0.033 25791 5573 1 15 . 1 1 7 7 ILE N N 7 121.296 121.296 122.074 -0.778 25791 5574 1 15 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.807 -0.224 25791 5575 1 15 . 1 1 7 7 ILE C C 7 177.833 177.833 178.176 -0.343 25791 5576 1 15 . 1 1 7 7 ILE CA C 7 65.129 65.129 63.338 1.791 25791 5577 1 15 . 1 1 7 7 ILE CB C 7 38.206 38.206 36.956 1.250 25791 5578 1 15 . 1 1 7 7 ILE H H 7 8.095 8.095 7.324 0.771 25791 5579 1 15 . 1 1 8 8 MET N N 8 117.603 117.603 119.460 -1.857 25791 5580 1 15 . 1 1 8 8 MET HA H 8 3.985 3.985 4.018 -0.033 25791 5581 1 15 . 1 1 8 8 MET C C 8 177.355 177.355 178.936 -1.581 25791 5582 1 15 . 1 1 8 8 MET CA C 8 59.932 59.932 57.186 2.746 25791 5583 1 15 . 1 1 8 8 MET CB C 8 32.721 32.721 30.480 2.241 25791 5584 1 15 . 1 1 8 8 MET H H 8 8.672 8.672 8.410 0.262 25791 5585 1 15 . 1 1 9 9 ALA N N 9 118.774 118.774 121.320 -2.546 25791 5586 1 15 . 1 1 9 9 ALA HA H 9 4.046 4.046 3.969 0.077 25791 5587 1 15 . 1 1 9 9 ALA C C 9 180.546 180.546 179.011 1.535 25791 5588 1 15 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.175 0.210 25791 5589 1 15 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.981 -0.083 25791 5590 1 15 . 1 1 9 9 ALA H H 9 7.795 7.795 8.268 -0.473 25791 5591 1 15 . 1 1 10 10 ALA N N 10 120.854 120.854 121.647 -0.793 25791 5592 1 15 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.009 0.196 25791 5593 1 15 . 1 1 10 10 ALA C C 10 181.200 181.200 179.464 1.736 25791 5594 1 15 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.794 0.218 25791 5595 1 15 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.421 0.840 25791 5596 1 15 . 1 1 10 10 ALA H H 10 7.438 7.438 7.568 -0.130 25791 5597 1 15 . 1 1 11 11 LEU N N 11 120.775 120.775 118.883 1.892 25791 5598 1 15 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.777 -0.029 25791 5599 1 15 . 1 1 11 11 LEU C C 11 179.041 179.041 179.262 -0.221 25791 5600 1 15 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.812 0.534 25791 5601 1 15 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.427 -1.450 25791 5602 1 15 . 1 1 11 11 LEU H H 11 8.757 8.757 8.430 0.327 25791 5603 1 15 . 1 1 12 12 ASN N N 12 116.313 116.313 116.793 -0.480 25791 5604 1 15 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.471 0.093 25791 5605 1 15 . 1 1 12 12 ASN C C 12 178.900 178.900 176.901 1.999 25791 5606 1 15 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.614 -1.549 25791 5607 1 15 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.826 -1.833 25791 5608 1 15 . 1 1 12 12 ASN H H 12 8.850 8.850 8.553 0.297 25791 5609 1 15 . 1 1 13 13 SER N N 13 114.747 114.747 115.246 -0.499 25791 5610 1 15 . 1 1 13 13 SER HA H 13 4.370 4.370 4.172 0.198 25791 5611 1 15 . 1 1 13 13 SER C C 13 176.515 176.515 176.652 -0.137 25791 5612 1 15 . 1 1 13 13 SER CA C 13 61.141 61.141 61.833 -0.692 25791 5613 1 15 . 1 1 13 13 SER CB C 13 63.044 63.044 63.263 -0.219 25791 5614 1 15 . 1 1 13 13 SER H H 13 7.672 7.672 7.780 -0.108 25791 5615 1 15 . 1 1 14 14 GLN N N 14 119.954 119.954 118.737 1.217 25791 5616 1 15 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.180 0.038 25791 5617 1 15 . 1 1 14 14 GLN C C 14 178.208 178.208 177.038 1.170 25791 5618 1 15 . 1 1 14 14 GLN CA C 14 57.749 57.749 58.326 -0.577 25791 5619 1 15 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.715 -0.015 25791 5620 1 15 . 1 1 14 14 GLN H H 14 7.573 7.573 7.871 -0.298 25791 5621 1 15 . 1 1 15 15 THR N N 15 107.493 107.493 108.232 -0.739 25791 5622 1 15 . 1 1 15 15 THR HA H 15 3.899 3.899 4.416 -0.517 25791 5623 1 15 . 1 1 15 15 THR C C 15 174.683 174.683 174.384 0.299 25791 5624 1 15 . 1 1 15 15 THR CA C 15 61.551 61.551 60.518 1.033 25791 5625 1 15 . 1 1 15 15 THR CB C 15 69.226 69.226 69.400 -0.174 25791 5626 1 15 . 1 1 15 15 THR H H 15 7.741 7.741 7.383 0.358 25791 5627 1 15 . 1 1 16 16 ALA N N 16 124.034 124.034 126.342 -2.308 25791 5628 1 15 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.058 0.077 25791 5629 1 15 . 1 1 16 16 ALA C C 16 179.899 179.899 178.719 1.180 25791 5630 1 15 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.676 0.531 25791 5631 1 15 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.079 0.645 25791 5632 1 15 . 1 1 16 16 ALA H H 16 6.873 6.873 7.488 -0.615 25791 5633 1 15 . 1 1 17 17 VAL N N 17 117.150 117.150 118.015 -0.865 25791 5634 1 15 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.775 -0.061 25791 5635 1 15 . 1 1 17 17 VAL C C 17 178.537 178.537 177.397 1.140 25791 5636 1 15 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.287 1.221 25791 5637 1 15 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.284 0.409 25791 5638 1 15 . 1 1 17 17 VAL H H 17 8.162 8.162 8.453 -0.291 25791 5639 1 15 . 1 1 18 18 GLN N N 18 119.489 119.489 119.146 0.343 25791 5640 1 15 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.301 -0.244 25791 5641 1 15 . 1 1 18 18 GLN C C 18 180.429 180.429 178.988 1.441 25791 5642 1 15 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.126 0.573 25791 5643 1 15 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.604 0.583 25791 5644 1 15 . 1 1 18 18 GLN H H 18 8.451 8.451 8.072 0.379 25791 5645 1 15 . 1 1 19 19 PHE N N 19 117.940 117.940 119.037 -1.097 25791 5646 1 15 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.466 0.364 25791 5647 1 15 . 1 1 19 19 PHE C C 19 177.858 177.858 178.336 -0.478 25791 5648 1 15 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.624 -1.595 25791 5649 1 15 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.129 -2.224 25791 5650 1 15 . 1 1 19 19 PHE H H 19 8.924 8.924 8.832 0.092 25791 5651 1 15 . 1 1 20 20 GLN N N 20 120.297 120.297 119.704 0.593 25791 5652 1 15 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.992 0.114 25791 5653 1 15 . 1 1 20 20 GLN C C 20 178.986 178.986 178.666 0.320 25791 5654 1 15 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.743 -0.180 25791 5655 1 15 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.592 -0.697 25791 5656 1 15 . 1 1 20 20 GLN H H 20 8.264 8.264 8.348 -0.084 25791 5657 1 15 . 1 1 21 21 GLN N N 21 118.595 118.595 119.562 -0.967 25791 5658 1 15 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.050 0.032 25791 5659 1 15 . 1 1 21 21 GLN C C 21 178.806 178.806 178.549 0.257 25791 5660 1 15 . 1 1 21 21 GLN CA C 21 59.170 59.170 59.134 0.036 25791 5661 1 15 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.830 -0.634 25791 5662 1 15 . 1 1 21 21 GLN H H 21 8.527 8.527 8.567 -0.040 25791 5663 1 15 . 1 1 22 22 TYR N N 22 119.594 119.594 121.651 -2.057 25791 5664 1 15 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.235 0.012 25791 5665 1 15 . 1 1 22 22 TYR C C 22 177.789 177.789 177.360 0.429 25791 5666 1 15 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.663 1.048 25791 5667 1 15 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.410 0.314 25791 5668 1 15 . 1 1 22 22 TYR H H 22 7.843 7.843 8.320 -0.477 25791 5669 1 15 . 1 1 23 23 ALA N N 23 120.663 120.663 121.045 -0.382 25791 5670 1 15 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.748 0.109 25791 5671 1 15 . 1 1 23 23 ALA C C 23 179.319 179.319 178.742 0.577 25791 5672 1 15 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.917 0.672 25791 5673 1 15 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.197 0.285 25791 5674 1 15 . 1 1 23 23 ALA H H 23 8.612 8.612 8.576 0.036 25791 5675 1 15 . 1 1 24 24 ALA N N 24 119.002 119.002 120.821 -1.819 25791 5676 1 15 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.077 -0.139 25791 5677 1 15 . 1 1 24 24 ALA C C 24 178.987 178.987 179.252 -0.265 25791 5678 1 15 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.230 0.087 25791 5679 1 15 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.493 -0.602 25791 5680 1 15 . 1 1 24 24 ALA H H 24 8.168 8.168 8.150 0.018 25791 5681 1 15 . 1 1 25 25 GLN N N 25 115.599 115.599 116.954 -1.355 25791 5682 1 15 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.002 0.002 25791 5683 1 15 . 1 1 25 25 GLN C C 25 177.818 177.818 178.394 -0.576 25791 5684 1 15 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.126 -0.672 25791 5685 1 15 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.884 -0.429 25791 5686 1 15 . 1 1 25 25 GLN H H 25 7.300 7.300 7.813 -0.513 25791 5687 1 15 . 1 1 26 26 GLN N N 26 116.989 116.989 116.703 0.286 25791 5688 1 15 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.814 -0.110 25791 5689 1 15 . 1 1 26 26 GLN C C 26 175.979 175.979 176.102 -0.123 25791 5690 1 15 . 1 1 26 26 GLN CA C 26 56.788 56.788 57.233 -0.445 25791 5691 1 15 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.468 -0.388 25791 5692 1 15 . 1 1 26 26 GLN H H 26 7.401 7.401 7.411 -0.010 25791 5693 1 15 . 1 1 27 27 TYR N N 27 114.712 114.712 117.491 -2.779 25791 5694 1 15 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.893 0.185 25791 5695 1 15 . 1 1 27 27 TYR C C 27 172.931 172.931 173.667 -0.736 25791 5696 1 15 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.594 0.573 25791 5697 1 15 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.237 1.423 25791 5698 1 15 . 1 1 27 27 TYR H H 27 7.675 7.675 8.053 -0.378 25791 5699 1 15 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.340 0.022 25791 5700 1 15 . 1 1 28 28 PRO C C 28 179.333 179.333 177.928 1.405 25791 5701 1 15 . 1 1 28 28 PRO CA C 28 64.394 64.394 64.218 0.176 25791 5702 1 15 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.329 -1.075 25791 5703 1 15 . 1 1 29 29 GLY N N 29 110.091 110.091 113.011 -2.920 25791 5704 1 15 . 1 1 29 29 GLY C C 29 173.218 173.218 174.841 -1.623 25791 5705 1 15 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.273 0.639 25791 5706 1 15 . 1 1 29 29 GLY H H 29 8.826 8.826 8.739 0.087 25791 5707 1 15 . 1 1 30 30 ASN N N 30 118.603 118.603 122.614 -4.011 25791 5708 1 15 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.995 0.004 25791 5709 1 15 . 1 1 30 30 ASN C C 30 173.977 173.977 175.093 -1.116 25791 5710 1 15 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.402 -0.217 25791 5711 1 15 . 1 1 30 30 ASN CB C 30 38.426 38.426 37.478 0.948 25791 5712 1 15 . 1 1 30 30 ASN H H 30 7.293 7.293 7.778 -0.485 25791 5713 1 15 . 1 1 31 31 TYR N N 31 125.240 125.240 126.557 -1.317 25791 5714 1 15 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.058 -0.160 25791 5715 1 15 . 1 1 31 31 TYR C C 31 177.343 177.343 176.781 0.562 25791 5716 1 15 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.641 -0.830 25791 5717 1 15 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.651 -0.294 25791 5718 1 15 . 1 1 31 31 TYR H H 31 8.509 8.509 7.890 0.619 25791 5719 1 15 . 1 1 32 32 GLU N N 32 118.993 118.993 117.840 1.153 25791 5720 1 15 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.591 0.309 25791 5721 1 15 . 1 1 32 32 GLU C C 32 179.549 179.549 178.712 0.837 25791 5722 1 15 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.774 0.338 25791 5723 1 15 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.846 0.322 25791 5724 1 15 . 1 1 32 32 GLU H H 32 8.714 8.714 8.709 0.005 25791 5725 1 15 . 1 1 33 33 GLN N N 33 117.037 117.037 118.174 -1.137 25791 5726 1 15 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.858 -0.125 25791 5727 1 15 . 1 1 33 33 GLN C C 33 179.119 179.119 178.509 0.610 25791 5728 1 15 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.506 -0.804 25791 5729 1 15 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.776 -0.150 25791 5730 1 15 . 1 1 33 33 GLN H H 33 7.536 7.536 8.294 -0.758 25791 5731 1 15 . 1 1 34 34 GLN N N 34 117.723 117.723 119.592 -1.869 25791 5732 1 15 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.001 -0.190 25791 5733 1 15 . 1 1 34 34 GLN C C 34 177.634 177.634 178.553 -0.919 25791 5734 1 15 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.444 0.721 25791 5735 1 15 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.544 -1.043 25791 5736 1 15 . 1 1 34 34 GLN H H 34 7.968 7.968 8.416 -0.448 25791 5737 1 15 . 1 1 35 35 GLN N N 35 115.293 115.293 118.834 -3.541 25791 5738 1 15 . 1 1 35 35 GLN HA H 35 3.791 3.791 3.979 -0.188 25791 5739 1 15 . 1 1 35 35 GLN C C 35 178.757 178.757 178.615 0.142 25791 5740 1 15 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.502 0.108 25791 5741 1 15 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.203 0.002 25791 5742 1 15 . 1 1 35 35 GLN H H 35 7.870 7.870 7.841 0.029 25791 5743 1 15 . 1 1 36 36 ILE N N 36 120.769 120.769 120.425 0.344 25791 5744 1 15 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.635 -0.071 25791 5745 1 15 . 1 1 36 36 ILE C C 36 178.273 178.273 178.127 0.146 25791 5746 1 15 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.142 0.094 25791 5747 1 15 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.652 0.721 25791 5748 1 15 . 1 1 36 36 ILE H H 36 7.503 7.503 8.027 -0.524 25791 5749 1 15 . 1 1 37 37 LEU N N 37 121.056 121.056 121.604 -0.548 25791 5750 1 15 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.014 0.295 25791 5751 1 15 . 1 1 37 37 LEU C C 37 178.348 178.348 178.216 0.132 25791 5752 1 15 . 1 1 37 37 LEU CA C 37 57.734 57.734 58.044 -0.310 25791 5753 1 15 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.742 -0.226 25791 5754 1 15 . 1 1 37 37 LEU H H 37 7.678 7.678 8.014 -0.336 25791 5755 1 15 . 1 1 38 38 ILE N N 38 119.334 119.334 119.447 -0.113 25791 5756 1 15 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.439 -0.098 25791 5757 1 15 . 1 1 38 38 ILE C C 38 177.371 177.371 177.972 -0.601 25791 5758 1 15 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.616 1.469 25791 5759 1 15 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.538 0.811 25791 5760 1 15 . 1 1 38 38 ILE H H 38 8.702 8.702 8.284 0.418 25791 5761 1 15 . 1 1 39 39 ARG N N 39 117.798 117.798 119.884 -2.086 25791 5762 1 15 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.208 0.007 25791 5763 1 15 . 1 1 39 39 ARG C C 39 179.555 179.555 179.331 0.224 25791 5764 1 15 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.893 -0.434 25791 5765 1 15 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.990 -0.238 25791 5766 1 15 . 1 1 39 39 ARG H H 39 7.739 7.739 8.371 -0.632 25791 5767 1 15 . 1 1 40 40 GLN N N 40 119.432 119.432 118.784 0.648 25791 5768 1 15 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.070 0.067 25791 5769 1 15 . 1 1 40 40 GLN C C 40 179.522 179.522 178.627 0.895 25791 5770 1 15 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.747 0.513 25791 5771 1 15 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.576 -0.218 25791 5772 1 15 . 1 1 40 40 GLN H H 40 7.811 7.811 7.582 0.229 25791 5773 1 15 . 1 1 41 41 LEU N N 41 121.592 121.592 120.991 0.601 25791 5774 1 15 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.774 -0.087 25791 5775 1 15 . 1 1 41 41 LEU C C 41 178.974 178.974 178.963 0.011 25791 5776 1 15 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.826 0.137 25791 5777 1 15 . 1 1 41 41 LEU CB C 41 39.852 39.852 41.057 -1.205 25791 5778 1 15 . 1 1 41 41 LEU H H 41 8.648 8.648 8.070 0.578 25791 5779 1 15 . 1 1 42 42 GLN N N 42 119.054 119.054 118.374 0.680 25791 5780 1 15 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.330 0.214 25791 5781 1 15 . 1 1 42 42 GLN C C 42 180.176 180.176 178.781 1.395 25791 5782 1 15 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.479 -0.245 25791 5783 1 15 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.808 -0.888 25791 5784 1 15 . 1 1 42 42 GLN H H 42 8.641 8.641 8.533 0.108 25791 5785 1 15 . 1 1 43 43 GLU N N 43 121.517 121.517 121.366 0.151 25791 5786 1 15 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.079 0.157 25791 5787 1 15 . 1 1 43 43 GLU C C 43 179.721 179.721 178.991 0.730 25791 5788 1 15 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.568 0.099 25791 5789 1 15 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.559 -0.301 25791 5790 1 15 . 1 1 43 43 GLU H H 43 8.111 8.111 7.928 0.183 25791 5791 1 15 . 1 1 44 44 GLN N N 44 119.240 119.240 118.214 1.026 25791 5792 1 15 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.028 0.088 25791 5793 1 15 . 1 1 44 44 GLN C C 44 179.012 179.012 178.320 0.692 25791 5794 1 15 . 1 1 44 44 GLN CA C 44 59.149 59.149 59.132 0.017 25791 5795 1 15 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.765 0.089 25791 5796 1 15 . 1 1 44 44 GLN H H 44 8.372 8.372 8.356 0.016 25791 5797 1 15 . 1 1 45 45 HIS N N 45 121.705 121.705 120.784 0.921 25791 5798 1 15 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.269 0.011 25791 5799 1 15 . 1 1 45 45 HIS C C 45 176.395 176.395 177.219 -0.824 25791 5800 1 15 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.140 1.219 25791 5801 1 15 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.508 1.817 25791 5802 1 15 . 1 1 45 45 HIS H H 45 9.472 9.472 8.346 1.126 25791 5803 1 15 . 1 1 46 46 TYR N N 46 119.039 119.039 120.534 -1.495 25791 5804 1 15 . 1 1 46 46 TYR HA H 46 3.849 3.849 3.996 -0.147 25791 5805 1 15 . 1 1 46 46 TYR C C 46 176.664 176.664 178.054 -1.390 25791 5806 1 15 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.759 0.492 25791 5807 1 15 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.348 -0.676 25791 5808 1 15 . 1 1 46 46 TYR H H 46 8.253 8.253 8.304 -0.051 25791 5809 1 15 . 1 1 47 47 GLN N N 47 116.407 116.407 117.062 -0.655 25791 5810 1 15 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.799 -0.015 25791 5811 1 15 . 1 1 47 47 GLN C C 47 179.048 179.048 178.526 0.522 25791 5812 1 15 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.223 -0.274 25791 5813 1 15 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.093 0.088 25791 5814 1 15 . 1 1 47 47 GLN H H 47 7.814 7.814 8.322 -0.508 25791 5815 1 15 . 1 1 48 48 GLN N N 48 119.803 119.803 119.845 -0.042 25791 5816 1 15 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.089 -0.112 25791 5817 1 15 . 1 1 48 48 GLN C C 48 177.741 177.741 178.279 -0.538 25791 5818 1 15 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.231 0.083 25791 5819 1 15 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.375 -0.047 25791 5820 1 15 . 1 1 48 48 GLN H H 48 8.645 8.645 8.382 0.264 25791 5821 1 15 . 1 1 49 49 TYR N N 49 121.342 121.342 121.694 -0.352 25791 5822 1 15 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.131 -0.491 25791 5823 1 15 . 1 1 49 49 TYR C C 49 176.021 176.021 177.514 -1.493 25791 5824 1 15 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.707 0.402 25791 5825 1 15 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.335 0.572 25791 5826 1 15 . 1 1 49 49 TYR H H 49 9.105 9.105 8.615 0.490 25791 5827 1 15 . 1 1 50 50 MET N N 50 115.522 115.522 118.194 -2.672 25791 5828 1 15 . 1 1 50 50 MET HA H 50 4.040 4.040 3.668 0.372 25791 5829 1 15 . 1 1 50 50 MET C C 50 179.841 179.841 178.314 1.527 25791 5830 1 15 . 1 1 50 50 MET CA C 50 56.623 56.623 58.583 -1.960 25791 5831 1 15 . 1 1 50 50 MET CB C 50 30.099 30.099 32.091 -1.992 25791 5832 1 15 . 1 1 50 50 MET H H 50 8.060 8.060 8.352 -0.292 25791 5833 1 15 . 1 1 51 51 GLN N N 51 118.942 118.942 118.273 0.669 25791 5834 1 15 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.930 0.135 25791 5835 1 15 . 1 1 51 51 GLN C C 51 178.707 178.707 178.561 0.146 25791 5836 1 15 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.191 -0.250 25791 5837 1 15 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.166 0.323 25791 5838 1 15 . 1 1 51 51 GLN H H 51 7.830 7.830 7.957 -0.127 25791 5839 1 15 . 1 1 52 52 GLN N N 52 119.210 119.210 120.249 -1.039 25791 5840 1 15 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.298 -0.241 25791 5841 1 15 . 1 1 52 52 GLN C C 52 178.738 178.738 178.499 0.239 25791 5842 1 15 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.429 0.320 25791 5843 1 15 . 1 1 52 52 GLN CB C 52 28.403 28.403 29.019 -0.616 25791 5844 1 15 . 1 1 52 52 GLN H H 52 8.187 8.187 7.990 0.197 25791 5845 1 15 . 1 1 53 53 LEU N N 53 121.233 121.233 121.360 -0.127 25791 5846 1 15 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.809 0.032 25791 5847 1 15 . 1 1 53 53 LEU C C 53 179.191 179.191 177.988 1.203 25791 5848 1 15 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.648 0.097 25791 5849 1 15 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.194 0.672 25791 5850 1 15 . 1 1 53 53 LEU H H 53 8.441 8.441 8.101 0.340 25791 5851 1 15 . 1 1 54 54 TYR N N 54 118.505 118.505 119.224 -0.719 25791 5852 1 15 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.889 0.429 25791 5853 1 15 . 1 1 54 54 TYR C C 54 177.535 177.535 177.340 0.195 25791 5854 1 15 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.363 -1.886 25791 5855 1 15 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.111 -0.325 25791 5856 1 15 . 1 1 54 54 TYR H H 54 7.819 7.819 8.181 -0.362 25791 5857 1 15 . 1 1 55 55 GLN N N 55 117.299 117.299 117.392 -0.093 25791 5858 1 15 . 1 1 55 55 GLN HA H 55 3.899 3.899 3.868 0.031 25791 5859 1 15 . 1 1 55 55 GLN C C 55 179.041 179.041 178.275 0.766 25791 5860 1 15 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.925 -0.216 25791 5861 1 15 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.429 -0.214 25791 5862 1 15 . 1 1 55 55 GLN H H 55 7.735 7.735 7.711 0.024 25791 5863 1 15 . 1 1 56 56 VAL N N 56 120.879 120.879 120.061 0.818 25791 5864 1 15 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.566 0.226 25791 5865 1 15 . 1 1 56 56 VAL C C 56 178.262 178.262 177.891 0.371 25791 5866 1 15 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.585 -0.643 25791 5867 1 15 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.507 0.372 25791 5868 1 15 . 1 1 56 56 VAL H H 56 8.014 8.014 7.657 0.356 25791 5869 1 15 . 1 1 57 57 GLN N N 57 120.513 120.513 119.192 1.321 25791 5870 1 15 . 1 1 57 57 GLN HA H 57 4.060 4.060 4.075 -0.015 25791 5871 1 15 . 1 1 57 57 GLN C C 57 178.772 178.772 178.194 0.578 25791 5872 1 15 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.077 0.539 25791 5873 1 15 . 1 1 57 57 GLN CB C 57 27.985 27.985 28.128 -0.143 25791 5874 1 15 . 1 1 57 57 GLN H H 57 8.103 8.103 8.016 0.087 25791 5875 1 15 . 1 1 58 58 LEU N N 58 121.244 121.244 122.165 -0.921 25791 5876 1 15 . 1 1 58 58 LEU HA H 58 4.005 4.005 4.220 -0.215 25791 5877 1 15 . 1 1 58 58 LEU C C 58 179.134 179.134 178.350 0.784 25791 5878 1 15 . 1 1 58 58 LEU CA C 58 57.506 57.506 56.913 0.593 25791 5879 1 15 . 1 1 58 58 LEU CB C 58 41.803 41.803 40.918 0.885 25791 5880 1 15 . 1 1 58 58 LEU H H 58 8.176 8.176 8.114 0.062 25791 5881 1 15 . 1 1 59 59 ALA N N 59 121.608 121.608 121.416 0.192 25791 5882 1 15 . 1 1 59 59 ALA HA H 59 4.165 4.165 4.101 0.064 25791 5883 1 15 . 1 1 59 59 ALA C C 59 180.497 180.497 179.933 0.564 25791 5884 1 15 . 1 1 59 59 ALA CA C 59 54.582 54.582 54.805 -0.223 25791 5885 1 15 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.386 -0.333 25791 5886 1 15 . 1 1 59 59 ALA H H 59 7.833 7.833 8.104 -0.271 25791 5887 1 15 . 1 1 60 60 GLN N N 60 118.335 118.335 117.612 0.723 25791 5888 1 15 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.906 0.242 25791 5889 1 15 . 1 1 60 60 GLN C C 60 178.334 178.334 178.752 -0.418 25791 5890 1 15 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.857 -0.880 25791 5891 1 15 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.614 -0.179 25791 5892 1 15 . 1 1 60 60 GLN H H 60 8.081 8.081 7.628 0.453 25791 5893 1 15 . 1 1 61 61 GLN N N 61 120.206 120.206 119.607 0.599 25791 5894 1 15 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.929 0.233 25791 5895 1 15 . 1 1 61 61 GLN C C 61 178.002 178.002 178.670 -0.668 25791 5896 1 15 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.967 -1.062 25791 5897 1 15 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.497 0.082 25791 5898 1 15 . 1 1 61 61 GLN H H 61 8.111 8.111 8.087 0.024 25791 5899 1 15 . 1 1 62 62 GLN N N 62 118.980 118.980 119.063 -0.083 25791 5900 1 15 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.007 0.122 25791 5901 1 15 . 1 1 62 62 GLN C C 62 177.624 177.624 178.254 -0.630 25791 5902 1 15 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.767 -1.131 25791 5903 1 15 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.557 0.079 25791 5904 1 15 . 1 1 62 62 GLN H H 62 8.203 8.203 8.454 -0.251 25791 5905 1 15 . 1 1 63 63 ALA N N 63 122.712 122.712 121.723 0.989 25791 5906 1 15 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.143 0.063 25791 5907 1 15 . 1 1 63 63 ALA C C 63 178.922 178.922 178.906 0.016 25791 5908 1 15 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.389 -0.493 25791 5909 1 15 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.232 0.227 25791 5910 1 15 . 1 1 63 63 ALA H H 63 8.004 8.004 7.701 0.303 25791 5911 1 15 . 1 1 64 64 ALA N N 64 120.813 120.813 120.379 0.434 25791 5912 1 15 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.141 0.091 25791 5913 1 15 . 1 1 64 64 ALA C C 64 178.732 178.732 178.667 0.065 25791 5914 1 15 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.106 -0.590 25791 5915 1 15 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.155 -0.525 25791 5916 1 15 . 1 1 64 64 ALA H H 64 7.837 7.837 7.746 0.091 25791 5917 1 15 . 1 1 65 65 LEU N N 65 119.196 119.196 118.360 0.836 25791 5918 1 15 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.359 -0.102 25791 5919 1 15 . 1 1 65 65 LEU C C 65 178.038 178.038 177.853 0.185 25791 5920 1 15 . 1 1 65 65 LEU CA C 65 55.822 55.822 55.980 -0.158 25791 5921 1 15 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.350 -0.086 25791 5922 1 15 . 1 1 65 65 LEU H H 65 7.765 7.765 7.536 0.229 25791 5923 1 15 . 1 1 66 66 GLN N N 66 119.365 119.365 114.510 4.855 25791 5924 1 15 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.986 0.289 25791 5925 1 15 . 1 1 66 66 GLN C C 66 176.120 176.120 176.483 -0.363 25791 5926 1 15 . 1 1 66 66 GLN CA C 66 56.067 56.067 57.011 -0.944 25791 5927 1 15 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.753 2.379 25791 5928 1 15 . 1 1 66 66 GLN H H 66 7.967 7.967 8.346 -0.379 25791 5929 1 15 . 1 1 67 67 LYS N N 67 121.521 121.521 117.806 3.715 25791 5930 1 15 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.328 -0.019 25791 5931 1 15 . 1 1 67 67 LYS C C 67 176.437 176.437 175.837 0.600 25791 5932 1 15 . 1 1 67 67 LYS CA C 67 56.389 56.389 56.392 -0.003 25791 5933 1 15 . 1 1 67 67 LYS CB C 67 33.041 33.041 33.259 -0.218 25791 5934 1 15 . 1 1 67 67 LYS H H 67 8.053 8.053 8.202 -0.149 25791 5935 1 15 . 1 1 68 68 GLN N N 68 121.970 121.970 118.967 3.003 25791 5936 1 15 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.465 -0.126 25791 5937 1 15 . 1 1 68 68 GLN C C 68 175.120 175.120 175.434 -0.314 25791 5938 1 15 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.653 0.347 25791 5939 1 15 . 1 1 68 68 GLN CB C 68 29.498 29.498 29.372 0.126 25791 5940 1 15 . 1 1 68 68 GLN H H 68 8.314 8.314 7.980 0.334 25791 5941 1 16 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.176 0.271 25791 5942 1 16 . 1 1 2 2 GLN C C 2 176.144 176.144 177.431 -1.287 25791 5943 1 16 . 1 1 2 2 GLN CA C 2 56.209 56.209 59.368 -3.159 25791 5944 1 16 . 1 1 2 2 GLN CB C 2 29.459 29.459 28.289 1.170 25791 5945 1 16 . 1 1 3 3 GLN N N 3 122.052 122.052 117.122 4.930 25791 5946 1 16 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.136 0.187 25791 5947 1 16 . 1 1 3 3 GLN C C 3 176.988 176.988 178.380 -1.392 25791 5948 1 16 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.529 -1.126 25791 5949 1 16 . 1 1 3 3 GLN CB C 3 29.239 29.239 27.873 1.366 25791 5950 1 16 . 1 1 3 3 GLN H H 3 8.780 8.780 8.623 0.157 25791 5951 1 16 . 1 1 4 4 LYS N N 4 121.855 121.855 120.690 1.165 25791 5952 1 16 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.033 -0.029 25791 5953 1 16 . 1 1 4 4 LYS C C 4 177.638 177.638 178.730 -1.092 25791 5954 1 16 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.402 0.837 25791 5955 1 16 . 1 1 4 4 LYS CB C 4 32.699 32.699 31.904 0.796 25791 5956 1 16 . 1 1 4 4 LYS H H 4 8.528 8.528 7.595 0.933 25791 5957 1 16 . 1 1 5 5 GLN N N 5 116.397 116.397 118.788 -2.391 25791 5958 1 16 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.842 0.099 25791 5959 1 16 . 1 1 5 5 GLN C C 5 178.761 178.761 178.368 0.393 25791 5960 1 16 . 1 1 5 5 GLN CA C 5 59.349 59.349 59.268 0.081 25791 5961 1 16 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.488 -0.538 25791 5962 1 16 . 1 1 5 5 GLN H H 5 8.223 8.223 8.051 0.172 25791 5963 1 16 . 1 1 6 6 GLN N N 6 119.262 119.262 119.144 0.118 25791 5964 1 16 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.080 0.048 25791 5965 1 16 . 1 1 6 6 GLN C C 6 179.018 179.018 178.154 0.864 25791 5966 1 16 . 1 1 6 6 GLN CA C 6 59.089 59.089 59.208 -0.119 25791 5967 1 16 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.270 0.440 25791 5968 1 16 . 1 1 6 6 GLN H H 6 7.848 7.848 7.754 0.094 25791 5969 1 16 . 1 1 7 7 ILE N N 7 121.296 121.296 121.201 0.095 25791 5970 1 16 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.866 -0.283 25791 5971 1 16 . 1 1 7 7 ILE C C 7 177.833 177.833 178.258 -0.425 25791 5972 1 16 . 1 1 7 7 ILE CA C 7 65.129 65.129 63.375 1.754 25791 5973 1 16 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.129 1.077 25791 5974 1 16 . 1 1 7 7 ILE H H 7 8.095 8.095 7.220 0.875 25791 5975 1 16 . 1 1 8 8 MET N N 8 117.603 117.603 118.858 -1.255 25791 5976 1 16 . 1 1 8 8 MET HA H 8 3.985 3.985 4.016 -0.031 25791 5977 1 16 . 1 1 8 8 MET C C 8 177.355 177.355 178.892 -1.537 25791 5978 1 16 . 1 1 8 8 MET CA C 8 59.932 59.932 59.603 0.329 25791 5979 1 16 . 1 1 8 8 MET CB C 8 32.721 32.721 32.007 0.714 25791 5980 1 16 . 1 1 8 8 MET H H 8 8.672 8.672 8.342 0.330 25791 5981 1 16 . 1 1 9 9 ALA N N 9 118.774 118.774 121.623 -2.849 25791 5982 1 16 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.052 -0.006 25791 5983 1 16 . 1 1 9 9 ALA C C 9 180.546 180.546 179.253 1.293 25791 5984 1 16 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.085 0.300 25791 5985 1 16 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.967 -0.069 25791 5986 1 16 . 1 1 9 9 ALA H H 9 7.795 7.795 8.379 -0.584 25791 5987 1 16 . 1 1 10 10 ALA N N 10 120.854 120.854 121.452 -0.598 25791 5988 1 16 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.105 0.100 25791 5989 1 16 . 1 1 10 10 ALA C C 10 181.200 181.200 179.613 1.587 25791 5990 1 16 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.753 0.259 25791 5991 1 16 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.298 0.963 25791 5992 1 16 . 1 1 10 10 ALA H H 10 7.438 7.438 7.567 -0.129 25791 5993 1 16 . 1 1 11 11 LEU N N 11 120.775 120.775 118.742 2.033 25791 5994 1 16 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.758 -0.010 25791 5995 1 16 . 1 1 11 11 LEU C C 11 179.041 179.041 179.164 -0.123 25791 5996 1 16 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.699 0.647 25791 5997 1 16 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.268 -1.291 25791 5998 1 16 . 1 1 11 11 LEU H H 11 8.757 8.757 8.613 0.144 25791 5999 1 16 . 1 1 12 12 ASN N N 12 116.313 116.313 117.287 -0.974 25791 6000 1 16 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.448 0.116 25791 6001 1 16 . 1 1 12 12 ASN C C 12 178.900 178.900 177.568 1.332 25791 6002 1 16 . 1 1 12 12 ASN CA C 12 54.065 54.065 56.108 -2.043 25791 6003 1 16 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.150 -1.157 25791 6004 1 16 . 1 1 12 12 ASN H H 12 8.850 8.850 8.297 0.553 25791 6005 1 16 . 1 1 13 13 SER N N 13 114.747 114.747 115.655 -0.908 25791 6006 1 16 . 1 1 13 13 SER HA H 13 4.370 4.370 4.143 0.227 25791 6007 1 16 . 1 1 13 13 SER C C 13 176.515 176.515 176.992 -0.477 25791 6008 1 16 . 1 1 13 13 SER CA C 13 61.141 61.141 61.336 -0.195 25791 6009 1 16 . 1 1 13 13 SER CB C 13 63.044 63.044 63.049 -0.005 25791 6010 1 16 . 1 1 13 13 SER H H 13 7.672 7.672 7.698 -0.026 25791 6011 1 16 . 1 1 14 14 GLN N N 14 119.954 119.954 118.213 1.741 25791 6012 1 16 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.205 0.013 25791 6013 1 16 . 1 1 14 14 GLN C C 14 178.208 178.208 177.208 1.000 25791 6014 1 16 . 1 1 14 14 GLN CA C 14 57.749 57.749 57.871 -0.122 25791 6015 1 16 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.860 -0.160 25791 6016 1 16 . 1 1 14 14 GLN H H 14 7.573 7.573 7.773 -0.200 25791 6017 1 16 . 1 1 15 15 THR N N 15 107.493 107.493 107.928 -0.435 25791 6018 1 16 . 1 1 15 15 THR HA H 15 3.899 3.899 4.371 -0.472 25791 6019 1 16 . 1 1 15 15 THR C C 15 174.683 174.683 174.452 0.231 25791 6020 1 16 . 1 1 15 15 THR CA C 15 61.551 61.551 60.196 1.355 25791 6021 1 16 . 1 1 15 15 THR CB C 15 69.226 69.226 69.081 0.145 25791 6022 1 16 . 1 1 15 15 THR H H 15 7.741 7.741 7.420 0.321 25791 6023 1 16 . 1 1 16 16 ALA N N 16 124.034 124.034 126.217 -2.183 25791 6024 1 16 . 1 1 16 16 ALA HA H 16 4.135 4.135 3.981 0.154 25791 6025 1 16 . 1 1 16 16 ALA C C 16 179.899 179.899 178.344 1.555 25791 6026 1 16 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.718 0.489 25791 6027 1 16 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.101 0.623 25791 6028 1 16 . 1 1 16 16 ALA H H 16 6.873 6.873 7.252 -0.379 25791 6029 1 16 . 1 1 17 17 VAL N N 17 117.150 117.150 117.870 -0.720 25791 6030 1 16 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.769 -0.055 25791 6031 1 16 . 1 1 17 17 VAL C C 17 178.537 178.537 177.424 1.113 25791 6032 1 16 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.193 1.315 25791 6033 1 16 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.284 0.409 25791 6034 1 16 . 1 1 17 17 VAL H H 17 8.162 8.162 8.421 -0.259 25791 6035 1 16 . 1 1 18 18 GLN N N 18 119.489 119.489 119.692 -0.203 25791 6036 1 16 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.029 0.028 25791 6037 1 16 . 1 1 18 18 GLN C C 18 180.429 180.429 178.955 1.474 25791 6038 1 16 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.351 0.348 25791 6039 1 16 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.450 0.736 25791 6040 1 16 . 1 1 18 18 GLN H H 18 8.451 8.451 8.007 0.444 25791 6041 1 16 . 1 1 19 19 PHE N N 19 117.940 117.940 118.663 -0.723 25791 6042 1 16 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.474 0.356 25791 6043 1 16 . 1 1 19 19 PHE C C 19 177.858 177.858 178.351 -0.493 25791 6044 1 16 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.483 -1.454 25791 6045 1 16 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.140 -2.235 25791 6046 1 16 . 1 1 19 19 PHE H H 19 8.924 8.924 8.658 0.266 25791 6047 1 16 . 1 1 20 20 GLN N N 20 120.297 120.297 119.591 0.706 25791 6048 1 16 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.998 0.108 25791 6049 1 16 . 1 1 20 20 GLN C C 20 178.986 178.986 178.704 0.282 25791 6050 1 16 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.615 -0.053 25791 6051 1 16 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.622 -0.727 25791 6052 1 16 . 1 1 20 20 GLN H H 20 8.264 8.264 8.157 0.107 25791 6053 1 16 . 1 1 21 21 GLN N N 21 118.595 118.595 118.947 -0.352 25791 6054 1 16 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.119 -0.037 25791 6055 1 16 . 1 1 21 21 GLN C C 21 178.806 178.806 178.535 0.271 25791 6056 1 16 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.584 0.586 25791 6057 1 16 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.512 -0.316 25791 6058 1 16 . 1 1 21 21 GLN H H 21 8.527 8.527 8.467 0.060 25791 6059 1 16 . 1 1 22 22 TYR N N 22 119.594 119.594 121.904 -2.310 25791 6060 1 16 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.450 -0.203 25791 6061 1 16 . 1 1 22 22 TYR C C 22 177.789 177.789 177.392 0.397 25791 6062 1 16 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.142 1.570 25791 6063 1 16 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.293 0.431 25791 6064 1 16 . 1 1 22 22 TYR H H 22 7.843 7.843 8.114 -0.271 25791 6065 1 16 . 1 1 23 23 ALA N N 23 120.663 120.663 120.944 -0.281 25791 6066 1 16 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.779 0.078 25791 6067 1 16 . 1 1 23 23 ALA C C 23 179.319 179.319 178.823 0.496 25791 6068 1 16 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.826 0.763 25791 6069 1 16 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.212 0.270 25791 6070 1 16 . 1 1 23 23 ALA H H 23 8.612 8.612 8.558 0.054 25791 6071 1 16 . 1 1 24 24 ALA N N 24 119.002 119.002 121.365 -2.363 25791 6072 1 16 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.135 -0.197 25791 6073 1 16 . 1 1 24 24 ALA C C 24 178.987 178.987 179.031 -0.044 25791 6074 1 16 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.359 -0.042 25791 6075 1 16 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.862 -0.971 25791 6076 1 16 . 1 1 24 24 ALA H H 24 8.168 8.168 8.128 0.040 25791 6077 1 16 . 1 1 25 25 GLN N N 25 115.599 115.599 116.383 -0.784 25791 6078 1 16 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.062 -0.058 25791 6079 1 16 . 1 1 25 25 GLN C C 25 177.818 177.818 177.900 -0.082 25791 6080 1 16 . 1 1 25 25 GLN CA C 25 57.454 57.454 57.956 -0.502 25791 6081 1 16 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.719 -0.264 25791 6082 1 16 . 1 1 25 25 GLN H H 25 7.300 7.300 7.919 -0.619 25791 6083 1 16 . 1 1 26 26 GLN N N 26 116.989 116.989 117.228 -0.239 25791 6084 1 16 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.951 -0.247 25791 6085 1 16 . 1 1 26 26 GLN C C 26 175.979 175.979 175.715 0.264 25791 6086 1 16 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.633 0.155 25791 6087 1 16 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.841 -0.761 25791 6088 1 16 . 1 1 26 26 GLN H H 26 7.401 7.401 7.398 0.003 25791 6089 1 16 . 1 1 27 27 TYR N N 27 114.712 114.712 118.261 -3.549 25791 6090 1 16 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.886 0.192 25791 6091 1 16 . 1 1 27 27 TYR C C 27 172.931 172.931 173.698 -0.767 25791 6092 1 16 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.679 0.488 25791 6093 1 16 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.452 1.208 25791 6094 1 16 . 1 1 27 27 TYR H H 27 7.675 7.675 8.036 -0.361 25791 6095 1 16 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.388 -0.026 25791 6096 1 16 . 1 1 28 28 PRO C C 28 179.333 179.333 177.954 1.379 25791 6097 1 16 . 1 1 28 28 PRO CA C 28 64.394 64.394 64.116 0.278 25791 6098 1 16 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.319 -1.065 25791 6099 1 16 . 1 1 29 29 GLY N N 29 110.091 110.091 112.597 -2.506 25791 6100 1 16 . 1 1 29 29 GLY C C 29 173.218 173.218 174.630 -1.412 25791 6101 1 16 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.220 0.692 25791 6102 1 16 . 1 1 29 29 GLY H H 29 8.826 8.826 8.727 0.099 25791 6103 1 16 . 1 1 30 30 ASN N N 30 118.603 118.603 121.608 -3.005 25791 6104 1 16 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.892 0.107 25791 6105 1 16 . 1 1 30 30 ASN C C 30 173.977 173.977 175.364 -1.387 25791 6106 1 16 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.217 -0.032 25791 6107 1 16 . 1 1 30 30 ASN CB C 30 38.426 38.426 38.159 0.267 25791 6108 1 16 . 1 1 30 30 ASN H H 30 7.293 7.293 7.669 -0.376 25791 6109 1 16 . 1 1 31 31 TYR N N 31 125.240 125.240 128.342 -3.102 25791 6110 1 16 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.110 -0.212 25791 6111 1 16 . 1 1 31 31 TYR C C 31 177.343 177.343 176.872 0.471 25791 6112 1 16 . 1 1 31 31 TYR CA C 31 61.811 61.811 61.958 -0.146 25791 6113 1 16 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.628 -0.271 25791 6114 1 16 . 1 1 31 31 TYR H H 31 8.509 8.509 8.281 0.228 25791 6115 1 16 . 1 1 32 32 GLU N N 32 118.993 118.993 118.608 0.385 25791 6116 1 16 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.792 0.108 25791 6117 1 16 . 1 1 32 32 GLU C C 32 179.549 179.549 178.892 0.657 25791 6118 1 16 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.625 0.487 25791 6119 1 16 . 1 1 32 32 GLU CB C 32 29.168 29.168 29.256 -0.088 25791 6120 1 16 . 1 1 32 32 GLU H H 32 8.714 8.714 8.242 0.472 25791 6121 1 16 . 1 1 33 33 GLN N N 33 117.037 117.037 118.321 -1.284 25791 6122 1 16 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.762 -0.029 25791 6123 1 16 . 1 1 33 33 GLN C C 33 179.119 179.119 178.586 0.533 25791 6124 1 16 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.109 -0.407 25791 6125 1 16 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.967 -0.341 25791 6126 1 16 . 1 1 33 33 GLN H H 33 7.536 7.536 8.298 -0.762 25791 6127 1 16 . 1 1 34 34 GLN N N 34 117.723 117.723 119.569 -1.846 25791 6128 1 16 . 1 1 34 34 GLN HA H 34 3.811 3.811 3.978 -0.167 25791 6129 1 16 . 1 1 34 34 GLN C C 34 177.634 177.634 178.469 -0.835 25791 6130 1 16 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.331 0.834 25791 6131 1 16 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.521 -1.020 25791 6132 1 16 . 1 1 34 34 GLN H H 34 7.968 7.968 8.233 -0.265 25791 6133 1 16 . 1 1 35 35 GLN N N 35 115.293 115.293 118.913 -3.620 25791 6134 1 16 . 1 1 35 35 GLN HA H 35 3.791 3.791 3.922 -0.131 25791 6135 1 16 . 1 1 35 35 GLN C C 35 178.757 178.757 178.570 0.187 25791 6136 1 16 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.440 0.170 25791 6137 1 16 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.174 0.031 25791 6138 1 16 . 1 1 35 35 GLN H H 35 7.870 7.870 7.905 -0.035 25791 6139 1 16 . 1 1 36 36 ILE N N 36 120.769 120.769 120.338 0.431 25791 6140 1 16 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.612 -0.048 25791 6141 1 16 . 1 1 36 36 ILE C C 36 178.273 178.273 178.163 0.110 25791 6142 1 16 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.134 0.102 25791 6143 1 16 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.601 0.772 25791 6144 1 16 . 1 1 36 36 ILE H H 36 7.503 7.503 8.070 -0.567 25791 6145 1 16 . 1 1 37 37 LEU N N 37 121.056 121.056 121.284 -0.228 25791 6146 1 16 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.022 0.287 25791 6147 1 16 . 1 1 37 37 LEU C C 37 178.348 178.348 178.176 0.172 25791 6148 1 16 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.757 -0.023 25791 6149 1 16 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.680 -0.164 25791 6150 1 16 . 1 1 37 37 LEU H H 37 7.678 7.678 7.639 0.039 25791 6151 1 16 . 1 1 38 38 ILE N N 38 119.334 119.334 119.691 -0.357 25791 6152 1 16 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.383 -0.042 25791 6153 1 16 . 1 1 38 38 ILE C C 38 177.371 177.371 177.913 -0.542 25791 6154 1 16 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.608 1.477 25791 6155 1 16 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.491 0.858 25791 6156 1 16 . 1 1 38 38 ILE H H 38 8.702 8.702 8.299 0.403 25791 6157 1 16 . 1 1 39 39 ARG N N 39 117.798 117.798 119.654 -1.856 25791 6158 1 16 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.227 -0.012 25791 6159 1 16 . 1 1 39 39 ARG C C 39 179.555 179.555 179.112 0.443 25791 6160 1 16 . 1 1 39 39 ARG CA C 39 59.459 59.459 60.196 -0.737 25791 6161 1 16 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.935 -0.183 25791 6162 1 16 . 1 1 39 39 ARG H H 39 7.739 7.739 8.323 -0.584 25791 6163 1 16 . 1 1 40 40 GLN N N 40 119.432 119.432 118.723 0.709 25791 6164 1 16 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.038 0.099 25791 6165 1 16 . 1 1 40 40 GLN C C 40 179.522 179.522 178.553 0.969 25791 6166 1 16 . 1 1 40 40 GLN CA C 40 59.260 59.260 59.072 0.188 25791 6167 1 16 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.438 -0.080 25791 6168 1 16 . 1 1 40 40 GLN H H 40 7.811 7.811 7.704 0.107 25791 6169 1 16 . 1 1 41 41 LEU N N 41 121.592 121.592 120.025 1.567 25791 6170 1 16 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.704 -0.017 25791 6171 1 16 . 1 1 41 41 LEU C C 41 178.974 178.974 179.011 -0.037 25791 6172 1 16 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.563 0.400 25791 6173 1 16 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.712 -0.860 25791 6174 1 16 . 1 1 41 41 LEU H H 41 8.648 8.648 7.844 0.804 25791 6175 1 16 . 1 1 42 42 GLN N N 42 119.054 119.054 118.699 0.355 25791 6176 1 16 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.231 0.313 25791 6177 1 16 . 1 1 42 42 GLN C C 42 180.176 180.176 178.706 1.470 25791 6178 1 16 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.598 -0.364 25791 6179 1 16 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.742 -0.822 25791 6180 1 16 . 1 1 42 42 GLN H H 42 8.641 8.641 8.581 0.060 25791 6181 1 16 . 1 1 43 43 GLU N N 43 121.517 121.517 120.903 0.614 25791 6182 1 16 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.044 0.192 25791 6183 1 16 . 1 1 43 43 GLU C C 43 179.721 179.721 179.041 0.680 25791 6184 1 16 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.684 -0.017 25791 6185 1 16 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.544 -0.287 25791 6186 1 16 . 1 1 43 43 GLU H H 43 8.111 8.111 8.077 0.034 25791 6187 1 16 . 1 1 44 44 GLN N N 44 119.240 119.240 118.076 1.164 25791 6188 1 16 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.029 0.087 25791 6189 1 16 . 1 1 44 44 GLN C C 44 179.012 179.012 178.384 0.628 25791 6190 1 16 . 1 1 44 44 GLN CA C 44 59.149 59.149 59.105 0.044 25791 6191 1 16 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.774 0.080 25791 6192 1 16 . 1 1 44 44 GLN H H 44 8.372 8.372 8.327 0.045 25791 6193 1 16 . 1 1 45 45 HIS N N 45 121.705 121.705 120.735 0.970 25791 6194 1 16 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.292 -0.012 25791 6195 1 16 . 1 1 45 45 HIS C C 45 176.395 176.395 177.385 -0.990 25791 6196 1 16 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.081 1.278 25791 6197 1 16 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.580 1.745 25791 6198 1 16 . 1 1 45 45 HIS H H 45 9.472 9.472 8.376 1.096 25791 6199 1 16 . 1 1 46 46 TYR N N 46 119.039 119.039 120.365 -1.326 25791 6200 1 16 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.085 -0.236 25791 6201 1 16 . 1 1 46 46 TYR C C 46 176.664 176.664 177.972 -1.308 25791 6202 1 16 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.852 0.399 25791 6203 1 16 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.353 -0.681 25791 6204 1 16 . 1 1 46 46 TYR H H 46 8.253 8.253 8.448 -0.195 25791 6205 1 16 . 1 1 47 47 GLN N N 47 116.407 116.407 117.965 -1.558 25791 6206 1 16 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.677 0.107 25791 6207 1 16 . 1 1 47 47 GLN C C 47 179.048 179.048 178.316 0.732 25791 6208 1 16 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.178 -0.229 25791 6209 1 16 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.508 -0.327 25791 6210 1 16 . 1 1 47 47 GLN H H 47 7.814 7.814 8.420 -0.606 25791 6211 1 16 . 1 1 48 48 GLN N N 48 119.803 119.803 119.691 0.112 25791 6212 1 16 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.055 -0.078 25791 6213 1 16 . 1 1 48 48 GLN C C 48 177.741 177.741 178.197 -0.456 25791 6214 1 16 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.491 -0.177 25791 6215 1 16 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.367 -0.039 25791 6216 1 16 . 1 1 48 48 GLN H H 48 8.645 8.645 8.460 0.185 25791 6217 1 16 . 1 1 49 49 TYR N N 49 121.342 121.342 121.456 -0.114 25791 6218 1 16 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.224 -0.584 25791 6219 1 16 . 1 1 49 49 TYR C C 49 176.021 176.021 177.440 -1.419 25791 6220 1 16 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.190 0.919 25791 6221 1 16 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.172 0.736 25791 6222 1 16 . 1 1 49 49 TYR H H 49 9.105 9.105 8.614 0.491 25791 6223 1 16 . 1 1 50 50 MET N N 50 115.522 115.522 118.454 -2.932 25791 6224 1 16 . 1 1 50 50 MET HA H 50 4.040 4.040 3.646 0.394 25791 6225 1 16 . 1 1 50 50 MET C C 50 179.841 179.841 178.319 1.522 25791 6226 1 16 . 1 1 50 50 MET CA C 50 56.623 56.623 58.529 -1.906 25791 6227 1 16 . 1 1 50 50 MET CB C 50 30.099 30.099 32.124 -2.025 25791 6228 1 16 . 1 1 50 50 MET H H 50 8.060 8.060 8.278 -0.218 25791 6229 1 16 . 1 1 51 51 GLN N N 51 118.942 118.942 117.924 1.018 25791 6230 1 16 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.886 0.179 25791 6231 1 16 . 1 1 51 51 GLN C C 51 178.707 178.707 178.534 0.173 25791 6232 1 16 . 1 1 51 51 GLN CA C 51 58.941 58.941 58.949 -0.008 25791 6233 1 16 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.085 0.404 25791 6234 1 16 . 1 1 51 51 GLN H H 51 7.830 7.830 7.917 -0.087 25791 6235 1 16 . 1 1 52 52 GLN N N 52 119.210 119.210 119.996 -0.786 25791 6236 1 16 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.242 -0.185 25791 6237 1 16 . 1 1 52 52 GLN C C 52 178.738 178.738 178.766 -0.028 25791 6238 1 16 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.532 0.217 25791 6239 1 16 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.819 -0.416 25791 6240 1 16 . 1 1 52 52 GLN H H 52 8.187 8.187 8.183 0.004 25791 6241 1 16 . 1 1 53 53 LEU N N 53 121.233 121.233 120.985 0.248 25791 6242 1 16 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.865 -0.024 25791 6243 1 16 . 1 1 53 53 LEU C C 53 179.191 179.191 177.907 1.284 25791 6244 1 16 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.577 0.168 25791 6245 1 16 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.228 0.638 25791 6246 1 16 . 1 1 53 53 LEU H H 53 8.441 8.441 8.233 0.208 25791 6247 1 16 . 1 1 54 54 TYR N N 54 118.505 118.505 119.307 -0.802 25791 6248 1 16 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.881 0.437 25791 6249 1 16 . 1 1 54 54 TYR C C 54 177.535 177.535 177.620 -0.085 25791 6250 1 16 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.159 -1.682 25791 6251 1 16 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.243 -0.457 25791 6252 1 16 . 1 1 54 54 TYR H H 54 7.819 7.819 7.929 -0.110 25791 6253 1 16 . 1 1 55 55 GLN N N 55 117.299 117.299 117.929 -0.630 25791 6254 1 16 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.022 -0.123 25791 6255 1 16 . 1 1 55 55 GLN C C 55 179.041 179.041 178.430 0.611 25791 6256 1 16 . 1 1 55 55 GLN CA C 55 58.709 58.709 59.176 -0.467 25791 6257 1 16 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.715 -0.500 25791 6258 1 16 . 1 1 55 55 GLN H H 55 7.735 7.735 7.728 0.007 25791 6259 1 16 . 1 1 56 56 VAL N N 56 120.879 120.879 120.052 0.827 25791 6260 1 16 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.635 0.157 25791 6261 1 16 . 1 1 56 56 VAL C C 56 178.262 178.262 177.819 0.443 25791 6262 1 16 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.537 -0.595 25791 6263 1 16 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.559 0.320 25791 6264 1 16 . 1 1 56 56 VAL H H 56 8.014 8.014 7.638 0.376 25791 6265 1 16 . 1 1 57 57 GLN N N 57 120.513 120.513 120.134 0.379 25791 6266 1 16 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.966 0.094 25791 6267 1 16 . 1 1 57 57 GLN C C 57 178.772 178.772 178.318 0.454 25791 6268 1 16 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.369 0.247 25791 6269 1 16 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.752 0.233 25791 6270 1 16 . 1 1 57 57 GLN H H 57 8.103 8.103 8.418 -0.315 25791 6271 1 16 . 1 1 58 58 LEU N N 58 121.244 121.244 121.430 -0.186 25791 6272 1 16 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.934 0.071 25791 6273 1 16 . 1 1 58 58 LEU C C 58 179.134 179.134 178.248 0.886 25791 6274 1 16 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.263 0.243 25791 6275 1 16 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.223 0.580 25791 6276 1 16 . 1 1 58 58 LEU H H 58 8.176 8.176 7.914 0.262 25791 6277 1 16 . 1 1 59 59 ALA N N 59 121.608 121.608 121.558 0.050 25791 6278 1 16 . 1 1 59 59 ALA HA H 59 4.165 4.165 4.024 0.141 25791 6279 1 16 . 1 1 59 59 ALA C C 59 180.497 180.497 179.896 0.601 25791 6280 1 16 . 1 1 59 59 ALA CA C 59 54.582 54.582 54.949 -0.367 25791 6281 1 16 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.284 -0.231 25791 6282 1 16 . 1 1 59 59 ALA H H 59 7.833 7.833 8.025 -0.192 25791 6283 1 16 . 1 1 60 60 GLN N N 60 118.335 118.335 117.464 0.871 25791 6284 1 16 . 1 1 60 60 GLN HA H 60 4.148 4.148 4.032 0.116 25791 6285 1 16 . 1 1 60 60 GLN C C 60 178.334 178.334 178.680 -0.346 25791 6286 1 16 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.187 -0.210 25791 6287 1 16 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.313 0.122 25791 6288 1 16 . 1 1 60 60 GLN H H 60 8.081 8.081 7.834 0.247 25791 6289 1 16 . 1 1 61 61 GLN N N 61 120.206 120.206 120.333 -0.127 25791 6290 1 16 . 1 1 61 61 GLN HA H 61 4.162 4.162 4.016 0.146 25791 6291 1 16 . 1 1 61 61 GLN C C 61 178.002 178.002 178.492 -0.490 25791 6292 1 16 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.348 -0.443 25791 6293 1 16 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.278 0.301 25791 6294 1 16 . 1 1 61 61 GLN H H 61 8.111 8.111 8.142 -0.031 25791 6295 1 16 . 1 1 62 62 GLN N N 62 118.980 118.980 119.080 -0.100 25791 6296 1 16 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.012 0.117 25791 6297 1 16 . 1 1 62 62 GLN C C 62 177.624 177.624 178.217 -0.593 25791 6298 1 16 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.633 -0.997 25791 6299 1 16 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.720 -0.084 25791 6300 1 16 . 1 1 62 62 GLN H H 62 8.203 8.203 8.602 -0.399 25791 6301 1 16 . 1 1 63 63 ALA N N 63 122.712 122.712 121.778 0.934 25791 6302 1 16 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.150 0.056 25791 6303 1 16 . 1 1 63 63 ALA C C 63 178.922 178.922 178.705 0.217 25791 6304 1 16 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.236 -0.340 25791 6305 1 16 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.390 0.069 25791 6306 1 16 . 1 1 63 63 ALA H H 63 8.004 8.004 7.669 0.335 25791 6307 1 16 . 1 1 64 64 ALA N N 64 120.813 120.813 120.571 0.242 25791 6308 1 16 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.170 0.062 25791 6309 1 16 . 1 1 64 64 ALA C C 64 178.732 178.732 178.411 0.321 25791 6310 1 16 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.137 -0.621 25791 6311 1 16 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.219 -0.589 25791 6312 1 16 . 1 1 64 64 ALA H H 64 7.837 7.837 7.714 0.123 25791 6313 1 16 . 1 1 65 65 LEU N N 65 119.196 119.196 118.444 0.752 25791 6314 1 16 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.327 -0.070 25791 6315 1 16 . 1 1 65 65 LEU C C 65 178.038 178.038 177.490 0.548 25791 6316 1 16 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.121 -0.299 25791 6317 1 16 . 1 1 65 65 LEU CB C 65 42.264 42.264 41.970 0.294 25791 6318 1 16 . 1 1 65 65 LEU H H 65 7.765 7.765 7.219 0.546 25791 6319 1 16 . 1 1 66 66 GLN N N 66 119.365 119.365 114.633 4.732 25791 6320 1 16 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.956 0.319 25791 6321 1 16 . 1 1 66 66 GLN C C 66 176.120 176.120 175.491 0.629 25791 6322 1 16 . 1 1 66 66 GLN CA C 66 56.067 56.067 56.969 -0.902 25791 6323 1 16 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.233 2.899 25791 6324 1 16 . 1 1 66 66 GLN H H 66 7.967 7.967 8.367 -0.400 25791 6325 1 16 . 1 1 67 67 LYS N N 67 121.521 121.521 119.482 2.039 25791 6326 1 16 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.526 -0.217 25791 6327 1 16 . 1 1 67 67 LYS C C 67 176.437 176.437 176.098 0.339 25791 6328 1 16 . 1 1 67 67 LYS CA C 67 56.389 56.389 55.215 1.174 25791 6329 1 16 . 1 1 67 67 LYS CB C 67 33.041 33.041 31.647 1.394 25791 6330 1 16 . 1 1 67 67 LYS H H 67 8.053 8.053 8.223 -0.170 25791 6331 1 16 . 1 1 68 68 GLN N N 68 121.970 121.970 122.301 -0.331 25791 6332 1 16 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.302 0.037 25791 6333 1 16 . 1 1 68 68 GLN C C 68 175.120 175.120 175.853 -0.733 25791 6334 1 16 . 1 1 68 68 GLN CA C 68 56.000 56.000 56.030 -0.030 25791 6335 1 16 . 1 1 68 68 GLN CB C 68 29.498 29.498 27.927 1.571 25791 6336 1 16 . 1 1 68 68 GLN H H 68 8.314 8.314 8.506 -0.192 25791 6337 1 17 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.212 0.235 25791 6338 1 17 . 1 1 2 2 GLN C C 2 176.144 176.144 177.603 -1.459 25791 6339 1 17 . 1 1 2 2 GLN CA C 2 56.209 56.209 58.486 -2.277 25791 6340 1 17 . 1 1 2 2 GLN CB C 2 29.459 29.459 28.478 0.981 25791 6341 1 17 . 1 1 3 3 GLN N N 3 122.052 122.052 117.604 4.448 25791 6342 1 17 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.104 0.219 25791 6343 1 17 . 1 1 3 3 GLN C C 3 176.988 176.988 177.721 -0.733 25791 6344 1 17 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.331 -0.928 25791 6345 1 17 . 1 1 3 3 GLN CB C 3 29.239 29.239 27.981 1.258 25791 6346 1 17 . 1 1 3 3 GLN H H 3 8.780 8.780 8.745 0.035 25791 6347 1 17 . 1 1 4 4 LYS N N 4 121.855 121.855 120.613 1.242 25791 6348 1 17 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.218 -0.214 25791 6349 1 17 . 1 1 4 4 LYS C C 4 177.638 177.638 178.507 -0.869 25791 6350 1 17 . 1 1 4 4 LYS CA C 4 60.239 60.239 58.615 1.624 25791 6351 1 17 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.310 0.389 25791 6352 1 17 . 1 1 4 4 LYS H H 4 8.528 8.528 7.481 1.047 25791 6353 1 17 . 1 1 5 5 GLN N N 5 116.397 116.397 119.062 -2.665 25791 6354 1 17 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.877 0.064 25791 6355 1 17 . 1 1 5 5 GLN C C 5 178.761 178.761 178.567 0.194 25791 6356 1 17 . 1 1 5 5 GLN CA C 5 59.349 59.349 59.091 0.258 25791 6357 1 17 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.630 -0.680 25791 6358 1 17 . 1 1 5 5 GLN H H 5 8.223 8.223 7.618 0.605 25791 6359 1 17 . 1 1 6 6 GLN N N 6 119.262 119.262 118.872 0.390 25791 6360 1 17 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.099 0.029 25791 6361 1 17 . 1 1 6 6 GLN C C 6 179.018 179.018 178.252 0.766 25791 6362 1 17 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.992 0.097 25791 6363 1 17 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.150 0.560 25791 6364 1 17 . 1 1 6 6 GLN H H 6 7.848 7.848 7.906 -0.058 25791 6365 1 17 . 1 1 7 7 ILE N N 7 121.296 121.296 121.561 -0.265 25791 6366 1 17 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.841 -0.258 25791 6367 1 17 . 1 1 7 7 ILE C C 7 177.833 177.833 178.203 -0.370 25791 6368 1 17 . 1 1 7 7 ILE CA C 7 65.129 65.129 63.323 1.806 25791 6369 1 17 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.114 1.092 25791 6370 1 17 . 1 1 7 7 ILE H H 7 8.095 8.095 7.248 0.847 25791 6371 1 17 . 1 1 8 8 MET N N 8 117.603 117.603 118.639 -1.036 25791 6372 1 17 . 1 1 8 8 MET HA H 8 3.985 3.985 4.048 -0.063 25791 6373 1 17 . 1 1 8 8 MET C C 8 177.355 177.355 178.915 -1.560 25791 6374 1 17 . 1 1 8 8 MET CA C 8 59.932 59.932 59.576 0.356 25791 6375 1 17 . 1 1 8 8 MET CB C 8 32.721 32.721 31.965 0.756 25791 6376 1 17 . 1 1 8 8 MET H H 8 8.672 8.672 8.188 0.484 25791 6377 1 17 . 1 1 9 9 ALA N N 9 118.774 118.774 121.751 -2.977 25791 6378 1 17 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.075 -0.029 25791 6379 1 17 . 1 1 9 9 ALA C C 9 180.546 180.546 179.266 1.280 25791 6380 1 17 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.035 0.350 25791 6381 1 17 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.954 -0.056 25791 6382 1 17 . 1 1 9 9 ALA H H 9 7.795 7.795 8.194 -0.399 25791 6383 1 17 . 1 1 10 10 ALA N N 10 120.854 120.854 121.714 -0.860 25791 6384 1 17 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.096 0.109 25791 6385 1 17 . 1 1 10 10 ALA C C 10 181.200 181.200 179.549 1.651 25791 6386 1 17 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.836 0.176 25791 6387 1 17 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.265 0.996 25791 6388 1 17 . 1 1 10 10 ALA H H 10 7.438 7.438 7.763 -0.325 25791 6389 1 17 . 1 1 11 11 LEU N N 11 120.775 120.775 118.736 2.039 25791 6390 1 17 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.733 0.015 25791 6391 1 17 . 1 1 11 11 LEU C C 11 179.041 179.041 179.220 -0.179 25791 6392 1 17 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.921 0.425 25791 6393 1 17 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.061 -1.084 25791 6394 1 17 . 1 1 11 11 LEU H H 11 8.757 8.757 8.691 0.066 25791 6395 1 17 . 1 1 12 12 ASN N N 12 116.313 116.313 118.071 -1.758 25791 6396 1 17 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.455 0.109 25791 6397 1 17 . 1 1 12 12 ASN C C 12 178.900 178.900 177.514 1.386 25791 6398 1 17 . 1 1 12 12 ASN CA C 12 54.065 54.065 56.653 -2.587 25791 6399 1 17 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.397 -1.404 25791 6400 1 17 . 1 1 12 12 ASN H H 12 8.850 8.850 8.202 0.648 25791 6401 1 17 . 1 1 13 13 SER N N 13 114.747 114.747 115.635 -0.888 25791 6402 1 17 . 1 1 13 13 SER HA H 13 4.370 4.370 4.151 0.219 25791 6403 1 17 . 1 1 13 13 SER C C 13 176.515 176.515 177.144 -0.629 25791 6404 1 17 . 1 1 13 13 SER CA C 13 61.141 61.141 61.342 -0.201 25791 6405 1 17 . 1 1 13 13 SER CB C 13 63.044 63.044 63.110 -0.066 25791 6406 1 17 . 1 1 13 13 SER H H 13 7.672 7.672 7.839 -0.167 25791 6407 1 17 . 1 1 14 14 GLN N N 14 119.954 119.954 118.120 1.834 25791 6408 1 17 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.197 0.021 25791 6409 1 17 . 1 1 14 14 GLN C C 14 178.208 178.208 177.084 1.124 25791 6410 1 17 . 1 1 14 14 GLN CA C 14 57.749 57.749 57.941 -0.193 25791 6411 1 17 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.837 -0.137 25791 6412 1 17 . 1 1 14 14 GLN H H 14 7.573 7.573 7.885 -0.312 25791 6413 1 17 . 1 1 15 15 THR N N 15 107.493 107.493 107.307 0.186 25791 6414 1 17 . 1 1 15 15 THR HA H 15 3.899 3.899 4.403 -0.504 25791 6415 1 17 . 1 1 15 15 THR C C 15 174.683 174.683 174.441 0.242 25791 6416 1 17 . 1 1 15 15 THR CA C 15 61.551 61.551 60.342 1.210 25791 6417 1 17 . 1 1 15 15 THR CB C 15 69.226 69.226 69.319 -0.093 25791 6418 1 17 . 1 1 15 15 THR H H 15 7.741 7.741 7.375 0.366 25791 6419 1 17 . 1 1 16 16 ALA N N 16 124.034 124.034 126.141 -2.107 25791 6420 1 17 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.018 0.117 25791 6421 1 17 . 1 1 16 16 ALA C C 16 179.899 179.899 178.418 1.481 25791 6422 1 17 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.598 0.609 25791 6423 1 17 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.196 0.528 25791 6424 1 17 . 1 1 16 16 ALA H H 16 6.873 6.873 7.296 -0.423 25791 6425 1 17 . 1 1 17 17 VAL N N 17 117.150 117.150 117.708 -0.558 25791 6426 1 17 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.727 -0.013 25791 6427 1 17 . 1 1 17 17 VAL C C 17 178.537 178.537 177.316 1.221 25791 6428 1 17 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.127 1.381 25791 6429 1 17 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.767 -0.074 25791 6430 1 17 . 1 1 17 17 VAL H H 17 8.162 8.162 8.438 -0.276 25791 6431 1 17 . 1 1 18 18 GLN N N 18 119.489 119.489 119.719 -0.230 25791 6432 1 17 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.014 0.043 25791 6433 1 17 . 1 1 18 18 GLN C C 18 180.429 180.429 178.784 1.645 25791 6434 1 17 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.391 0.309 25791 6435 1 17 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.402 0.784 25791 6436 1 17 . 1 1 18 18 GLN H H 18 8.451 8.451 7.860 0.591 25791 6437 1 17 . 1 1 19 19 PHE N N 19 117.940 117.940 118.832 -0.892 25791 6438 1 17 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.465 0.365 25791 6439 1 17 . 1 1 19 19 PHE C C 19 177.858 177.858 178.328 -0.470 25791 6440 1 17 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.688 -1.659 25791 6441 1 17 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.186 -2.281 25791 6442 1 17 . 1 1 19 19 PHE H H 19 8.924 8.924 8.693 0.231 25791 6443 1 17 . 1 1 20 20 GLN N N 20 120.297 120.297 119.529 0.768 25791 6444 1 17 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.982 0.124 25791 6445 1 17 . 1 1 20 20 GLN C C 20 178.986 178.986 178.642 0.344 25791 6446 1 17 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.737 -0.174 25791 6447 1 17 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.550 -0.655 25791 6448 1 17 . 1 1 20 20 GLN H H 20 8.264 8.264 8.337 -0.073 25791 6449 1 17 . 1 1 21 21 GLN N N 21 118.595 118.595 119.384 -0.789 25791 6450 1 17 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.047 0.035 25791 6451 1 17 . 1 1 21 21 GLN C C 21 178.806 178.806 178.626 0.180 25791 6452 1 17 . 1 1 21 21 GLN CA C 21 59.170 59.170 59.091 0.079 25791 6453 1 17 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.835 -0.640 25791 6454 1 17 . 1 1 21 21 GLN H H 21 8.527 8.527 8.381 0.146 25791 6455 1 17 . 1 1 22 22 TYR N N 22 119.594 119.594 121.309 -1.715 25791 6456 1 17 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.263 -0.016 25791 6457 1 17 . 1 1 22 22 TYR C C 22 177.789 177.789 177.298 0.491 25791 6458 1 17 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.085 1.627 25791 6459 1 17 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.360 0.364 25791 6460 1 17 . 1 1 22 22 TYR H H 22 7.843 7.843 8.043 -0.200 25791 6461 1 17 . 1 1 23 23 ALA N N 23 120.663 120.663 121.304 -0.641 25791 6462 1 17 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.731 0.126 25791 6463 1 17 . 1 1 23 23 ALA C C 23 179.319 179.319 178.778 0.541 25791 6464 1 17 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.905 0.684 25791 6465 1 17 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.189 0.293 25791 6466 1 17 . 1 1 23 23 ALA H H 23 8.612 8.612 8.636 -0.024 25791 6467 1 17 . 1 1 24 24 ALA N N 24 119.002 119.002 120.938 -1.936 25791 6468 1 17 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.089 -0.151 25791 6469 1 17 . 1 1 24 24 ALA C C 24 178.987 178.987 178.772 0.215 25791 6470 1 17 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.240 0.077 25791 6471 1 17 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.453 -0.562 25791 6472 1 17 . 1 1 24 24 ALA H H 24 8.168 8.168 8.135 0.033 25791 6473 1 17 . 1 1 25 25 GLN N N 25 115.599 115.599 116.749 -1.150 25791 6474 1 17 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.041 -0.037 25791 6475 1 17 . 1 1 25 25 GLN C C 25 177.818 177.818 178.310 -0.492 25791 6476 1 17 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.151 -0.697 25791 6477 1 17 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.978 -0.523 25791 6478 1 17 . 1 1 25 25 GLN H H 25 7.300 7.300 7.639 -0.339 25791 6479 1 17 . 1 1 26 26 GLN N N 26 116.989 116.989 116.620 0.369 25791 6480 1 17 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.831 -0.127 25791 6481 1 17 . 1 1 26 26 GLN C C 26 175.979 175.979 175.986 -0.007 25791 6482 1 17 . 1 1 26 26 GLN CA C 26 56.788 56.788 57.064 -0.276 25791 6483 1 17 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.592 -0.512 25791 6484 1 17 . 1 1 26 26 GLN H H 26 7.401 7.401 7.406 -0.005 25791 6485 1 17 . 1 1 27 27 TYR N N 27 114.712 114.712 117.681 -2.969 25791 6486 1 17 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.881 0.197 25791 6487 1 17 . 1 1 27 27 TYR C C 27 172.931 172.931 173.670 -0.739 25791 6488 1 17 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.520 0.647 25791 6489 1 17 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.252 1.408 25791 6490 1 17 . 1 1 27 27 TYR H H 27 7.675 7.675 8.034 -0.359 25791 6491 1 17 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.365 -0.003 25791 6492 1 17 . 1 1 28 28 PRO C C 28 179.333 179.333 178.114 1.219 25791 6493 1 17 . 1 1 28 28 PRO CA C 28 64.394 64.394 63.695 0.699 25791 6494 1 17 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.304 -1.050 25791 6495 1 17 . 1 1 29 29 GLY N N 29 110.091 110.091 112.928 -2.837 25791 6496 1 17 . 1 1 29 29 GLY C C 29 173.218 173.218 174.555 -1.337 25791 6497 1 17 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.719 0.192 25791 6498 1 17 . 1 1 29 29 GLY H H 29 8.826 8.826 8.779 0.047 25791 6499 1 17 . 1 1 30 30 ASN N N 30 118.603 118.603 122.200 -3.597 25791 6500 1 17 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.842 0.157 25791 6501 1 17 . 1 1 30 30 ASN C C 30 173.977 173.977 175.672 -1.695 25791 6502 1 17 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.795 -0.610 25791 6503 1 17 . 1 1 30 30 ASN CB C 30 38.426 38.426 36.916 1.510 25791 6504 1 17 . 1 1 30 30 ASN H H 30 7.293 7.293 7.575 -0.282 25791 6505 1 17 . 1 1 31 31 TYR N N 31 125.240 125.240 121.984 3.256 25791 6506 1 17 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.085 -0.187 25791 6507 1 17 . 1 1 31 31 TYR C C 31 177.343 177.343 177.146 0.197 25791 6508 1 17 . 1 1 31 31 TYR CA C 31 61.811 61.811 61.526 0.285 25791 6509 1 17 . 1 1 31 31 TYR CB C 31 38.357 38.357 37.645 0.712 25791 6510 1 17 . 1 1 31 31 TYR H H 31 8.509 8.509 7.819 0.690 25791 6511 1 17 . 1 1 32 32 GLU N N 32 118.993 118.993 119.438 -0.445 25791 6512 1 17 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.877 0.023 25791 6513 1 17 . 1 1 32 32 GLU C C 32 179.549 179.549 178.696 0.853 25791 6514 1 17 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.360 0.752 25791 6515 1 17 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.578 0.589 25791 6516 1 17 . 1 1 32 32 GLU H H 32 8.714 8.714 7.758 0.956 25791 6517 1 17 . 1 1 33 33 GLN N N 33 117.037 117.037 118.262 -1.225 25791 6518 1 17 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.848 -0.115 25791 6519 1 17 . 1 1 33 33 GLN C C 33 179.119 179.119 178.521 0.598 25791 6520 1 17 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.497 -0.795 25791 6521 1 17 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.729 -0.103 25791 6522 1 17 . 1 1 33 33 GLN H H 33 7.536 7.536 8.185 -0.649 25791 6523 1 17 . 1 1 34 34 GLN N N 34 117.723 117.723 119.635 -1.912 25791 6524 1 17 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.055 -0.244 25791 6525 1 17 . 1 1 34 34 GLN C C 34 177.634 177.634 178.670 -1.036 25791 6526 1 17 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.541 0.624 25791 6527 1 17 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.603 -1.102 25791 6528 1 17 . 1 1 34 34 GLN H H 34 7.968 7.968 8.482 -0.514 25791 6529 1 17 . 1 1 35 35 GLN N N 35 115.293 115.293 118.849 -3.556 25791 6530 1 17 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.137 -0.346 25791 6531 1 17 . 1 1 35 35 GLN C C 35 178.757 178.757 178.712 0.045 25791 6532 1 17 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.534 0.076 25791 6533 1 17 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.533 -0.328 25791 6534 1 17 . 1 1 35 35 GLN H H 35 7.870 7.870 7.979 -0.109 25791 6535 1 17 . 1 1 36 36 ILE N N 36 120.769 120.769 120.783 -0.014 25791 6536 1 17 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.664 -0.100 25791 6537 1 17 . 1 1 36 36 ILE C C 36 178.273 178.273 178.160 0.113 25791 6538 1 17 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.287 -0.051 25791 6539 1 17 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.718 0.655 25791 6540 1 17 . 1 1 36 36 ILE H H 36 7.503 7.503 8.207 -0.704 25791 6541 1 17 . 1 1 37 37 LEU N N 37 121.056 121.056 121.470 -0.414 25791 6542 1 17 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.009 0.300 25791 6543 1 17 . 1 1 37 37 LEU C C 37 178.348 178.348 178.203 0.145 25791 6544 1 17 . 1 1 37 37 LEU CA C 37 57.734 57.734 58.023 -0.289 25791 6545 1 17 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.795 -0.279 25791 6546 1 17 . 1 1 37 37 LEU H H 37 7.678 7.678 8.069 -0.391 25791 6547 1 17 . 1 1 38 38 ILE N N 38 119.334 119.334 119.515 -0.181 25791 6548 1 17 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.421 -0.080 25791 6549 1 17 . 1 1 38 38 ILE C C 38 177.371 177.371 177.981 -0.610 25791 6550 1 17 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.650 1.435 25791 6551 1 17 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.571 0.778 25791 6552 1 17 . 1 1 38 38 ILE H H 38 8.702 8.702 8.265 0.437 25791 6553 1 17 . 1 1 39 39 ARG N N 39 117.798 117.798 120.013 -2.215 25791 6554 1 17 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.259 -0.044 25791 6555 1 17 . 1 1 39 39 ARG C C 39 179.555 179.555 179.223 0.332 25791 6556 1 17 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.627 -0.168 25791 6557 1 17 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.960 -0.208 25791 6558 1 17 . 1 1 39 39 ARG H H 39 7.739 7.739 8.345 -0.606 25791 6559 1 17 . 1 1 40 40 GLN N N 40 119.432 119.432 118.365 1.067 25791 6560 1 17 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.111 0.026 25791 6561 1 17 . 1 1 40 40 GLN C C 40 179.522 179.522 178.552 0.970 25791 6562 1 17 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.299 0.961 25791 6563 1 17 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.445 -0.087 25791 6564 1 17 . 1 1 40 40 GLN H H 40 7.811 7.811 7.544 0.267 25791 6565 1 17 . 1 1 41 41 LEU N N 41 121.592 121.592 120.190 1.402 25791 6566 1 17 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.699 -0.012 25791 6567 1 17 . 1 1 41 41 LEU C C 41 178.974 178.974 179.048 -0.074 25791 6568 1 17 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.546 0.417 25791 6569 1 17 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.715 -0.862 25791 6570 1 17 . 1 1 41 41 LEU H H 41 8.648 8.648 8.185 0.463 25791 6571 1 17 . 1 1 42 42 GLN N N 42 119.054 119.054 118.758 0.296 25791 6572 1 17 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.323 0.221 25791 6573 1 17 . 1 1 42 42 GLN C C 42 180.176 180.176 178.757 1.419 25791 6574 1 17 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.570 -0.336 25791 6575 1 17 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.813 -0.893 25791 6576 1 17 . 1 1 42 42 GLN H H 42 8.641 8.641 8.473 0.168 25791 6577 1 17 . 1 1 43 43 GLU N N 43 121.517 121.517 121.020 0.497 25791 6578 1 17 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.057 0.179 25791 6579 1 17 . 1 1 43 43 GLU C C 43 179.721 179.721 179.040 0.681 25791 6580 1 17 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.683 -0.016 25791 6581 1 17 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.521 -0.263 25791 6582 1 17 . 1 1 43 43 GLU H H 43 8.111 8.111 8.135 -0.024 25791 6583 1 17 . 1 1 44 44 GLN N N 44 119.240 119.240 118.672 0.568 25791 6584 1 17 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.312 -0.196 25791 6585 1 17 . 1 1 44 44 GLN C C 44 179.012 179.012 178.504 0.508 25791 6586 1 17 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.898 0.251 25791 6587 1 17 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.862 -0.008 25791 6588 1 17 . 1 1 44 44 GLN H H 44 8.372 8.372 8.185 0.187 25791 6589 1 17 . 1 1 45 45 HIS N N 45 121.705 121.705 120.669 1.036 25791 6590 1 17 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.299 -0.019 25791 6591 1 17 . 1 1 45 45 HIS C C 45 176.395 176.395 177.415 -1.020 25791 6592 1 17 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.021 1.338 25791 6593 1 17 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.558 1.767 25791 6594 1 17 . 1 1 45 45 HIS H H 45 9.472 9.472 8.270 1.202 25791 6595 1 17 . 1 1 46 46 TYR N N 46 119.039 119.039 120.267 -1.228 25791 6596 1 17 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.087 -0.238 25791 6597 1 17 . 1 1 46 46 TYR C C 46 176.664 176.664 177.962 -1.298 25791 6598 1 17 . 1 1 46 46 TYR CA C 46 62.251 62.251 62.031 0.220 25791 6599 1 17 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.438 -0.766 25791 6600 1 17 . 1 1 46 46 TYR H H 46 8.253 8.253 8.456 -0.203 25791 6601 1 17 . 1 1 47 47 GLN N N 47 116.407 116.407 118.208 -1.801 25791 6602 1 17 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.817 -0.033 25791 6603 1 17 . 1 1 47 47 GLN C C 47 179.048 179.048 178.353 0.695 25791 6604 1 17 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.379 -0.430 25791 6605 1 17 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.506 -0.325 25791 6606 1 17 . 1 1 47 47 GLN H H 47 7.814 7.814 8.441 -0.627 25791 6607 1 17 . 1 1 48 48 GLN N N 48 119.803 119.803 119.516 0.287 25791 6608 1 17 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.119 -0.142 25791 6609 1 17 . 1 1 48 48 GLN C C 48 177.741 177.741 178.232 -0.491 25791 6610 1 17 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.207 0.107 25791 6611 1 17 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.471 -0.143 25791 6612 1 17 . 1 1 48 48 GLN H H 48 8.645 8.645 8.318 0.327 25791 6613 1 17 . 1 1 49 49 TYR N N 49 121.342 121.342 121.755 -0.413 25791 6614 1 17 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.128 -0.488 25791 6615 1 17 . 1 1 49 49 TYR C C 49 176.021 176.021 177.482 -1.461 25791 6616 1 17 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.464 0.645 25791 6617 1 17 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.191 0.716 25791 6618 1 17 . 1 1 49 49 TYR H H 49 9.105 9.105 8.465 0.640 25791 6619 1 17 . 1 1 50 50 MET N N 50 115.522 115.522 118.645 -3.123 25791 6620 1 17 . 1 1 50 50 MET HA H 50 4.040 4.040 3.651 0.389 25791 6621 1 17 . 1 1 50 50 MET C C 50 179.841 179.841 178.062 1.779 25791 6622 1 17 . 1 1 50 50 MET CA C 50 56.623 56.623 56.639 -0.016 25791 6623 1 17 . 1 1 50 50 MET CB C 50 30.099 30.099 31.652 -1.553 25791 6624 1 17 . 1 1 50 50 MET H H 50 8.060 8.060 8.275 -0.215 25791 6625 1 17 . 1 1 51 51 GLN N N 51 118.942 118.942 118.695 0.247 25791 6626 1 17 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.852 0.213 25791 6627 1 17 . 1 1 51 51 GLN C C 51 178.707 178.707 178.327 0.380 25791 6628 1 17 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.279 -0.337 25791 6629 1 17 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.490 -0.001 25791 6630 1 17 . 1 1 51 51 GLN H H 51 7.830 7.830 8.098 -0.268 25791 6631 1 17 . 1 1 52 52 GLN N N 52 119.210 119.210 119.395 -0.185 25791 6632 1 17 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.069 -0.012 25791 6633 1 17 . 1 1 52 52 GLN C C 52 178.738 178.738 178.466 0.272 25791 6634 1 17 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.653 0.096 25791 6635 1 17 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.927 -0.524 25791 6636 1 17 . 1 1 52 52 GLN H H 52 8.187 8.187 7.914 0.273 25791 6637 1 17 . 1 1 53 53 LEU N N 53 121.233 121.233 121.420 -0.187 25791 6638 1 17 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.823 0.018 25791 6639 1 17 . 1 1 53 53 LEU C C 53 179.191 179.191 178.121 1.070 25791 6640 1 17 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.763 -0.018 25791 6641 1 17 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.215 0.651 25791 6642 1 17 . 1 1 53 53 LEU H H 53 8.441 8.441 8.211 0.230 25791 6643 1 17 . 1 1 54 54 TYR N N 54 118.505 118.505 119.168 -0.663 25791 6644 1 17 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.918 0.400 25791 6645 1 17 . 1 1 54 54 TYR C C 54 177.535 177.535 177.552 -0.017 25791 6646 1 17 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.423 -1.946 25791 6647 1 17 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.382 -0.596 25791 6648 1 17 . 1 1 54 54 TYR H H 54 7.819 7.819 8.419 -0.600 25791 6649 1 17 . 1 1 55 55 GLN N N 55 117.299 117.299 117.688 -0.389 25791 6650 1 17 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.075 -0.176 25791 6651 1 17 . 1 1 55 55 GLN C C 55 179.041 179.041 178.298 0.743 25791 6652 1 17 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.942 -0.233 25791 6653 1 17 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.591 -0.376 25791 6654 1 17 . 1 1 55 55 GLN H H 55 7.735 7.735 7.688 0.047 25791 6655 1 17 . 1 1 56 56 VAL N N 56 120.879 120.879 119.788 1.091 25791 6656 1 17 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.640 0.152 25791 6657 1 17 . 1 1 56 56 VAL C C 56 178.262 178.262 177.706 0.556 25791 6658 1 17 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.884 -0.942 25791 6659 1 17 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.555 0.324 25791 6660 1 17 . 1 1 56 56 VAL H H 56 8.014 8.014 7.944 0.070 25791 6661 1 17 . 1 1 57 57 GLN N N 57 120.513 120.513 119.787 0.726 25791 6662 1 17 . 1 1 57 57 GLN HA H 57 4.060 4.060 4.008 0.052 25791 6663 1 17 . 1 1 57 57 GLN C C 57 178.772 178.772 178.263 0.509 25791 6664 1 17 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.276 0.340 25791 6665 1 17 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.800 0.185 25791 6666 1 17 . 1 1 57 57 GLN H H 57 8.103 8.103 8.329 -0.226 25791 6667 1 17 . 1 1 58 58 LEU N N 58 121.244 121.244 121.654 -0.410 25791 6668 1 17 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.959 0.046 25791 6669 1 17 . 1 1 58 58 LEU C C 58 179.134 179.134 178.238 0.896 25791 6670 1 17 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.332 0.174 25791 6671 1 17 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.276 0.527 25791 6672 1 17 . 1 1 58 58 LEU H H 58 8.176 8.176 7.671 0.505 25791 6673 1 17 . 1 1 59 59 ALA N N 59 121.608 121.608 121.298 0.310 25791 6674 1 17 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.923 0.242 25791 6675 1 17 . 1 1 59 59 ALA C C 59 180.497 180.497 179.851 0.646 25791 6676 1 17 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.334 -0.752 25791 6677 1 17 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.046 0.007 25791 6678 1 17 . 1 1 59 59 ALA H H 59 7.833 7.833 8.100 -0.267 25791 6679 1 17 . 1 1 60 60 GLN N N 60 118.335 118.335 117.417 0.918 25791 6680 1 17 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.992 0.156 25791 6681 1 17 . 1 1 60 60 GLN C C 60 178.334 178.334 179.004 -0.670 25791 6682 1 17 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.604 -0.627 25791 6683 1 17 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.137 0.298 25791 6684 1 17 . 1 1 60 60 GLN H H 60 8.081 8.081 7.675 0.406 25791 6685 1 17 . 1 1 61 61 GLN N N 61 120.206 120.206 119.013 1.193 25791 6686 1 17 . 1 1 61 61 GLN HA H 61 4.162 4.162 4.028 0.134 25791 6687 1 17 . 1 1 61 61 GLN C C 61 178.002 178.002 178.721 -0.719 25791 6688 1 17 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.737 -0.832 25791 6689 1 17 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.411 0.168 25791 6690 1 17 . 1 1 61 61 GLN H H 61 8.111 8.111 8.018 0.093 25791 6691 1 17 . 1 1 62 62 GLN N N 62 118.980 118.980 118.805 0.175 25791 6692 1 17 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.074 0.055 25791 6693 1 17 . 1 1 62 62 GLN C C 62 177.624 177.624 178.231 -0.607 25791 6694 1 17 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.745 -1.109 25791 6695 1 17 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.517 0.118 25791 6696 1 17 . 1 1 62 62 GLN H H 62 8.203 8.203 8.433 -0.230 25791 6697 1 17 . 1 1 63 63 ALA N N 63 122.712 122.712 121.678 1.034 25791 6698 1 17 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.170 0.036 25791 6699 1 17 . 1 1 63 63 ALA C C 63 178.922 178.922 178.925 -0.003 25791 6700 1 17 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.322 -0.426 25791 6701 1 17 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.215 0.244 25791 6702 1 17 . 1 1 63 63 ALA H H 63 8.004 8.004 8.020 -0.016 25791 6703 1 17 . 1 1 64 64 ALA N N 64 120.813 120.813 120.522 0.291 25791 6704 1 17 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.151 0.081 25791 6705 1 17 . 1 1 64 64 ALA C C 64 178.732 178.732 178.641 0.091 25791 6706 1 17 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.158 -0.642 25791 6707 1 17 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.172 -0.542 25791 6708 1 17 . 1 1 64 64 ALA H H 64 7.837 7.837 7.736 0.101 25791 6709 1 17 . 1 1 65 65 LEU N N 65 119.196 119.196 117.820 1.376 25791 6710 1 17 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.389 -0.132 25791 6711 1 17 . 1 1 65 65 LEU C C 65 178.038 178.038 177.788 0.250 25791 6712 1 17 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.095 -0.273 25791 6713 1 17 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.529 -0.265 25791 6714 1 17 . 1 1 65 65 LEU H H 65 7.765 7.765 7.527 0.238 25791 6715 1 17 . 1 1 66 66 GLN N N 66 119.365 119.365 114.086 5.279 25791 6716 1 17 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.954 0.321 25791 6717 1 17 . 1 1 66 66 GLN C C 66 176.120 176.120 176.702 -0.582 25791 6718 1 17 . 1 1 66 66 GLN CA C 66 56.067 56.067 56.705 -0.638 25791 6719 1 17 . 1 1 66 66 GLN CB C 66 29.132 29.132 25.866 3.266 25791 6720 1 17 . 1 1 66 66 GLN H H 66 7.967 7.967 8.368 -0.401 25791 6721 1 17 . 1 1 67 67 LYS N N 67 121.521 121.521 120.644 0.877 25791 6722 1 17 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.188 0.121 25791 6723 1 17 . 1 1 67 67 LYS C C 67 176.437 176.437 176.050 0.387 25791 6724 1 17 . 1 1 67 67 LYS CA C 67 56.389 56.389 55.800 0.589 25791 6725 1 17 . 1 1 67 67 LYS CB C 67 33.041 33.041 31.165 1.876 25791 6726 1 17 . 1 1 67 67 LYS H H 67 8.053 8.053 8.278 -0.225 25791 6727 1 17 . 1 1 68 68 GLN N N 68 121.970 121.970 118.645 3.325 25791 6728 1 17 . 1 1 68 68 GLN HA H 68 4.339 4.339 3.938 0.401 25791 6729 1 17 . 1 1 68 68 GLN C C 68 175.120 175.120 174.778 0.342 25791 6730 1 17 . 1 1 68 68 GLN CA C 68 56.000 56.000 56.568 -0.568 25791 6731 1 17 . 1 1 68 68 GLN CB C 68 29.498 29.498 27.682 1.816 25791 6732 1 17 . 1 1 68 68 GLN H H 68 8.314 8.314 8.053 0.261 25791 6733 1 18 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.577 -0.130 25791 6734 1 18 . 1 1 2 2 GLN C C 2 176.144 176.144 176.031 0.113 25791 6735 1 18 . 1 1 2 2 GLN CA C 2 56.209 56.209 55.193 1.016 25791 6736 1 18 . 1 1 2 2 GLN CB C 2 29.459 29.459 30.291 -0.832 25791 6737 1 18 . 1 1 3 3 GLN N N 3 122.052 122.052 124.848 -2.796 25791 6738 1 18 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.244 0.079 25791 6739 1 18 . 1 1 3 3 GLN C C 3 176.988 176.988 178.084 -1.096 25791 6740 1 18 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.486 -1.083 25791 6741 1 18 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.740 0.499 25791 6742 1 18 . 1 1 3 3 GLN H H 3 8.780 8.780 8.964 -0.184 25791 6743 1 18 . 1 1 4 4 LYS N N 4 121.855 121.855 119.486 2.369 25791 6744 1 18 . 1 1 4 4 LYS HA H 4 4.004 4.004 3.986 0.018 25791 6745 1 18 . 1 1 4 4 LYS C C 4 177.638 177.638 178.414 -0.776 25791 6746 1 18 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.405 0.834 25791 6747 1 18 . 1 1 4 4 LYS CB C 4 32.699 32.699 31.861 0.838 25791 6748 1 18 . 1 1 4 4 LYS H H 4 8.528 8.528 8.524 0.004 25791 6749 1 18 . 1 1 5 5 GLN N N 5 116.397 116.397 117.749 -1.352 25791 6750 1 18 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.889 0.052 25791 6751 1 18 . 1 1 5 5 GLN C C 5 178.761 178.761 178.206 0.555 25791 6752 1 18 . 1 1 5 5 GLN CA C 5 59.349 59.349 59.011 0.338 25791 6753 1 18 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.544 -0.594 25791 6754 1 18 . 1 1 5 5 GLN H H 5 8.223 8.223 7.862 0.361 25791 6755 1 18 . 1 1 6 6 GLN N N 6 119.262 119.262 119.164 0.098 25791 6756 1 18 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.115 0.013 25791 6757 1 18 . 1 1 6 6 GLN C C 6 179.018 179.018 178.396 0.622 25791 6758 1 18 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.583 0.506 25791 6759 1 18 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.155 0.555 25791 6760 1 18 . 1 1 6 6 GLN H H 6 7.848 7.848 7.708 0.140 25791 6761 1 18 . 1 1 7 7 ILE N N 7 121.296 121.296 122.034 -0.738 25791 6762 1 18 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.838 -0.255 25791 6763 1 18 . 1 1 7 7 ILE C C 7 177.833 177.833 178.227 -0.394 25791 6764 1 18 . 1 1 7 7 ILE CA C 7 65.129 65.129 63.325 1.804 25791 6765 1 18 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.112 1.093 25791 6766 1 18 . 1 1 7 7 ILE H H 7 8.095 8.095 7.543 0.552 25791 6767 1 18 . 1 1 8 8 MET N N 8 117.603 117.603 119.039 -1.436 25791 6768 1 18 . 1 1 8 8 MET HA H 8 3.985 3.985 4.004 -0.019 25791 6769 1 18 . 1 1 8 8 MET C C 8 177.355 177.355 178.800 -1.445 25791 6770 1 18 . 1 1 8 8 MET CA C 8 59.932 59.932 59.738 0.194 25791 6771 1 18 . 1 1 8 8 MET CB C 8 32.721 32.721 32.028 0.693 25791 6772 1 18 . 1 1 8 8 MET H H 8 8.672 8.672 8.397 0.275 25791 6773 1 18 . 1 1 9 9 ALA N N 9 118.774 118.774 121.488 -2.714 25791 6774 1 18 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.013 0.033 25791 6775 1 18 . 1 1 9 9 ALA C C 9 180.546 180.546 179.010 1.536 25791 6776 1 18 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.164 0.221 25791 6777 1 18 . 1 1 9 9 ALA CB C 9 17.898 17.898 18.019 -0.121 25791 6778 1 18 . 1 1 9 9 ALA H H 9 7.795 7.795 8.228 -0.433 25791 6779 1 18 . 1 1 10 10 ALA N N 10 120.854 120.854 121.742 -0.888 25791 6780 1 18 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.073 0.132 25791 6781 1 18 . 1 1 10 10 ALA C C 10 181.200 181.200 179.440 1.760 25791 6782 1 18 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.666 0.346 25791 6783 1 18 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.478 0.783 25791 6784 1 18 . 1 1 10 10 ALA H H 10 7.438 7.438 7.519 -0.081 25791 6785 1 18 . 1 1 11 11 LEU N N 11 120.775 120.775 118.636 2.139 25791 6786 1 18 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.720 0.028 25791 6787 1 18 . 1 1 11 11 LEU C C 11 179.041 179.041 179.274 -0.233 25791 6788 1 18 . 1 1 11 11 LEU CA C 11 58.346 58.346 58.075 0.271 25791 6789 1 18 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.247 -1.270 25791 6790 1 18 . 1 1 11 11 LEU H H 11 8.757 8.757 8.570 0.187 25791 6791 1 18 . 1 1 12 12 ASN N N 12 116.313 116.313 117.690 -1.377 25791 6792 1 18 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.569 -0.005 25791 6793 1 18 . 1 1 12 12 ASN C C 12 178.900 178.900 177.273 1.627 25791 6794 1 18 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.766 -1.701 25791 6795 1 18 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.710 -1.717 25791 6796 1 18 . 1 1 12 12 ASN H H 12 8.850 8.850 8.576 0.274 25791 6797 1 18 . 1 1 13 13 SER N N 13 114.747 114.747 115.556 -0.809 25791 6798 1 18 . 1 1 13 13 SER HA H 13 4.370 4.370 4.210 0.160 25791 6799 1 18 . 1 1 13 13 SER C C 13 176.515 176.515 176.481 0.034 25791 6800 1 18 . 1 1 13 13 SER CA C 13 61.141 61.141 61.704 -0.563 25791 6801 1 18 . 1 1 13 13 SER CB C 13 63.044 63.044 63.209 -0.165 25791 6802 1 18 . 1 1 13 13 SER H H 13 7.672 7.672 7.814 -0.142 25791 6803 1 18 . 1 1 14 14 GLN N N 14 119.954 119.954 119.374 0.580 25791 6804 1 18 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.192 0.026 25791 6805 1 18 . 1 1 14 14 GLN C C 14 178.208 178.208 177.265 0.943 25791 6806 1 18 . 1 1 14 14 GLN CA C 14 57.749 57.749 58.143 -0.394 25791 6807 1 18 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.745 -0.045 25791 6808 1 18 . 1 1 14 14 GLN H H 14 7.573 7.573 7.803 -0.231 25791 6809 1 18 . 1 1 15 15 THR N N 15 107.493 107.493 107.023 0.470 25791 6810 1 18 . 1 1 15 15 THR HA H 15 3.899 3.899 4.568 -0.669 25791 6811 1 18 . 1 1 15 15 THR C C 15 174.683 174.683 174.452 0.231 25791 6812 1 18 . 1 1 15 15 THR CA C 15 61.551 61.551 60.089 1.462 25791 6813 1 18 . 1 1 15 15 THR CB C 15 69.226 69.226 69.339 -0.113 25791 6814 1 18 . 1 1 15 15 THR H H 15 7.741 7.741 7.539 0.202 25791 6815 1 18 . 1 1 16 16 ALA N N 16 124.034 124.034 126.065 -2.031 25791 6816 1 18 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.026 0.109 25791 6817 1 18 . 1 1 16 16 ALA C C 16 179.899 179.899 178.509 1.390 25791 6818 1 18 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.874 0.333 25791 6819 1 18 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.290 0.434 25791 6820 1 18 . 1 1 16 16 ALA H H 16 6.873 6.873 7.242 -0.369 25791 6821 1 18 . 1 1 17 17 VAL N N 17 117.150 117.150 118.021 -0.871 25791 6822 1 18 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.692 0.022 25791 6823 1 18 . 1 1 17 17 VAL C C 17 178.537 178.537 177.366 1.171 25791 6824 1 18 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.259 1.249 25791 6825 1 18 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.590 0.103 25791 6826 1 18 . 1 1 17 17 VAL H H 17 8.162 8.162 8.404 -0.242 25791 6827 1 18 . 1 1 18 18 GLN N N 18 119.489 119.489 119.871 -0.382 25791 6828 1 18 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.019 0.038 25791 6829 1 18 . 1 1 18 18 GLN C C 18 180.429 180.429 178.876 1.553 25791 6830 1 18 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.194 0.505 25791 6831 1 18 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.436 0.750 25791 6832 1 18 . 1 1 18 18 GLN H H 18 8.451 8.451 7.923 0.528 25791 6833 1 18 . 1 1 19 19 PHE N N 19 117.940 117.940 118.917 -0.977 25791 6834 1 18 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.434 0.396 25791 6835 1 18 . 1 1 19 19 PHE C C 19 177.858 177.858 178.345 -0.487 25791 6836 1 18 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.818 -1.789 25791 6837 1 18 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.195 -2.290 25791 6838 1 18 . 1 1 19 19 PHE H H 19 8.924 8.924 8.676 0.248 25791 6839 1 18 . 1 1 20 20 GLN N N 20 120.297 120.297 119.371 0.926 25791 6840 1 18 . 1 1 20 20 GLN HA H 20 4.106 4.106 4.054 0.052 25791 6841 1 18 . 1 1 20 20 GLN C C 20 178.986 178.986 178.672 0.314 25791 6842 1 18 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.596 -0.033 25791 6843 1 18 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.577 -0.682 25791 6844 1 18 . 1 1 20 20 GLN H H 20 8.264 8.264 8.345 -0.081 25791 6845 1 18 . 1 1 21 21 GLN N N 21 118.595 118.595 119.250 -0.655 25791 6846 1 18 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.065 0.017 25791 6847 1 18 . 1 1 21 21 GLN C C 21 178.806 178.806 178.642 0.164 25791 6848 1 18 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.985 0.185 25791 6849 1 18 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.893 -0.698 25791 6850 1 18 . 1 1 21 21 GLN H H 21 8.527 8.527 8.324 0.203 25791 6851 1 18 . 1 1 22 22 TYR N N 22 119.594 119.594 121.386 -1.792 25791 6852 1 18 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.296 -0.049 25791 6853 1 18 . 1 1 22 22 TYR C C 22 177.789 177.789 177.235 0.554 25791 6854 1 18 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.600 1.111 25791 6855 1 18 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.538 0.186 25791 6856 1 18 . 1 1 22 22 TYR H H 22 7.843 7.843 8.033 -0.190 25791 6857 1 18 . 1 1 23 23 ALA N N 23 120.663 120.663 121.418 -0.755 25791 6858 1 18 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.789 0.068 25791 6859 1 18 . 1 1 23 23 ALA C C 23 179.319 179.319 178.714 0.605 25791 6860 1 18 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.986 0.603 25791 6861 1 18 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.232 0.250 25791 6862 1 18 . 1 1 23 23 ALA H H 23 8.612 8.612 8.507 0.105 25791 6863 1 18 . 1 1 24 24 ALA N N 24 119.002 119.002 120.457 -1.455 25791 6864 1 18 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.106 -0.168 25791 6865 1 18 . 1 1 24 24 ALA C C 24 178.987 178.987 179.155 -0.168 25791 6866 1 18 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.163 0.154 25791 6867 1 18 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.407 -0.516 25791 6868 1 18 . 1 1 24 24 ALA H H 24 8.168 8.168 8.156 0.012 25791 6869 1 18 . 1 1 25 25 GLN N N 25 115.599 115.599 116.995 -1.396 25791 6870 1 18 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.012 -0.008 25791 6871 1 18 . 1 1 25 25 GLN C C 25 177.818 177.818 178.251 -0.433 25791 6872 1 18 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.125 -0.671 25791 6873 1 18 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.885 -0.430 25791 6874 1 18 . 1 1 25 25 GLN H H 25 7.300 7.300 7.534 -0.234 25791 6875 1 18 . 1 1 26 26 GLN N N 26 116.989 116.989 116.661 0.328 25791 6876 1 18 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.838 -0.134 25791 6877 1 18 . 1 1 26 26 GLN C C 26 175.979 175.979 176.092 -0.113 25791 6878 1 18 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.999 -0.211 25791 6879 1 18 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.411 -0.331 25791 6880 1 18 . 1 1 26 26 GLN H H 26 7.401 7.401 7.332 0.069 25791 6881 1 18 . 1 1 27 27 TYR N N 27 114.712 114.712 117.873 -3.161 25791 6882 1 18 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.888 0.190 25791 6883 1 18 . 1 1 27 27 TYR C C 27 172.931 172.931 173.703 -0.772 25791 6884 1 18 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.585 0.582 25791 6885 1 18 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.265 1.395 25791 6886 1 18 . 1 1 27 27 TYR H H 27 7.675 7.675 8.083 -0.408 25791 6887 1 18 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.354 0.008 25791 6888 1 18 . 1 1 28 28 PRO C C 28 179.333 179.333 177.894 1.439 25791 6889 1 18 . 1 1 28 28 PRO CA C 28 64.394 64.394 64.238 0.156 25791 6890 1 18 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.331 -1.077 25791 6891 1 18 . 1 1 29 29 GLY N N 29 110.091 110.091 113.193 -3.102 25791 6892 1 18 . 1 1 29 29 GLY C C 29 173.218 173.218 174.820 -1.602 25791 6893 1 18 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.353 0.559 25791 6894 1 18 . 1 1 29 29 GLY H H 29 8.826 8.826 8.765 0.061 25791 6895 1 18 . 1 1 30 30 ASN N N 30 118.603 118.603 123.248 -4.645 25791 6896 1 18 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.939 0.060 25791 6897 1 18 . 1 1 30 30 ASN C C 30 173.977 173.977 175.596 -1.619 25791 6898 1 18 . 1 1 30 30 ASN CA C 30 51.185 51.185 50.953 0.232 25791 6899 1 18 . 1 1 30 30 ASN CB C 30 38.426 38.426 37.243 1.183 25791 6900 1 18 . 1 1 30 30 ASN H H 30 7.293 7.293 7.799 -0.506 25791 6901 1 18 . 1 1 31 31 TYR N N 31 125.240 125.240 121.539 3.701 25791 6902 1 18 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.363 -0.465 25791 6903 1 18 . 1 1 31 31 TYR C C 31 177.343 177.343 177.007 0.336 25791 6904 1 18 . 1 1 31 31 TYR CA C 31 61.811 61.811 61.010 0.801 25791 6905 1 18 . 1 1 31 31 TYR CB C 31 38.357 38.357 37.412 0.945 25791 6906 1 18 . 1 1 31 31 TYR H H 31 8.509 8.509 7.766 0.743 25791 6907 1 18 . 1 1 32 32 GLU N N 32 118.993 118.993 119.373 -0.380 25791 6908 1 18 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.900 -0.000 25791 6909 1 18 . 1 1 32 32 GLU C C 32 179.549 179.549 178.729 0.820 25791 6910 1 18 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.502 0.610 25791 6911 1 18 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.587 0.581 25791 6912 1 18 . 1 1 32 32 GLU H H 32 8.714 8.714 7.836 0.878 25791 6913 1 18 . 1 1 33 33 GLN N N 33 117.037 117.037 117.908 -0.871 25791 6914 1 18 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.832 -0.099 25791 6915 1 18 . 1 1 33 33 GLN C C 33 179.119 179.119 178.597 0.522 25791 6916 1 18 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.449 -0.747 25791 6917 1 18 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.628 -0.003 25791 6918 1 18 . 1 1 33 33 GLN H H 33 7.536 7.536 8.208 -0.672 25791 6919 1 18 . 1 1 34 34 GLN N N 34 117.723 117.723 119.724 -2.001 25791 6920 1 18 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.082 -0.271 25791 6921 1 18 . 1 1 34 34 GLN C C 34 177.634 177.634 178.668 -1.034 25791 6922 1 18 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.483 0.682 25791 6923 1 18 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.617 -1.116 25791 6924 1 18 . 1 1 34 34 GLN H H 34 7.968 7.968 8.372 -0.404 25791 6925 1 18 . 1 1 35 35 GLN N N 35 115.293 115.293 118.979 -3.686 25791 6926 1 18 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.113 -0.322 25791 6927 1 18 . 1 1 35 35 GLN C C 35 178.757 178.757 178.718 0.039 25791 6928 1 18 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.696 -0.086 25791 6929 1 18 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.495 -0.290 25791 6930 1 18 . 1 1 35 35 GLN H H 35 7.870 7.870 8.184 -0.314 25791 6931 1 18 . 1 1 36 36 ILE N N 36 120.769 120.769 120.465 0.304 25791 6932 1 18 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.678 -0.114 25791 6933 1 18 . 1 1 36 36 ILE C C 36 178.273 178.273 178.178 0.095 25791 6934 1 18 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.159 0.077 25791 6935 1 18 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.714 0.659 25791 6936 1 18 . 1 1 36 36 ILE H H 36 7.503 7.503 7.971 -0.468 25791 6937 1 18 . 1 1 37 37 LEU N N 37 121.056 121.056 121.387 -0.331 25791 6938 1 18 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.063 0.246 25791 6939 1 18 . 1 1 37 37 LEU C C 37 178.348 178.348 178.247 0.101 25791 6940 1 18 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.869 -0.135 25791 6941 1 18 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.757 -0.241 25791 6942 1 18 . 1 1 37 37 LEU H H 37 7.678 7.678 7.901 -0.223 25791 6943 1 18 . 1 1 38 38 ILE N N 38 119.334 119.334 119.604 -0.270 25791 6944 1 18 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.437 -0.096 25791 6945 1 18 . 1 1 38 38 ILE C C 38 177.371 177.371 177.880 -0.509 25791 6946 1 18 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.654 1.431 25791 6947 1 18 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.564 0.785 25791 6948 1 18 . 1 1 38 38 ILE H H 38 8.702 8.702 8.303 0.399 25791 6949 1 18 . 1 1 39 39 ARG N N 39 117.798 117.798 119.845 -2.047 25791 6950 1 18 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.140 0.075 25791 6951 1 18 . 1 1 39 39 ARG C C 39 179.555 179.555 179.217 0.338 25791 6952 1 18 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.926 -0.467 25791 6953 1 18 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.945 -0.192 25791 6954 1 18 . 1 1 39 39 ARG H H 39 7.739 7.739 8.216 -0.477 25791 6955 1 18 . 1 1 40 40 GLN N N 40 119.432 119.432 118.895 0.537 25791 6956 1 18 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.016 0.121 25791 6957 1 18 . 1 1 40 40 GLN C C 40 179.522 179.522 178.478 1.044 25791 6958 1 18 . 1 1 40 40 GLN CA C 40 59.260 59.260 59.012 0.248 25791 6959 1 18 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.549 -0.191 25791 6960 1 18 . 1 1 40 40 GLN H H 40 7.811 7.811 7.567 0.244 25791 6961 1 18 . 1 1 41 41 LEU N N 41 121.592 121.592 120.353 1.239 25791 6962 1 18 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.804 -0.117 25791 6963 1 18 . 1 1 41 41 LEU C C 41 178.974 178.974 178.972 0.002 25791 6964 1 18 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.336 0.627 25791 6965 1 18 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.519 -0.667 25791 6966 1 18 . 1 1 41 41 LEU H H 41 8.648 8.648 7.909 0.739 25791 6967 1 18 . 1 1 42 42 GLN N N 42 119.054 119.054 118.513 0.541 25791 6968 1 18 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.258 0.286 25791 6969 1 18 . 1 1 42 42 GLN C C 42 180.176 180.176 178.812 1.364 25791 6970 1 18 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.285 -0.051 25791 6971 1 18 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.836 -0.916 25791 6972 1 18 . 1 1 42 42 GLN H H 42 8.641 8.641 8.532 0.109 25791 6973 1 18 . 1 1 43 43 GLU N N 43 121.517 121.517 121.574 -0.057 25791 6974 1 18 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.020 0.216 25791 6975 1 18 . 1 1 43 43 GLU C C 43 179.721 179.721 178.950 0.771 25791 6976 1 18 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.761 -0.094 25791 6977 1 18 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.506 -0.248 25791 6978 1 18 . 1 1 43 43 GLU H H 43 8.111 8.111 8.257 -0.146 25791 6979 1 18 . 1 1 44 44 GLN N N 44 119.240 119.240 117.957 1.283 25791 6980 1 18 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.051 0.065 25791 6981 1 18 . 1 1 44 44 GLN C C 44 179.012 179.012 178.383 0.629 25791 6982 1 18 . 1 1 44 44 GLN CA C 44 59.149 59.149 59.026 0.123 25791 6983 1 18 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.816 0.038 25791 6984 1 18 . 1 1 44 44 GLN H H 44 8.372 8.372 8.131 0.241 25791 6985 1 18 . 1 1 45 45 HIS N N 45 121.705 121.705 120.900 0.805 25791 6986 1 18 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.296 -0.016 25791 6987 1 18 . 1 1 45 45 HIS C C 45 176.395 176.395 177.247 -0.852 25791 6988 1 18 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.081 1.278 25791 6989 1 18 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.579 1.746 25791 6990 1 18 . 1 1 45 45 HIS H H 45 9.472 9.472 8.428 1.044 25791 6991 1 18 . 1 1 46 46 TYR N N 46 119.039 119.039 120.714 -1.675 25791 6992 1 18 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.022 -0.173 25791 6993 1 18 . 1 1 46 46 TYR C C 46 176.664 176.664 178.064 -1.400 25791 6994 1 18 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.879 0.372 25791 6995 1 18 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.419 -0.747 25791 6996 1 18 . 1 1 46 46 TYR H H 46 8.253 8.253 8.606 -0.353 25791 6997 1 18 . 1 1 47 47 GLN N N 47 116.407 116.407 117.056 -0.649 25791 6998 1 18 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.841 -0.057 25791 6999 1 18 . 1 1 47 47 GLN C C 47 179.048 179.048 178.605 0.443 25791 7000 1 18 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.042 -0.093 25791 7001 1 18 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.037 0.144 25791 7002 1 18 . 1 1 47 47 GLN H H 47 7.814 7.814 8.271 -0.457 25791 7003 1 18 . 1 1 48 48 GLN N N 48 119.803 119.803 119.912 -0.109 25791 7004 1 18 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.096 -0.119 25791 7005 1 18 . 1 1 48 48 GLN C C 48 177.741 177.741 178.257 -0.516 25791 7006 1 18 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.331 -0.017 25791 7007 1 18 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.399 -0.071 25791 7008 1 18 . 1 1 48 48 GLN H H 48 8.645 8.645 8.512 0.133 25791 7009 1 18 . 1 1 49 49 TYR N N 49 121.342 121.342 121.597 -0.255 25791 7010 1 18 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.149 -0.509 25791 7011 1 18 . 1 1 49 49 TYR C C 49 176.021 176.021 177.557 -1.536 25791 7012 1 18 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.486 0.623 25791 7013 1 18 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.242 0.665 25791 7014 1 18 . 1 1 49 49 TYR H H 49 9.105 9.105 8.670 0.435 25791 7015 1 18 . 1 1 50 50 MET N N 50 115.522 115.522 118.119 -2.597 25791 7016 1 18 . 1 1 50 50 MET HA H 50 4.040 4.040 3.584 0.456 25791 7017 1 18 . 1 1 50 50 MET C C 50 179.841 179.841 178.228 1.613 25791 7018 1 18 . 1 1 50 50 MET CA C 50 56.623 56.623 58.608 -1.985 25791 7019 1 18 . 1 1 50 50 MET CB C 50 30.099 30.099 32.114 -2.015 25791 7020 1 18 . 1 1 50 50 MET H H 50 8.060 8.060 8.184 -0.124 25791 7021 1 18 . 1 1 51 51 GLN N N 51 118.942 118.942 118.922 0.020 25791 7022 1 18 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.940 0.125 25791 7023 1 18 . 1 1 51 51 GLN C C 51 178.707 178.707 178.303 0.404 25791 7024 1 18 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.016 -0.074 25791 7025 1 18 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.301 0.188 25791 7026 1 18 . 1 1 51 51 GLN H H 51 7.830 7.830 7.909 -0.079 25791 7027 1 18 . 1 1 52 52 GLN N N 52 119.210 119.210 120.304 -1.094 25791 7028 1 18 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.121 -0.064 25791 7029 1 18 . 1 1 52 52 GLN C C 52 178.738 178.738 178.538 0.200 25791 7030 1 18 . 1 1 52 52 GLN CA C 52 58.749 58.749 57.991 0.758 25791 7031 1 18 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.413 -0.010 25791 7032 1 18 . 1 1 52 52 GLN H H 52 8.187 8.187 8.171 0.016 25791 7033 1 18 . 1 1 53 53 LEU N N 53 121.233 121.233 121.265 -0.032 25791 7034 1 18 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.886 -0.045 25791 7035 1 18 . 1 1 53 53 LEU C C 53 179.191 179.191 177.918 1.273 25791 7036 1 18 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.693 0.052 25791 7037 1 18 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.243 0.623 25791 7038 1 18 . 1 1 53 53 LEU H H 53 8.441 8.441 8.154 0.287 25791 7039 1 18 . 1 1 54 54 TYR N N 54 118.505 118.505 119.393 -0.888 25791 7040 1 18 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.862 0.456 25791 7041 1 18 . 1 1 54 54 TYR C C 54 177.535 177.535 177.509 0.026 25791 7042 1 18 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.103 -1.626 25791 7043 1 18 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.267 -0.480 25791 7044 1 18 . 1 1 54 54 TYR H H 54 7.819 7.819 8.036 -0.217 25791 7045 1 18 . 1 1 55 55 GLN N N 55 117.299 117.299 117.892 -0.593 25791 7046 1 18 . 1 1 55 55 GLN HA H 55 3.899 3.899 3.988 -0.089 25791 7047 1 18 . 1 1 55 55 GLN C C 55 179.041 179.041 178.555 0.486 25791 7048 1 18 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.963 -0.254 25791 7049 1 18 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.600 -0.385 25791 7050 1 18 . 1 1 55 55 GLN H H 55 7.735 7.735 7.858 -0.123 25791 7051 1 18 . 1 1 56 56 VAL N N 56 120.879 120.879 120.312 0.567 25791 7052 1 18 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.553 0.239 25791 7053 1 18 . 1 1 56 56 VAL C C 56 178.262 178.262 177.751 0.511 25791 7054 1 18 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.428 -0.486 25791 7055 1 18 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.697 0.182 25791 7056 1 18 . 1 1 56 56 VAL H H 56 8.014 8.014 7.578 0.436 25791 7057 1 18 . 1 1 57 57 GLN N N 57 120.513 120.513 119.083 1.430 25791 7058 1 18 . 1 1 57 57 GLN HA H 57 4.060 4.060 4.016 0.044 25791 7059 1 18 . 1 1 57 57 GLN C C 57 178.772 178.772 178.176 0.596 25791 7060 1 18 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.286 0.330 25791 7061 1 18 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.846 0.139 25791 7062 1 18 . 1 1 57 57 GLN H H 57 8.103 8.103 7.966 0.137 25791 7063 1 18 . 1 1 58 58 LEU N N 58 121.244 121.244 121.300 -0.056 25791 7064 1 18 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.911 0.094 25791 7065 1 18 . 1 1 58 58 LEU C C 58 179.134 179.134 178.321 0.813 25791 7066 1 18 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.081 0.425 25791 7067 1 18 . 1 1 58 58 LEU CB C 58 41.803 41.803 40.906 0.897 25791 7068 1 18 . 1 1 58 58 LEU H H 58 8.176 8.176 8.259 -0.083 25791 7069 1 18 . 1 1 59 59 ALA N N 59 121.608 121.608 121.124 0.484 25791 7070 1 18 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.826 0.339 25791 7071 1 18 . 1 1 59 59 ALA C C 59 180.497 180.497 179.850 0.647 25791 7072 1 18 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.152 -0.570 25791 7073 1 18 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.158 -0.105 25791 7074 1 18 . 1 1 59 59 ALA H H 59 7.833 7.833 8.062 -0.229 25791 7075 1 18 . 1 1 60 60 GLN N N 60 118.335 118.335 117.516 0.819 25791 7076 1 18 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.934 0.214 25791 7077 1 18 . 1 1 60 60 GLN C C 60 178.334 178.334 178.591 -0.257 25791 7078 1 18 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.467 -0.490 25791 7079 1 18 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.697 -0.262 25791 7080 1 18 . 1 1 60 60 GLN H H 60 8.081 8.081 7.724 0.357 25791 7081 1 18 . 1 1 61 61 GLN N N 61 120.206 120.206 119.999 0.207 25791 7082 1 18 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.977 0.185 25791 7083 1 18 . 1 1 61 61 GLN C C 61 178.002 178.002 178.427 -0.425 25791 7084 1 18 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.548 -0.643 25791 7085 1 18 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.211 0.368 25791 7086 1 18 . 1 1 61 61 GLN H H 61 8.111 8.111 8.182 -0.071 25791 7087 1 18 . 1 1 62 62 GLN N N 62 118.980 118.980 118.675 0.305 25791 7088 1 18 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.014 0.115 25791 7089 1 18 . 1 1 62 62 GLN C C 62 177.624 177.624 178.142 -0.518 25791 7090 1 18 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.862 -1.226 25791 7091 1 18 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.475 0.161 25791 7092 1 18 . 1 1 62 62 GLN H H 62 8.203 8.203 8.266 -0.063 25791 7093 1 18 . 1 1 63 63 ALA N N 63 122.712 122.712 121.985 0.727 25791 7094 1 18 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.166 0.040 25791 7095 1 18 . 1 1 63 63 ALA C C 63 178.922 178.922 178.558 0.364 25791 7096 1 18 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.153 -0.257 25791 7097 1 18 . 1 1 63 63 ALA CB C 63 18.459 18.459 17.948 0.511 25791 7098 1 18 . 1 1 63 63 ALA H H 63 8.004 8.004 7.458 0.546 25791 7099 1 18 . 1 1 64 64 ALA N N 64 120.813 120.813 118.897 1.916 25791 7100 1 18 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.042 0.191 25791 7101 1 18 . 1 1 64 64 ALA C C 64 178.732 178.732 178.449 0.283 25791 7102 1 18 . 1 1 64 64 ALA CA C 64 53.516 53.516 53.841 -0.325 25791 7103 1 18 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.215 -0.585 25791 7104 1 18 . 1 1 64 64 ALA H H 64 7.837 7.837 7.624 0.213 25791 7105 1 18 . 1 1 65 65 LEU N N 65 119.196 119.196 118.947 0.249 25791 7106 1 18 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.352 -0.095 25791 7107 1 18 . 1 1 65 65 LEU C C 65 178.038 178.038 177.798 0.240 25791 7108 1 18 . 1 1 65 65 LEU CA C 65 55.822 55.822 55.788 0.034 25791 7109 1 18 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.407 -0.143 25791 7110 1 18 . 1 1 65 65 LEU H H 65 7.765 7.765 7.664 0.101 25791 7111 1 18 . 1 1 66 66 GLN N N 66 119.365 119.365 115.055 4.310 25791 7112 1 18 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.881 0.394 25791 7113 1 18 . 1 1 66 66 GLN C C 66 176.120 176.120 174.845 1.275 25791 7114 1 18 . 1 1 66 66 GLN CA C 66 56.067 56.067 56.858 -0.791 25791 7115 1 18 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.590 2.542 25791 7116 1 18 . 1 1 66 66 GLN H H 66 7.967 7.967 8.039 -0.072 25791 7117 1 18 . 1 1 67 67 LYS N N 67 121.521 121.521 119.104 2.417 25791 7118 1 18 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.416 -0.107 25791 7119 1 18 . 1 1 67 67 LYS C C 67 176.437 176.437 175.539 0.898 25791 7120 1 18 . 1 1 67 67 LYS CA C 67 56.389 56.389 55.348 1.041 25791 7121 1 18 . 1 1 67 67 LYS CB C 67 33.041 33.041 32.113 0.928 25791 7122 1 18 . 1 1 67 67 LYS H H 67 8.053 8.053 8.036 0.017 25791 7123 1 18 . 1 1 68 68 GLN N N 68 121.970 121.970 121.432 0.538 25791 7124 1 18 . 1 1 68 68 GLN HA H 68 4.339 4.339 3.971 0.368 25791 7125 1 18 . 1 1 68 68 GLN C C 68 175.120 175.120 175.751 -0.631 25791 7126 1 18 . 1 1 68 68 GLN CA C 68 56.000 56.000 56.461 -0.461 25791 7127 1 18 . 1 1 68 68 GLN CB C 68 29.498 29.498 27.102 2.396 25791 7128 1 18 . 1 1 68 68 GLN H H 68 8.314 8.314 8.820 -0.506 25791 7129 1 19 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.407 0.040 25791 7130 1 19 . 1 1 2 2 GLN C C 2 176.144 176.144 177.694 -1.550 25791 7131 1 19 . 1 1 2 2 GLN CA C 2 56.209 56.209 55.635 0.574 25791 7132 1 19 . 1 1 2 2 GLN CB C 2 29.459 29.459 29.581 -0.122 25791 7133 1 19 . 1 1 3 3 GLN N N 3 122.052 122.052 124.816 -2.764 25791 7134 1 19 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.132 0.191 25791 7135 1 19 . 1 1 3 3 GLN C C 3 176.988 176.988 177.386 -0.398 25791 7136 1 19 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.312 -0.909 25791 7137 1 19 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.557 0.682 25791 7138 1 19 . 1 1 3 3 GLN H H 3 8.780 8.780 8.895 -0.115 25791 7139 1 19 . 1 1 4 4 LYS N N 4 121.855 121.855 119.167 2.688 25791 7140 1 19 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.195 -0.191 25791 7141 1 19 . 1 1 4 4 LYS C C 4 177.638 177.638 178.531 -0.893 25791 7142 1 19 . 1 1 4 4 LYS CA C 4 60.239 60.239 58.785 1.454 25791 7143 1 19 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.093 0.606 25791 7144 1 19 . 1 1 4 4 LYS H H 4 8.528 8.528 8.184 0.344 25791 7145 1 19 . 1 1 5 5 GLN N N 5 116.397 116.397 118.640 -2.243 25791 7146 1 19 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.954 -0.013 25791 7147 1 19 . 1 1 5 5 GLN C C 5 178.761 178.761 178.425 0.336 25791 7148 1 19 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.793 0.556 25791 7149 1 19 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.215 -0.265 25791 7150 1 19 . 1 1 5 5 GLN H H 5 8.223 8.223 7.841 0.382 25791 7151 1 19 . 1 1 6 6 GLN N N 6 119.262 119.262 117.584 1.678 25791 7152 1 19 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.105 0.023 25791 7153 1 19 . 1 1 6 6 GLN C C 6 179.018 179.018 177.910 1.108 25791 7154 1 19 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.915 0.174 25791 7155 1 19 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.160 0.550 25791 7156 1 19 . 1 1 6 6 GLN H H 6 7.848 7.848 7.717 0.131 25791 7157 1 19 . 1 1 7 7 ILE N N 7 121.296 121.296 120.682 0.614 25791 7158 1 19 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.901 -0.318 25791 7159 1 19 . 1 1 7 7 ILE C C 7 177.833 177.833 178.145 -0.312 25791 7160 1 19 . 1 1 7 7 ILE CA C 7 65.129 65.129 62.983 2.146 25791 7161 1 19 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.186 1.020 25791 7162 1 19 . 1 1 7 7 ILE H H 7 8.095 8.095 7.231 0.864 25791 7163 1 19 . 1 1 8 8 MET N N 8 117.603 117.603 119.172 -1.569 25791 7164 1 19 . 1 1 8 8 MET HA H 8 3.985 3.985 4.030 -0.045 25791 7165 1 19 . 1 1 8 8 MET C C 8 177.355 177.355 178.854 -1.499 25791 7166 1 19 . 1 1 8 8 MET CA C 8 59.932 59.932 59.682 0.249 25791 7167 1 19 . 1 1 8 8 MET CB C 8 32.721 32.721 32.020 0.701 25791 7168 1 19 . 1 1 8 8 MET H H 8 8.672 8.672 8.226 0.446 25791 7169 1 19 . 1 1 9 9 ALA N N 9 118.774 118.774 121.550 -2.776 25791 7170 1 19 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.053 -0.007 25791 7171 1 19 . 1 1 9 9 ALA C C 9 180.546 180.546 179.188 1.358 25791 7172 1 19 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.062 0.323 25791 7173 1 19 . 1 1 9 9 ALA CB C 9 17.898 17.898 18.131 -0.233 25791 7174 1 19 . 1 1 9 9 ALA H H 9 7.795 7.795 8.433 -0.638 25791 7175 1 19 . 1 1 10 10 ALA N N 10 120.854 120.854 121.387 -0.533 25791 7176 1 19 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.085 0.120 25791 7177 1 19 . 1 1 10 10 ALA C C 10 181.200 181.200 179.670 1.530 25791 7178 1 19 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.855 0.158 25791 7179 1 19 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.263 0.998 25791 7180 1 19 . 1 1 10 10 ALA H H 10 7.438 7.438 7.624 -0.186 25791 7181 1 19 . 1 1 11 11 LEU N N 11 120.775 120.775 118.552 2.223 25791 7182 1 19 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.742 0.006 25791 7183 1 19 . 1 1 11 11 LEU C C 11 179.041 179.041 179.136 -0.095 25791 7184 1 19 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.870 0.477 25791 7185 1 19 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.362 -1.385 25791 7186 1 19 . 1 1 11 11 LEU H H 11 8.757 8.757 8.539 0.218 25791 7187 1 19 . 1 1 12 12 ASN N N 12 116.313 116.313 117.138 -0.825 25791 7188 1 19 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.464 0.100 25791 7189 1 19 . 1 1 12 12 ASN C C 12 178.900 178.900 177.068 1.832 25791 7190 1 19 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.825 -1.760 25791 7191 1 19 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.663 -1.670 25791 7192 1 19 . 1 1 12 12 ASN H H 12 8.850 8.850 8.386 0.464 25791 7193 1 19 . 1 1 13 13 SER N N 13 114.747 114.747 115.117 -0.370 25791 7194 1 19 . 1 1 13 13 SER HA H 13 4.370 4.370 4.167 0.203 25791 7195 1 19 . 1 1 13 13 SER C C 13 176.515 176.515 176.921 -0.406 25791 7196 1 19 . 1 1 13 13 SER CA C 13 61.141 61.141 61.441 -0.300 25791 7197 1 19 . 1 1 13 13 SER CB C 13 63.044 63.044 63.384 -0.340 25791 7198 1 19 . 1 1 13 13 SER H H 13 7.672 7.672 7.821 -0.149 25791 7199 1 19 . 1 1 14 14 GLN N N 14 119.954 119.954 118.785 1.169 25791 7200 1 19 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.195 0.023 25791 7201 1 19 . 1 1 14 14 GLN C C 14 178.208 178.208 177.126 1.082 25791 7202 1 19 . 1 1 14 14 GLN CA C 14 57.749 57.749 58.182 -0.433 25791 7203 1 19 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.720 -0.020 25791 7204 1 19 . 1 1 14 14 GLN H H 14 7.573 7.573 7.904 -0.331 25791 7205 1 19 . 1 1 15 15 THR N N 15 107.493 107.493 106.968 0.525 25791 7206 1 19 . 1 1 15 15 THR HA H 15 3.899 3.899 4.382 -0.483 25791 7207 1 19 . 1 1 15 15 THR C C 15 174.683 174.683 174.443 0.240 25791 7208 1 19 . 1 1 15 15 THR CA C 15 61.551 61.551 60.051 1.500 25791 7209 1 19 . 1 1 15 15 THR CB C 15 69.226 69.226 68.311 0.915 25791 7210 1 19 . 1 1 15 15 THR H H 15 7.741 7.741 7.397 0.344 25791 7211 1 19 . 1 1 16 16 ALA N N 16 124.034 124.034 126.128 -2.094 25791 7212 1 19 . 1 1 16 16 ALA HA H 16 4.135 4.135 3.992 0.143 25791 7213 1 19 . 1 1 16 16 ALA C C 16 179.899 179.899 178.358 1.541 25791 7214 1 19 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.949 0.258 25791 7215 1 19 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.284 0.440 25791 7216 1 19 . 1 1 16 16 ALA H H 16 6.873 6.873 7.271 -0.398 25791 7217 1 19 . 1 1 17 17 VAL N N 17 117.150 117.150 118.654 -1.504 25791 7218 1 19 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.676 0.038 25791 7219 1 19 . 1 1 17 17 VAL C C 17 178.537 178.537 177.326 1.211 25791 7220 1 19 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.162 1.346 25791 7221 1 19 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.477 0.217 25791 7222 1 19 . 1 1 17 17 VAL H H 17 8.162 8.162 8.448 -0.286 25791 7223 1 19 . 1 1 18 18 GLN N N 18 119.489 119.489 119.677 -0.188 25791 7224 1 19 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.023 0.034 25791 7225 1 19 . 1 1 18 18 GLN C C 18 180.429 180.429 178.832 1.597 25791 7226 1 19 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.307 0.392 25791 7227 1 19 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.362 0.824 25791 7228 1 19 . 1 1 18 18 GLN H H 18 8.451 8.451 7.847 0.604 25791 7229 1 19 . 1 1 19 19 PHE N N 19 117.940 117.940 119.190 -1.250 25791 7230 1 19 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.472 0.358 25791 7231 1 19 . 1 1 19 19 PHE C C 19 177.858 177.858 178.270 -0.412 25791 7232 1 19 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.563 -1.534 25791 7233 1 19 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.247 -2.342 25791 7234 1 19 . 1 1 19 19 PHE H H 19 8.924 8.924 8.656 0.268 25791 7235 1 19 . 1 1 20 20 GLN N N 20 120.297 120.297 119.395 0.902 25791 7236 1 19 . 1 1 20 20 GLN HA H 20 4.106 4.106 4.000 0.106 25791 7237 1 19 . 1 1 20 20 GLN C C 20 178.986 178.986 178.764 0.222 25791 7238 1 19 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.654 -0.091 25791 7239 1 19 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.583 -0.688 25791 7240 1 19 . 1 1 20 20 GLN H H 20 8.264 8.264 8.517 -0.253 25791 7241 1 19 . 1 1 21 21 GLN N N 21 118.595 118.595 119.116 -0.521 25791 7242 1 19 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.076 0.006 25791 7243 1 19 . 1 1 21 21 GLN C C 21 178.806 178.806 178.595 0.211 25791 7244 1 19 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.958 0.212 25791 7245 1 19 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.881 -0.685 25791 7246 1 19 . 1 1 21 21 GLN H H 21 8.527 8.527 8.317 0.210 25791 7247 1 19 . 1 1 22 22 TYR N N 22 119.594 119.594 121.686 -2.092 25791 7248 1 19 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.347 -0.100 25791 7249 1 19 . 1 1 22 22 TYR C C 22 177.789 177.789 177.284 0.505 25791 7250 1 19 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.069 1.643 25791 7251 1 19 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.443 0.281 25791 7252 1 19 . 1 1 22 22 TYR H H 22 7.843 7.843 7.918 -0.075 25791 7253 1 19 . 1 1 23 23 ALA N N 23 120.663 120.663 121.406 -0.743 25791 7254 1 19 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.759 0.098 25791 7255 1 19 . 1 1 23 23 ALA C C 23 179.319 179.319 178.736 0.583 25791 7256 1 19 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.937 0.652 25791 7257 1 19 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.184 0.298 25791 7258 1 19 . 1 1 23 23 ALA H H 23 8.612 8.612 8.584 0.028 25791 7259 1 19 . 1 1 24 24 ALA N N 24 119.002 119.002 121.088 -2.086 25791 7260 1 19 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.057 -0.119 25791 7261 1 19 . 1 1 24 24 ALA C C 24 178.987 178.987 179.515 -0.528 25791 7262 1 19 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.060 0.257 25791 7263 1 19 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.453 -0.562 25791 7264 1 19 . 1 1 24 24 ALA H H 24 8.168 8.168 8.116 0.052 25791 7265 1 19 . 1 1 25 25 GLN N N 25 115.599 115.599 117.617 -2.018 25791 7266 1 19 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.007 -0.003 25791 7267 1 19 . 1 1 25 25 GLN C C 25 177.818 177.818 178.011 -0.193 25791 7268 1 19 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.131 -0.677 25791 7269 1 19 . 1 1 25 25 GLN CB C 25 28.455 28.455 29.061 -0.606 25791 7270 1 19 . 1 1 25 25 GLN H H 25 7.300 7.300 7.789 -0.489 25791 7271 1 19 . 1 1 26 26 GLN N N 26 116.989 116.989 116.227 0.762 25791 7272 1 19 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.884 -0.180 25791 7273 1 19 . 1 1 26 26 GLN C C 26 175.979 175.979 175.959 0.020 25791 7274 1 19 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.841 -0.053 25791 7275 1 19 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.731 -0.651 25791 7276 1 19 . 1 1 26 26 GLN H H 26 7.401 7.401 7.306 0.095 25791 7277 1 19 . 1 1 27 27 TYR N N 27 114.712 114.712 117.960 -3.248 25791 7278 1 19 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.883 0.195 25791 7279 1 19 . 1 1 27 27 TYR C C 27 172.931 172.931 173.653 -0.722 25791 7280 1 19 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.670 0.497 25791 7281 1 19 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.289 1.371 25791 7282 1 19 . 1 1 27 27 TYR H H 27 7.675 7.675 8.091 -0.416 25791 7283 1 19 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.399 -0.037 25791 7284 1 19 . 1 1 28 28 PRO C C 28 179.333 179.333 178.133 1.200 25791 7285 1 19 . 1 1 28 28 PRO CA C 28 64.394 64.394 64.081 0.313 25791 7286 1 19 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.627 -1.373 25791 7287 1 19 . 1 1 29 29 GLY N N 29 110.091 110.091 112.720 -2.629 25791 7288 1 19 . 1 1 29 29 GLY C C 29 173.218 173.218 174.731 -1.513 25791 7289 1 19 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.323 0.589 25791 7290 1 19 . 1 1 29 29 GLY H H 29 8.826 8.826 8.763 0.063 25791 7291 1 19 . 1 1 30 30 ASN N N 30 118.603 118.603 123.158 -4.555 25791 7292 1 19 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.976 0.023 25791 7293 1 19 . 1 1 30 30 ASN C C 30 173.977 173.977 175.275 -1.298 25791 7294 1 19 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.443 -0.258 25791 7295 1 19 . 1 1 30 30 ASN CB C 30 38.426 38.426 37.342 1.084 25791 7296 1 19 . 1 1 30 30 ASN H H 30 7.293 7.293 7.760 -0.467 25791 7297 1 19 . 1 1 31 31 TYR N N 31 125.240 125.240 123.493 1.747 25791 7298 1 19 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.074 -0.176 25791 7299 1 19 . 1 1 31 31 TYR C C 31 177.343 177.343 176.858 0.485 25791 7300 1 19 . 1 1 31 31 TYR CA C 31 61.811 61.811 61.951 -0.140 25791 7301 1 19 . 1 1 31 31 TYR CB C 31 38.357 38.357 37.442 0.915 25791 7302 1 19 . 1 1 31 31 TYR H H 31 8.509 8.509 7.955 0.553 25791 7303 1 19 . 1 1 32 32 GLU N N 32 118.993 118.993 118.119 0.874 25791 7304 1 19 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.607 0.293 25791 7305 1 19 . 1 1 32 32 GLU C C 32 179.549 179.549 178.529 1.020 25791 7306 1 19 . 1 1 32 32 GLU CA C 32 60.112 60.112 58.949 1.163 25791 7307 1 19 . 1 1 32 32 GLU CB C 32 29.168 29.168 27.551 1.617 25791 7308 1 19 . 1 1 32 32 GLU H H 32 8.714 8.714 7.645 1.069 25791 7309 1 19 . 1 1 33 33 GLN N N 33 117.037 117.037 118.716 -1.679 25791 7310 1 19 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.823 -0.090 25791 7311 1 19 . 1 1 33 33 GLN C C 33 179.119 179.119 178.568 0.551 25791 7312 1 19 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.208 -0.506 25791 7313 1 19 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.515 0.111 25791 7314 1 19 . 1 1 33 33 GLN H H 33 7.536 7.536 8.144 -0.608 25791 7315 1 19 . 1 1 34 34 GLN N N 34 117.723 117.723 119.671 -1.948 25791 7316 1 19 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.057 -0.246 25791 7317 1 19 . 1 1 34 34 GLN C C 34 177.634 177.634 178.632 -0.998 25791 7318 1 19 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.434 0.731 25791 7319 1 19 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.613 -1.113 25791 7320 1 19 . 1 1 34 34 GLN H H 34 7.968 7.968 8.380 -0.412 25791 7321 1 19 . 1 1 35 35 GLN N N 35 115.293 115.293 118.965 -3.672 25791 7322 1 19 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.104 -0.313 25791 7323 1 19 . 1 1 35 35 GLN C C 35 178.757 178.757 178.669 0.088 25791 7324 1 19 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.573 0.037 25791 7325 1 19 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.418 -0.213 25791 7326 1 19 . 1 1 35 35 GLN H H 35 7.870 7.870 8.165 -0.295 25791 7327 1 19 . 1 1 36 36 ILE N N 36 120.769 120.769 120.520 0.249 25791 7328 1 19 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.650 -0.086 25791 7329 1 19 . 1 1 36 36 ILE C C 36 178.273 178.273 178.212 0.061 25791 7330 1 19 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.219 0.017 25791 7331 1 19 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.662 0.711 25791 7332 1 19 . 1 1 36 36 ILE H H 36 7.503 7.503 7.993 -0.490 25791 7333 1 19 . 1 1 37 37 LEU N N 37 121.056 121.056 121.234 -0.178 25791 7334 1 19 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.080 0.229 25791 7335 1 19 . 1 1 37 37 LEU C C 37 178.348 178.348 178.201 0.147 25791 7336 1 19 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.702 0.032 25791 7337 1 19 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.769 -0.253 25791 7338 1 19 . 1 1 37 37 LEU H H 37 7.678 7.678 7.797 -0.119 25791 7339 1 19 . 1 1 38 38 ILE N N 38 119.334 119.334 120.069 -0.735 25791 7340 1 19 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.428 -0.087 25791 7341 1 19 . 1 1 38 38 ILE C C 38 177.371 177.371 177.903 -0.532 25791 7342 1 19 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.705 1.380 25791 7343 1 19 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.542 0.806 25791 7344 1 19 . 1 1 38 38 ILE H H 38 8.702 8.702 8.332 0.370 25791 7345 1 19 . 1 1 39 39 ARG N N 39 117.798 117.798 119.696 -1.898 25791 7346 1 19 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.154 0.061 25791 7347 1 19 . 1 1 39 39 ARG C C 39 179.555 179.555 179.202 0.353 25791 7348 1 19 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.998 -0.539 25791 7349 1 19 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.939 -0.188 25791 7350 1 19 . 1 1 39 39 ARG H H 39 7.739 7.739 8.428 -0.689 25791 7351 1 19 . 1 1 40 40 GLN N N 40 119.432 119.432 119.048 0.384 25791 7352 1 19 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.050 0.087 25791 7353 1 19 . 1 1 40 40 GLN C C 40 179.522 179.522 178.607 0.915 25791 7354 1 19 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.886 0.374 25791 7355 1 19 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.606 -0.248 25791 7356 1 19 . 1 1 40 40 GLN H H 40 7.811 7.811 7.546 0.265 25791 7357 1 19 . 1 1 41 41 LEU N N 41 121.592 121.592 120.530 1.062 25791 7358 1 19 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.796 -0.109 25791 7359 1 19 . 1 1 41 41 LEU C C 41 178.974 178.974 178.976 -0.002 25791 7360 1 19 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.416 0.547 25791 7361 1 19 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.562 -0.710 25791 7362 1 19 . 1 1 41 41 LEU H H 41 8.648 8.648 8.073 0.575 25791 7363 1 19 . 1 1 42 42 GLN N N 42 119.054 119.054 118.654 0.400 25791 7364 1 19 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.257 0.287 25791 7365 1 19 . 1 1 42 42 GLN C C 42 180.176 180.176 178.761 1.415 25791 7366 1 19 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.370 -0.136 25791 7367 1 19 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.808 -0.888 25791 7368 1 19 . 1 1 42 42 GLN H H 42 8.641 8.641 8.506 0.135 25791 7369 1 19 . 1 1 43 43 GLU N N 43 121.517 121.517 121.299 0.218 25791 7370 1 19 . 1 1 43 43 GLU HA H 43 4.236 4.236 3.999 0.237 25791 7371 1 19 . 1 1 43 43 GLU C C 43 179.721 179.721 178.999 0.722 25791 7372 1 19 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.803 -0.136 25791 7373 1 19 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.510 -0.252 25791 7374 1 19 . 1 1 43 43 GLU H H 43 8.111 8.111 8.284 -0.173 25791 7375 1 19 . 1 1 44 44 GLN N N 44 119.240 119.240 118.361 0.879 25791 7376 1 19 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.222 -0.106 25791 7377 1 19 . 1 1 44 44 GLN C C 44 179.012 179.012 178.489 0.523 25791 7378 1 19 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.942 0.207 25791 7379 1 19 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.862 -0.008 25791 7380 1 19 . 1 1 44 44 GLN H H 44 8.372 8.372 8.263 0.109 25791 7381 1 19 . 1 1 45 45 HIS N N 45 121.705 121.705 120.743 0.962 25791 7382 1 19 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.290 -0.010 25791 7383 1 19 . 1 1 45 45 HIS C C 45 176.395 176.395 177.392 -0.997 25791 7384 1 19 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.119 1.240 25791 7385 1 19 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.548 1.777 25791 7386 1 19 . 1 1 45 45 HIS H H 45 9.472 9.472 8.283 1.189 25791 7387 1 19 . 1 1 46 46 TYR N N 46 119.039 119.039 120.252 -1.213 25791 7388 1 19 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.110 -0.261 25791 7389 1 19 . 1 1 46 46 TYR C C 46 176.664 176.664 177.999 -1.335 25791 7390 1 19 . 1 1 46 46 TYR CA C 46 62.251 62.251 62.007 0.244 25791 7391 1 19 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.511 -0.839 25791 7392 1 19 . 1 1 46 46 TYR H H 46 8.253 8.253 8.555 -0.302 25791 7393 1 19 . 1 1 47 47 GLN N N 47 116.407 116.407 118.306 -1.899 25791 7394 1 19 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.815 -0.031 25791 7395 1 19 . 1 1 47 47 GLN C C 47 179.048 179.048 178.385 0.663 25791 7396 1 19 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.368 -0.419 25791 7397 1 19 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.553 -0.372 25791 7398 1 19 . 1 1 47 47 GLN H H 47 7.814 7.814 8.627 -0.813 25791 7399 1 19 . 1 1 48 48 GLN N N 48 119.803 119.803 119.632 0.171 25791 7400 1 19 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.093 -0.116 25791 7401 1 19 . 1 1 48 48 GLN C C 48 177.741 177.741 178.240 -0.499 25791 7402 1 19 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.377 -0.062 25791 7403 1 19 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.406 -0.078 25791 7404 1 19 . 1 1 48 48 GLN H H 48 8.645 8.645 8.490 0.155 25791 7405 1 19 . 1 1 49 49 TYR N N 49 121.342 121.342 121.486 -0.144 25791 7406 1 19 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.165 -0.525 25791 7407 1 19 . 1 1 49 49 TYR C C 49 176.021 176.021 177.532 -1.511 25791 7408 1 19 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.210 0.899 25791 7409 1 19 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.217 0.690 25791 7410 1 19 . 1 1 49 49 TYR H H 49 9.105 9.105 8.486 0.619 25791 7411 1 19 . 1 1 50 50 MET N N 50 115.522 115.522 118.453 -2.931 25791 7412 1 19 . 1 1 50 50 MET HA H 50 4.040 4.040 3.552 0.488 25791 7413 1 19 . 1 1 50 50 MET C C 50 179.841 179.841 178.329 1.512 25791 7414 1 19 . 1 1 50 50 MET CA C 50 56.623 56.623 58.541 -1.918 25791 7415 1 19 . 1 1 50 50 MET CB C 50 30.099 30.099 32.156 -2.057 25791 7416 1 19 . 1 1 50 50 MET H H 50 8.060 8.060 8.296 -0.236 25791 7417 1 19 . 1 1 51 51 GLN N N 51 118.942 118.942 117.985 0.957 25791 7418 1 19 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.904 0.161 25791 7419 1 19 . 1 1 51 51 GLN C C 51 178.707 178.707 178.652 0.055 25791 7420 1 19 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.042 -0.101 25791 7421 1 19 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.156 0.333 25791 7422 1 19 . 1 1 51 51 GLN H H 51 7.830 7.830 8.139 -0.309 25791 7423 1 19 . 1 1 52 52 GLN N N 52 119.210 119.210 119.747 -0.537 25791 7424 1 19 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.145 -0.088 25791 7425 1 19 . 1 1 52 52 GLN C C 52 178.738 178.738 178.493 0.245 25791 7426 1 19 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.147 0.603 25791 7427 1 19 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.401 0.002 25791 7428 1 19 . 1 1 52 52 GLN H H 52 8.187 8.187 7.986 0.201 25791 7429 1 19 . 1 1 53 53 LEU N N 53 121.233 121.233 121.393 -0.160 25791 7430 1 19 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.915 -0.074 25791 7431 1 19 . 1 1 53 53 LEU C C 53 179.191 179.191 177.973 1.218 25791 7432 1 19 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.626 0.119 25791 7433 1 19 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.255 0.611 25791 7434 1 19 . 1 1 53 53 LEU H H 53 8.441 8.441 8.150 0.291 25791 7435 1 19 . 1 1 54 54 TYR N N 54 118.505 118.505 119.386 -0.881 25791 7436 1 19 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.853 0.465 25791 7437 1 19 . 1 1 54 54 TYR C C 54 177.535 177.535 177.547 -0.012 25791 7438 1 19 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.200 -1.723 25791 7439 1 19 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.284 -0.498 25791 7440 1 19 . 1 1 54 54 TYR H H 54 7.819 7.819 8.333 -0.514 25791 7441 1 19 . 1 1 55 55 GLN N N 55 117.299 117.299 117.737 -0.438 25791 7442 1 19 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.014 -0.115 25791 7443 1 19 . 1 1 55 55 GLN C C 55 179.041 179.041 178.490 0.551 25791 7444 1 19 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.946 -0.237 25791 7445 1 19 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.696 -0.481 25791 7446 1 19 . 1 1 55 55 GLN H H 55 7.735 7.735 7.680 0.055 25791 7447 1 19 . 1 1 56 56 VAL N N 56 120.879 120.879 120.201 0.678 25791 7448 1 19 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.649 0.143 25791 7449 1 19 . 1 1 56 56 VAL C C 56 178.262 178.262 178.110 0.152 25791 7450 1 19 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.338 -0.396 25791 7451 1 19 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.331 0.548 25791 7452 1 19 . 1 1 56 56 VAL H H 56 8.014 8.014 7.563 0.451 25791 7453 1 19 . 1 1 57 57 GLN N N 57 120.513 120.513 119.307 1.206 25791 7454 1 19 . 1 1 57 57 GLN HA H 57 4.060 4.060 4.031 0.029 25791 7455 1 19 . 1 1 57 57 GLN C C 57 178.772 178.772 178.403 0.369 25791 7456 1 19 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.425 0.191 25791 7457 1 19 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.822 0.163 25791 7458 1 19 . 1 1 57 57 GLN H H 57 8.103 8.103 8.279 -0.176 25791 7459 1 19 . 1 1 58 58 LEU N N 58 121.244 121.244 122.178 -0.934 25791 7460 1 19 . 1 1 58 58 LEU HA H 58 4.005 4.005 4.052 -0.047 25791 7461 1 19 . 1 1 58 58 LEU C C 58 179.134 179.134 178.404 0.730 25791 7462 1 19 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.009 0.497 25791 7463 1 19 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.062 0.741 25791 7464 1 19 . 1 1 58 58 LEU H H 58 8.176 8.176 8.163 0.013 25791 7465 1 19 . 1 1 59 59 ALA N N 59 121.608 121.608 121.771 -0.163 25791 7466 1 19 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.946 0.219 25791 7467 1 19 . 1 1 59 59 ALA C C 59 180.497 180.497 179.924 0.573 25791 7468 1 19 . 1 1 59 59 ALA CA C 59 54.582 54.582 54.945 -0.363 25791 7469 1 19 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.352 -0.299 25791 7470 1 19 . 1 1 59 59 ALA H H 59 7.833 7.833 8.191 -0.358 25791 7471 1 19 . 1 1 60 60 GLN N N 60 118.335 118.335 117.258 1.077 25791 7472 1 19 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.993 0.155 25791 7473 1 19 . 1 1 60 60 GLN C C 60 178.334 178.334 178.466 -0.132 25791 7474 1 19 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.341 -0.364 25791 7475 1 19 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.196 0.239 25791 7476 1 19 . 1 1 60 60 GLN H H 60 8.081 8.081 7.902 0.179 25791 7477 1 19 . 1 1 61 61 GLN N N 61 120.206 120.206 120.608 -0.402 25791 7478 1 19 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.921 0.241 25791 7479 1 19 . 1 1 61 61 GLN C C 61 178.002 178.002 178.366 -0.364 25791 7480 1 19 . 1 1 61 61 GLN CA C 61 57.905 57.905 59.081 -1.177 25791 7481 1 19 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.520 0.059 25791 7482 1 19 . 1 1 61 61 GLN H H 61 8.111 8.111 8.152 -0.041 25791 7483 1 19 . 1 1 62 62 GLN N N 62 118.980 118.980 118.806 0.174 25791 7484 1 19 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.026 0.103 25791 7485 1 19 . 1 1 62 62 GLN C C 62 177.624 177.624 178.500 -0.876 25791 7486 1 19 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.781 -1.145 25791 7487 1 19 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.627 0.010 25791 7488 1 19 . 1 1 62 62 GLN H H 62 8.203 8.203 8.542 -0.339 25791 7489 1 19 . 1 1 63 63 ALA N N 63 122.712 122.712 121.961 0.751 25791 7490 1 19 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.141 0.065 25791 7491 1 19 . 1 1 63 63 ALA C C 63 178.922 178.922 178.692 0.230 25791 7492 1 19 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.441 -0.545 25791 7493 1 19 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.248 0.211 25791 7494 1 19 . 1 1 63 63 ALA H H 63 8.004 8.004 7.856 0.148 25791 7495 1 19 . 1 1 64 64 ALA N N 64 120.813 120.813 120.944 -0.131 25791 7496 1 19 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.152 0.080 25791 7497 1 19 . 1 1 64 64 ALA C C 64 178.732 178.732 178.964 -0.232 25791 7498 1 19 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.032 -0.516 25791 7499 1 19 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.203 -0.573 25791 7500 1 19 . 1 1 64 64 ALA H H 64 7.837 7.837 7.736 0.101 25791 7501 1 19 . 1 1 65 65 LEU N N 65 119.196 119.196 119.401 -0.205 25791 7502 1 19 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.157 0.100 25791 7503 1 19 . 1 1 65 65 LEU C C 65 178.038 178.038 178.015 0.023 25791 7504 1 19 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.745 -0.923 25791 7505 1 19 . 1 1 65 65 LEU CB C 65 42.264 42.264 41.989 0.275 25791 7506 1 19 . 1 1 65 65 LEU H H 65 7.765 7.765 8.364 -0.599 25791 7507 1 19 . 1 1 66 66 GLN N N 66 119.365 119.365 114.187 5.178 25791 7508 1 19 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.873 0.402 25791 7509 1 19 . 1 1 66 66 GLN C C 66 176.120 176.120 175.685 0.435 25791 7510 1 19 . 1 1 66 66 GLN CA C 66 56.067 56.067 57.256 -1.189 25791 7511 1 19 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.997 2.135 25791 7512 1 19 . 1 1 66 66 GLN H H 66 7.967 7.967 8.238 -0.271 25791 7513 1 19 . 1 1 67 67 LYS N N 67 121.521 121.521 116.765 4.756 25791 7514 1 19 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.356 -0.047 25791 7515 1 19 . 1 1 67 67 LYS C C 67 176.437 176.437 175.158 1.279 25791 7516 1 19 . 1 1 67 67 LYS CA C 67 56.389 56.389 56.242 0.147 25791 7517 1 19 . 1 1 67 67 LYS CB C 67 33.041 33.041 33.613 -0.572 25791 7518 1 19 . 1 1 67 67 LYS H H 67 8.053 8.053 7.987 0.066 25791 7519 1 19 . 1 1 68 68 GLN N N 68 121.970 121.970 119.297 2.673 25791 7520 1 19 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.493 -0.154 25791 7521 1 19 . 1 1 68 68 GLN C C 68 175.120 175.120 174.528 0.592 25791 7522 1 19 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.682 0.318 25791 7523 1 19 . 1 1 68 68 GLN CB C 68 29.498 29.498 28.966 0.532 25791 7524 1 19 . 1 1 68 68 GLN H H 68 8.314 8.314 8.109 0.205 25791 7525 1 20 . 1 1 2 2 GLN HA H 2 4.447 4.447 3.978 0.469 25791 7526 1 20 . 1 1 2 2 GLN C C 2 176.144 176.144 176.044 0.100 25791 7527 1 20 . 1 1 2 2 GLN CA C 2 56.209 56.209 56.641 -0.432 25791 7528 1 20 . 1 1 2 2 GLN CB C 2 29.459 29.459 27.650 1.809 25791 7529 1 20 . 1 1 3 3 GLN N N 3 122.052 122.052 119.225 2.827 25791 7530 1 20 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.263 0.060 25791 7531 1 20 . 1 1 3 3 GLN C C 3 176.988 176.988 178.322 -1.334 25791 7532 1 20 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.173 -0.770 25791 7533 1 20 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.520 0.719 25791 7534 1 20 . 1 1 3 3 GLN H H 3 8.780 8.780 8.686 0.094 25791 7535 1 20 . 1 1 4 4 LYS N N 4 121.855 121.855 118.816 3.039 25791 7536 1 20 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.131 -0.127 25791 7537 1 20 . 1 1 4 4 LYS C C 4 177.638 177.638 178.459 -0.821 25791 7538 1 20 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.023 1.216 25791 7539 1 20 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.031 0.668 25791 7540 1 20 . 1 1 4 4 LYS H H 4 8.528 8.528 8.300 0.228 25791 7541 1 20 . 1 1 5 5 GLN N N 5 116.397 116.397 118.813 -2.416 25791 7542 1 20 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.954 -0.013 25791 7543 1 20 . 1 1 5 5 GLN C C 5 178.761 178.761 178.475 0.286 25791 7544 1 20 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.737 0.612 25791 7545 1 20 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.246 -0.296 25791 7546 1 20 . 1 1 5 5 GLN H H 5 8.223 8.223 7.748 0.475 25791 7547 1 20 . 1 1 6 6 GLN N N 6 119.262 119.262 118.389 0.873 25791 7548 1 20 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.084 0.044 25791 7549 1 20 . 1 1 6 6 GLN C C 6 179.018 179.018 178.477 0.541 25791 7550 1 20 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.609 0.480 25791 7551 1 20 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.090 0.620 25791 7552 1 20 . 1 1 6 6 GLN H H 6 7.848 7.848 7.696 0.152 25791 7553 1 20 . 1 1 7 7 ILE N N 7 121.296 121.296 121.193 0.103 25791 7554 1 20 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.830 -0.247 25791 7555 1 20 . 1 1 7 7 ILE C C 7 177.833 177.833 178.106 -0.273 25791 7556 1 20 . 1 1 7 7 ILE CA C 7 65.129 65.129 62.803 2.326 25791 7557 1 20 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.100 1.106 25791 7558 1 20 . 1 1 7 7 ILE H H 7 8.095 8.095 7.304 0.791 25791 7559 1 20 . 1 1 8 8 MET N N 8 117.603 117.603 119.012 -1.409 25791 7560 1 20 . 1 1 8 8 MET HA H 8 3.985 3.985 4.065 -0.080 25791 7561 1 20 . 1 1 8 8 MET C C 8 177.355 177.355 178.575 -1.220 25791 7562 1 20 . 1 1 8 8 MET CA C 8 59.932 59.932 59.560 0.372 25791 7563 1 20 . 1 1 8 8 MET CB C 8 32.721 32.721 32.087 0.634 25791 7564 1 20 . 1 1 8 8 MET H H 8 8.672 8.672 8.373 0.299 25791 7565 1 20 . 1 1 9 9 ALA N N 9 118.774 118.774 121.515 -2.741 25791 7566 1 20 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.018 0.028 25791 7567 1 20 . 1 1 9 9 ALA C C 9 180.546 180.546 179.257 1.289 25791 7568 1 20 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.258 0.126 25791 7569 1 20 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.887 0.011 25791 7570 1 20 . 1 1 9 9 ALA H H 9 7.795 7.795 8.629 -0.834 25791 7571 1 20 . 1 1 10 10 ALA N N 10 120.854 120.854 121.842 -0.988 25791 7572 1 20 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.083 0.122 25791 7573 1 20 . 1 1 10 10 ALA C C 10 181.200 181.200 179.414 1.786 25791 7574 1 20 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.658 0.354 25791 7575 1 20 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.445 0.816 25791 7576 1 20 . 1 1 10 10 ALA H H 10 7.438 7.438 7.595 -0.157 25791 7577 1 20 . 1 1 11 11 LEU N N 11 120.775 120.775 118.869 1.906 25791 7578 1 20 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.823 -0.075 25791 7579 1 20 . 1 1 11 11 LEU C C 11 179.041 179.041 179.327 -0.286 25791 7580 1 20 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.787 0.559 25791 7581 1 20 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.279 -1.302 25791 7582 1 20 . 1 1 11 11 LEU H H 11 8.757 8.757 8.540 0.217 25791 7583 1 20 . 1 1 12 12 ASN N N 12 116.313 116.313 118.088 -1.775 25791 7584 1 20 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.669 -0.105 25791 7585 1 20 . 1 1 12 12 ASN C C 12 178.900 178.900 177.865 1.035 25791 7586 1 20 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.683 -1.618 25791 7587 1 20 . 1 1 12 12 ASN CB C 12 36.993 36.993 37.838 -0.845 25791 7588 1 20 . 1 1 12 12 ASN H H 12 8.850 8.850 8.680 0.170 25791 7589 1 20 . 1 1 13 13 SER N N 13 114.747 114.747 116.325 -1.578 25791 7590 1 20 . 1 1 13 13 SER HA H 13 4.370 4.370 4.191 0.179 25791 7591 1 20 . 1 1 13 13 SER C C 13 176.515 176.515 176.770 -0.255 25791 7592 1 20 . 1 1 13 13 SER CA C 13 61.141 61.141 61.861 -0.721 25791 7593 1 20 . 1 1 13 13 SER CB C 13 63.044 63.044 63.127 -0.083 25791 7594 1 20 . 1 1 13 13 SER H H 13 7.672 7.672 8.095 -0.423 25791 7595 1 20 . 1 1 14 14 GLN N N 14 119.954 119.954 118.706 1.248 25791 7596 1 20 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.173 0.045 25791 7597 1 20 . 1 1 14 14 GLN C C 14 178.208 178.208 177.260 0.948 25791 7598 1 20 . 1 1 14 14 GLN CA C 14 57.749 57.749 58.155 -0.406 25791 7599 1 20 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.683 0.017 25791 7600 1 20 . 1 1 14 14 GLN H H 14 7.573 7.573 7.827 -0.254 25791 7601 1 20 . 1 1 15 15 THR N N 15 107.493 107.493 107.922 -0.429 25791 7602 1 20 . 1 1 15 15 THR HA H 15 3.899 3.899 4.366 -0.467 25791 7603 1 20 . 1 1 15 15 THR C C 15 174.683 174.683 174.529 0.154 25791 7604 1 20 . 1 1 15 15 THR CA C 15 61.551 61.551 60.284 1.267 25791 7605 1 20 . 1 1 15 15 THR CB C 15 69.226 69.226 69.154 0.072 25791 7606 1 20 . 1 1 15 15 THR H H 15 7.741 7.741 7.433 0.308 25791 7607 1 20 . 1 1 16 16 ALA N N 16 124.034 124.034 125.970 -1.936 25791 7608 1 20 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.062 0.073 25791 7609 1 20 . 1 1 16 16 ALA C C 16 179.899 179.899 178.604 1.295 25791 7610 1 20 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.600 0.607 25791 7611 1 20 . 1 1 16 16 ALA CB C 16 18.724 18.724 17.916 0.808 25791 7612 1 20 . 1 1 16 16 ALA H H 16 6.873 6.873 7.369 -0.496 25791 7613 1 20 . 1 1 17 17 VAL N N 17 117.150 117.150 117.869 -0.719 25791 7614 1 20 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.770 -0.056 25791 7615 1 20 . 1 1 17 17 VAL C C 17 178.537 178.537 177.447 1.090 25791 7616 1 20 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.173 1.335 25791 7617 1 20 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.285 0.408 25791 7618 1 20 . 1 1 17 17 VAL H H 17 8.162 8.162 8.427 -0.265 25791 7619 1 20 . 1 1 18 18 GLN N N 18 119.489 119.489 119.570 -0.081 25791 7620 1 20 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.004 0.053 25791 7621 1 20 . 1 1 18 18 GLN C C 18 180.429 180.429 178.964 1.465 25791 7622 1 20 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.251 0.448 25791 7623 1 20 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.385 0.801 25791 7624 1 20 . 1 1 18 18 GLN H H 18 8.451 8.451 8.005 0.446 25791 7625 1 20 . 1 1 19 19 PHE N N 19 117.940 117.940 118.960 -1.020 25791 7626 1 20 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.451 0.379 25791 7627 1 20 . 1 1 19 19 PHE C C 19 177.858 177.858 178.260 -0.402 25791 7628 1 20 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.713 -1.684 25791 7629 1 20 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.258 -2.353 25791 7630 1 20 . 1 1 19 19 PHE H H 19 8.924 8.924 8.700 0.224 25791 7631 1 20 . 1 1 20 20 GLN N N 20 120.297 120.297 119.291 1.006 25791 7632 1 20 . 1 1 20 20 GLN HA H 20 4.106 4.106 4.091 0.015 25791 7633 1 20 . 1 1 20 20 GLN C C 20 178.986 178.986 178.795 0.191 25791 7634 1 20 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.480 0.083 25791 7635 1 20 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.597 -0.702 25791 7636 1 20 . 1 1 20 20 GLN H H 20 8.264 8.264 8.384 -0.120 25791 7637 1 20 . 1 1 21 21 GLN N N 21 118.595 118.595 118.998 -0.403 25791 7638 1 20 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.111 -0.029 25791 7639 1 20 . 1 1 21 21 GLN C C 21 178.806 178.806 178.497 0.309 25791 7640 1 20 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.561 0.609 25791 7641 1 20 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.426 -0.230 25791 7642 1 20 . 1 1 21 21 GLN H H 21 8.527 8.527 8.469 0.058 25791 7643 1 20 . 1 1 22 22 TYR N N 22 119.594 119.594 121.557 -1.963 25791 7644 1 20 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.247 -0.000 25791 7645 1 20 . 1 1 22 22 TYR C C 22 177.789 177.789 177.308 0.481 25791 7646 1 20 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.516 1.196 25791 7647 1 20 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.315 0.409 25791 7648 1 20 . 1 1 22 22 TYR H H 22 7.843 7.843 7.886 -0.043 25791 7649 1 20 . 1 1 23 23 ALA N N 23 120.663 120.663 121.156 -0.493 25791 7650 1 20 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.850 0.007 25791 7651 1 20 . 1 1 23 23 ALA C C 23 179.319 179.319 178.800 0.519 25791 7652 1 20 . 1 1 23 23 ALA CA C 23 55.589 55.589 55.021 0.568 25791 7653 1 20 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.199 0.283 25791 7654 1 20 . 1 1 23 23 ALA H H 23 8.612 8.612 8.690 -0.078 25791 7655 1 20 . 1 1 24 24 ALA N N 24 119.002 119.002 120.903 -1.901 25791 7656 1 20 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.108 -0.170 25791 7657 1 20 . 1 1 24 24 ALA C C 24 178.987 178.987 178.851 0.136 25791 7658 1 20 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.326 -0.009 25791 7659 1 20 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.808 -0.917 25791 7660 1 20 . 1 1 24 24 ALA H H 24 8.168 8.168 7.922 0.246 25791 7661 1 20 . 1 1 25 25 GLN N N 25 115.599 115.599 116.329 -0.730 25791 7662 1 20 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.039 -0.035 25791 7663 1 20 . 1 1 25 25 GLN C C 25 177.818 177.818 177.980 -0.162 25791 7664 1 20 . 1 1 25 25 GLN CA C 25 57.454 57.454 57.805 -0.351 25791 7665 1 20 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.727 -0.272 25791 7666 1 20 . 1 1 25 25 GLN H H 25 7.300 7.300 7.674 -0.374 25791 7667 1 20 . 1 1 26 26 GLN N N 26 116.989 116.989 117.254 -0.265 25791 7668 1 20 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.880 -0.176 25791 7669 1 20 . 1 1 26 26 GLN C C 26 175.979 175.979 175.756 0.223 25791 7670 1 20 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.665 0.123 25791 7671 1 20 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.682 -0.602 25791 7672 1 20 . 1 1 26 26 GLN H H 26 7.401 7.401 7.466 -0.065 25791 7673 1 20 . 1 1 27 27 TYR N N 27 114.712 114.712 117.975 -3.263 25791 7674 1 20 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.876 0.202 25791 7675 1 20 . 1 1 27 27 TYR C C 27 172.931 172.931 173.670 -0.739 25791 7676 1 20 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.658 0.509 25791 7677 1 20 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.374 1.286 25791 7678 1 20 . 1 1 27 27 TYR H H 27 7.675 7.675 8.029 -0.354 25791 7679 1 20 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.383 -0.021 25791 7680 1 20 . 1 1 28 28 PRO C C 28 179.333 179.333 178.083 1.250 25791 7681 1 20 . 1 1 28 28 PRO CA C 28 64.394 64.394 63.628 0.766 25791 7682 1 20 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.291 -1.037 25791 7683 1 20 . 1 1 29 29 GLY N N 29 110.091 110.091 113.107 -3.016 25791 7684 1 20 . 1 1 29 29 GLY C C 29 173.218 173.218 174.510 -1.292 25791 7685 1 20 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.699 0.213 25791 7686 1 20 . 1 1 29 29 GLY H H 29 8.826 8.826 8.780 0.046 25791 7687 1 20 . 1 1 30 30 ASN N N 30 118.603 118.603 122.146 -3.543 25791 7688 1 20 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.855 0.144 25791 7689 1 20 . 1 1 30 30 ASN C C 30 173.977 173.977 175.647 -1.670 25791 7690 1 20 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.569 -0.384 25791 7691 1 20 . 1 1 30 30 ASN CB C 30 38.426 38.426 36.955 1.471 25791 7692 1 20 . 1 1 30 30 ASN H H 30 7.293 7.293 7.573 -0.280 25791 7693 1 20 . 1 1 31 31 TYR N N 31 125.240 125.240 121.787 3.453 25791 7694 1 20 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.195 -0.297 25791 7695 1 20 . 1 1 31 31 TYR C C 31 177.343 177.343 177.042 0.301 25791 7696 1 20 . 1 1 31 31 TYR CA C 31 61.811 61.811 60.807 1.004 25791 7697 1 20 . 1 1 31 31 TYR CB C 31 38.357 38.357 37.467 0.890 25791 7698 1 20 . 1 1 31 31 TYR H H 31 8.509 8.509 7.801 0.708 25791 7699 1 20 . 1 1 32 32 GLU N N 32 118.993 118.993 119.595 -0.602 25791 7700 1 20 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.921 -0.021 25791 7701 1 20 . 1 1 32 32 GLU C C 32 179.549 179.549 178.669 0.880 25791 7702 1 20 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.497 0.615 25791 7703 1 20 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.627 0.541 25791 7704 1 20 . 1 1 32 32 GLU H H 32 8.714 8.714 7.823 0.891 25791 7705 1 20 . 1 1 33 33 GLN N N 33 117.037 117.037 118.094 -1.057 25791 7706 1 20 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.800 -0.067 25791 7707 1 20 . 1 1 33 33 GLN C C 33 179.119 179.119 178.564 0.555 25791 7708 1 20 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.425 -0.723 25791 7709 1 20 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.611 0.015 25791 7710 1 20 . 1 1 33 33 GLN H H 33 7.536 7.536 8.204 -0.668 25791 7711 1 20 . 1 1 34 34 GLN N N 34 117.723 117.723 119.463 -1.740 25791 7712 1 20 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.068 -0.257 25791 7713 1 20 . 1 1 34 34 GLN C C 34 177.634 177.634 178.673 -1.039 25791 7714 1 20 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.423 0.742 25791 7715 1 20 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.617 -1.116 25791 7716 1 20 . 1 1 34 34 GLN H H 34 7.968 7.968 8.391 -0.423 25791 7717 1 20 . 1 1 35 35 GLN N N 35 115.293 115.293 119.001 -3.708 25791 7718 1 20 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.123 -0.332 25791 7719 1 20 . 1 1 35 35 GLN C C 35 178.757 178.757 178.681 0.076 25791 7720 1 20 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.620 -0.010 25791 7721 1 20 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.558 -0.353 25791 7722 1 20 . 1 1 35 35 GLN H H 35 7.870 7.870 8.034 -0.164 25791 7723 1 20 . 1 1 36 36 ILE N N 36 120.769 120.769 120.716 0.053 25791 7724 1 20 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.651 -0.087 25791 7725 1 20 . 1 1 36 36 ILE C C 36 178.273 178.273 178.133 0.140 25791 7726 1 20 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.277 -0.041 25791 7727 1 20 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.675 0.699 25791 7728 1 20 . 1 1 36 36 ILE H H 36 7.503 7.503 8.235 -0.732 25791 7729 1 20 . 1 1 37 37 LEU N N 37 121.056 121.056 121.187 -0.131 25791 7730 1 20 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.058 0.251 25791 7731 1 20 . 1 1 37 37 LEU C C 37 178.348 178.348 178.213 0.135 25791 7732 1 20 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.839 -0.105 25791 7733 1 20 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.754 -0.238 25791 7734 1 20 . 1 1 37 37 LEU H H 37 7.678 7.678 7.828 -0.150 25791 7735 1 20 . 1 1 38 38 ILE N N 38 119.334 119.334 119.652 -0.318 25791 7736 1 20 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.420 -0.079 25791 7737 1 20 . 1 1 38 38 ILE C C 38 177.371 177.371 177.854 -0.483 25791 7738 1 20 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.647 1.438 25791 7739 1 20 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.571 0.778 25791 7740 1 20 . 1 1 38 38 ILE H H 38 8.702 8.702 8.157 0.545 25791 7741 1 20 . 1 1 39 39 ARG N N 39 117.798 117.798 120.131 -2.333 25791 7742 1 20 . 1 1 39 39 ARG HA H 39 4.215 4.215 3.980 0.235 25791 7743 1 20 . 1 1 39 39 ARG C C 39 179.555 179.555 179.184 0.371 25791 7744 1 20 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.767 -0.308 25791 7745 1 20 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.918 -0.166 25791 7746 1 20 . 1 1 39 39 ARG H H 39 7.739 7.739 8.328 -0.589 25791 7747 1 20 . 1 1 40 40 GLN N N 40 119.432 119.432 118.425 1.007 25791 7748 1 20 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.086 0.051 25791 7749 1 20 . 1 1 40 40 GLN C C 40 179.522 179.522 178.642 0.880 25791 7750 1 20 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.368 0.892 25791 7751 1 20 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.216 0.142 25791 7752 1 20 . 1 1 40 40 GLN H H 40 7.811 7.811 7.599 0.212 25791 7753 1 20 . 1 1 41 41 LEU N N 41 121.592 121.592 120.761 0.831 25791 7754 1 20 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.817 -0.130 25791 7755 1 20 . 1 1 41 41 LEU C C 41 178.974 178.974 179.033 -0.059 25791 7756 1 20 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.415 0.548 25791 7757 1 20 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.757 -0.905 25791 7758 1 20 . 1 1 41 41 LEU H H 41 8.648 8.648 8.008 0.640 25791 7759 1 20 . 1 1 42 42 GLN N N 42 119.054 119.054 118.780 0.274 25791 7760 1 20 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.249 0.295 25791 7761 1 20 . 1 1 42 42 GLN C C 42 180.176 180.176 178.804 1.372 25791 7762 1 20 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.393 -0.159 25791 7763 1 20 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.802 -0.882 25791 7764 1 20 . 1 1 42 42 GLN H H 42 8.641 8.641 8.576 0.065 25791 7765 1 20 . 1 1 43 43 GLU N N 43 121.517 121.517 121.089 0.428 25791 7766 1 20 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.051 0.185 25791 7767 1 20 . 1 1 43 43 GLU C C 43 179.721 179.721 178.990 0.731 25791 7768 1 20 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.624 0.043 25791 7769 1 20 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.503 -0.246 25791 7770 1 20 . 1 1 43 43 GLU H H 43 8.111 8.111 8.082 0.029 25791 7771 1 20 . 1 1 44 44 GLN N N 44 119.240 119.240 118.218 1.022 25791 7772 1 20 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.029 0.087 25791 7773 1 20 . 1 1 44 44 GLN C C 44 179.012 179.012 178.360 0.652 25791 7774 1 20 . 1 1 44 44 GLN CA C 44 59.149 59.149 59.099 0.050 25791 7775 1 20 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.760 0.094 25791 7776 1 20 . 1 1 44 44 GLN H H 44 8.372 8.372 8.100 0.272 25791 7777 1 20 . 1 1 45 45 HIS N N 45 121.705 121.705 120.646 1.059 25791 7778 1 20 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.299 -0.019 25791 7779 1 20 . 1 1 45 45 HIS C C 45 176.395 176.395 177.309 -0.914 25791 7780 1 20 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.097 1.262 25791 7781 1 20 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.580 1.745 25791 7782 1 20 . 1 1 45 45 HIS H H 45 9.472 9.472 8.394 1.078 25791 7783 1 20 . 1 1 46 46 TYR N N 46 119.039 119.039 120.374 -1.335 25791 7784 1 20 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.055 -0.206 25791 7785 1 20 . 1 1 46 46 TYR C C 46 176.664 176.664 177.954 -1.290 25791 7786 1 20 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.997 0.254 25791 7787 1 20 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.403 -0.731 25791 7788 1 20 . 1 1 46 46 TYR H H 46 8.253 8.253 8.355 -0.102 25791 7789 1 20 . 1 1 47 47 GLN N N 47 116.407 116.407 118.004 -1.597 25791 7790 1 20 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.765 0.019 25791 7791 1 20 . 1 1 47 47 GLN C C 47 179.048 179.048 178.278 0.770 25791 7792 1 20 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.297 -0.348 25791 7793 1 20 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.490 -0.309 25791 7794 1 20 . 1 1 47 47 GLN H H 47 7.814 7.814 8.339 -0.525 25791 7795 1 20 . 1 1 48 48 GLN N N 48 119.803 119.803 119.897 -0.094 25791 7796 1 20 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.099 -0.122 25791 7797 1 20 . 1 1 48 48 GLN C C 48 177.741 177.741 178.196 -0.455 25791 7798 1 20 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.353 -0.039 25791 7799 1 20 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.430 -0.102 25791 7800 1 20 . 1 1 48 48 GLN H H 48 8.645 8.645 8.316 0.329 25791 7801 1 20 . 1 1 49 49 TYR N N 49 121.342 121.342 121.494 -0.152 25791 7802 1 20 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.188 -0.548 25791 7803 1 20 . 1 1 49 49 TYR C C 49 176.021 176.021 177.437 -1.416 25791 7804 1 20 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.324 0.785 25791 7805 1 20 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.147 0.760 25791 7806 1 20 . 1 1 49 49 TYR H H 49 9.105 9.105 8.576 0.529 25791 7807 1 20 . 1 1 50 50 MET N N 50 115.522 115.522 118.718 -3.196 25791 7808 1 20 . 1 1 50 50 MET HA H 50 4.040 4.040 3.520 0.520 25791 7809 1 20 . 1 1 50 50 MET C C 50 179.841 179.841 178.234 1.607 25791 7810 1 20 . 1 1 50 50 MET CA C 50 56.623 56.623 58.526 -1.903 25791 7811 1 20 . 1 1 50 50 MET CB C 50 30.099 30.099 32.154 -2.055 25791 7812 1 20 . 1 1 50 50 MET H H 50 8.060 8.060 8.326 -0.266 25791 7813 1 20 . 1 1 51 51 GLN N N 51 118.942 118.942 118.011 0.931 25791 7814 1 20 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.850 0.215 25791 7815 1 20 . 1 1 51 51 GLN C C 51 178.707 178.707 178.527 0.180 25791 7816 1 20 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.019 -0.078 25791 7817 1 20 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.502 -0.013 25791 7818 1 20 . 1 1 51 51 GLN H H 51 7.830 7.830 8.190 -0.360 25791 7819 1 20 . 1 1 52 52 GLN N N 52 119.210 119.210 119.858 -0.648 25791 7820 1 20 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.084 -0.027 25791 7821 1 20 . 1 1 52 52 GLN C C 52 178.738 178.738 178.495 0.243 25791 7822 1 20 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.658 0.091 25791 7823 1 20 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.905 -0.502 25791 7824 1 20 . 1 1 52 52 GLN H H 52 8.187 8.187 8.087 0.100 25791 7825 1 20 . 1 1 53 53 LEU N N 53 121.233 121.233 121.459 -0.226 25791 7826 1 20 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.829 0.012 25791 7827 1 20 . 1 1 53 53 LEU C C 53 179.191 179.191 178.000 1.191 25791 7828 1 20 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.802 -0.057 25791 7829 1 20 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.236 0.631 25791 7830 1 20 . 1 1 53 53 LEU H H 53 8.441 8.441 8.204 0.237 25791 7831 1 20 . 1 1 54 54 TYR N N 54 118.505 118.505 119.104 -0.599 25791 7832 1 20 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.906 0.412 25791 7833 1 20 . 1 1 54 54 TYR C C 54 177.535 177.535 177.630 -0.095 25791 7834 1 20 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.481 -2.004 25791 7835 1 20 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.229 -0.443 25791 7836 1 20 . 1 1 54 54 TYR H H 54 7.819 7.819 8.225 -0.406 25791 7837 1 20 . 1 1 55 55 GLN N N 55 117.299 117.299 117.318 -0.019 25791 7838 1 20 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.083 -0.184 25791 7839 1 20 . 1 1 55 55 GLN C C 55 179.041 179.041 178.264 0.777 25791 7840 1 20 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.902 -0.193 25791 7841 1 20 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.554 -0.339 25791 7842 1 20 . 1 1 55 55 GLN H H 55 7.735 7.735 7.728 0.007 25791 7843 1 20 . 1 1 56 56 VAL N N 56 120.879 120.879 120.463 0.416 25791 7844 1 20 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.626 0.166 25791 7845 1 20 . 1 1 56 56 VAL C C 56 178.262 178.262 177.802 0.460 25791 7846 1 20 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.538 -0.596 25791 7847 1 20 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.593 0.286 25791 7848 1 20 . 1 1 56 56 VAL H H 56 8.014 8.014 7.770 0.244 25791 7849 1 20 . 1 1 57 57 GLN N N 57 120.513 120.513 119.829 0.684 25791 7850 1 20 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.995 0.065 25791 7851 1 20 . 1 1 57 57 GLN C C 57 178.772 178.772 178.345 0.427 25791 7852 1 20 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.395 0.221 25791 7853 1 20 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.869 0.117 25791 7854 1 20 . 1 1 57 57 GLN H H 57 8.103 8.103 8.362 -0.259 25791 7855 1 20 . 1 1 58 58 LEU N N 58 121.244 121.244 122.011 -0.767 25791 7856 1 20 . 1 1 58 58 LEU HA H 58 4.005 4.005 4.082 -0.077 25791 7857 1 20 . 1 1 58 58 LEU C C 58 179.134 179.134 178.187 0.947 25791 7858 1 20 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.142 0.364 25791 7859 1 20 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.480 0.323 25791 7860 1 20 . 1 1 58 58 LEU H H 58 8.176 8.176 7.791 0.385 25791 7861 1 20 . 1 1 59 59 ALA N N 59 121.608 121.608 121.454 0.154 25791 7862 1 20 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.940 0.225 25791 7863 1 20 . 1 1 59 59 ALA C C 59 180.497 180.497 179.812 0.685 25791 7864 1 20 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.078 -0.496 25791 7865 1 20 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.209 -0.156 25791 7866 1 20 . 1 1 59 59 ALA H H 59 7.833 7.833 7.962 -0.129 25791 7867 1 20 . 1 1 60 60 GLN N N 60 118.335 118.335 117.522 0.813 25791 7868 1 20 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.947 0.201 25791 7869 1 20 . 1 1 60 60 GLN C C 60 178.334 178.334 178.408 -0.074 25791 7870 1 20 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.692 -0.715 25791 7871 1 20 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.686 -0.251 25791 7872 1 20 . 1 1 60 60 GLN H H 60 8.081 8.081 7.759 0.322 25791 7873 1 20 . 1 1 61 61 GLN N N 61 120.206 120.206 120.338 -0.132 25791 7874 1 20 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.939 0.223 25791 7875 1 20 . 1 1 61 61 GLN C C 61 178.002 178.002 178.547 -0.545 25791 7876 1 20 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.914 -1.009 25791 7877 1 20 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.583 -0.004 25791 7878 1 20 . 1 1 61 61 GLN H H 61 8.111 8.111 8.100 0.011 25791 7879 1 20 . 1 1 62 62 GLN N N 62 118.980 118.980 118.759 0.221 25791 7880 1 20 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.012 0.117 25791 7881 1 20 . 1 1 62 62 GLN C C 62 177.624 177.624 178.347 -0.723 25791 7882 1 20 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.731 -1.095 25791 7883 1 20 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.696 -0.060 25791 7884 1 20 . 1 1 62 62 GLN H H 62 8.203 8.203 8.565 -0.362 25791 7885 1 20 . 1 1 63 63 ALA N N 63 122.712 122.712 122.081 0.631 25791 7886 1 20 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.158 0.048 25791 7887 1 20 . 1 1 63 63 ALA C C 63 178.922 178.922 178.788 0.134 25791 7888 1 20 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.440 -0.544 25791 7889 1 20 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.202 0.257 25791 7890 1 20 . 1 1 63 63 ALA H H 63 8.004 8.004 7.743 0.261 25791 7891 1 20 . 1 1 64 64 ALA N N 64 120.813 120.813 120.426 0.387 25791 7892 1 20 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.274 -0.042 25791 7893 1 20 . 1 1 64 64 ALA C C 64 178.732 178.732 178.368 0.364 25791 7894 1 20 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.109 -0.593 25791 7895 1 20 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.088 -0.458 25791 7896 1 20 . 1 1 64 64 ALA H H 64 7.837 7.837 7.721 0.116 25791 7897 1 20 . 1 1 65 65 LEU N N 65 119.196 119.196 118.985 0.211 25791 7898 1 20 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.320 -0.063 25791 7899 1 20 . 1 1 65 65 LEU C C 65 178.038 178.038 177.370 0.668 25791 7900 1 20 . 1 1 65 65 LEU CA C 65 55.822 55.822 55.449 0.373 25791 7901 1 20 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.330 -0.066 25791 7902 1 20 . 1 1 65 65 LEU H H 65 7.765 7.765 7.241 0.524 25791 7903 1 20 . 1 1 66 66 GLN N N 66 119.365 119.365 115.020 4.345 25791 7904 1 20 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.966 0.309 25791 7905 1 20 . 1 1 66 66 GLN C C 66 176.120 176.120 175.874 0.246 25791 7906 1 20 . 1 1 66 66 GLN CA C 66 56.067 56.067 56.998 -0.931 25791 7907 1 20 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.926 2.206 25791 7908 1 20 . 1 1 66 66 GLN H H 66 7.967 7.967 8.269 -0.302 25791 7909 1 20 . 1 1 67 67 LYS N N 67 121.521 121.521 118.323 3.198 25791 7910 1 20 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.333 -0.024 25791 7911 1 20 . 1 1 67 67 LYS C C 67 176.437 176.437 175.524 0.913 25791 7912 1 20 . 1 1 67 67 LYS CA C 67 56.389 56.389 56.244 0.145 25791 7913 1 20 . 1 1 67 67 LYS CB C 67 33.041 33.041 32.826 0.215 25791 7914 1 20 . 1 1 67 67 LYS H H 67 8.053 8.053 8.152 -0.099 25791 7915 1 20 . 1 1 68 68 GLN N N 68 121.970 121.970 118.955 3.015 25791 7916 1 20 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.459 -0.120 25791 7917 1 20 . 1 1 68 68 GLN C C 68 175.120 175.120 175.989 -0.869 25791 7918 1 20 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.015 0.985 25791 7919 1 20 . 1 1 68 68 GLN CB C 68 29.498 29.498 27.950 1.548 25791 7920 1 20 . 1 1 68 68 GLN H H 68 8.314 8.314 8.163 0.151 25791 7921 1 21 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.463 -0.016 25791 7922 1 21 . 1 1 2 2 GLN C C 2 176.144 176.144 176.794 -0.650 25791 7923 1 21 . 1 1 2 2 GLN CA C 2 56.209 56.209 56.093 0.116 25791 7924 1 21 . 1 1 2 2 GLN CB C 2 29.459 29.459 29.163 0.296 25791 7925 1 21 . 1 1 3 3 GLN N N 3 122.052 122.052 118.990 3.062 25791 7926 1 21 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.008 0.315 25791 7927 1 21 . 1 1 3 3 GLN C C 3 176.988 176.988 177.882 -0.894 25791 7928 1 21 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.864 -1.461 25791 7929 1 21 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.251 0.988 25791 7930 1 21 . 1 1 3 3 GLN H H 3 8.780 8.780 8.555 0.225 25791 7931 1 21 . 1 1 4 4 LYS N N 4 121.855 121.855 119.111 2.744 25791 7932 1 21 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.007 -0.003 25791 7933 1 21 . 1 1 4 4 LYS C C 4 177.638 177.638 178.399 -0.761 25791 7934 1 21 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.441 0.798 25791 7935 1 21 . 1 1 4 4 LYS CB C 4 32.699 32.699 31.976 0.723 25791 7936 1 21 . 1 1 4 4 LYS H H 4 8.528 8.528 8.399 0.129 25791 7937 1 21 . 1 1 5 5 GLN N N 5 116.397 116.397 118.431 -2.034 25791 7938 1 21 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.908 0.033 25791 7939 1 21 . 1 1 5 5 GLN C C 5 178.761 178.761 178.521 0.240 25791 7940 1 21 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.942 0.407 25791 7941 1 21 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.557 -0.607 25791 7942 1 21 . 1 1 5 5 GLN H H 5 8.223 8.223 7.586 0.637 25791 7943 1 21 . 1 1 6 6 GLN N N 6 119.262 119.262 118.628 0.634 25791 7944 1 21 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.106 0.022 25791 7945 1 21 . 1 1 6 6 GLN C C 6 179.018 179.018 178.326 0.692 25791 7946 1 21 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.833 0.257 25791 7947 1 21 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.138 0.572 25791 7948 1 21 . 1 1 6 6 GLN H H 6 7.848 7.848 7.825 0.023 25791 7949 1 21 . 1 1 7 7 ILE N N 7 121.296 121.296 120.937 0.359 25791 7950 1 21 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.845 -0.262 25791 7951 1 21 . 1 1 7 7 ILE C C 7 177.833 177.833 178.038 -0.205 25791 7952 1 21 . 1 1 7 7 ILE CA C 7 65.129 65.129 62.955 2.174 25791 7953 1 21 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.134 1.072 25791 7954 1 21 . 1 1 7 7 ILE H H 7 8.095 8.095 7.184 0.911 25791 7955 1 21 . 1 1 8 8 MET N N 8 117.603 117.603 118.836 -1.233 25791 7956 1 21 . 1 1 8 8 MET HA H 8 3.985 3.985 3.987 -0.002 25791 7957 1 21 . 1 1 8 8 MET C C 8 177.355 177.355 178.692 -1.337 25791 7958 1 21 . 1 1 8 8 MET CA C 8 59.932 59.932 59.621 0.311 25791 7959 1 21 . 1 1 8 8 MET CB C 8 32.721 32.721 32.012 0.709 25791 7960 1 21 . 1 1 8 8 MET H H 8 8.672 8.672 8.077 0.595 25791 7961 1 21 . 1 1 9 9 ALA N N 9 118.774 118.774 121.694 -2.920 25791 7962 1 21 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.061 -0.015 25791 7963 1 21 . 1 1 9 9 ALA C C 9 180.546 180.546 179.155 1.391 25791 7964 1 21 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.047 0.338 25791 7965 1 21 . 1 1 9 9 ALA CB C 9 17.898 17.898 18.076 -0.178 25791 7966 1 21 . 1 1 9 9 ALA H H 9 7.795 7.795 8.438 -0.643 25791 7967 1 21 . 1 1 10 10 ALA N N 10 120.854 120.854 121.831 -0.977 25791 7968 1 21 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.026 0.179 25791 7969 1 21 . 1 1 10 10 ALA C C 10 181.200 181.200 179.421 1.779 25791 7970 1 21 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.747 0.265 25791 7971 1 21 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.407 0.854 25791 7972 1 21 . 1 1 10 10 ALA H H 10 7.438 7.438 7.588 -0.150 25791 7973 1 21 . 1 1 11 11 LEU N N 11 120.775 120.775 118.562 2.213 25791 7974 1 21 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.708 0.040 25791 7975 1 21 . 1 1 11 11 LEU C C 11 179.041 179.041 179.130 -0.089 25791 7976 1 21 . 1 1 11 11 LEU CA C 11 58.346 58.346 58.050 0.296 25791 7977 1 21 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.223 -1.246 25791 7978 1 21 . 1 1 11 11 LEU H H 11 8.757 8.757 8.391 0.366 25791 7979 1 21 . 1 1 12 12 ASN N N 12 116.313 116.313 118.131 -1.818 25791 7980 1 21 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.461 0.103 25791 7981 1 21 . 1 1 12 12 ASN C C 12 178.900 178.900 177.684 1.216 25791 7982 1 21 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.944 -1.879 25791 7983 1 21 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.647 -1.654 25791 7984 1 21 . 1 1 12 12 ASN H H 12 8.850 8.850 8.641 0.209 25791 7985 1 21 . 1 1 13 13 SER N N 13 114.747 114.747 116.030 -1.283 25791 7986 1 21 . 1 1 13 13 SER HA H 13 4.370 4.370 4.119 0.251 25791 7987 1 21 . 1 1 13 13 SER C C 13 176.515 176.515 176.660 -0.145 25791 7988 1 21 . 1 1 13 13 SER CA C 13 61.141 61.141 61.862 -0.721 25791 7989 1 21 . 1 1 13 13 SER CB C 13 63.044 63.044 63.095 -0.051 25791 7990 1 21 . 1 1 13 13 SER H H 13 7.672 7.672 8.055 -0.383 25791 7991 1 21 . 1 1 14 14 GLN N N 14 119.954 119.954 118.596 1.358 25791 7992 1 21 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.172 0.046 25791 7993 1 21 . 1 1 14 14 GLN C C 14 178.208 178.208 177.098 1.110 25791 7994 1 21 . 1 1 14 14 GLN CA C 14 57.749 57.749 58.115 -0.366 25791 7995 1 21 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.653 0.047 25791 7996 1 21 . 1 1 14 14 GLN H H 14 7.573 7.573 7.830 -0.257 25791 7997 1 21 . 1 1 15 15 THR N N 15 107.493 107.493 106.036 1.457 25791 7998 1 21 . 1 1 15 15 THR HA H 15 3.899 3.899 4.610 -0.711 25791 7999 1 21 . 1 1 15 15 THR C C 15 174.683 174.683 174.774 -0.091 25791 8000 1 21 . 1 1 15 15 THR CA C 15 61.551 61.551 60.040 1.511 25791 8001 1 21 . 1 1 15 15 THR CB C 15 69.226 69.226 69.761 -0.535 25791 8002 1 21 . 1 1 15 15 THR H H 15 7.741 7.741 7.268 0.473 25791 8003 1 21 . 1 1 16 16 ALA N N 16 124.034 124.034 125.874 -1.840 25791 8004 1 21 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.014 0.121 25791 8005 1 21 . 1 1 16 16 ALA C C 16 179.899 179.899 178.774 1.125 25791 8006 1 21 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.578 0.629 25791 8007 1 21 . 1 1 16 16 ALA CB C 16 18.724 18.724 17.815 0.909 25791 8008 1 21 . 1 1 16 16 ALA H H 16 6.873 6.873 7.796 -0.923 25791 8009 1 21 . 1 1 17 17 VAL N N 17 117.150 117.150 117.758 -0.608 25791 8010 1 21 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.709 0.005 25791 8011 1 21 . 1 1 17 17 VAL C C 17 178.537 178.537 177.328 1.209 25791 8012 1 21 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.215 1.293 25791 8013 1 21 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.750 -0.056 25791 8014 1 21 . 1 1 17 17 VAL H H 17 8.162 8.162 8.434 -0.272 25791 8015 1 21 . 1 1 18 18 GLN N N 18 119.489 119.489 118.986 0.503 25791 8016 1 21 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.068 -0.011 25791 8017 1 21 . 1 1 18 18 GLN C C 18 180.429 180.429 178.595 1.834 25791 8018 1 21 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.211 0.488 25791 8019 1 21 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.498 0.688 25791 8020 1 21 . 1 1 18 18 GLN H H 18 8.451 8.451 7.916 0.535 25791 8021 1 21 . 1 1 19 19 PHE N N 19 117.940 117.940 119.151 -1.211 25791 8022 1 21 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.490 0.340 25791 8023 1 21 . 1 1 19 19 PHE C C 19 177.858 177.858 178.311 -0.453 25791 8024 1 21 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.540 -1.511 25791 8025 1 21 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.105 -2.200 25791 8026 1 21 . 1 1 19 19 PHE H H 19 8.924 8.924 8.764 0.160 25791 8027 1 21 . 1 1 20 20 GLN N N 20 120.297 120.297 119.649 0.648 25791 8028 1 21 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.970 0.136 25791 8029 1 21 . 1 1 20 20 GLN C C 20 178.986 178.986 178.701 0.285 25791 8030 1 21 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.766 -0.203 25791 8031 1 21 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.562 -0.667 25791 8032 1 21 . 1 1 20 20 GLN H H 20 8.264 8.264 8.506 -0.242 25791 8033 1 21 . 1 1 21 21 GLN N N 21 118.595 118.595 119.139 -0.544 25791 8034 1 21 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.067 0.015 25791 8035 1 21 . 1 1 21 21 GLN C C 21 178.806 178.806 178.590 0.216 25791 8036 1 21 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.958 0.212 25791 8037 1 21 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.895 -0.699 25791 8038 1 21 . 1 1 21 21 GLN H H 21 8.527 8.527 8.395 0.132 25791 8039 1 21 . 1 1 22 22 TYR N N 22 119.594 119.594 121.454 -1.860 25791 8040 1 21 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.216 0.031 25791 8041 1 21 . 1 1 22 22 TYR C C 22 177.789 177.789 177.071 0.718 25791 8042 1 21 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.378 1.334 25791 8043 1 21 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.353 0.371 25791 8044 1 21 . 1 1 22 22 TYR H H 22 7.843 7.843 8.298 -0.455 25791 8045 1 21 . 1 1 23 23 ALA N N 23 120.663 120.663 121.150 -0.487 25791 8046 1 21 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.704 0.153 25791 8047 1 21 . 1 1 23 23 ALA C C 23 179.319 179.319 178.693 0.626 25791 8048 1 21 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.821 0.769 25791 8049 1 21 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.164 0.318 25791 8050 1 21 . 1 1 23 23 ALA H H 23 8.612 8.612 8.530 0.082 25791 8051 1 21 . 1 1 24 24 ALA N N 24 119.002 119.002 121.060 -2.058 25791 8052 1 21 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.079 -0.141 25791 8053 1 21 . 1 1 24 24 ALA C C 24 178.987 178.987 178.781 0.206 25791 8054 1 21 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.257 0.060 25791 8055 1 21 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.435 -0.544 25791 8056 1 21 . 1 1 24 24 ALA H H 24 8.168 8.168 7.979 0.189 25791 8057 1 21 . 1 1 25 25 GLN N N 25 115.599 115.599 116.620 -1.021 25791 8058 1 21 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.043 -0.039 25791 8059 1 21 . 1 1 25 25 GLN C C 25 177.818 177.818 178.221 -0.403 25791 8060 1 21 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.135 -0.681 25791 8061 1 21 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.995 -0.540 25791 8062 1 21 . 1 1 25 25 GLN H H 25 7.300 7.300 7.689 -0.389 25791 8063 1 21 . 1 1 26 26 GLN N N 26 116.989 116.989 116.541 0.448 25791 8064 1 21 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.887 -0.183 25791 8065 1 21 . 1 1 26 26 GLN C C 26 175.979 175.979 175.943 0.036 25791 8066 1 21 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.817 -0.029 25791 8067 1 21 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.703 -0.623 25791 8068 1 21 . 1 1 26 26 GLN H H 26 7.401 7.401 7.340 0.061 25791 8069 1 21 . 1 1 27 27 TYR N N 27 114.712 114.712 118.132 -3.420 25791 8070 1 21 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.895 0.183 25791 8071 1 21 . 1 1 27 27 TYR C C 27 172.931 172.931 173.690 -0.759 25791 8072 1 21 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.594 0.573 25791 8073 1 21 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.219 1.441 25791 8074 1 21 . 1 1 27 27 TYR H H 27 7.675 7.675 8.039 -0.363 25791 8075 1 21 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.326 0.036 25791 8076 1 21 . 1 1 28 28 PRO C C 28 179.333 179.333 177.906 1.427 25791 8077 1 21 . 1 1 28 28 PRO CA C 28 64.394 64.394 64.100 0.294 25791 8078 1 21 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.393 -1.139 25791 8079 1 21 . 1 1 29 29 GLY N N 29 110.091 110.091 112.864 -2.773 25791 8080 1 21 . 1 1 29 29 GLY C C 29 173.218 173.218 174.854 -1.636 25791 8081 1 21 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.350 0.562 25791 8082 1 21 . 1 1 29 29 GLY H H 29 8.826 8.826 8.754 0.072 25791 8083 1 21 . 1 1 30 30 ASN N N 30 118.603 118.603 122.395 -3.792 25791 8084 1 21 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.993 0.006 25791 8085 1 21 . 1 1 30 30 ASN C C 30 173.977 173.977 175.044 -1.067 25791 8086 1 21 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.281 -0.096 25791 8087 1 21 . 1 1 30 30 ASN CB C 30 38.426 38.426 37.419 1.007 25791 8088 1 21 . 1 1 30 30 ASN H H 30 7.293 7.293 7.737 -0.444 25791 8089 1 21 . 1 1 31 31 TYR N N 31 125.240 125.240 126.746 -1.506 25791 8090 1 21 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.056 -0.158 25791 8091 1 21 . 1 1 31 31 TYR C C 31 177.343 177.343 176.833 0.510 25791 8092 1 21 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.728 -0.917 25791 8093 1 21 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.755 -0.398 25791 8094 1 21 . 1 1 31 31 TYR H H 31 8.509 8.509 7.918 0.591 25791 8095 1 21 . 1 1 32 32 GLU N N 32 118.993 118.993 118.024 0.969 25791 8096 1 21 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.759 0.141 25791 8097 1 21 . 1 1 32 32 GLU C C 32 179.549 179.549 178.757 0.792 25791 8098 1 21 . 1 1 32 32 GLU CA C 32 60.112 60.112 60.024 0.088 25791 8099 1 21 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.891 0.277 25791 8100 1 21 . 1 1 32 32 GLU H H 32 8.714 8.714 8.756 -0.042 25791 8101 1 21 . 1 1 33 33 GLN N N 33 117.037 117.037 117.995 -0.958 25791 8102 1 21 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.846 -0.113 25791 8103 1 21 . 1 1 33 33 GLN C C 33 179.119 179.119 178.535 0.584 25791 8104 1 21 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.530 -0.828 25791 8105 1 21 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.744 -0.118 25791 8106 1 21 . 1 1 33 33 GLN H H 33 7.536 7.536 8.312 -0.776 25791 8107 1 21 . 1 1 34 34 GLN N N 34 117.723 117.723 119.568 -1.845 25791 8108 1 21 . 1 1 34 34 GLN HA H 34 3.811 3.811 3.996 -0.185 25791 8109 1 21 . 1 1 34 34 GLN C C 34 177.634 177.634 178.550 -0.916 25791 8110 1 21 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.422 0.743 25791 8111 1 21 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.545 -1.044 25791 8112 1 21 . 1 1 34 34 GLN H H 34 7.968 7.968 8.289 -0.321 25791 8113 1 21 . 1 1 35 35 GLN N N 35 115.293 115.293 118.759 -3.466 25791 8114 1 21 . 1 1 35 35 GLN HA H 35 3.791 3.791 3.965 -0.174 25791 8115 1 21 . 1 1 35 35 GLN C C 35 178.757 178.757 178.614 0.143 25791 8116 1 21 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.409 0.201 25791 8117 1 21 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.180 0.025 25791 8118 1 21 . 1 1 35 35 GLN H H 35 7.870 7.870 7.933 -0.063 25791 8119 1 21 . 1 1 36 36 ILE N N 36 120.769 120.769 120.498 0.271 25791 8120 1 21 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.648 -0.084 25791 8121 1 21 . 1 1 36 36 ILE C C 36 178.273 178.273 178.134 0.139 25791 8122 1 21 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.179 0.057 25791 8123 1 21 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.671 0.702 25791 8124 1 21 . 1 1 36 36 ILE H H 36 7.503 7.503 7.982 -0.479 25791 8125 1 21 . 1 1 37 37 LEU N N 37 121.056 121.056 121.607 -0.551 25791 8126 1 21 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.015 0.294 25791 8127 1 21 . 1 1 37 37 LEU C C 37 178.348 178.348 178.197 0.151 25791 8128 1 21 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.965 -0.231 25791 8129 1 21 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.726 -0.210 25791 8130 1 21 . 1 1 37 37 LEU H H 37 7.678 7.678 8.042 -0.364 25791 8131 1 21 . 1 1 38 38 ILE N N 38 119.334 119.334 119.167 0.167 25791 8132 1 21 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.485 -0.144 25791 8133 1 21 . 1 1 38 38 ILE C C 38 177.371 177.371 177.653 -0.282 25791 8134 1 21 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.590 1.495 25791 8135 1 21 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.662 0.687 25791 8136 1 21 . 1 1 38 38 ILE H H 38 8.702 8.702 8.361 0.341 25791 8137 1 21 . 1 1 39 39 ARG N N 39 117.798 117.798 120.032 -2.234 25791 8138 1 21 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.054 0.161 25791 8139 1 21 . 1 1 39 39 ARG C C 39 179.555 179.555 178.588 0.967 25791 8140 1 21 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.081 0.378 25791 8141 1 21 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.680 0.072 25791 8142 1 21 . 1 1 39 39 ARG H H 39 7.739 7.739 8.437 -0.698 25791 8143 1 21 . 1 1 40 40 GLN N N 40 119.432 119.432 119.279 0.153 25791 8144 1 21 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.106 0.031 25791 8145 1 21 . 1 1 40 40 GLN C C 40 179.522 179.522 178.653 0.869 25791 8146 1 21 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.572 0.688 25791 8147 1 21 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.416 -0.058 25791 8148 1 21 . 1 1 40 40 GLN H H 40 7.811 7.811 7.617 0.194 25791 8149 1 21 . 1 1 41 41 LEU N N 41 121.592 121.592 120.536 1.056 25791 8150 1 21 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.716 -0.029 25791 8151 1 21 . 1 1 41 41 LEU C C 41 178.974 178.974 179.060 -0.086 25791 8152 1 21 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.692 0.271 25791 8153 1 21 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.918 -1.066 25791 8154 1 21 . 1 1 41 41 LEU H H 41 8.648 8.648 8.096 0.552 25791 8155 1 21 . 1 1 42 42 GLN N N 42 119.054 119.054 118.587 0.467 25791 8156 1 21 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.341 0.203 25791 8157 1 21 . 1 1 42 42 GLN C C 42 180.176 180.176 178.714 1.462 25791 8158 1 21 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.512 -0.278 25791 8159 1 21 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.823 -0.903 25791 8160 1 21 . 1 1 42 42 GLN H H 42 8.641 8.641 8.648 -0.007 25791 8161 1 21 . 1 1 43 43 GLU N N 43 121.517 121.517 121.271 0.246 25791 8162 1 21 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.057 0.179 25791 8163 1 21 . 1 1 43 43 GLU C C 43 179.721 179.721 178.982 0.739 25791 8164 1 21 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.699 -0.032 25791 8165 1 21 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.518 -0.260 25791 8166 1 21 . 1 1 43 43 GLU H H 43 8.111 8.111 7.960 0.151 25791 8167 1 21 . 1 1 44 44 GLN N N 44 119.240 119.240 118.187 1.053 25791 8168 1 21 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.011 0.105 25791 8169 1 21 . 1 1 44 44 GLN C C 44 179.012 179.012 178.378 0.634 25791 8170 1 21 . 1 1 44 44 GLN CA C 44 59.149 59.149 59.132 0.017 25791 8171 1 21 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.744 0.111 25791 8172 1 21 . 1 1 44 44 GLN H H 44 8.372 8.372 8.302 0.070 25791 8173 1 21 . 1 1 45 45 HIS N N 45 121.705 121.705 120.677 1.028 25791 8174 1 21 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.286 -0.006 25791 8175 1 21 . 1 1 45 45 HIS C C 45 176.395 176.395 177.333 -0.938 25791 8176 1 21 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.124 1.235 25791 8177 1 21 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.587 1.738 25791 8178 1 21 . 1 1 45 45 HIS H H 45 9.472 9.472 8.457 1.015 25791 8179 1 21 . 1 1 46 46 TYR N N 46 119.039 119.039 120.394 -1.355 25791 8180 1 21 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.063 -0.214 25791 8181 1 21 . 1 1 46 46 TYR C C 46 176.664 176.664 177.983 -1.319 25791 8182 1 21 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.854 0.397 25791 8183 1 21 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.336 -0.664 25791 8184 1 21 . 1 1 46 46 TYR H H 46 8.253 8.253 8.477 -0.224 25791 8185 1 21 . 1 1 47 47 GLN N N 47 116.407 116.407 117.965 -1.558 25791 8186 1 21 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.682 0.102 25791 8187 1 21 . 1 1 47 47 GLN C C 47 179.048 179.048 178.303 0.745 25791 8188 1 21 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.241 -0.292 25791 8189 1 21 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.478 -0.297 25791 8190 1 21 . 1 1 47 47 GLN H H 47 7.814 7.814 8.490 -0.676 25791 8191 1 21 . 1 1 48 48 GLN N N 48 119.803 119.803 119.637 0.166 25791 8192 1 21 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.059 -0.082 25791 8193 1 21 . 1 1 48 48 GLN C C 48 177.741 177.741 178.139 -0.398 25791 8194 1 21 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.439 -0.125 25791 8195 1 21 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.329 -0.001 25791 8196 1 21 . 1 1 48 48 GLN H H 48 8.645 8.645 8.425 0.220 25791 8197 1 21 . 1 1 49 49 TYR N N 49 121.342 121.342 121.927 -0.585 25791 8198 1 21 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.179 -0.539 25791 8199 1 21 . 1 1 49 49 TYR C C 49 176.021 176.021 177.574 -1.553 25791 8200 1 21 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.286 0.823 25791 8201 1 21 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.076 0.831 25791 8202 1 21 . 1 1 49 49 TYR H H 49 9.105 9.105 8.670 0.435 25791 8203 1 21 . 1 1 50 50 MET N N 50 115.522 115.522 118.251 -2.729 25791 8204 1 21 . 1 1 50 50 MET HA H 50 4.040 4.040 3.527 0.513 25791 8205 1 21 . 1 1 50 50 MET C C 50 179.841 179.841 178.312 1.529 25791 8206 1 21 . 1 1 50 50 MET CA C 50 56.623 56.623 58.659 -2.036 25791 8207 1 21 . 1 1 50 50 MET CB C 50 30.099 30.099 32.149 -2.050 25791 8208 1 21 . 1 1 50 50 MET H H 50 8.060 8.060 8.317 -0.257 25791 8209 1 21 . 1 1 51 51 GLN N N 51 118.942 118.942 117.992 0.950 25791 8210 1 21 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.850 0.215 25791 8211 1 21 . 1 1 51 51 GLN C C 51 178.707 178.707 178.485 0.222 25791 8212 1 21 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.006 -0.065 25791 8213 1 21 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.505 -0.016 25791 8214 1 21 . 1 1 51 51 GLN H H 51 7.830 7.830 8.041 -0.211 25791 8215 1 21 . 1 1 52 52 GLN N N 52 119.210 119.210 119.799 -0.589 25791 8216 1 21 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.075 -0.018 25791 8217 1 21 . 1 1 52 52 GLN C C 52 178.738 178.738 178.570 0.168 25791 8218 1 21 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.758 -0.009 25791 8219 1 21 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.918 -0.515 25791 8220 1 21 . 1 1 52 52 GLN H H 52 8.187 8.187 8.111 0.076 25791 8221 1 21 . 1 1 53 53 LEU N N 53 121.233 121.233 121.188 0.045 25791 8222 1 21 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.882 -0.041 25791 8223 1 21 . 1 1 53 53 LEU C C 53 179.191 179.191 177.950 1.241 25791 8224 1 21 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.563 0.182 25791 8225 1 21 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.226 0.640 25791 8226 1 21 . 1 1 53 53 LEU H H 53 8.441 8.441 8.195 0.246 25791 8227 1 21 . 1 1 54 54 TYR N N 54 118.505 118.505 118.779 -0.274 25791 8228 1 21 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.911 0.407 25791 8229 1 21 . 1 1 54 54 TYR C C 54 177.535 177.535 177.654 -0.119 25791 8230 1 21 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.304 -1.827 25791 8231 1 21 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.230 -0.444 25791 8232 1 21 . 1 1 54 54 TYR H H 54 7.819 7.819 8.118 -0.299 25791 8233 1 21 . 1 1 55 55 GLN N N 55 117.299 117.299 117.651 -0.352 25791 8234 1 21 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.092 -0.193 25791 8235 1 21 . 1 1 55 55 GLN C C 55 179.041 179.041 178.387 0.654 25791 8236 1 21 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.814 -0.105 25791 8237 1 21 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.767 -0.552 25791 8238 1 21 . 1 1 55 55 GLN H H 55 7.735 7.735 7.665 0.070 25791 8239 1 21 . 1 1 56 56 VAL N N 56 120.879 120.879 120.206 0.673 25791 8240 1 21 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.665 0.127 25791 8241 1 21 . 1 1 56 56 VAL C C 56 178.262 178.262 178.154 0.108 25791 8242 1 21 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.304 -0.362 25791 8243 1 21 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.333 0.546 25791 8244 1 21 . 1 1 56 56 VAL H H 56 8.014 8.014 7.629 0.385 25791 8245 1 21 . 1 1 57 57 GLN N N 57 120.513 120.513 119.276 1.237 25791 8246 1 21 . 1 1 57 57 GLN HA H 57 4.060 4.060 4.056 0.004 25791 8247 1 21 . 1 1 57 57 GLN C C 57 178.772 178.772 178.258 0.514 25791 8248 1 21 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.229 0.387 25791 8249 1 21 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.690 0.295 25791 8250 1 21 . 1 1 57 57 GLN H H 57 8.103 8.103 8.546 -0.443 25791 8251 1 21 . 1 1 58 58 LEU N N 58 121.244 121.244 121.300 -0.056 25791 8252 1 21 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.991 0.014 25791 8253 1 21 . 1 1 58 58 LEU C C 58 179.134 179.134 178.266 0.868 25791 8254 1 21 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.142 0.364 25791 8255 1 21 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.253 0.550 25791 8256 1 21 . 1 1 58 58 LEU H H 58 8.176 8.176 7.697 0.479 25791 8257 1 21 . 1 1 59 59 ALA N N 59 121.608 121.608 121.583 0.025 25791 8258 1 21 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.889 0.276 25791 8259 1 21 . 1 1 59 59 ALA C C 59 180.497 180.497 179.895 0.602 25791 8260 1 21 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.300 -0.718 25791 8261 1 21 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.127 -0.074 25791 8262 1 21 . 1 1 59 59 ALA H H 59 7.833 7.833 8.080 -0.247 25791 8263 1 21 . 1 1 60 60 GLN N N 60 118.335 118.335 117.413 0.922 25791 8264 1 21 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.964 0.184 25791 8265 1 21 . 1 1 60 60 GLN C C 60 178.334 178.334 178.921 -0.587 25791 8266 1 21 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.763 -0.786 25791 8267 1 21 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.627 -0.192 25791 8268 1 21 . 1 1 60 60 GLN H H 60 8.081 8.081 7.871 0.210 25791 8269 1 21 . 1 1 61 61 GLN N N 61 120.206 120.206 119.303 0.903 25791 8270 1 21 . 1 1 61 61 GLN HA H 61 4.162 4.162 4.034 0.128 25791 8271 1 21 . 1 1 61 61 GLN C C 61 178.002 178.002 178.584 -0.582 25791 8272 1 21 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.740 -0.835 25791 8273 1 21 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.348 0.231 25791 8274 1 21 . 1 1 61 61 GLN H H 61 8.111 8.111 8.208 -0.097 25791 8275 1 21 . 1 1 62 62 GLN N N 62 118.980 118.980 119.369 -0.389 25791 8276 1 21 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.038 0.091 25791 8277 1 21 . 1 1 62 62 GLN C C 62 177.624 177.624 178.256 -0.632 25791 8278 1 21 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.767 -1.131 25791 8279 1 21 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.498 0.138 25791 8280 1 21 . 1 1 62 62 GLN H H 62 8.203 8.203 8.624 -0.421 25791 8281 1 21 . 1 1 63 63 ALA N N 63 122.712 122.712 121.610 1.102 25791 8282 1 21 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.144 0.062 25791 8283 1 21 . 1 1 63 63 ALA C C 63 178.922 178.922 178.619 0.303 25791 8284 1 21 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.446 -0.550 25791 8285 1 21 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.220 0.239 25791 8286 1 21 . 1 1 63 63 ALA H H 63 8.004 8.004 7.851 0.153 25791 8287 1 21 . 1 1 64 64 ALA N N 64 120.813 120.813 120.147 0.666 25791 8288 1 21 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.166 0.066 25791 8289 1 21 . 1 1 64 64 ALA C C 64 178.732 178.732 178.876 -0.144 25791 8290 1 21 . 1 1 64 64 ALA CA C 64 53.516 53.516 53.977 -0.461 25791 8291 1 21 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.295 -0.665 25791 8292 1 21 . 1 1 64 64 ALA H H 64 7.837 7.837 7.514 0.323 25791 8293 1 21 . 1 1 65 65 LEU N N 65 119.196 119.196 119.071 0.125 25791 8294 1 21 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.213 0.044 25791 8295 1 21 . 1 1 65 65 LEU C C 65 178.038 178.038 177.669 0.369 25791 8296 1 21 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.485 -0.663 25791 8297 1 21 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.080 0.184 25791 8298 1 21 . 1 1 65 65 LEU H H 65 7.765 7.765 8.157 -0.392 25791 8299 1 21 . 1 1 66 66 GLN N N 66 119.365 119.365 116.569 2.796 25791 8300 1 21 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.913 0.362 25791 8301 1 21 . 1 1 66 66 GLN C C 66 176.120 176.120 175.554 0.566 25791 8302 1 21 . 1 1 66 66 GLN CA C 66 56.067 56.067 56.592 -0.525 25791 8303 1 21 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.852 2.280 25791 8304 1 21 . 1 1 66 66 GLN H H 66 7.967 7.967 8.343 -0.376 25791 8305 1 21 . 1 1 67 67 LYS N N 67 121.521 121.521 114.985 6.536 25791 8306 1 21 . 1 1 67 67 LYS HA H 67 4.309 4.309 3.927 0.382 25791 8307 1 21 . 1 1 67 67 LYS C C 67 176.437 176.437 175.704 0.733 25791 8308 1 21 . 1 1 67 67 LYS CA C 67 56.389 56.389 57.745 -1.357 25791 8309 1 21 . 1 1 67 67 LYS CB C 67 33.041 33.041 31.213 1.828 25791 8310 1 21 . 1 1 67 67 LYS H H 67 8.053 8.053 8.550 -0.497 25791 8311 1 21 . 1 1 68 68 GLN N N 68 121.970 121.970 116.533 5.437 25791 8312 1 21 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.578 -0.239 25791 8313 1 21 . 1 1 68 68 GLN C C 68 175.120 175.120 175.148 -0.028 25791 8314 1 21 . 1 1 68 68 GLN CA C 68 56.000 56.000 54.938 1.062 25791 8315 1 21 . 1 1 68 68 GLN CB C 68 29.498 29.498 28.909 0.589 25791 8316 1 21 . 1 1 68 68 GLN H H 68 8.314 8.314 8.101 0.213 25791 8317 1 22 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.009 0.438 25791 8318 1 22 . 1 1 2 2 GLN C C 2 176.144 176.144 176.690 -0.546 25791 8319 1 22 . 1 1 2 2 GLN CA C 2 56.209 56.209 56.990 -0.781 25791 8320 1 22 . 1 1 2 2 GLN CB C 2 29.459 29.459 27.409 2.050 25791 8321 1 22 . 1 1 3 3 GLN N N 3 122.052 122.052 119.560 2.492 25791 8322 1 22 . 1 1 3 3 GLN HA H 3 4.323 4.323 3.983 0.340 25791 8323 1 22 . 1 1 3 3 GLN C C 3 176.988 176.988 177.633 -0.645 25791 8324 1 22 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.397 -0.994 25791 8325 1 22 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.226 1.013 25791 8326 1 22 . 1 1 3 3 GLN H H 3 8.780 8.780 8.628 0.152 25791 8327 1 22 . 1 1 4 4 LYS N N 4 121.855 121.855 119.373 2.482 25791 8328 1 22 . 1 1 4 4 LYS HA H 4 4.004 4.004 3.973 0.031 25791 8329 1 22 . 1 1 4 4 LYS C C 4 177.638 177.638 178.659 -1.021 25791 8330 1 22 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.475 0.764 25791 8331 1 22 . 1 1 4 4 LYS CB C 4 32.699 32.699 31.923 0.776 25791 8332 1 22 . 1 1 4 4 LYS H H 4 8.528 8.528 8.436 0.092 25791 8333 1 22 . 1 1 5 5 GLN N N 5 116.397 116.397 117.600 -1.203 25791 8334 1 22 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.905 0.036 25791 8335 1 22 . 1 1 5 5 GLN C C 5 178.761 178.761 178.311 0.450 25791 8336 1 22 . 1 1 5 5 GLN CA C 5 59.349 59.349 59.033 0.316 25791 8337 1 22 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.485 -0.535 25791 8338 1 22 . 1 1 5 5 GLN H H 5 8.223 8.223 8.007 0.216 25791 8339 1 22 . 1 1 6 6 GLN N N 6 119.262 119.262 118.945 0.317 25791 8340 1 22 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.116 0.012 25791 8341 1 22 . 1 1 6 6 GLN C C 6 179.018 179.018 178.325 0.693 25791 8342 1 22 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.437 0.652 25791 8343 1 22 . 1 1 6 6 GLN CB C 6 28.710 28.710 27.973 0.737 25791 8344 1 22 . 1 1 6 6 GLN H H 6 7.848 7.848 7.777 0.071 25791 8345 1 22 . 1 1 7 7 ILE N N 7 121.296 121.296 121.946 -0.650 25791 8346 1 22 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.829 -0.246 25791 8347 1 22 . 1 1 7 7 ILE C C 7 177.833 177.833 178.164 -0.331 25791 8348 1 22 . 1 1 7 7 ILE CA C 7 65.129 65.129 63.356 1.773 25791 8349 1 22 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.085 1.121 25791 8350 1 22 . 1 1 7 7 ILE H H 7 8.095 8.095 7.340 0.755 25791 8351 1 22 . 1 1 8 8 MET N N 8 117.603 117.603 118.874 -1.271 25791 8352 1 22 . 1 1 8 8 MET HA H 8 3.985 3.985 4.013 -0.028 25791 8353 1 22 . 1 1 8 8 MET C C 8 177.355 177.355 178.773 -1.418 25791 8354 1 22 . 1 1 8 8 MET CA C 8 59.932 59.932 59.643 0.289 25791 8355 1 22 . 1 1 8 8 MET CB C 8 32.721 32.721 32.061 0.660 25791 8356 1 22 . 1 1 8 8 MET H H 8 8.672 8.672 8.232 0.440 25791 8357 1 22 . 1 1 9 9 ALA N N 9 118.774 118.774 121.700 -2.926 25791 8358 1 22 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.017 0.029 25791 8359 1 22 . 1 1 9 9 ALA C C 9 180.546 180.546 179.295 1.251 25791 8360 1 22 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.167 0.217 25791 8361 1 22 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.899 -0.001 25791 8362 1 22 . 1 1 9 9 ALA H H 9 7.795 7.795 8.459 -0.664 25791 8363 1 22 . 1 1 10 10 ALA N N 10 120.854 120.854 121.533 -0.679 25791 8364 1 22 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.075 0.130 25791 8365 1 22 . 1 1 10 10 ALA C C 10 181.200 181.200 179.602 1.598 25791 8366 1 22 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.872 0.140 25791 8367 1 22 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.247 1.014 25791 8368 1 22 . 1 1 10 10 ALA H H 10 7.438 7.438 7.745 -0.307 25791 8369 1 22 . 1 1 11 11 LEU N N 11 120.775 120.775 118.678 2.097 25791 8370 1 22 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.727 0.021 25791 8371 1 22 . 1 1 11 11 LEU C C 11 179.041 179.041 179.175 -0.134 25791 8372 1 22 . 1 1 11 11 LEU CA C 11 58.346 58.346 58.005 0.341 25791 8373 1 22 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.181 -1.204 25791 8374 1 22 . 1 1 11 11 LEU H H 11 8.757 8.757 8.506 0.251 25791 8375 1 22 . 1 1 12 12 ASN N N 12 116.313 116.313 117.782 -1.469 25791 8376 1 22 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.485 0.079 25791 8377 1 22 . 1 1 12 12 ASN C C 12 178.900 178.900 177.077 1.823 25791 8378 1 22 . 1 1 12 12 ASN CA C 12 54.065 54.065 56.357 -2.292 25791 8379 1 22 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.670 -1.677 25791 8380 1 22 . 1 1 12 12 ASN H H 12 8.850 8.850 8.476 0.374 25791 8381 1 22 . 1 1 13 13 SER N N 13 114.747 114.747 115.603 -0.856 25791 8382 1 22 . 1 1 13 13 SER HA H 13 4.370 4.370 4.173 0.197 25791 8383 1 22 . 1 1 13 13 SER C C 13 176.515 176.515 177.080 -0.565 25791 8384 1 22 . 1 1 13 13 SER CA C 13 61.141 61.141 61.197 -0.056 25791 8385 1 22 . 1 1 13 13 SER CB C 13 63.044 63.044 63.254 -0.210 25791 8386 1 22 . 1 1 13 13 SER H H 13 7.672 7.672 7.888 -0.216 25791 8387 1 22 . 1 1 14 14 GLN N N 14 119.954 119.954 119.040 0.914 25791 8388 1 22 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.210 0.008 25791 8389 1 22 . 1 1 14 14 GLN C C 14 178.208 178.208 176.661 1.547 25791 8390 1 22 . 1 1 14 14 GLN CA C 14 57.749 57.749 58.048 -0.299 25791 8391 1 22 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.751 -0.051 25791 8392 1 22 . 1 1 14 14 GLN H H 14 7.573 7.573 7.928 -0.355 25791 8393 1 22 . 1 1 15 15 THR N N 15 107.493 107.493 107.627 -0.134 25791 8394 1 22 . 1 1 15 15 THR HA H 15 3.899 3.899 4.341 -0.442 25791 8395 1 22 . 1 1 15 15 THR C C 15 174.683 174.683 174.484 0.199 25791 8396 1 22 . 1 1 15 15 THR CA C 15 61.551 61.551 60.320 1.231 25791 8397 1 22 . 1 1 15 15 THR CB C 15 69.226 69.226 69.189 0.037 25791 8398 1 22 . 1 1 15 15 THR H H 15 7.741 7.741 7.213 0.528 25791 8399 1 22 . 1 1 16 16 ALA N N 16 124.034 124.034 126.025 -1.991 25791 8400 1 22 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.018 0.117 25791 8401 1 22 . 1 1 16 16 ALA C C 16 179.899 179.899 178.663 1.236 25791 8402 1 22 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.935 0.272 25791 8403 1 22 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.080 0.644 25791 8404 1 22 . 1 1 16 16 ALA H H 16 6.873 6.873 7.237 -0.364 25791 8405 1 22 . 1 1 17 17 VAL N N 17 117.150 117.150 118.189 -1.039 25791 8406 1 22 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.764 -0.050 25791 8407 1 22 . 1 1 17 17 VAL C C 17 178.537 178.537 177.324 1.213 25791 8408 1 22 . 1 1 17 17 VAL CA C 17 66.508 66.508 64.944 1.564 25791 8409 1 22 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.202 0.491 25791 8410 1 22 . 1 1 17 17 VAL H H 17 8.162 8.162 8.450 -0.288 25791 8411 1 22 . 1 1 18 18 GLN N N 18 119.489 119.489 119.743 -0.254 25791 8412 1 22 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.023 0.034 25791 8413 1 22 . 1 1 18 18 GLN C C 18 180.429 180.429 178.805 1.624 25791 8414 1 22 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.492 0.207 25791 8415 1 22 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.425 0.761 25791 8416 1 22 . 1 1 18 18 GLN H H 18 8.451 8.451 7.834 0.617 25791 8417 1 22 . 1 1 19 19 PHE N N 19 117.940 117.940 118.706 -0.766 25791 8418 1 22 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.423 0.407 25791 8419 1 22 . 1 1 19 19 PHE C C 19 177.858 177.858 178.364 -0.506 25791 8420 1 22 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.713 -1.684 25791 8421 1 22 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.107 -2.202 25791 8422 1 22 . 1 1 19 19 PHE H H 19 8.924 8.924 8.701 0.223 25791 8423 1 22 . 1 1 20 20 GLN N N 20 120.297 120.297 119.374 0.923 25791 8424 1 22 . 1 1 20 20 GLN HA H 20 4.106 4.106 4.087 0.019 25791 8425 1 22 . 1 1 20 20 GLN C C 20 178.986 178.986 178.731 0.255 25791 8426 1 22 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.481 0.082 25791 8427 1 22 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.612 -0.717 25791 8428 1 22 . 1 1 20 20 GLN H H 20 8.264 8.264 8.105 0.159 25791 8429 1 22 . 1 1 21 21 GLN N N 21 118.595 118.595 119.041 -0.446 25791 8430 1 22 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.091 -0.009 25791 8431 1 22 . 1 1 21 21 GLN C C 21 178.806 178.806 178.597 0.209 25791 8432 1 22 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.785 0.385 25791 8433 1 22 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.602 -0.406 25791 8434 1 22 . 1 1 21 21 GLN H H 21 8.527 8.527 8.498 0.029 25791 8435 1 22 . 1 1 22 22 TYR N N 22 119.594 119.594 120.957 -1.363 25791 8436 1 22 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.158 0.089 25791 8437 1 22 . 1 1 22 22 TYR C C 22 177.789 177.789 176.970 0.819 25791 8438 1 22 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.777 0.935 25791 8439 1 22 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.355 0.368 25791 8440 1 22 . 1 1 22 22 TYR H H 22 7.843 7.843 8.171 -0.328 25791 8441 1 22 . 1 1 23 23 ALA N N 23 120.663 120.663 121.434 -0.771 25791 8442 1 22 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.818 0.039 25791 8443 1 22 . 1 1 23 23 ALA C C 23 179.319 179.319 178.783 0.536 25791 8444 1 22 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.944 0.645 25791 8445 1 22 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.185 0.297 25791 8446 1 22 . 1 1 23 23 ALA H H 23 8.612 8.612 8.599 0.013 25791 8447 1 22 . 1 1 24 24 ALA N N 24 119.002 119.002 120.976 -1.974 25791 8448 1 22 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.109 -0.171 25791 8449 1 22 . 1 1 24 24 ALA C C 24 178.987 178.987 178.803 0.184 25791 8450 1 22 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.430 -0.113 25791 8451 1 22 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.841 -0.950 25791 8452 1 22 . 1 1 24 24 ALA H H 24 8.168 8.168 8.104 0.064 25791 8453 1 22 . 1 1 25 25 GLN N N 25 115.599 115.599 115.932 -0.333 25791 8454 1 22 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.071 -0.067 25791 8455 1 22 . 1 1 25 25 GLN C C 25 177.818 177.818 177.868 -0.050 25791 8456 1 22 . 1 1 25 25 GLN CA C 25 57.454 57.454 57.722 -0.268 25791 8457 1 22 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.760 -0.305 25791 8458 1 22 . 1 1 25 25 GLN H H 25 7.300 7.300 7.596 -0.296 25791 8459 1 22 . 1 1 26 26 GLN N N 26 116.989 116.989 117.543 -0.554 25791 8460 1 22 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.866 -0.162 25791 8461 1 22 . 1 1 26 26 GLN C C 26 175.979 175.979 175.697 0.282 25791 8462 1 22 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.737 0.051 25791 8463 1 22 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.625 -0.545 25791 8464 1 22 . 1 1 26 26 GLN H H 26 7.401 7.401 7.484 -0.083 25791 8465 1 22 . 1 1 27 27 TYR N N 27 114.712 114.712 117.968 -3.256 25791 8466 1 22 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.885 0.193 25791 8467 1 22 . 1 1 27 27 TYR C C 27 172.931 172.931 173.699 -0.768 25791 8468 1 22 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.638 0.529 25791 8469 1 22 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.335 1.325 25791 8470 1 22 . 1 1 27 27 TYR H H 27 7.675 7.675 8.012 -0.337 25791 8471 1 22 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.385 -0.023 25791 8472 1 22 . 1 1 28 28 PRO C C 28 179.333 179.333 178.231 1.102 25791 8473 1 22 . 1 1 28 28 PRO CA C 28 64.394 64.394 63.601 0.793 25791 8474 1 22 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.335 -1.081 25791 8475 1 22 . 1 1 29 29 GLY N N 29 110.091 110.091 112.641 -2.550 25791 8476 1 22 . 1 1 29 29 GLY C C 29 173.218 173.218 174.543 -1.325 25791 8477 1 22 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.793 0.119 25791 8478 1 22 . 1 1 29 29 GLY H H 29 8.826 8.826 8.788 0.038 25791 8479 1 22 . 1 1 30 30 ASN N N 30 118.603 118.603 121.454 -2.851 25791 8480 1 22 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.940 0.059 25791 8481 1 22 . 1 1 30 30 ASN C C 30 173.977 173.977 175.149 -1.172 25791 8482 1 22 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.778 -0.593 25791 8483 1 22 . 1 1 30 30 ASN CB C 30 38.426 38.426 37.347 1.079 25791 8484 1 22 . 1 1 30 30 ASN H H 30 7.293 7.293 7.548 -0.255 25791 8485 1 22 . 1 1 31 31 TYR N N 31 125.240 125.240 126.946 -1.706 25791 8486 1 22 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.072 -0.174 25791 8487 1 22 . 1 1 31 31 TYR C C 31 177.343 177.343 176.908 0.435 25791 8488 1 22 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.535 -0.723 25791 8489 1 22 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.727 -0.370 25791 8490 1 22 . 1 1 31 31 TYR H H 31 8.509 8.509 7.924 0.585 25791 8491 1 22 . 1 1 32 32 GLU N N 32 118.993 118.993 117.978 1.015 25791 8492 1 22 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.713 0.187 25791 8493 1 22 . 1 1 32 32 GLU C C 32 179.549 179.549 178.742 0.807 25791 8494 1 22 . 1 1 32 32 GLU CA C 32 60.112 60.112 60.038 0.075 25791 8495 1 22 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.850 0.318 25791 8496 1 22 . 1 1 32 32 GLU H H 32 8.714 8.714 8.749 -0.035 25791 8497 1 22 . 1 1 33 33 GLN N N 33 117.037 117.037 118.040 -1.003 25791 8498 1 22 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.842 -0.109 25791 8499 1 22 . 1 1 33 33 GLN C C 33 179.119 179.119 178.529 0.590 25791 8500 1 22 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.528 -0.826 25791 8501 1 22 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.767 -0.141 25791 8502 1 22 . 1 1 33 33 GLN H H 33 7.536 7.536 8.311 -0.775 25791 8503 1 22 . 1 1 34 34 GLN N N 34 117.723 117.723 119.636 -1.913 25791 8504 1 22 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.004 -0.193 25791 8505 1 22 . 1 1 34 34 GLN C C 34 177.634 177.634 178.527 -0.893 25791 8506 1 22 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.423 0.742 25791 8507 1 22 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.536 -1.035 25791 8508 1 22 . 1 1 34 34 GLN H H 34 7.968 7.968 8.328 -0.360 25791 8509 1 22 . 1 1 35 35 GLN N N 35 115.293 115.293 118.802 -3.509 25791 8510 1 22 . 1 1 35 35 GLN HA H 35 3.791 3.791 3.972 -0.181 25791 8511 1 22 . 1 1 35 35 GLN C C 35 178.757 178.757 178.603 0.154 25791 8512 1 22 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.343 0.267 25791 8513 1 22 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.135 0.070 25791 8514 1 22 . 1 1 35 35 GLN H H 35 7.870 7.870 7.916 -0.046 25791 8515 1 22 . 1 1 36 36 ILE N N 36 120.769 120.769 120.571 0.198 25791 8516 1 22 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.656 -0.092 25791 8517 1 22 . 1 1 36 36 ILE C C 36 178.273 178.273 178.214 0.059 25791 8518 1 22 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.147 0.089 25791 8519 1 22 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.681 0.692 25791 8520 1 22 . 1 1 36 36 ILE H H 36 7.503 7.503 8.063 -0.560 25791 8521 1 22 . 1 1 37 37 LEU N N 37 121.056 121.056 121.574 -0.518 25791 8522 1 22 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.042 0.267 25791 8523 1 22 . 1 1 37 37 LEU C C 37 178.348 178.348 178.175 0.173 25791 8524 1 22 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.830 -0.096 25791 8525 1 22 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.733 -0.217 25791 8526 1 22 . 1 1 37 37 LEU H H 37 7.678 7.678 8.003 -0.325 25791 8527 1 22 . 1 1 38 38 ILE N N 38 119.334 119.334 119.141 0.193 25791 8528 1 22 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.472 -0.131 25791 8529 1 22 . 1 1 38 38 ILE C C 38 177.371 177.371 177.687 -0.316 25791 8530 1 22 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.555 1.530 25791 8531 1 22 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.699 0.650 25791 8532 1 22 . 1 1 38 38 ILE H H 38 8.702 8.702 8.395 0.307 25791 8533 1 22 . 1 1 39 39 ARG N N 39 117.798 117.798 119.676 -1.878 25791 8534 1 22 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.314 -0.099 25791 8535 1 22 . 1 1 39 39 ARG C C 39 179.555 179.555 178.568 0.987 25791 8536 1 22 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.047 0.412 25791 8537 1 22 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.561 0.191 25791 8538 1 22 . 1 1 39 39 ARG H H 39 7.739 7.739 8.452 -0.713 25791 8539 1 22 . 1 1 40 40 GLN N N 40 119.432 119.432 119.400 0.032 25791 8540 1 22 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.066 0.071 25791 8541 1 22 . 1 1 40 40 GLN C C 40 179.522 179.522 178.460 1.062 25791 8542 1 22 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.789 0.471 25791 8543 1 22 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.663 -0.305 25791 8544 1 22 . 1 1 40 40 GLN H H 40 7.811 7.811 7.464 0.347 25791 8545 1 22 . 1 1 41 41 LEU N N 41 121.592 121.592 119.991 1.601 25791 8546 1 22 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.677 0.010 25791 8547 1 22 . 1 1 41 41 LEU C C 41 178.974 178.974 178.936 0.038 25791 8548 1 22 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.544 0.419 25791 8549 1 22 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.776 -0.924 25791 8550 1 22 . 1 1 41 41 LEU H H 41 8.648 8.648 7.628 1.020 25791 8551 1 22 . 1 1 42 42 GLN N N 42 119.054 119.054 118.282 0.772 25791 8552 1 22 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.255 0.289 25791 8553 1 22 . 1 1 42 42 GLN C C 42 180.176 180.176 178.721 1.455 25791 8554 1 22 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.482 -0.248 25791 8555 1 22 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.692 -0.772 25791 8556 1 22 . 1 1 42 42 GLN H H 42 8.641 8.641 8.432 0.209 25791 8557 1 22 . 1 1 43 43 GLU N N 43 121.517 121.517 120.921 0.596 25791 8558 1 22 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.058 0.178 25791 8559 1 22 . 1 1 43 43 GLU C C 43 179.721 179.721 178.970 0.751 25791 8560 1 22 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.488 0.179 25791 8561 1 22 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.513 -0.255 25791 8562 1 22 . 1 1 43 43 GLU H H 43 8.111 8.111 7.749 0.362 25791 8563 1 22 . 1 1 44 44 GLN N N 44 119.240 119.240 118.769 0.471 25791 8564 1 22 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.243 -0.127 25791 8565 1 22 . 1 1 44 44 GLN C C 44 179.012 179.012 178.478 0.534 25791 8566 1 22 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.911 0.238 25791 8567 1 22 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.818 0.036 25791 8568 1 22 . 1 1 44 44 GLN H H 44 8.372 8.372 8.042 0.330 25791 8569 1 22 . 1 1 45 45 HIS N N 45 121.705 121.705 120.412 1.293 25791 8570 1 22 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.277 0.003 25791 8571 1 22 . 1 1 45 45 HIS C C 45 176.395 176.395 177.349 -0.954 25791 8572 1 22 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.039 1.319 25791 8573 1 22 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.532 1.793 25791 8574 1 22 . 1 1 45 45 HIS H H 45 9.472 9.472 8.366 1.106 25791 8575 1 22 . 1 1 46 46 TYR N N 46 119.039 119.039 120.177 -1.138 25791 8576 1 22 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.101 -0.252 25791 8577 1 22 . 1 1 46 46 TYR C C 46 176.664 176.664 177.900 -1.236 25791 8578 1 22 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.804 0.447 25791 8579 1 22 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.381 -0.709 25791 8580 1 22 . 1 1 46 46 TYR H H 46 8.253 8.253 7.976 0.277 25791 8581 1 22 . 1 1 47 47 GLN N N 47 116.407 116.407 118.273 -1.866 25791 8582 1 22 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.721 0.063 25791 8583 1 22 . 1 1 47 47 GLN C C 47 179.048 179.048 178.309 0.739 25791 8584 1 22 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.279 -0.330 25791 8585 1 22 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.502 -0.321 25791 8586 1 22 . 1 1 47 47 GLN H H 47 7.814 7.814 8.353 -0.539 25791 8587 1 22 . 1 1 48 48 GLN N N 48 119.803 119.803 119.738 0.065 25791 8588 1 22 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.106 -0.129 25791 8589 1 22 . 1 1 48 48 GLN C C 48 177.741 177.741 178.209 -0.468 25791 8590 1 22 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.373 -0.059 25791 8591 1 22 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.496 -0.168 25791 8592 1 22 . 1 1 48 48 GLN H H 48 8.645 8.645 8.452 0.193 25791 8593 1 22 . 1 1 49 49 TYR N N 49 121.342 121.342 121.442 -0.100 25791 8594 1 22 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.149 -0.509 25791 8595 1 22 . 1 1 49 49 TYR C C 49 176.021 176.021 177.548 -1.527 25791 8596 1 22 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.288 0.821 25791 8597 1 22 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.176 0.731 25791 8598 1 22 . 1 1 49 49 TYR H H 49 9.105 9.105 8.288 0.817 25791 8599 1 22 . 1 1 50 50 MET N N 50 115.522 115.522 118.525 -3.003 25791 8600 1 22 . 1 1 50 50 MET HA H 50 4.040 4.040 3.547 0.493 25791 8601 1 22 . 1 1 50 50 MET C C 50 179.841 179.841 178.070 1.771 25791 8602 1 22 . 1 1 50 50 MET CA C 50 56.623 56.623 58.321 -1.698 25791 8603 1 22 . 1 1 50 50 MET CB C 50 30.099 30.099 32.127 -2.028 25791 8604 1 22 . 1 1 50 50 MET H H 50 8.060 8.060 8.301 -0.241 25791 8605 1 22 . 1 1 51 51 GLN N N 51 118.942 118.942 118.733 0.209 25791 8606 1 22 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.842 0.223 25791 8607 1 22 . 1 1 51 51 GLN C C 51 178.707 178.707 178.319 0.388 25791 8608 1 22 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.209 -0.268 25791 8609 1 22 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.624 -0.135 25791 8610 1 22 . 1 1 51 51 GLN H H 51 7.830 7.830 8.021 -0.191 25791 8611 1 22 . 1 1 52 52 GLN N N 52 119.210 119.210 119.615 -0.405 25791 8612 1 22 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.090 -0.033 25791 8613 1 22 . 1 1 52 52 GLN C C 52 178.738 178.738 178.563 0.175 25791 8614 1 22 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.022 0.727 25791 8615 1 22 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.500 -0.097 25791 8616 1 22 . 1 1 52 52 GLN H H 52 8.187 8.187 8.167 0.020 25791 8617 1 22 . 1 1 53 53 LEU N N 53 121.233 121.233 121.419 -0.186 25791 8618 1 22 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.886 -0.045 25791 8619 1 22 . 1 1 53 53 LEU C C 53 179.191 179.191 177.971 1.220 25791 8620 1 22 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.759 -0.014 25791 8621 1 22 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.227 0.639 25791 8622 1 22 . 1 1 53 53 LEU H H 53 8.441 8.441 8.164 0.277 25791 8623 1 22 . 1 1 54 54 TYR N N 54 118.505 118.505 119.060 -0.555 25791 8624 1 22 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.924 0.394 25791 8625 1 22 . 1 1 54 54 TYR C C 54 177.535 177.535 177.605 -0.070 25791 8626 1 22 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.421 -1.944 25791 8627 1 22 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.237 -0.451 25791 8628 1 22 . 1 1 54 54 TYR H H 54 7.819 7.819 8.050 -0.231 25791 8629 1 22 . 1 1 55 55 GLN N N 55 117.299 117.299 117.645 -0.346 25791 8630 1 22 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.080 -0.181 25791 8631 1 22 . 1 1 55 55 GLN C C 55 179.041 179.041 178.347 0.694 25791 8632 1 22 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.849 -0.140 25791 8633 1 22 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.585 -0.370 25791 8634 1 22 . 1 1 55 55 GLN H H 55 7.735 7.735 7.712 0.023 25791 8635 1 22 . 1 1 56 56 VAL N N 56 120.879 120.879 120.476 0.403 25791 8636 1 22 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.561 0.231 25791 8637 1 22 . 1 1 56 56 VAL C C 56 178.262 178.262 177.813 0.449 25791 8638 1 22 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.443 -0.501 25791 8639 1 22 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.736 0.143 25791 8640 1 22 . 1 1 56 56 VAL H H 56 8.014 8.014 7.702 0.312 25791 8641 1 22 . 1 1 57 57 GLN N N 57 120.513 120.513 118.770 1.743 25791 8642 1 22 . 1 1 57 57 GLN HA H 57 4.060 4.060 4.018 0.042 25791 8643 1 22 . 1 1 57 57 GLN C C 57 178.772 178.772 178.256 0.516 25791 8644 1 22 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.269 0.347 25791 8645 1 22 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.954 0.031 25791 8646 1 22 . 1 1 57 57 GLN H H 57 8.103 8.103 8.220 -0.117 25791 8647 1 22 . 1 1 58 58 LEU N N 58 121.244 121.244 122.193 -0.949 25791 8648 1 22 . 1 1 58 58 LEU HA H 58 4.005 4.005 4.321 -0.316 25791 8649 1 22 . 1 1 58 58 LEU C C 58 179.134 179.134 178.299 0.835 25791 8650 1 22 . 1 1 58 58 LEU CA C 58 57.506 57.506 56.952 0.554 25791 8651 1 22 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.493 0.310 25791 8652 1 22 . 1 1 58 58 LEU H H 58 8.176 8.176 7.803 0.373 25791 8653 1 22 . 1 1 59 59 ALA N N 59 121.608 121.608 121.090 0.518 25791 8654 1 22 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.907 0.258 25791 8655 1 22 . 1 1 59 59 ALA C C 59 180.497 180.497 179.960 0.537 25791 8656 1 22 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.193 -0.611 25791 8657 1 22 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.104 -0.051 25791 8658 1 22 . 1 1 59 59 ALA H H 59 7.833 7.833 7.990 -0.157 25791 8659 1 22 . 1 1 60 60 GLN N N 60 118.335 118.335 117.559 0.776 25791 8660 1 22 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.966 0.182 25791 8661 1 22 . 1 1 60 60 GLN C C 60 178.334 178.334 178.770 -0.436 25791 8662 1 22 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.675 -0.698 25791 8663 1 22 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.705 -0.270 25791 8664 1 22 . 1 1 60 60 GLN H H 60 8.081 8.081 7.681 0.400 25791 8665 1 22 . 1 1 61 61 GLN N N 61 120.206 120.206 119.730 0.476 25791 8666 1 22 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.993 0.169 25791 8667 1 22 . 1 1 61 61 GLN C C 61 178.002 178.002 178.742 -0.740 25791 8668 1 22 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.855 -0.950 25791 8669 1 22 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.605 -0.025 25791 8670 1 22 . 1 1 61 61 GLN H H 61 8.111 8.111 7.904 0.207 25791 8671 1 22 . 1 1 62 62 GLN N N 62 118.980 118.980 118.323 0.657 25791 8672 1 22 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.021 0.108 25791 8673 1 22 . 1 1 62 62 GLN C C 62 177.624 177.624 178.239 -0.615 25791 8674 1 22 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.568 -0.931 25791 8675 1 22 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.251 0.385 25791 8676 1 22 . 1 1 62 62 GLN H H 62 8.203 8.203 8.653 -0.450 25791 8677 1 22 . 1 1 63 63 ALA N N 63 122.712 122.712 121.760 0.952 25791 8678 1 22 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.168 0.038 25791 8679 1 22 . 1 1 63 63 ALA C C 63 178.922 178.922 178.859 0.063 25791 8680 1 22 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.331 -0.435 25791 8681 1 22 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.092 0.367 25791 8682 1 22 . 1 1 63 63 ALA H H 63 8.004 8.004 7.725 0.279 25791 8683 1 22 . 1 1 64 64 ALA N N 64 120.813 120.813 120.599 0.214 25791 8684 1 22 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.151 0.081 25791 8685 1 22 . 1 1 64 64 ALA C C 64 178.732 178.732 178.406 0.326 25791 8686 1 22 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.279 -0.763 25791 8687 1 22 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.160 -0.530 25791 8688 1 22 . 1 1 64 64 ALA H H 64 7.837 7.837 7.688 0.149 25791 8689 1 22 . 1 1 65 65 LEU N N 65 119.196 119.196 118.282 0.914 25791 8690 1 22 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.357 -0.100 25791 8691 1 22 . 1 1 65 65 LEU C C 65 178.038 178.038 177.538 0.500 25791 8692 1 22 . 1 1 65 65 LEU CA C 65 55.822 55.822 55.903 -0.081 25791 8693 1 22 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.002 0.262 25791 8694 1 22 . 1 1 65 65 LEU H H 65 7.765 7.765 7.239 0.526 25791 8695 1 22 . 1 1 66 66 GLN N N 66 119.365 119.365 115.900 3.465 25791 8696 1 22 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.924 0.351 25791 8697 1 22 . 1 1 66 66 GLN C C 66 176.120 176.120 175.620 0.500 25791 8698 1 22 . 1 1 66 66 GLN CA C 66 56.067 56.067 57.118 -1.051 25791 8699 1 22 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.128 3.004 25791 8700 1 22 . 1 1 66 66 GLN H H 66 7.967 7.967 8.391 -0.424 25791 8701 1 22 . 1 1 67 67 LYS N N 67 121.521 121.521 117.960 3.561 25791 8702 1 22 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.369 -0.060 25791 8703 1 22 . 1 1 67 67 LYS C C 67 176.437 176.437 175.558 0.879 25791 8704 1 22 . 1 1 67 67 LYS CA C 67 56.389 56.389 56.213 0.176 25791 8705 1 22 . 1 1 67 67 LYS CB C 67 33.041 33.041 33.116 -0.075 25791 8706 1 22 . 1 1 67 67 LYS H H 67 8.053 8.053 8.198 -0.145 25791 8707 1 22 . 1 1 68 68 GLN N N 68 121.970 121.970 119.180 2.790 25791 8708 1 22 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.432 -0.093 25791 8709 1 22 . 1 1 68 68 GLN C C 68 175.120 175.120 175.543 -0.423 25791 8710 1 22 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.798 0.202 25791 8711 1 22 . 1 1 68 68 GLN CB C 68 29.498 29.498 28.564 0.934 25791 8712 1 22 . 1 1 68 68 GLN H H 68 8.314 8.314 8.086 0.228 25791 8713 1 23 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.317 0.130 25791 8714 1 23 . 1 1 2 2 GLN C C 2 176.144 176.144 177.676 -1.532 25791 8715 1 23 . 1 1 2 2 GLN CA C 2 56.209 56.209 58.575 -2.366 25791 8716 1 23 . 1 1 2 2 GLN CB C 2 29.459 29.459 28.381 1.078 25791 8717 1 23 . 1 1 3 3 GLN N N 3 122.052 122.052 117.660 4.392 25791 8718 1 23 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.127 0.196 25791 8719 1 23 . 1 1 3 3 GLN C C 3 176.988 176.988 178.069 -1.081 25791 8720 1 23 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.566 -1.163 25791 8721 1 23 . 1 1 3 3 GLN CB C 3 29.239 29.239 27.966 1.272 25791 8722 1 23 . 1 1 3 3 GLN H H 3 8.780 8.780 8.694 0.086 25791 8723 1 23 . 1 1 4 4 LYS N N 4 121.855 121.855 120.247 1.608 25791 8724 1 23 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.194 -0.190 25791 8725 1 23 . 1 1 4 4 LYS C C 4 177.638 177.638 178.499 -0.861 25791 8726 1 23 . 1 1 4 4 LYS CA C 4 60.239 60.239 58.767 1.472 25791 8727 1 23 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.314 0.385 25791 8728 1 23 . 1 1 4 4 LYS H H 4 8.528 8.528 7.646 0.882 25791 8729 1 23 . 1 1 5 5 GLN N N 5 116.397 116.397 119.193 -2.796 25791 8730 1 23 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.838 0.103 25791 8731 1 23 . 1 1 5 5 GLN C C 5 178.761 178.761 178.599 0.162 25791 8732 1 23 . 1 1 5 5 GLN CA C 5 59.349 59.349 59.171 0.178 25791 8733 1 23 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.629 -0.679 25791 8734 1 23 . 1 1 5 5 GLN H H 5 8.223 8.223 7.671 0.552 25791 8735 1 23 . 1 1 6 6 GLN N N 6 119.262 119.262 118.434 0.828 25791 8736 1 23 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.085 0.043 25791 8737 1 23 . 1 1 6 6 GLN C C 6 179.018 179.018 178.292 0.726 25791 8738 1 23 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.885 0.205 25791 8739 1 23 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.204 0.506 25791 8740 1 23 . 1 1 6 6 GLN H H 6 7.848 7.848 7.975 -0.127 25791 8741 1 23 . 1 1 7 7 ILE N N 7 121.296 121.296 120.889 0.407 25791 8742 1 23 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.840 -0.257 25791 8743 1 23 . 1 1 7 7 ILE C C 7 177.833 177.833 178.131 -0.298 25791 8744 1 23 . 1 1 7 7 ILE CA C 7 65.129 65.129 62.824 2.305 25791 8745 1 23 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.096 1.110 25791 8746 1 23 . 1 1 7 7 ILE H H 7 8.095 8.095 7.211 0.884 25791 8747 1 23 . 1 1 8 8 MET N N 8 117.603 117.603 119.003 -1.400 25791 8748 1 23 . 1 1 8 8 MET HA H 8 3.985 3.985 4.023 -0.038 25791 8749 1 23 . 1 1 8 8 MET C C 8 177.355 177.355 178.836 -1.481 25791 8750 1 23 . 1 1 8 8 MET CA C 8 59.932 59.932 59.811 0.121 25791 8751 1 23 . 1 1 8 8 MET CB C 8 32.721 32.721 31.970 0.752 25791 8752 1 23 . 1 1 8 8 MET H H 8 8.672 8.672 8.131 0.541 25791 8753 1 23 . 1 1 9 9 ALA N N 9 118.774 118.774 121.499 -2.725 25791 8754 1 23 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.017 0.029 25791 8755 1 23 . 1 1 9 9 ALA C C 9 180.546 180.546 179.133 1.413 25791 8756 1 23 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.106 0.279 25791 8757 1 23 . 1 1 9 9 ALA CB C 9 17.898 17.898 18.030 -0.132 25791 8758 1 23 . 1 1 9 9 ALA H H 9 7.795 7.795 7.935 -0.140 25791 8759 1 23 . 1 1 10 10 ALA N N 10 120.854 120.854 121.972 -1.118 25791 8760 1 23 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.071 0.134 25791 8761 1 23 . 1 1 10 10 ALA C C 10 181.200 181.200 179.462 1.738 25791 8762 1 23 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.688 0.324 25791 8763 1 23 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.438 0.823 25791 8764 1 23 . 1 1 10 10 ALA H H 10 7.438 7.438 7.615 -0.177 25791 8765 1 23 . 1 1 11 11 LEU N N 11 120.775 120.775 119.001 1.774 25791 8766 1 23 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.859 -0.111 25791 8767 1 23 . 1 1 11 11 LEU C C 11 179.041 179.041 179.277 -0.236 25791 8768 1 23 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.768 0.578 25791 8769 1 23 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.372 -1.395 25791 8770 1 23 . 1 1 11 11 LEU H H 11 8.757 8.757 8.488 0.269 25791 8771 1 23 . 1 1 12 12 ASN N N 12 116.313 116.313 117.170 -0.857 25791 8772 1 23 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.540 0.024 25791 8773 1 23 . 1 1 12 12 ASN C C 12 178.900 178.900 177.500 1.400 25791 8774 1 23 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.572 -1.507 25791 8775 1 23 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.723 -1.730 25791 8776 1 23 . 1 1 12 12 ASN H H 12 8.850 8.850 8.513 0.337 25791 8777 1 23 . 1 1 13 13 SER N N 13 114.747 114.747 115.620 -0.873 25791 8778 1 23 . 1 1 13 13 SER HA H 13 4.370 4.370 4.176 0.194 25791 8779 1 23 . 1 1 13 13 SER C C 13 176.515 176.515 176.561 -0.046 25791 8780 1 23 . 1 1 13 13 SER CA C 13 61.141 61.141 61.746 -0.605 25791 8781 1 23 . 1 1 13 13 SER CB C 13 63.044 63.044 63.110 -0.066 25791 8782 1 23 . 1 1 13 13 SER H H 13 7.672 7.672 7.914 -0.242 25791 8783 1 23 . 1 1 14 14 GLN N N 14 119.954 119.954 119.227 0.727 25791 8784 1 23 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.173 0.045 25791 8785 1 23 . 1 1 14 14 GLN C C 14 178.208 178.208 177.325 0.883 25791 8786 1 23 . 1 1 14 14 GLN CA C 14 57.749 57.749 58.388 -0.639 25791 8787 1 23 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.768 -0.068 25791 8788 1 23 . 1 1 14 14 GLN H H 14 7.573 7.573 7.783 -0.210 25791 8789 1 23 . 1 1 15 15 THR N N 15 107.493 107.493 108.500 -1.007 25791 8790 1 23 . 1 1 15 15 THR HA H 15 3.899 3.899 4.475 -0.576 25791 8791 1 23 . 1 1 15 15 THR C C 15 174.683 174.683 174.350 0.333 25791 8792 1 23 . 1 1 15 15 THR CA C 15 61.551 61.551 60.421 1.130 25791 8793 1 23 . 1 1 15 15 THR CB C 15 69.226 69.226 69.010 0.216 25791 8794 1 23 . 1 1 15 15 THR H H 15 7.741 7.741 7.686 0.055 25791 8795 1 23 . 1 1 16 16 ALA N N 16 124.034 124.034 125.530 -1.496 25791 8796 1 23 . 1 1 16 16 ALA HA H 16 4.135 4.135 3.994 0.141 25791 8797 1 23 . 1 1 16 16 ALA C C 16 179.899 179.899 179.003 0.896 25791 8798 1 23 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.909 0.298 25791 8799 1 23 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.039 0.685 25791 8800 1 23 . 1 1 16 16 ALA H H 16 6.873 6.873 7.122 -0.249 25791 8801 1 23 . 1 1 17 17 VAL N N 17 117.150 117.150 118.034 -0.884 25791 8802 1 23 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.802 -0.088 25791 8803 1 23 . 1 1 17 17 VAL C C 17 178.537 178.537 177.509 1.028 25791 8804 1 23 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.128 1.380 25791 8805 1 23 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.322 0.371 25791 8806 1 23 . 1 1 17 17 VAL H H 17 8.162 8.162 8.203 -0.041 25791 8807 1 23 . 1 1 18 18 GLN N N 18 119.489 119.489 119.505 -0.016 25791 8808 1 23 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.047 0.010 25791 8809 1 23 . 1 1 18 18 GLN C C 18 180.429 180.429 179.076 1.353 25791 8810 1 23 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.245 0.454 25791 8811 1 23 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.446 0.740 25791 8812 1 23 . 1 1 18 18 GLN H H 18 8.451 8.451 8.097 0.354 25791 8813 1 23 . 1 1 19 19 PHE N N 19 117.940 117.940 118.980 -1.040 25791 8814 1 23 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.552 0.278 25791 8815 1 23 . 1 1 19 19 PHE C C 19 177.858 177.858 178.124 -0.266 25791 8816 1 23 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.295 -1.266 25791 8817 1 23 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.246 -2.341 25791 8818 1 23 . 1 1 19 19 PHE H H 19 8.924 8.924 8.630 0.294 25791 8819 1 23 . 1 1 20 20 GLN N N 20 120.297 120.297 119.647 0.650 25791 8820 1 23 . 1 1 20 20 GLN HA H 20 4.106 4.106 4.064 0.042 25791 8821 1 23 . 1 1 20 20 GLN C C 20 178.986 178.986 178.779 0.207 25791 8822 1 23 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.659 -0.096 25791 8823 1 23 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.627 -0.732 25791 8824 1 23 . 1 1 20 20 GLN H H 20 8.264 8.264 8.245 0.019 25791 8825 1 23 . 1 1 21 21 GLN N N 21 118.595 118.595 118.261 0.334 25791 8826 1 23 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.116 -0.034 25791 8827 1 23 . 1 1 21 21 GLN C C 21 178.806 178.806 178.555 0.251 25791 8828 1 23 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.714 0.456 25791 8829 1 23 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.619 -0.423 25791 8830 1 23 . 1 1 21 21 GLN H H 21 8.527 8.527 8.381 0.146 25791 8831 1 23 . 1 1 22 22 TYR N N 22 119.594 119.594 122.153 -2.559 25791 8832 1 23 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.315 -0.068 25791 8833 1 23 . 1 1 22 22 TYR C C 22 177.789 177.789 177.296 0.493 25791 8834 1 23 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.251 1.461 25791 8835 1 23 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.324 0.400 25791 8836 1 23 . 1 1 22 22 TYR H H 22 7.843 7.843 7.834 0.009 25791 8837 1 23 . 1 1 23 23 ALA N N 23 120.663 120.663 121.376 -0.713 25791 8838 1 23 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.736 0.121 25791 8839 1 23 . 1 1 23 23 ALA C C 23 179.319 179.319 178.785 0.534 25791 8840 1 23 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.924 0.665 25791 8841 1 23 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.181 0.301 25791 8842 1 23 . 1 1 23 23 ALA H H 23 8.612 8.612 8.657 -0.045 25791 8843 1 23 . 1 1 24 24 ALA N N 24 119.002 119.002 120.834 -1.832 25791 8844 1 23 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.106 -0.168 25791 8845 1 23 . 1 1 24 24 ALA C C 24 178.987 178.987 178.798 0.189 25791 8846 1 23 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.182 0.135 25791 8847 1 23 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.443 -0.552 25791 8848 1 23 . 1 1 24 24 ALA H H 24 8.168 8.168 8.017 0.151 25791 8849 1 23 . 1 1 25 25 GLN N N 25 115.599 115.599 116.704 -1.105 25791 8850 1 23 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.046 -0.042 25791 8851 1 23 . 1 1 25 25 GLN C C 25 177.818 177.818 178.119 -0.301 25791 8852 1 23 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.157 -0.703 25791 8853 1 23 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.975 -0.520 25791 8854 1 23 . 1 1 25 25 GLN H H 25 7.300 7.300 7.670 -0.370 25791 8855 1 23 . 1 1 26 26 GLN N N 26 116.989 116.989 116.447 0.542 25791 8856 1 23 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.901 -0.197 25791 8857 1 23 . 1 1 26 26 GLN C C 26 175.979 175.979 175.929 0.050 25791 8858 1 23 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.917 -0.129 25791 8859 1 23 . 1 1 26 26 GLN CB C 26 29.080 29.080 30.000 -0.920 25791 8860 1 23 . 1 1 26 26 GLN H H 26 7.401 7.401 7.363 0.038 25791 8861 1 23 . 1 1 27 27 TYR N N 27 114.712 114.712 117.164 -2.452 25791 8862 1 23 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.910 0.168 25791 8863 1 23 . 1 1 27 27 TYR C C 27 172.931 172.931 173.435 -0.504 25791 8864 1 23 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.590 0.577 25791 8865 1 23 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.462 1.198 25791 8866 1 23 . 1 1 27 27 TYR H H 27 7.675 7.675 8.042 -0.367 25791 8867 1 23 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.423 -0.061 25791 8868 1 23 . 1 1 28 28 PRO C C 28 179.333 179.333 178.021 1.312 25791 8869 1 23 . 1 1 28 28 PRO CA C 28 64.394 64.394 64.165 0.229 25791 8870 1 23 . 1 1 28 28 PRO CB C 28 31.254 31.254 31.764 -0.510 25791 8871 1 23 . 1 1 29 29 GLY N N 29 110.091 110.091 112.925 -2.834 25791 8872 1 23 . 1 1 29 29 GLY C C 29 173.218 173.218 174.707 -1.489 25791 8873 1 23 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.270 0.642 25791 8874 1 23 . 1 1 29 29 GLY H H 29 8.826 8.826 8.825 0.001 25791 8875 1 23 . 1 1 30 30 ASN N N 30 118.603 118.603 122.404 -3.801 25791 8876 1 23 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.910 0.089 25791 8877 1 23 . 1 1 30 30 ASN C C 30 173.977 173.977 175.743 -1.766 25791 8878 1 23 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.008 0.177 25791 8879 1 23 . 1 1 30 30 ASN CB C 30 38.426 38.426 38.094 0.332 25791 8880 1 23 . 1 1 30 30 ASN H H 30 7.293 7.293 7.727 -0.434 25791 8881 1 23 . 1 1 31 31 TYR N N 31 125.240 125.240 121.217 4.023 25791 8882 1 23 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.371 -0.473 25791 8883 1 23 . 1 1 31 31 TYR C C 31 177.343 177.343 176.967 0.376 25791 8884 1 23 . 1 1 31 31 TYR CA C 31 61.811 61.811 60.440 1.371 25791 8885 1 23 . 1 1 31 31 TYR CB C 31 38.357 38.357 37.688 0.669 25791 8886 1 23 . 1 1 31 31 TYR H H 31 8.509 8.509 7.941 0.568 25791 8887 1 23 . 1 1 32 32 GLU N N 32 118.993 118.993 118.593 0.400 25791 8888 1 23 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.857 0.043 25791 8889 1 23 . 1 1 32 32 GLU C C 32 179.549 179.549 178.790 0.759 25791 8890 1 23 . 1 1 32 32 GLU CA C 32 60.112 60.112 58.867 1.245 25791 8891 1 23 . 1 1 32 32 GLU CB C 32 29.168 29.168 27.974 1.194 25791 8892 1 23 . 1 1 32 32 GLU H H 32 8.714 8.714 7.630 1.084 25791 8893 1 23 . 1 1 33 33 GLN N N 33 117.037 117.037 119.220 -2.183 25791 8894 1 23 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.841 -0.108 25791 8895 1 23 . 1 1 33 33 GLN C C 33 179.119 179.119 178.548 0.571 25791 8896 1 23 . 1 1 33 33 GLN CA C 33 57.702 57.702 57.974 -0.272 25791 8897 1 23 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.570 0.056 25791 8898 1 23 . 1 1 33 33 GLN H H 33 7.536 7.536 7.532 0.004 25791 8899 1 23 . 1 1 34 34 GLN N N 34 117.723 117.723 119.701 -1.978 25791 8900 1 23 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.034 -0.223 25791 8901 1 23 . 1 1 34 34 GLN C C 34 177.634 177.634 178.613 -0.979 25791 8902 1 23 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.468 0.697 25791 8903 1 23 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.575 -1.074 25791 8904 1 23 . 1 1 34 34 GLN H H 34 7.968 7.968 8.228 -0.260 25791 8905 1 23 . 1 1 35 35 GLN N N 35 115.293 115.293 118.981 -3.688 25791 8906 1 23 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.119 -0.328 25791 8907 1 23 . 1 1 35 35 GLN C C 35 178.757 178.757 178.641 0.116 25791 8908 1 23 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.544 0.066 25791 8909 1 23 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.462 -0.257 25791 8910 1 23 . 1 1 35 35 GLN H H 35 7.870 7.870 7.954 -0.084 25791 8911 1 23 . 1 1 36 36 ILE N N 36 120.769 120.769 120.661 0.108 25791 8912 1 23 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.651 -0.087 25791 8913 1 23 . 1 1 36 36 ILE C C 36 178.273 178.273 178.168 0.105 25791 8914 1 23 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.250 -0.014 25791 8915 1 23 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.654 0.719 25791 8916 1 23 . 1 1 36 36 ILE H H 36 7.503 7.503 8.115 -0.612 25791 8917 1 23 . 1 1 37 37 LEU N N 37 121.056 121.056 121.172 -0.116 25791 8918 1 23 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.048 0.261 25791 8919 1 23 . 1 1 37 37 LEU C C 37 178.348 178.348 178.256 0.092 25791 8920 1 23 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.863 -0.129 25791 8921 1 23 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.752 -0.236 25791 8922 1 23 . 1 1 37 37 LEU H H 37 7.678 7.678 7.877 -0.199 25791 8923 1 23 . 1 1 38 38 ILE N N 38 119.334 119.334 119.895 -0.561 25791 8924 1 23 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.468 -0.127 25791 8925 1 23 . 1 1 38 38 ILE C C 38 177.371 177.371 177.929 -0.558 25791 8926 1 23 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.706 1.379 25791 8927 1 23 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.611 0.738 25791 8928 1 23 . 1 1 38 38 ILE H H 38 8.702 8.702 8.243 0.459 25791 8929 1 23 . 1 1 39 39 ARG N N 39 117.798 117.798 119.765 -1.967 25791 8930 1 23 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.236 -0.021 25791 8931 1 23 . 1 1 39 39 ARG C C 39 179.555 179.555 179.408 0.147 25791 8932 1 23 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.843 -0.383 25791 8933 1 23 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.975 -0.223 25791 8934 1 23 . 1 1 39 39 ARG H H 39 7.739 7.739 8.475 -0.736 25791 8935 1 23 . 1 1 40 40 GLN N N 40 119.432 119.432 118.800 0.632 25791 8936 1 23 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.064 0.073 25791 8937 1 23 . 1 1 40 40 GLN C C 40 179.522 179.522 178.583 0.939 25791 8938 1 23 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.877 0.383 25791 8939 1 23 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.658 -0.300 25791 8940 1 23 . 1 1 40 40 GLN H H 40 7.811 7.811 7.651 0.160 25791 8941 1 23 . 1 1 41 41 LEU N N 41 121.592 121.592 120.680 0.912 25791 8942 1 23 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.799 -0.112 25791 8943 1 23 . 1 1 41 41 LEU C C 41 178.974 178.974 178.946 0.028 25791 8944 1 23 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.670 0.292 25791 8945 1 23 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.889 -1.037 25791 8946 1 23 . 1 1 41 41 LEU H H 41 8.648 8.648 8.027 0.621 25791 8947 1 23 . 1 1 42 42 GLN N N 42 119.054 119.054 118.496 0.558 25791 8948 1 23 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.287 0.257 25791 8949 1 23 . 1 1 42 42 GLN C C 42 180.176 180.176 178.752 1.424 25791 8950 1 23 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.470 -0.236 25791 8951 1 23 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.717 -0.797 25791 8952 1 23 . 1 1 42 42 GLN H H 42 8.641 8.641 8.652 -0.011 25791 8953 1 23 . 1 1 43 43 GLU N N 43 121.517 121.517 121.183 0.334 25791 8954 1 23 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.060 0.176 25791 8955 1 23 . 1 1 43 43 GLU C C 43 179.721 179.721 179.025 0.696 25791 8956 1 23 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.506 0.161 25791 8957 1 23 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.532 -0.274 25791 8958 1 23 . 1 1 43 43 GLU H H 43 8.111 8.111 7.823 0.288 25791 8959 1 23 . 1 1 44 44 GLN N N 44 119.240 119.240 118.550 0.690 25791 8960 1 23 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.295 -0.179 25791 8961 1 23 . 1 1 44 44 GLN C C 44 179.012 179.012 178.429 0.583 25791 8962 1 23 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.830 0.319 25791 8963 1 23 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.931 -0.077 25791 8964 1 23 . 1 1 44 44 GLN H H 44 8.372 8.372 8.447 -0.075 25791 8965 1 23 . 1 1 45 45 HIS N N 45 121.705 121.705 120.832 0.873 25791 8966 1 23 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.280 0.000 25791 8967 1 23 . 1 1 45 45 HIS C C 45 176.395 176.395 177.100 -0.705 25791 8968 1 23 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.200 1.159 25791 8969 1 23 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.543 1.782 25791 8970 1 23 . 1 1 45 45 HIS H H 45 9.472 9.472 8.324 1.148 25791 8971 1 23 . 1 1 46 46 TYR N N 46 119.039 119.039 120.218 -1.179 25791 8972 1 23 . 1 1 46 46 TYR HA H 46 3.849 3.849 3.985 -0.136 25791 8973 1 23 . 1 1 46 46 TYR C C 46 176.664 176.664 177.975 -1.311 25791 8974 1 23 . 1 1 46 46 TYR CA C 46 62.251 62.251 62.090 0.161 25791 8975 1 23 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.404 -0.732 25791 8976 1 23 . 1 1 46 46 TYR H H 46 8.253 8.253 8.129 0.124 25791 8977 1 23 . 1 1 47 47 GLN N N 47 116.407 116.407 117.842 -1.435 25791 8978 1 23 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.883 -0.099 25791 8979 1 23 . 1 1 47 47 GLN C C 47 179.048 179.048 178.489 0.559 25791 8980 1 23 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.242 -0.293 25791 8981 1 23 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.533 -0.352 25791 8982 1 23 . 1 1 47 47 GLN H H 47 7.814 7.814 8.197 -0.383 25791 8983 1 23 . 1 1 48 48 GLN N N 48 119.803 119.803 119.759 0.044 25791 8984 1 23 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.095 -0.118 25791 8985 1 23 . 1 1 48 48 GLN C C 48 177.741 177.741 178.149 -0.408 25791 8986 1 23 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.290 0.024 25791 8987 1 23 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.398 -0.070 25791 8988 1 23 . 1 1 48 48 GLN H H 48 8.645 8.645 8.384 0.261 25791 8989 1 23 . 1 1 49 49 TYR N N 49 121.342 121.342 121.991 -0.649 25791 8990 1 23 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.083 -0.443 25791 8991 1 23 . 1 1 49 49 TYR C C 49 176.021 176.021 177.552 -1.531 25791 8992 1 23 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.667 0.442 25791 8993 1 23 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.184 0.723 25791 8994 1 23 . 1 1 49 49 TYR H H 49 9.105 9.105 8.693 0.412 25791 8995 1 23 . 1 1 50 50 MET N N 50 115.522 115.522 117.984 -2.462 25791 8996 1 23 . 1 1 50 50 MET HA H 50 4.040 4.040 3.649 0.391 25791 8997 1 23 . 1 1 50 50 MET C C 50 179.841 179.841 178.326 1.515 25791 8998 1 23 . 1 1 50 50 MET CA C 50 56.623 56.623 56.760 -0.137 25791 8999 1 23 . 1 1 50 50 MET CB C 50 30.099 30.099 31.638 -1.539 25791 9000 1 23 . 1 1 50 50 MET H H 50 8.060 8.060 8.393 -0.333 25791 9001 1 23 . 1 1 51 51 GLN N N 51 118.942 118.942 118.387 0.555 25791 9002 1 23 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.888 0.177 25791 9003 1 23 . 1 1 51 51 GLN C C 51 178.707 178.707 178.340 0.367 25791 9004 1 23 . 1 1 51 51 GLN CA C 51 58.941 58.941 58.987 -0.046 25791 9005 1 23 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.490 -0.001 25791 9006 1 23 . 1 1 51 51 GLN H H 51 7.830 7.830 7.793 0.037 25791 9007 1 23 . 1 1 52 52 GLN N N 52 119.210 119.210 120.622 -1.412 25791 9008 1 23 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.276 -0.219 25791 9009 1 23 . 1 1 52 52 GLN C C 52 178.738 178.738 178.621 0.117 25791 9010 1 23 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.281 0.468 25791 9011 1 23 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.477 -0.074 25791 9012 1 23 . 1 1 52 52 GLN H H 52 8.187 8.187 8.290 -0.103 25791 9013 1 23 . 1 1 53 53 LEU N N 53 121.233 121.233 121.216 0.017 25791 9014 1 23 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.865 -0.024 25791 9015 1 23 . 1 1 53 53 LEU C C 53 179.191 179.191 178.056 1.135 25791 9016 1 23 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.752 -0.007 25791 9017 1 23 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.218 0.648 25791 9018 1 23 . 1 1 53 53 LEU H H 53 8.441 8.441 8.159 0.282 25791 9019 1 23 . 1 1 54 54 TYR N N 54 118.505 118.505 119.444 -0.939 25791 9020 1 23 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.912 0.406 25791 9021 1 23 . 1 1 54 54 TYR C C 54 177.535 177.535 177.637 -0.102 25791 9022 1 23 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.291 -1.815 25791 9023 1 23 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.532 -0.746 25791 9024 1 23 . 1 1 54 54 TYR H H 54 7.819 7.819 8.246 -0.427 25791 9025 1 23 . 1 1 55 55 GLN N N 55 117.299 117.299 118.161 -0.862 25791 9026 1 23 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.014 -0.115 25791 9027 1 23 . 1 1 55 55 GLN C C 55 179.041 179.041 178.507 0.534 25791 9028 1 23 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.921 -0.212 25791 9029 1 23 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.668 -0.453 25791 9030 1 23 . 1 1 55 55 GLN H H 55 7.735 7.735 8.016 -0.281 25791 9031 1 23 . 1 1 56 56 VAL N N 56 120.879 120.879 120.374 0.505 25791 9032 1 23 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.540 0.252 25791 9033 1 23 . 1 1 56 56 VAL C C 56 178.262 178.262 177.751 0.511 25791 9034 1 23 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.482 -0.540 25791 9035 1 23 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.715 0.164 25791 9036 1 23 . 1 1 56 56 VAL H H 56 8.014 8.014 7.738 0.276 25791 9037 1 23 . 1 1 57 57 GLN N N 57 120.513 120.513 119.096 1.417 25791 9038 1 23 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.989 0.071 25791 9039 1 23 . 1 1 57 57 GLN C C 57 178.772 178.772 178.146 0.626 25791 9040 1 23 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.234 0.382 25791 9041 1 23 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.834 0.152 25791 9042 1 23 . 1 1 57 57 GLN H H 57 8.103 8.103 7.838 0.265 25791 9043 1 23 . 1 1 58 58 LEU N N 58 121.244 121.244 121.169 0.075 25791 9044 1 23 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.868 0.137 25791 9045 1 23 . 1 1 58 58 LEU C C 58 179.134 179.134 177.956 1.178 25791 9046 1 23 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.589 -0.083 25791 9047 1 23 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.727 0.076 25791 9048 1 23 . 1 1 58 58 LEU H H 58 8.176 8.176 8.091 0.085 25791 9049 1 23 . 1 1 59 59 ALA N N 59 121.608 121.608 120.979 0.629 25791 9050 1 23 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.874 0.291 25791 9051 1 23 . 1 1 59 59 ALA C C 59 180.497 180.497 179.795 0.702 25791 9052 1 23 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.166 -0.584 25791 9053 1 23 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.033 0.020 25791 9054 1 23 . 1 1 59 59 ALA H H 59 7.833 7.833 7.971 -0.138 25791 9055 1 23 . 1 1 60 60 GLN N N 60 118.335 118.335 117.838 0.497 25791 9056 1 23 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.937 0.211 25791 9057 1 23 . 1 1 60 60 GLN C C 60 178.334 178.334 178.550 -0.216 25791 9058 1 23 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.625 -0.648 25791 9059 1 23 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.640 -0.205 25791 9060 1 23 . 1 1 60 60 GLN H H 60 8.081 8.081 7.729 0.352 25791 9061 1 23 . 1 1 61 61 GLN N N 61 120.206 120.206 120.001 0.205 25791 9062 1 23 . 1 1 61 61 GLN HA H 61 4.162 4.162 4.026 0.136 25791 9063 1 23 . 1 1 61 61 GLN C C 61 178.002 178.002 178.548 -0.546 25791 9064 1 23 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.694 -0.789 25791 9065 1 23 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.215 0.364 25791 9066 1 23 . 1 1 61 61 GLN H H 61 8.111 8.111 7.875 0.236 25791 9067 1 23 . 1 1 62 62 GLN N N 62 118.980 118.980 118.651 0.329 25791 9068 1 23 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.040 0.089 25791 9069 1 23 . 1 1 62 62 GLN C C 62 177.624 177.624 178.250 -0.626 25791 9070 1 23 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.464 -0.827 25791 9071 1 23 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.415 0.221 25791 9072 1 23 . 1 1 62 62 GLN H H 62 8.203 8.203 8.566 -0.363 25791 9073 1 23 . 1 1 63 63 ALA N N 63 122.712 122.712 121.908 0.804 25791 9074 1 23 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.133 0.073 25791 9075 1 23 . 1 1 63 63 ALA C C 63 178.922 178.922 179.086 -0.164 25791 9076 1 23 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.403 -0.507 25791 9077 1 23 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.191 0.268 25791 9078 1 23 . 1 1 63 63 ALA H H 63 8.004 8.004 7.823 0.181 25791 9079 1 23 . 1 1 64 64 ALA N N 64 120.813 120.813 120.808 0.005 25791 9080 1 23 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.109 0.123 25791 9081 1 23 . 1 1 64 64 ALA C C 64 178.732 178.732 178.967 -0.235 25791 9082 1 23 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.109 -0.593 25791 9083 1 23 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.068 -0.438 25791 9084 1 23 . 1 1 64 64 ALA H H 64 7.837 7.837 7.748 0.089 25791 9085 1 23 . 1 1 65 65 LEU N N 65 119.196 119.196 119.718 -0.522 25791 9086 1 23 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.177 0.080 25791 9087 1 23 . 1 1 65 65 LEU C C 65 178.038 178.038 178.149 -0.111 25791 9088 1 23 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.693 -0.871 25791 9089 1 23 . 1 1 65 65 LEU CB C 65 42.264 42.264 41.826 0.438 25791 9090 1 23 . 1 1 65 65 LEU H H 65 7.765 7.765 7.917 -0.152 25791 9091 1 23 . 1 1 66 66 GLN N N 66 119.365 119.365 115.406 3.959 25791 9092 1 23 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.921 0.354 25791 9093 1 23 . 1 1 66 66 GLN C C 66 176.120 176.120 175.584 0.536 25791 9094 1 23 . 1 1 66 66 GLN CA C 66 56.067 56.067 57.227 -1.160 25791 9095 1 23 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.720 2.412 25791 9096 1 23 . 1 1 66 66 GLN H H 66 7.967 7.967 8.195 -0.228 25791 9097 1 23 . 1 1 67 67 LYS N N 67 121.521 121.521 117.602 3.919 25791 9098 1 23 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.371 -0.062 25791 9099 1 23 . 1 1 67 67 LYS C C 67 176.437 176.437 175.443 0.994 25791 9100 1 23 . 1 1 67 67 LYS CA C 67 56.389 56.389 56.207 0.182 25791 9101 1 23 . 1 1 67 67 LYS CB C 67 33.041 33.041 32.892 0.150 25791 9102 1 23 . 1 1 67 67 LYS H H 67 8.053 8.053 8.072 -0.019 25791 9103 1 23 . 1 1 68 68 GLN N N 68 121.970 121.970 120.399 1.571 25791 9104 1 23 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.244 0.095 25791 9105 1 23 . 1 1 68 68 GLN C C 68 175.120 175.120 176.180 -1.060 25791 9106 1 23 . 1 1 68 68 GLN CA C 68 56.000 56.000 56.277 -0.277 25791 9107 1 23 . 1 1 68 68 GLN CB C 68 29.498 29.498 27.324 2.174 25791 9108 1 23 . 1 1 68 68 GLN H H 68 8.314 8.314 8.234 0.080 25791 9109 1 24 . 1 1 2 2 GLN HA H 2 4.447 4.447 3.999 0.448 25791 9110 1 24 . 1 1 2 2 GLN C C 2 176.144 176.144 176.132 0.012 25791 9111 1 24 . 1 1 2 2 GLN CA C 2 56.209 56.209 56.990 -0.781 25791 9112 1 24 . 1 1 2 2 GLN CB C 2 29.459 29.459 27.358 2.101 25791 9113 1 24 . 1 1 3 3 GLN N N 3 122.052 122.052 119.416 2.636 25791 9114 1 24 . 1 1 3 3 GLN HA H 3 4.323 4.323 3.932 0.391 25791 9115 1 24 . 1 1 3 3 GLN C C 3 176.988 176.988 178.159 -1.171 25791 9116 1 24 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.596 -1.193 25791 9117 1 24 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.364 0.875 25791 9118 1 24 . 1 1 3 3 GLN H H 3 8.780 8.780 8.601 0.179 25791 9119 1 24 . 1 1 4 4 LYS N N 4 121.855 121.855 118.926 2.929 25791 9120 1 24 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.074 -0.070 25791 9121 1 24 . 1 1 4 4 LYS C C 4 177.638 177.638 178.809 -1.171 25791 9122 1 24 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.491 0.748 25791 9123 1 24 . 1 1 4 4 LYS CB C 4 32.699 32.699 31.908 0.791 25791 9124 1 24 . 1 1 4 4 LYS H H 4 8.528 8.528 8.278 0.250 25791 9125 1 24 . 1 1 5 5 GLN N N 5 116.397 116.397 118.231 -1.834 25791 9126 1 24 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.987 -0.046 25791 9127 1 24 . 1 1 5 5 GLN C C 5 178.761 178.761 178.515 0.246 25791 9128 1 24 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.890 0.459 25791 9129 1 24 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.157 -0.207 25791 9130 1 24 . 1 1 5 5 GLN H H 5 8.223 8.223 7.648 0.575 25791 9131 1 24 . 1 1 6 6 GLN N N 6 119.262 119.262 118.840 0.422 25791 9132 1 24 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.097 0.031 25791 9133 1 24 . 1 1 6 6 GLN C C 6 179.018 179.018 178.496 0.522 25791 9134 1 24 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.697 0.392 25791 9135 1 24 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.160 0.550 25791 9136 1 24 . 1 1 6 6 GLN H H 6 7.848 7.848 7.879 -0.031 25791 9137 1 24 . 1 1 7 7 ILE N N 7 121.296 121.296 121.347 -0.051 25791 9138 1 24 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.838 -0.255 25791 9139 1 24 . 1 1 7 7 ILE C C 7 177.833 177.833 178.131 -0.298 25791 9140 1 24 . 1 1 7 7 ILE CA C 7 65.129 65.129 62.990 2.139 25791 9141 1 24 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.114 1.092 25791 9142 1 24 . 1 1 7 7 ILE H H 7 8.095 8.095 7.380 0.715 25791 9143 1 24 . 1 1 8 8 MET N N 8 117.603 117.603 119.021 -1.418 25791 9144 1 24 . 1 1 8 8 MET HA H 8 3.985 3.985 4.086 -0.101 25791 9145 1 24 . 1 1 8 8 MET C C 8 177.355 177.355 178.596 -1.241 25791 9146 1 24 . 1 1 8 8 MET CA C 8 59.932 59.932 59.597 0.335 25791 9147 1 24 . 1 1 8 8 MET CB C 8 32.721 32.721 32.075 0.645 25791 9148 1 24 . 1 1 8 8 MET H H 8 8.672 8.672 8.380 0.292 25791 9149 1 24 . 1 1 9 9 ALA N N 9 118.774 118.774 121.528 -2.754 25791 9150 1 24 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.017 0.029 25791 9151 1 24 . 1 1 9 9 ALA C C 9 180.546 180.546 179.356 1.190 25791 9152 1 24 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.183 0.202 25791 9153 1 24 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.944 -0.046 25791 9154 1 24 . 1 1 9 9 ALA H H 9 7.795 7.795 8.455 -0.660 25791 9155 1 24 . 1 1 10 10 ALA N N 10 120.854 120.854 121.453 -0.599 25791 9156 1 24 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.072 0.133 25791 9157 1 24 . 1 1 10 10 ALA C C 10 181.200 181.200 179.591 1.609 25791 9158 1 24 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.861 0.151 25791 9159 1 24 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.244 1.017 25791 9160 1 24 . 1 1 10 10 ALA H H 10 7.438 7.438 7.557 -0.119 25791 9161 1 24 . 1 1 11 11 LEU N N 11 120.775 120.775 118.772 2.003 25791 9162 1 24 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.749 -0.001 25791 9163 1 24 . 1 1 11 11 LEU C C 11 179.041 179.041 179.340 -0.299 25791 9164 1 24 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.949 0.397 25791 9165 1 24 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.176 -1.199 25791 9166 1 24 . 1 1 11 11 LEU H H 11 8.757 8.757 8.607 0.150 25791 9167 1 24 . 1 1 12 12 ASN N N 12 116.313 116.313 117.087 -0.774 25791 9168 1 24 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.677 -0.113 25791 9169 1 24 . 1 1 12 12 ASN C C 12 178.900 178.900 176.637 2.263 25791 9170 1 24 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.636 -1.571 25791 9171 1 24 . 1 1 12 12 ASN CB C 12 36.993 36.993 37.960 -0.967 25791 9172 1 24 . 1 1 12 12 ASN H H 12 8.850 8.850 8.565 0.285 25791 9173 1 24 . 1 1 13 13 SER N N 13 114.747 114.747 114.645 0.102 25791 9174 1 24 . 1 1 13 13 SER HA H 13 4.370 4.370 4.306 0.064 25791 9175 1 24 . 1 1 13 13 SER C C 13 176.515 176.515 176.919 -0.404 25791 9176 1 24 . 1 1 13 13 SER CA C 13 61.141 61.141 61.304 -0.163 25791 9177 1 24 . 1 1 13 13 SER CB C 13 63.044 63.044 63.449 -0.405 25791 9178 1 24 . 1 1 13 13 SER H H 13 7.672 7.672 7.699 -0.027 25791 9179 1 24 . 1 1 14 14 GLN N N 14 119.954 119.954 118.127 1.827 25791 9180 1 24 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.194 0.024 25791 9181 1 24 . 1 1 14 14 GLN C C 14 178.208 178.208 177.128 1.080 25791 9182 1 24 . 1 1 14 14 GLN CA C 14 57.749 57.749 58.224 -0.475 25791 9183 1 24 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.616 0.084 25791 9184 1 24 . 1 1 14 14 GLN H H 14 7.573 7.573 7.924 -0.351 25791 9185 1 24 . 1 1 15 15 THR N N 15 107.493 107.493 107.762 -0.269 25791 9186 1 24 . 1 1 15 15 THR HA H 15 3.899 3.899 4.372 -0.473 25791 9187 1 24 . 1 1 15 15 THR C C 15 174.683 174.683 174.436 0.247 25791 9188 1 24 . 1 1 15 15 THR CA C 15 61.551 61.551 60.492 1.059 25791 9189 1 24 . 1 1 15 15 THR CB C 15 69.226 69.226 69.503 -0.277 25791 9190 1 24 . 1 1 15 15 THR H H 15 7.741 7.741 7.384 0.357 25791 9191 1 24 . 1 1 16 16 ALA N N 16 124.034 124.034 126.227 -2.193 25791 9192 1 24 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.080 0.055 25791 9193 1 24 . 1 1 16 16 ALA C C 16 179.899 179.899 178.608 1.291 25791 9194 1 24 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.861 0.346 25791 9195 1 24 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.235 0.489 25791 9196 1 24 . 1 1 16 16 ALA H H 16 6.873 6.873 7.448 -0.575 25791 9197 1 24 . 1 1 17 17 VAL N N 17 117.150 117.150 118.206 -1.056 25791 9198 1 24 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.684 0.030 25791 9199 1 24 . 1 1 17 17 VAL C C 17 178.537 178.537 177.199 1.338 25791 9200 1 24 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.436 1.072 25791 9201 1 24 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.578 0.115 25791 9202 1 24 . 1 1 17 17 VAL H H 17 8.162 8.162 8.397 -0.235 25791 9203 1 24 . 1 1 18 18 GLN N N 18 119.489 119.489 119.335 0.154 25791 9204 1 24 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.029 0.028 25791 9205 1 24 . 1 1 18 18 GLN C C 18 180.429 180.429 178.882 1.547 25791 9206 1 24 . 1 1 18 18 GLN CA C 18 59.699 59.699 58.870 0.829 25791 9207 1 24 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.479 0.707 25791 9208 1 24 . 1 1 18 18 GLN H H 18 8.451 8.451 8.068 0.383 25791 9209 1 24 . 1 1 19 19 PHE N N 19 117.940 117.940 118.765 -0.825 25791 9210 1 24 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.466 0.364 25791 9211 1 24 . 1 1 19 19 PHE C C 19 177.858 177.858 178.189 -0.331 25791 9212 1 24 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.779 -1.750 25791 9213 1 24 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.256 -2.351 25791 9214 1 24 . 1 1 19 19 PHE H H 19 8.924 8.924 8.632 0.292 25791 9215 1 24 . 1 1 20 20 GLN N N 20 120.297 120.297 119.532 0.765 25791 9216 1 24 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.957 0.149 25791 9217 1 24 . 1 1 20 20 GLN C C 20 178.986 178.986 178.672 0.314 25791 9218 1 24 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.728 -0.165 25791 9219 1 24 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.505 -0.610 25791 9220 1 24 . 1 1 20 20 GLN H H 20 8.264 8.264 8.272 -0.008 25791 9221 1 24 . 1 1 21 21 GLN N N 21 118.595 118.595 119.099 -0.504 25791 9222 1 24 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.074 0.008 25791 9223 1 24 . 1 1 21 21 GLN C C 21 178.806 178.806 178.659 0.147 25791 9224 1 24 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.924 0.246 25791 9225 1 24 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.865 -0.669 25791 9226 1 24 . 1 1 21 21 GLN H H 21 8.527 8.527 8.466 0.061 25791 9227 1 24 . 1 1 22 22 TYR N N 22 119.594 119.594 120.837 -1.243 25791 9228 1 24 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.173 0.074 25791 9229 1 24 . 1 1 22 22 TYR C C 22 177.789 177.789 176.956 0.833 25791 9230 1 24 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.447 1.265 25791 9231 1 24 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.401 0.322 25791 9232 1 24 . 1 1 22 22 TYR H H 22 7.843 7.843 7.881 -0.038 25791 9233 1 24 . 1 1 23 23 ALA N N 23 120.663 120.663 121.496 -0.833 25791 9234 1 24 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.717 0.140 25791 9235 1 24 . 1 1 23 23 ALA C C 23 179.319 179.319 178.670 0.649 25791 9236 1 24 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.940 0.649 25791 9237 1 24 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.165 0.317 25791 9238 1 24 . 1 1 23 23 ALA H H 23 8.612 8.612 8.670 -0.058 25791 9239 1 24 . 1 1 24 24 ALA N N 24 119.002 119.002 119.397 -0.395 25791 9240 1 24 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.145 -0.207 25791 9241 1 24 . 1 1 24 24 ALA C C 24 178.987 178.987 179.001 -0.014 25791 9242 1 24 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.134 0.183 25791 9243 1 24 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.520 -0.629 25791 9244 1 24 . 1 1 24 24 ALA H H 24 8.168 8.168 8.122 0.046 25791 9245 1 24 . 1 1 25 25 GLN N N 25 115.599 115.599 117.262 -1.663 25791 9246 1 24 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.034 -0.030 25791 9247 1 24 . 1 1 25 25 GLN C C 25 177.818 177.818 178.141 -0.323 25791 9248 1 24 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.167 -0.714 25791 9249 1 24 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.720 -0.265 25791 9250 1 24 . 1 1 25 25 GLN H H 25 7.300 7.300 7.410 -0.110 25791 9251 1 24 . 1 1 26 26 GLN N N 26 116.989 116.989 116.511 0.478 25791 9252 1 24 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.892 -0.188 25791 9253 1 24 . 1 1 26 26 GLN C C 26 175.979 175.979 176.062 -0.083 25791 9254 1 24 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.983 -0.195 25791 9255 1 24 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.455 -0.375 25791 9256 1 24 . 1 1 26 26 GLN H H 26 7.401 7.401 7.312 0.089 25791 9257 1 24 . 1 1 27 27 TYR N N 27 114.712 114.712 118.002 -3.290 25791 9258 1 24 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.877 0.201 25791 9259 1 24 . 1 1 27 27 TYR C C 27 172.931 172.931 173.676 -0.745 25791 9260 1 24 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.761 0.405 25791 9261 1 24 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.385 1.275 25791 9262 1 24 . 1 1 27 27 TYR H H 27 7.675 7.675 8.104 -0.429 25791 9263 1 24 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.361 0.001 25791 9264 1 24 . 1 1 28 28 PRO C C 28 179.333 179.333 178.110 1.223 25791 9265 1 24 . 1 1 28 28 PRO CA C 28 64.394 64.394 63.854 0.540 25791 9266 1 24 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.267 -1.013 25791 9267 1 24 . 1 1 29 29 GLY N N 29 110.091 110.091 113.018 -2.927 25791 9268 1 24 . 1 1 29 29 GLY C C 29 173.218 173.218 174.470 -1.252 25791 9269 1 24 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.685 0.227 25791 9270 1 24 . 1 1 29 29 GLY H H 29 8.826 8.826 8.781 0.045 25791 9271 1 24 . 1 1 30 30 ASN N N 30 118.603 118.603 121.047 -2.444 25791 9272 1 24 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.939 0.060 25791 9273 1 24 . 1 1 30 30 ASN C C 30 173.977 173.977 175.124 -1.147 25791 9274 1 24 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.734 -0.549 25791 9275 1 24 . 1 1 30 30 ASN CB C 30 38.426 38.426 37.236 1.190 25791 9276 1 24 . 1 1 30 30 ASN H H 30 7.293 7.293 7.559 -0.266 25791 9277 1 24 . 1 1 31 31 TYR N N 31 125.240 125.240 126.747 -1.507 25791 9278 1 24 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.048 -0.150 25791 9279 1 24 . 1 1 31 31 TYR C C 31 177.343 177.343 176.914 0.429 25791 9280 1 24 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.694 -0.883 25791 9281 1 24 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.758 -0.401 25791 9282 1 24 . 1 1 31 31 TYR H H 31 8.509 8.509 7.917 0.592 25791 9283 1 24 . 1 1 32 32 GLU N N 32 118.993 118.993 117.833 1.160 25791 9284 1 24 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.788 0.112 25791 9285 1 24 . 1 1 32 32 GLU C C 32 179.549 179.549 178.692 0.857 25791 9286 1 24 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.974 0.138 25791 9287 1 24 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.838 0.330 25791 9288 1 24 . 1 1 32 32 GLU H H 32 8.714 8.714 8.755 -0.041 25791 9289 1 24 . 1 1 33 33 GLN N N 33 117.037 117.037 117.869 -0.832 25791 9290 1 24 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.796 -0.063 25791 9291 1 24 . 1 1 33 33 GLN C C 33 179.119 179.119 178.544 0.575 25791 9292 1 24 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.443 -0.741 25791 9293 1 24 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.597 0.029 25791 9294 1 24 . 1 1 33 33 GLN H H 33 7.536 7.536 8.326 -0.790 25791 9295 1 24 . 1 1 34 34 GLN N N 34 117.723 117.723 119.533 -1.810 25791 9296 1 24 . 1 1 34 34 GLN HA H 34 3.811 3.811 3.973 -0.162 25791 9297 1 24 . 1 1 34 34 GLN C C 34 177.634 177.634 178.482 -0.848 25791 9298 1 24 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.351 0.814 25791 9299 1 24 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.485 -0.984 25791 9300 1 24 . 1 1 34 34 GLN H H 34 7.968 7.968 8.228 -0.260 25791 9301 1 24 . 1 1 35 35 GLN N N 35 115.293 115.293 118.794 -3.501 25791 9302 1 24 . 1 1 35 35 GLN HA H 35 3.791 3.791 3.936 -0.145 25791 9303 1 24 . 1 1 35 35 GLN C C 35 178.757 178.757 178.680 0.077 25791 9304 1 24 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.433 0.177 25791 9305 1 24 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.183 0.022 25791 9306 1 24 . 1 1 35 35 GLN H H 35 7.870 7.870 7.845 0.025 25791 9307 1 24 . 1 1 36 36 ILE N N 36 120.769 120.769 120.471 0.298 25791 9308 1 24 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.642 -0.078 25791 9309 1 24 . 1 1 36 36 ILE C C 36 178.273 178.273 178.000 0.273 25791 9310 1 24 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.157 0.079 25791 9311 1 24 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.685 0.688 25791 9312 1 24 . 1 1 36 36 ILE H H 36 7.503 7.503 8.058 -0.555 25791 9313 1 24 . 1 1 37 37 LEU N N 37 121.056 121.056 121.649 -0.593 25791 9314 1 24 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.002 0.307 25791 9315 1 24 . 1 1 37 37 LEU C C 37 178.348 178.348 178.157 0.191 25791 9316 1 24 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.948 -0.214 25791 9317 1 24 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.624 -0.108 25791 9318 1 24 . 1 1 37 37 LEU H H 37 7.678 7.678 7.799 -0.121 25791 9319 1 24 . 1 1 38 38 ILE N N 38 119.334 119.334 119.340 -0.006 25791 9320 1 24 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.384 -0.043 25791 9321 1 24 . 1 1 38 38 ILE C C 38 177.371 177.371 177.915 -0.544 25791 9322 1 24 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.653 1.432 25791 9323 1 24 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.497 0.852 25791 9324 1 24 . 1 1 38 38 ILE H H 38 8.702 8.702 8.402 0.300 25791 9325 1 24 . 1 1 39 39 ARG N N 39 117.798 117.798 119.999 -2.201 25791 9326 1 24 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.155 0.060 25791 9327 1 24 . 1 1 39 39 ARG C C 39 179.555 179.555 179.205 0.350 25791 9328 1 24 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.671 -0.212 25791 9329 1 24 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.954 -0.202 25791 9330 1 24 . 1 1 39 39 ARG H H 39 7.739 7.739 8.088 -0.349 25791 9331 1 24 . 1 1 40 40 GLN N N 40 119.432 119.432 118.403 1.029 25791 9332 1 24 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.063 0.074 25791 9333 1 24 . 1 1 40 40 GLN C C 40 179.522 179.522 178.530 0.992 25791 9334 1 24 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.498 0.761 25791 9335 1 24 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.500 -0.142 25791 9336 1 24 . 1 1 40 40 GLN H H 40 7.811 7.811 7.642 0.169 25791 9337 1 24 . 1 1 41 41 LEU N N 41 121.592 121.592 120.164 1.428 25791 9338 1 24 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.684 0.003 25791 9339 1 24 . 1 1 41 41 LEU C C 41 178.974 178.974 179.000 -0.026 25791 9340 1 24 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.616 0.347 25791 9341 1 24 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.768 -0.916 25791 9342 1 24 . 1 1 41 41 LEU H H 41 8.648 8.648 8.249 0.399 25791 9343 1 24 . 1 1 42 42 GLN N N 42 119.054 119.054 118.475 0.579 25791 9344 1 24 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.242 0.302 25791 9345 1 24 . 1 1 42 42 GLN C C 42 180.176 180.176 178.753 1.423 25791 9346 1 24 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.306 -0.072 25791 9347 1 24 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.759 -0.839 25791 9348 1 24 . 1 1 42 42 GLN H H 42 8.641 8.641 8.433 0.208 25791 9349 1 24 . 1 1 43 43 GLU N N 43 121.517 121.517 121.425 0.092 25791 9350 1 24 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.021 0.215 25791 9351 1 24 . 1 1 43 43 GLU C C 43 179.721 179.721 178.953 0.768 25791 9352 1 24 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.674 -0.007 25791 9353 1 24 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.472 -0.214 25791 9354 1 24 . 1 1 43 43 GLU H H 43 8.111 8.111 8.012 0.099 25791 9355 1 24 . 1 1 44 44 GLN N N 44 119.240 119.240 118.619 0.621 25791 9356 1 24 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.256 -0.140 25791 9357 1 24 . 1 1 44 44 GLN C C 44 179.012 179.012 178.480 0.532 25791 9358 1 24 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.928 0.221 25791 9359 1 24 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.807 0.047 25791 9360 1 24 . 1 1 44 44 GLN H H 44 8.372 8.372 8.149 0.223 25791 9361 1 24 . 1 1 45 45 HIS N N 45 121.705 121.705 120.648 1.057 25791 9362 1 24 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.283 -0.003 25791 9363 1 24 . 1 1 45 45 HIS C C 45 176.395 176.395 177.311 -0.916 25791 9364 1 24 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.106 1.253 25791 9365 1 24 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.526 1.799 25791 9366 1 24 . 1 1 45 45 HIS H H 45 9.472 9.472 8.365 1.107 25791 9367 1 24 . 1 1 46 46 TYR N N 46 119.039 119.039 120.080 -1.041 25791 9368 1 24 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.038 -0.189 25791 9369 1 24 . 1 1 46 46 TYR C C 46 176.664 176.664 178.030 -1.366 25791 9370 1 24 . 1 1 46 46 TYR CA C 46 62.251 62.251 62.136 0.115 25791 9371 1 24 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.491 -0.819 25791 9372 1 24 . 1 1 46 46 TYR H H 46 8.253 8.253 8.457 -0.204 25791 9373 1 24 . 1 1 47 47 GLN N N 47 116.407 116.407 117.960 -1.553 25791 9374 1 24 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.881 -0.097 25791 9375 1 24 . 1 1 47 47 GLN C C 47 179.048 179.048 178.458 0.590 25791 9376 1 24 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.356 -0.407 25791 9377 1 24 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.516 -0.335 25791 9378 1 24 . 1 1 47 47 GLN H H 47 7.814 7.814 8.357 -0.543 25791 9379 1 24 . 1 1 48 48 GLN N N 48 119.803 119.803 119.456 0.347 25791 9380 1 24 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.082 -0.105 25791 9381 1 24 . 1 1 48 48 GLN C C 48 177.741 177.741 178.096 -0.355 25791 9382 1 24 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.450 -0.136 25791 9383 1 24 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.491 -0.163 25791 9384 1 24 . 1 1 48 48 GLN H H 48 8.645 8.645 8.413 0.232 25791 9385 1 24 . 1 1 49 49 TYR N N 49 121.342 121.342 121.705 -0.363 25791 9386 1 24 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.113 -0.473 25791 9387 1 24 . 1 1 49 49 TYR C C 49 176.021 176.021 177.517 -1.496 25791 9388 1 24 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.478 0.631 25791 9389 1 24 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.247 0.660 25791 9390 1 24 . 1 1 49 49 TYR H H 49 9.105 9.105 8.537 0.568 25791 9391 1 24 . 1 1 50 50 MET N N 50 115.522 115.522 118.304 -2.782 25791 9392 1 24 . 1 1 50 50 MET HA H 50 4.040 4.040 3.701 0.339 25791 9393 1 24 . 1 1 50 50 MET C C 50 179.841 179.841 178.284 1.557 25791 9394 1 24 . 1 1 50 50 MET CA C 50 56.623 56.623 56.885 -0.261 25791 9395 1 24 . 1 1 50 50 MET CB C 50 30.099 30.099 31.698 -1.599 25791 9396 1 24 . 1 1 50 50 MET H H 50 8.060 8.060 8.349 -0.289 25791 9397 1 24 . 1 1 51 51 GLN N N 51 118.942 118.942 117.864 1.078 25791 9398 1 24 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.904 0.161 25791 9399 1 24 . 1 1 51 51 GLN C C 51 178.707 178.707 178.689 0.018 25791 9400 1 24 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.138 -0.197 25791 9401 1 24 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.209 0.280 25791 9402 1 24 . 1 1 51 51 GLN H H 51 7.830 7.830 7.828 0.002 25791 9403 1 24 . 1 1 52 52 GLN N N 52 119.210 119.210 119.719 -0.509 25791 9404 1 24 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.157 -0.100 25791 9405 1 24 . 1 1 52 52 GLN C C 52 178.738 178.738 178.396 0.342 25791 9406 1 24 . 1 1 52 52 GLN CA C 52 58.749 58.749 57.988 0.761 25791 9407 1 24 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.470 -0.066 25791 9408 1 24 . 1 1 52 52 GLN H H 52 8.187 8.187 7.910 0.277 25791 9409 1 24 . 1 1 53 53 LEU N N 53 121.233 121.233 121.622 -0.389 25791 9410 1 24 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.844 -0.003 25791 9411 1 24 . 1 1 53 53 LEU C C 53 179.191 179.191 177.934 1.257 25791 9412 1 24 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.765 -0.020 25791 9413 1 24 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.244 0.622 25791 9414 1 24 . 1 1 53 53 LEU H H 53 8.441 8.441 8.159 0.282 25791 9415 1 24 . 1 1 54 54 TYR N N 54 118.505 118.505 119.410 -0.905 25791 9416 1 24 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.881 0.437 25791 9417 1 24 . 1 1 54 54 TYR C C 54 177.535 177.535 177.378 0.157 25791 9418 1 24 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.468 -1.991 25791 9419 1 24 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.384 -0.598 25791 9420 1 24 . 1 1 54 54 TYR H H 54 7.819 7.819 8.348 -0.529 25791 9421 1 24 . 1 1 55 55 GLN N N 55 117.299 117.299 117.287 0.012 25791 9422 1 24 . 1 1 55 55 GLN HA H 55 3.899 3.899 3.986 -0.087 25791 9423 1 24 . 1 1 55 55 GLN C C 55 179.041 179.041 178.292 0.749 25791 9424 1 24 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.901 -0.192 25791 9425 1 24 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.492 -0.277 25791 9426 1 24 . 1 1 55 55 GLN H H 55 7.735 7.735 7.768 -0.033 25791 9427 1 24 . 1 1 56 56 VAL N N 56 120.879 120.879 120.102 0.777 25791 9428 1 24 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.612 0.180 25791 9429 1 24 . 1 1 56 56 VAL C C 56 178.262 178.262 177.907 0.355 25791 9430 1 24 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.330 -0.388 25791 9431 1 24 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.504 0.375 25791 9432 1 24 . 1 1 56 56 VAL H H 56 8.014 8.014 7.542 0.472 25791 9433 1 24 . 1 1 57 57 GLN N N 57 120.513 120.513 119.801 0.712 25791 9434 1 24 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.993 0.067 25791 9435 1 24 . 1 1 57 57 GLN C C 57 178.772 178.772 178.215 0.557 25791 9436 1 24 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.156 0.460 25791 9437 1 24 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.824 0.161 25791 9438 1 24 . 1 1 57 57 GLN H H 57 8.103 8.103 8.235 -0.132 25791 9439 1 24 . 1 1 58 58 LEU N N 58 121.244 121.244 121.617 -0.373 25791 9440 1 24 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.881 0.124 25791 9441 1 24 . 1 1 58 58 LEU C C 58 179.134 179.134 178.179 0.955 25791 9442 1 24 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.241 0.265 25791 9443 1 24 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.106 0.697 25791 9444 1 24 . 1 1 58 58 LEU H H 58 8.176 8.176 7.945 0.231 25791 9445 1 24 . 1 1 59 59 ALA N N 59 121.608 121.608 120.871 0.737 25791 9446 1 24 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.873 0.292 25791 9447 1 24 . 1 1 59 59 ALA C C 59 180.497 180.497 179.917 0.580 25791 9448 1 24 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.233 -0.651 25791 9449 1 24 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.089 -0.036 25791 9450 1 24 . 1 1 59 59 ALA H H 59 7.833 7.833 8.003 -0.170 25791 9451 1 24 . 1 1 60 60 GLN N N 60 118.335 118.335 117.659 0.676 25791 9452 1 24 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.985 0.163 25791 9453 1 24 . 1 1 60 60 GLN C C 60 178.334 178.334 178.538 -0.204 25791 9454 1 24 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.410 -0.432 25791 9455 1 24 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.741 -0.306 25791 9456 1 24 . 1 1 60 60 GLN H H 60 8.081 8.081 7.595 0.486 25791 9457 1 24 . 1 1 61 61 GLN N N 61 120.206 120.206 120.329 -0.123 25791 9458 1 24 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.982 0.180 25791 9459 1 24 . 1 1 61 61 GLN C C 61 178.002 178.002 178.492 -0.490 25791 9460 1 24 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.719 -0.814 25791 9461 1 24 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.165 0.414 25791 9462 1 24 . 1 1 61 61 GLN H H 61 8.111 8.111 8.282 -0.171 25791 9463 1 24 . 1 1 62 62 GLN N N 62 118.980 118.980 118.383 0.597 25791 9464 1 24 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.026 0.103 25791 9465 1 24 . 1 1 62 62 GLN C C 62 177.624 177.624 178.251 -0.627 25791 9466 1 24 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.728 -1.092 25791 9467 1 24 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.564 0.072 25791 9468 1 24 . 1 1 62 62 GLN H H 62 8.203 8.203 8.569 -0.366 25791 9469 1 24 . 1 1 63 63 ALA N N 63 122.712 122.712 121.796 0.916 25791 9470 1 24 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.111 0.095 25791 9471 1 24 . 1 1 63 63 ALA C C 63 178.922 178.922 178.891 0.031 25791 9472 1 24 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.427 -0.531 25791 9473 1 24 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.166 0.293 25791 9474 1 24 . 1 1 63 63 ALA H H 63 8.004 8.004 7.777 0.227 25791 9475 1 24 . 1 1 64 64 ALA N N 64 120.813 120.813 120.898 -0.085 25791 9476 1 24 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.181 0.051 25791 9477 1 24 . 1 1 64 64 ALA C C 64 178.732 178.732 180.098 -1.366 25791 9478 1 24 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.235 -0.719 25791 9479 1 24 . 1 1 64 64 ALA CB C 64 18.630 18.630 18.923 -0.293 25791 9480 1 24 . 1 1 64 64 ALA H H 64 7.837 7.837 7.647 0.190 25791 9481 1 24 . 1 1 65 65 LEU N N 65 119.196 119.196 120.002 -0.806 25791 9482 1 24 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.044 0.213 25791 9483 1 24 . 1 1 65 65 LEU C C 65 178.038 178.038 179.353 -1.315 25791 9484 1 24 . 1 1 65 65 LEU CA C 65 55.822 55.822 57.817 -1.995 25791 9485 1 24 . 1 1 65 65 LEU CB C 65 42.264 42.264 41.380 0.884 25791 9486 1 24 . 1 1 65 65 LEU H H 65 7.765 7.765 8.031 -0.266 25791 9487 1 24 . 1 1 66 66 GLN N N 66 119.365 119.365 114.335 5.030 25791 9488 1 24 . 1 1 66 66 GLN HA H 66 4.275 4.275 4.165 0.110 25791 9489 1 24 . 1 1 66 66 GLN C C 66 176.120 176.120 176.389 -0.269 25791 9490 1 24 . 1 1 66 66 GLN CA C 66 56.067 56.067 56.899 -0.832 25791 9491 1 24 . 1 1 66 66 GLN CB C 66 29.132 29.132 28.337 0.795 25791 9492 1 24 . 1 1 66 66 GLN H H 66 7.967 7.967 7.881 0.086 25791 9493 1 24 . 1 1 67 67 LYS N N 67 121.521 121.521 118.610 2.911 25791 9494 1 24 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.238 0.071 25791 9495 1 24 . 1 1 67 67 LYS C C 67 176.437 176.437 176.379 0.058 25791 9496 1 24 . 1 1 67 67 LYS CA C 67 56.389 56.389 56.245 0.144 25791 9497 1 24 . 1 1 67 67 LYS CB C 67 33.041 33.041 32.773 0.268 25791 9498 1 24 . 1 1 67 67 LYS H H 67 8.053 8.053 7.310 0.743 25791 9499 1 24 . 1 1 68 68 GLN N N 68 121.970 121.970 118.654 3.316 25791 9500 1 24 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.498 -0.159 25791 9501 1 24 . 1 1 68 68 GLN C C 68 175.120 175.120 175.073 0.047 25791 9502 1 24 . 1 1 68 68 GLN CA C 68 56.000 56.000 54.673 1.327 25791 9503 1 24 . 1 1 68 68 GLN CB C 68 29.498 29.498 30.276 -0.778 25791 9504 1 24 . 1 1 68 68 GLN H H 68 8.314 8.314 7.507 0.807 25791 9505 1 25 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.318 0.129 25791 9506 1 25 . 1 1 2 2 GLN C C 2 176.144 176.144 177.675 -1.531 25791 9507 1 25 . 1 1 2 2 GLN CA C 2 56.209 56.209 58.574 -2.365 25791 9508 1 25 . 1 1 2 2 GLN CB C 2 29.459 29.459 28.381 1.078 25791 9509 1 25 . 1 1 3 3 GLN N N 3 122.052 122.052 117.664 4.388 25791 9510 1 25 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.127 0.196 25791 9511 1 25 . 1 1 3 3 GLN C C 3 176.988 176.988 178.069 -1.081 25791 9512 1 25 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.568 -1.165 25791 9513 1 25 . 1 1 3 3 GLN CB C 3 29.239 29.239 27.965 1.274 25791 9514 1 25 . 1 1 3 3 GLN H H 3 8.780 8.780 8.694 0.086 25791 9515 1 25 . 1 1 4 4 LYS N N 4 121.855 121.855 120.240 1.615 25791 9516 1 25 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.193 -0.189 25791 9517 1 25 . 1 1 4 4 LYS C C 4 177.638 177.638 178.499 -0.861 25791 9518 1 25 . 1 1 4 4 LYS CA C 4 60.239 60.239 58.769 1.470 25791 9519 1 25 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.313 0.386 25791 9520 1 25 . 1 1 4 4 LYS H H 4 8.528 8.528 7.645 0.883 25791 9521 1 25 . 1 1 5 5 GLN N N 5 116.397 116.397 119.190 -2.793 25791 9522 1 25 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.839 0.102 25791 9523 1 25 . 1 1 5 5 GLN C C 5 178.761 178.761 178.598 0.163 25791 9524 1 25 . 1 1 5 5 GLN CA C 5 59.349 59.349 59.170 0.179 25791 9525 1 25 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.630 -0.680 25791 9526 1 25 . 1 1 5 5 GLN H H 5 8.223 8.223 7.670 0.553 25791 9527 1 25 . 1 1 6 6 GLN N N 6 119.262 119.262 118.440 0.822 25791 9528 1 25 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.084 0.044 25791 9529 1 25 . 1 1 6 6 GLN C C 6 179.018 179.018 178.292 0.726 25791 9530 1 25 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.885 0.204 25791 9531 1 25 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.203 0.507 25791 9532 1 25 . 1 1 6 6 GLN H H 6 7.848 7.848 7.976 -0.128 25791 9533 1 25 . 1 1 7 7 ILE N N 7 121.296 121.296 120.890 0.406 25791 9534 1 25 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.839 -0.256 25791 9535 1 25 . 1 1 7 7 ILE C C 7 177.833 177.833 178.132 -0.299 25791 9536 1 25 . 1 1 7 7 ILE CA C 7 65.129 65.129 62.828 2.301 25791 9537 1 25 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.095 1.111 25791 9538 1 25 . 1 1 7 7 ILE H H 7 8.095 8.095 7.211 0.884 25791 9539 1 25 . 1 1 8 8 MET N N 8 117.603 117.603 119.005 -1.402 25791 9540 1 25 . 1 1 8 8 MET HA H 8 3.985 3.985 4.022 -0.037 25791 9541 1 25 . 1 1 8 8 MET C C 8 177.355 177.355 178.838 -1.483 25791 9542 1 25 . 1 1 8 8 MET CA C 8 59.932 59.932 59.810 0.122 25791 9543 1 25 . 1 1 8 8 MET CB C 8 32.721 32.721 31.970 0.752 25791 9544 1 25 . 1 1 8 8 MET H H 8 8.672 8.672 8.132 0.540 25791 9545 1 25 . 1 1 9 9 ALA N N 9 118.774 118.774 121.498 -2.724 25791 9546 1 25 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.016 0.030 25791 9547 1 25 . 1 1 9 9 ALA C C 9 180.546 180.546 179.132 1.414 25791 9548 1 25 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.107 0.278 25791 9549 1 25 . 1 1 9 9 ALA CB C 9 17.898 17.898 18.030 -0.132 25791 9550 1 25 . 1 1 9 9 ALA H H 9 7.795 7.795 7.935 -0.140 25791 9551 1 25 . 1 1 10 10 ALA N N 10 120.854 120.854 121.963 -1.109 25791 9552 1 25 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.072 0.133 25791 9553 1 25 . 1 1 10 10 ALA C C 10 181.200 181.200 179.461 1.739 25791 9554 1 25 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.686 0.326 25791 9555 1 25 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.440 0.821 25791 9556 1 25 . 1 1 10 10 ALA H H 10 7.438 7.438 7.615 -0.177 25791 9557 1 25 . 1 1 11 11 LEU N N 11 120.775 120.775 119.003 1.772 25791 9558 1 25 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.859 -0.111 25791 9559 1 25 . 1 1 11 11 LEU C C 11 179.041 179.041 179.276 -0.235 25791 9560 1 25 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.767 0.579 25791 9561 1 25 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.373 -1.396 25791 9562 1 25 . 1 1 11 11 LEU H H 11 8.757 8.757 8.491 0.266 25791 9563 1 25 . 1 1 12 12 ASN N N 12 116.313 116.313 117.171 -0.858 25791 9564 1 25 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.540 0.024 25791 9565 1 25 . 1 1 12 12 ASN C C 12 178.900 178.900 177.494 1.406 25791 9566 1 25 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.574 -1.509 25791 9567 1 25 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.724 -1.731 25791 9568 1 25 . 1 1 12 12 ASN H H 12 8.850 8.850 8.515 0.335 25791 9569 1 25 . 1 1 13 13 SER N N 13 114.747 114.747 115.609 -0.862 25791 9570 1 25 . 1 1 13 13 SER HA H 13 4.370 4.370 4.178 0.192 25791 9571 1 25 . 1 1 13 13 SER C C 13 176.515 176.515 176.561 -0.046 25791 9572 1 25 . 1 1 13 13 SER CA C 13 61.141 61.141 61.745 -0.604 25791 9573 1 25 . 1 1 13 13 SER CB C 13 63.044 63.044 63.114 -0.070 25791 9574 1 25 . 1 1 13 13 SER H H 13 7.672 7.672 7.911 -0.239 25791 9575 1 25 . 1 1 14 14 GLN N N 14 119.954 119.954 119.234 0.720 25791 9576 1 25 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.172 0.046 25791 9577 1 25 . 1 1 14 14 GLN C C 14 178.208 178.208 177.325 0.883 25791 9578 1 25 . 1 1 14 14 GLN CA C 14 57.749 57.749 58.389 -0.640 25791 9579 1 25 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.767 -0.067 25791 9580 1 25 . 1 1 14 14 GLN H H 14 7.573 7.573 7.783 -0.210 25791 9581 1 25 . 1 1 15 15 THR N N 15 107.493 107.493 108.502 -1.009 25791 9582 1 25 . 1 1 15 15 THR HA H 15 3.899 3.899 4.474 -0.576 25791 9583 1 25 . 1 1 15 15 THR C C 15 174.683 174.683 174.351 0.332 25791 9584 1 25 . 1 1 15 15 THR CA C 15 61.551 61.551 60.417 1.134 25791 9585 1 25 . 1 1 15 15 THR CB C 15 69.226 69.226 69.009 0.217 25791 9586 1 25 . 1 1 15 15 THR H H 15 7.741 7.741 7.685 0.056 25791 9587 1 25 . 1 1 16 16 ALA N N 16 124.034 124.034 125.526 -1.492 25791 9588 1 25 . 1 1 16 16 ALA HA H 16 4.135 4.135 3.994 0.141 25791 9589 1 25 . 1 1 16 16 ALA C C 16 179.899 179.899 179.003 0.896 25791 9590 1 25 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.911 0.296 25791 9591 1 25 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.039 0.685 25791 9592 1 25 . 1 1 16 16 ALA H H 16 6.873 6.873 7.122 -0.249 25791 9593 1 25 . 1 1 17 17 VAL N N 17 117.150 117.150 118.032 -0.882 25791 9594 1 25 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.802 -0.088 25791 9595 1 25 . 1 1 17 17 VAL C C 17 178.537 178.537 177.510 1.027 25791 9596 1 25 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.130 1.378 25791 9597 1 25 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.322 0.371 25791 9598 1 25 . 1 1 17 17 VAL H H 17 8.162 8.162 8.202 -0.040 25791 9599 1 25 . 1 1 18 18 GLN N N 18 119.489 119.489 119.503 -0.014 25791 9600 1 25 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.047 0.010 25791 9601 1 25 . 1 1 18 18 GLN C C 18 180.429 180.429 179.076 1.353 25791 9602 1 25 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.245 0.454 25791 9603 1 25 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.446 0.740 25791 9604 1 25 . 1 1 18 18 GLN H H 18 8.451 8.451 8.097 0.354 25791 9605 1 25 . 1 1 19 19 PHE N N 19 117.940 117.940 118.984 -1.044 25791 9606 1 25 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.552 0.278 25791 9607 1 25 . 1 1 19 19 PHE C C 19 177.858 177.858 178.123 -0.265 25791 9608 1 25 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.294 -1.266 25791 9609 1 25 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.246 -2.341 25791 9610 1 25 . 1 1 19 19 PHE H H 19 8.924 8.924 8.631 0.293 25791 9611 1 25 . 1 1 20 20 GLN N N 20 120.297 120.297 119.648 0.649 25791 9612 1 25 . 1 1 20 20 GLN HA H 20 4.106 4.106 4.064 0.042 25791 9613 1 25 . 1 1 20 20 GLN C C 20 178.986 178.986 178.780 0.206 25791 9614 1 25 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.659 -0.096 25791 9615 1 25 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.627 -0.732 25791 9616 1 25 . 1 1 20 20 GLN H H 20 8.264 8.264 8.245 0.019 25791 9617 1 25 . 1 1 21 21 GLN N N 21 118.595 118.595 118.261 0.334 25791 9618 1 25 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.116 -0.034 25791 9619 1 25 . 1 1 21 21 GLN C C 21 178.806 178.806 178.554 0.252 25791 9620 1 25 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.713 0.457 25791 9621 1 25 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.619 -0.423 25791 9622 1 25 . 1 1 21 21 GLN H H 21 8.527 8.527 8.381 0.146 25791 9623 1 25 . 1 1 22 22 TYR N N 22 119.594 119.594 122.146 -2.552 25791 9624 1 25 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.316 -0.069 25791 9625 1 25 . 1 1 22 22 TYR C C 22 177.789 177.789 177.294 0.495 25791 9626 1 25 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.246 1.466 25791 9627 1 25 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.326 0.398 25791 9628 1 25 . 1 1 22 22 TYR H H 22 7.843 7.843 7.834 0.009 25791 9629 1 25 . 1 1 23 23 ALA N N 23 120.663 120.663 121.381 -0.718 25791 9630 1 25 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.737 0.120 25791 9631 1 25 . 1 1 23 23 ALA C C 23 179.319 179.319 178.783 0.536 25791 9632 1 25 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.923 0.666 25791 9633 1 25 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.182 0.300 25791 9634 1 25 . 1 1 23 23 ALA H H 23 8.612 8.612 8.657 -0.045 25791 9635 1 25 . 1 1 24 24 ALA N N 24 119.002 119.002 120.836 -1.834 25791 9636 1 25 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.107 -0.169 25791 9637 1 25 . 1 1 24 24 ALA C C 24 178.987 178.987 178.795 0.192 25791 9638 1 25 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.180 0.137 25791 9639 1 25 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.444 -0.553 25791 9640 1 25 . 1 1 24 24 ALA H H 24 8.168 8.168 8.015 0.153 25791 9641 1 25 . 1 1 25 25 GLN N N 25 115.599 115.599 116.703 -1.104 25791 9642 1 25 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.046 -0.042 25791 9643 1 25 . 1 1 25 25 GLN C C 25 177.818 177.818 178.118 -0.300 25791 9644 1 25 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.156 -0.702 25791 9645 1 25 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.975 -0.520 25791 9646 1 25 . 1 1 25 25 GLN H H 25 7.300 7.300 7.669 -0.369 25791 9647 1 25 . 1 1 26 26 GLN N N 26 116.989 116.989 116.448 0.541 25791 9648 1 25 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.901 -0.197 25791 9649 1 25 . 1 1 26 26 GLN C C 26 175.979 175.979 175.931 0.048 25791 9650 1 25 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.919 -0.131 25791 9651 1 25 . 1 1 26 26 GLN CB C 26 29.080 29.080 30.003 -0.923 25791 9652 1 25 . 1 1 26 26 GLN H H 26 7.401 7.401 7.363 0.038 25791 9653 1 25 . 1 1 27 27 TYR N N 27 114.712 114.712 117.164 -2.452 25791 9654 1 25 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.910 0.168 25791 9655 1 25 . 1 1 27 27 TYR C C 27 172.931 172.931 173.436 -0.505 25791 9656 1 25 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.591 0.576 25791 9657 1 25 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.460 1.200 25791 9658 1 25 . 1 1 27 27 TYR H H 27 7.675 7.675 8.043 -0.368 25791 9659 1 25 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.422 -0.060 25791 9660 1 25 . 1 1 28 28 PRO C C 28 179.333 179.333 178.022 1.311 25791 9661 1 25 . 1 1 28 28 PRO CA C 28 64.394 64.394 64.167 0.227 25791 9662 1 25 . 1 1 28 28 PRO CB C 28 31.254 31.254 31.764 -0.510 25791 9663 1 25 . 1 1 29 29 GLY N N 29 110.091 110.091 112.918 -2.827 25791 9664 1 25 . 1 1 29 29 GLY C C 29 173.218 173.218 174.704 -1.486 25791 9665 1 25 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.271 0.641 25791 9666 1 25 . 1 1 29 29 GLY H H 29 8.826 8.826 8.825 0.001 25791 9667 1 25 . 1 1 30 30 ASN N N 30 118.603 118.603 122.392 -3.789 25791 9668 1 25 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.911 0.088 25791 9669 1 25 . 1 1 30 30 ASN C C 30 173.977 173.977 175.742 -1.765 25791 9670 1 25 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.006 0.179 25791 9671 1 25 . 1 1 30 30 ASN CB C 30 38.426 38.426 38.098 0.328 25791 9672 1 25 . 1 1 30 30 ASN H H 30 7.293 7.293 7.726 -0.433 25791 9673 1 25 . 1 1 31 31 TYR N N 31 125.240 125.240 121.235 4.005 25791 9674 1 25 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.372 -0.474 25791 9675 1 25 . 1 1 31 31 TYR C C 31 177.343 177.343 176.965 0.378 25791 9676 1 25 . 1 1 31 31 TYR CA C 31 61.811 61.811 60.437 1.374 25791 9677 1 25 . 1 1 31 31 TYR CB C 31 38.357 38.357 37.692 0.665 25791 9678 1 25 . 1 1 31 31 TYR H H 31 8.509 8.509 7.943 0.566 25791 9679 1 25 . 1 1 32 32 GLU N N 32 118.993 118.993 118.595 0.398 25791 9680 1 25 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.857 0.043 25791 9681 1 25 . 1 1 32 32 GLU C C 32 179.549 179.549 178.791 0.758 25791 9682 1 25 . 1 1 32 32 GLU CA C 32 60.112 60.112 58.868 1.244 25791 9683 1 25 . 1 1 32 32 GLU CB C 32 29.168 29.168 27.973 1.195 25791 9684 1 25 . 1 1 32 32 GLU H H 32 8.714 8.714 7.632 1.082 25791 9685 1 25 . 1 1 33 33 GLN N N 33 117.037 117.037 119.217 -2.180 25791 9686 1 25 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.842 -0.109 25791 9687 1 25 . 1 1 33 33 GLN C C 33 179.119 179.119 178.548 0.571 25791 9688 1 25 . 1 1 33 33 GLN CA C 33 57.702 57.702 57.972 -0.270 25791 9689 1 25 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.570 0.056 25791 9690 1 25 . 1 1 33 33 GLN H H 33 7.536 7.536 7.532 0.004 25791 9691 1 25 . 1 1 34 34 GLN N N 34 117.723 117.723 119.708 -1.985 25791 9692 1 25 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.034 -0.223 25791 9693 1 25 . 1 1 34 34 GLN C C 34 177.634 177.634 178.612 -0.978 25791 9694 1 25 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.469 0.696 25791 9695 1 25 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.576 -1.075 25791 9696 1 25 . 1 1 34 34 GLN H H 34 7.968 7.968 8.231 -0.263 25791 9697 1 25 . 1 1 35 35 GLN N N 35 115.293 115.293 118.982 -3.689 25791 9698 1 25 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.118 -0.327 25791 9699 1 25 . 1 1 35 35 GLN C C 35 178.757 178.757 178.642 0.115 25791 9700 1 25 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.546 0.064 25791 9701 1 25 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.462 -0.257 25791 9702 1 25 . 1 1 35 35 GLN H H 35 7.870 7.870 7.953 -0.083 25791 9703 1 25 . 1 1 36 36 ILE N N 36 120.769 120.769 120.652 0.117 25791 9704 1 25 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.652 -0.088 25791 9705 1 25 . 1 1 36 36 ILE C C 36 178.273 178.273 178.168 0.105 25791 9706 1 25 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.248 -0.012 25791 9707 1 25 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.655 0.718 25791 9708 1 25 . 1 1 36 36 ILE H H 36 7.503 7.503 8.114 -0.611 25791 9709 1 25 . 1 1 37 37 LEU N N 37 121.056 121.056 121.177 -0.121 25791 9710 1 25 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.049 0.260 25791 9711 1 25 . 1 1 37 37 LEU C C 37 178.348 178.348 178.254 0.094 25791 9712 1 25 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.859 -0.125 25791 9713 1 25 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.754 -0.238 25791 9714 1 25 . 1 1 37 37 LEU H H 37 7.678 7.678 7.876 -0.198 25791 9715 1 25 . 1 1 38 38 ILE N N 38 119.334 119.334 119.907 -0.573 25791 9716 1 25 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.469 -0.128 25791 9717 1 25 . 1 1 38 38 ILE C C 38 177.371 177.371 177.928 -0.557 25791 9718 1 25 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.708 1.377 25791 9719 1 25 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.612 0.737 25791 9720 1 25 . 1 1 38 38 ILE H H 38 8.702 8.702 8.245 0.457 25791 9721 1 25 . 1 1 39 39 ARG N N 39 117.798 117.798 119.766 -1.968 25791 9722 1 25 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.235 -0.020 25791 9723 1 25 . 1 1 39 39 ARG C C 39 179.555 179.555 179.408 0.147 25791 9724 1 25 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.844 -0.385 25791 9725 1 25 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.975 -0.223 25791 9726 1 25 . 1 1 39 39 ARG H H 39 7.739 7.739 8.477 -0.738 25791 9727 1 25 . 1 1 40 40 GLN N N 40 119.432 119.432 118.800 0.632 25791 9728 1 25 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.064 0.073 25791 9729 1 25 . 1 1 40 40 GLN C C 40 179.522 179.522 178.583 0.939 25791 9730 1 25 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.877 0.383 25791 9731 1 25 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.658 -0.300 25791 9732 1 25 . 1 1 40 40 GLN H H 40 7.811 7.811 7.651 0.160 25791 9733 1 25 . 1 1 41 41 LEU N N 41 121.592 121.592 120.680 0.912 25791 9734 1 25 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.798 -0.111 25791 9735 1 25 . 1 1 41 41 LEU C C 41 178.974 178.974 178.947 0.027 25791 9736 1 25 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.672 0.291 25791 9737 1 25 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.890 -1.038 25791 9738 1 25 . 1 1 41 41 LEU H H 41 8.648 8.648 8.027 0.621 25791 9739 1 25 . 1 1 42 42 GLN N N 42 119.054 119.054 118.492 0.562 25791 9740 1 25 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.286 0.258 25791 9741 1 25 . 1 1 42 42 GLN C C 42 180.176 180.176 178.752 1.424 25791 9742 1 25 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.469 -0.235 25791 9743 1 25 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.717 -0.797 25791 9744 1 25 . 1 1 42 42 GLN H H 42 8.641 8.641 8.651 -0.010 25791 9745 1 25 . 1 1 43 43 GLU N N 43 121.517 121.517 121.179 0.338 25791 9746 1 25 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.060 0.176 25791 9747 1 25 . 1 1 43 43 GLU C C 43 179.721 179.721 179.025 0.696 25791 9748 1 25 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.503 0.164 25791 9749 1 25 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.532 -0.274 25791 9750 1 25 . 1 1 43 43 GLU H H 43 8.111 8.111 7.824 0.287 25791 9751 1 25 . 1 1 44 44 GLN N N 44 119.240 119.240 118.557 0.683 25791 9752 1 25 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.295 -0.179 25791 9753 1 25 . 1 1 44 44 GLN C C 44 179.012 179.012 178.429 0.583 25791 9754 1 25 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.832 0.317 25791 9755 1 25 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.930 -0.076 25791 9756 1 25 . 1 1 44 44 GLN H H 44 8.372 8.372 8.447 -0.075 25791 9757 1 25 . 1 1 45 45 HIS N N 45 121.705 121.705 120.827 0.878 25791 9758 1 25 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.280 0.000 25791 9759 1 25 . 1 1 45 45 HIS C C 45 176.395 176.395 177.101 -0.706 25791 9760 1 25 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.197 1.162 25791 9761 1 25 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.543 1.782 25791 9762 1 25 . 1 1 45 45 HIS H H 45 9.472 9.472 8.322 1.150 25791 9763 1 25 . 1 1 46 46 TYR N N 46 119.039 119.039 120.219 -1.180 25791 9764 1 25 . 1 1 46 46 TYR HA H 46 3.849 3.849 3.985 -0.136 25791 9765 1 25 . 1 1 46 46 TYR C C 46 176.664 176.664 177.974 -1.310 25791 9766 1 25 . 1 1 46 46 TYR CA C 46 62.251 62.251 62.092 0.159 25791 9767 1 25 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.404 -0.732 25791 9768 1 25 . 1 1 46 46 TYR H H 46 8.253 8.253 8.128 0.125 25791 9769 1 25 . 1 1 47 47 GLN N N 47 116.407 116.407 117.841 -1.434 25791 9770 1 25 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.882 -0.098 25791 9771 1 25 . 1 1 47 47 GLN C C 47 179.048 179.048 178.489 0.559 25791 9772 1 25 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.242 -0.293 25791 9773 1 25 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.532 -0.351 25791 9774 1 25 . 1 1 47 47 GLN H H 47 7.814 7.814 8.196 -0.382 25791 9775 1 25 . 1 1 48 48 GLN N N 48 119.803 119.803 119.752 0.051 25791 9776 1 25 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.095 -0.118 25791 9777 1 25 . 1 1 48 48 GLN C C 48 177.741 177.741 178.149 -0.408 25791 9778 1 25 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.288 0.026 25791 9779 1 25 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.398 -0.070 25791 9780 1 25 . 1 1 48 48 GLN H H 48 8.645 8.645 8.383 0.262 25791 9781 1 25 . 1 1 49 49 TYR N N 49 121.342 121.342 121.993 -0.651 25791 9782 1 25 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.082 -0.442 25791 9783 1 25 . 1 1 49 49 TYR C C 49 176.021 176.021 177.552 -1.531 25791 9784 1 25 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.669 0.440 25791 9785 1 25 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.183 0.724 25791 9786 1 25 . 1 1 49 49 TYR H H 49 9.105 9.105 8.692 0.413 25791 9787 1 25 . 1 1 50 50 MET N N 50 115.522 115.522 117.979 -2.457 25791 9788 1 25 . 1 1 50 50 MET HA H 50 4.040 4.040 3.648 0.392 25791 9789 1 25 . 1 1 50 50 MET C C 50 179.841 179.841 178.328 1.513 25791 9790 1 25 . 1 1 50 50 MET CA C 50 56.623 56.623 56.767 -0.144 25791 9791 1 25 . 1 1 50 50 MET CB C 50 30.099 30.099 31.639 -1.540 25791 9792 1 25 . 1 1 50 50 MET H H 50 8.060 8.060 8.393 -0.333 25791 9793 1 25 . 1 1 51 51 GLN N N 51 118.942 118.942 118.380 0.562 25791 9794 1 25 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.888 0.177 25791 9795 1 25 . 1 1 51 51 GLN C C 51 178.707 178.707 178.341 0.366 25791 9796 1 25 . 1 1 51 51 GLN CA C 51 58.941 58.941 58.986 -0.045 25791 9797 1 25 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.489 -0.000 25791 9798 1 25 . 1 1 51 51 GLN H H 51 7.830 7.830 7.792 0.038 25791 9799 1 25 . 1 1 52 52 GLN N N 52 119.210 119.210 120.620 -1.410 25791 9800 1 25 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.276 -0.219 25791 9801 1 25 . 1 1 52 52 GLN C C 52 178.738 178.738 178.622 0.116 25791 9802 1 25 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.279 0.470 25791 9803 1 25 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.476 -0.073 25791 9804 1 25 . 1 1 52 52 GLN H H 52 8.187 8.187 8.287 -0.100 25791 9805 1 25 . 1 1 53 53 LEU N N 53 121.233 121.233 121.219 0.014 25791 9806 1 25 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.865 -0.024 25791 9807 1 25 . 1 1 53 53 LEU C C 53 179.191 179.191 178.057 1.134 25791 9808 1 25 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.756 -0.011 25791 9809 1 25 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.219 0.647 25791 9810 1 25 . 1 1 53 53 LEU H H 53 8.441 8.441 8.159 0.282 25791 9811 1 25 . 1 1 54 54 TYR N N 54 118.505 118.505 119.438 -0.933 25791 9812 1 25 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.913 0.405 25791 9813 1 25 . 1 1 54 54 TYR C C 54 177.535 177.535 177.636 -0.101 25791 9814 1 25 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.288 -1.811 25791 9815 1 25 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.533 -0.747 25791 9816 1 25 . 1 1 54 54 TYR H H 54 7.819 7.819 8.247 -0.428 25791 9817 1 25 . 1 1 55 55 GLN N N 55 117.299 117.299 118.167 -0.868 25791 9818 1 25 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.014 -0.115 25791 9819 1 25 . 1 1 55 55 GLN C C 55 179.041 179.041 178.507 0.534 25791 9820 1 25 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.921 -0.212 25791 9821 1 25 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.669 -0.454 25791 9822 1 25 . 1 1 55 55 GLN H H 55 7.735 7.735 8.016 -0.281 25791 9823 1 25 . 1 1 56 56 VAL N N 56 120.879 120.879 120.375 0.504 25791 9824 1 25 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.541 0.251 25791 9825 1 25 . 1 1 56 56 VAL C C 56 178.262 178.262 177.750 0.512 25791 9826 1 25 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.482 -0.540 25791 9827 1 25 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.716 0.163 25791 9828 1 25 . 1 1 56 56 VAL H H 56 8.014 8.014 7.740 0.274 25791 9829 1 25 . 1 1 57 57 GLN N N 57 120.513 120.513 119.095 1.418 25791 9830 1 25 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.990 0.070 25791 9831 1 25 . 1 1 57 57 GLN C C 57 178.772 178.772 178.146 0.626 25791 9832 1 25 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.232 0.384 25791 9833 1 25 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.834 0.151 25791 9834 1 25 . 1 1 57 57 GLN H H 57 8.103 8.103 7.838 0.265 25791 9835 1 25 . 1 1 58 58 LEU N N 58 121.244 121.244 121.171 0.073 25791 9836 1 25 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.868 0.137 25791 9837 1 25 . 1 1 58 58 LEU C C 58 179.134 179.134 177.956 1.178 25791 9838 1 25 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.590 -0.083 25791 9839 1 25 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.728 0.075 25791 9840 1 25 . 1 1 58 58 LEU H H 58 8.176 8.176 8.092 0.084 25791 9841 1 25 . 1 1 59 59 ALA N N 59 121.608 121.608 120.980 0.628 25791 9842 1 25 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.874 0.291 25791 9843 1 25 . 1 1 59 59 ALA C C 59 180.497 180.497 179.795 0.702 25791 9844 1 25 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.167 -0.585 25791 9845 1 25 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.032 0.021 25791 9846 1 25 . 1 1 59 59 ALA H H 59 7.833 7.833 7.970 -0.137 25791 9847 1 25 . 1 1 60 60 GLN N N 60 118.335 118.335 117.840 0.495 25791 9848 1 25 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.936 0.212 25791 9849 1 25 . 1 1 60 60 GLN C C 60 178.334 178.334 178.553 -0.219 25791 9850 1 25 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.626 -0.649 25791 9851 1 25 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.639 -0.204 25791 9852 1 25 . 1 1 60 60 GLN H H 60 8.081 8.081 7.729 0.352 25791 9853 1 25 . 1 1 61 61 GLN N N 61 120.206 120.206 120.000 0.206 25791 9854 1 25 . 1 1 61 61 GLN HA H 61 4.162 4.162 4.026 0.136 25791 9855 1 25 . 1 1 61 61 GLN C C 61 178.002 178.002 178.548 -0.546 25791 9856 1 25 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.694 -0.789 25791 9857 1 25 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.213 0.366 25791 9858 1 25 . 1 1 61 61 GLN H H 61 8.111 8.111 7.875 0.236 25791 9859 1 25 . 1 1 62 62 GLN N N 62 118.980 118.980 118.649 0.331 25791 9860 1 25 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.039 0.090 25791 9861 1 25 . 1 1 62 62 GLN C C 62 177.624 177.624 178.251 -0.627 25791 9862 1 25 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.466 -0.830 25791 9863 1 25 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.414 0.222 25791 9864 1 25 . 1 1 62 62 GLN H H 62 8.203 8.203 8.566 -0.363 25791 9865 1 25 . 1 1 63 63 ALA N N 63 122.712 122.712 121.903 0.809 25791 9866 1 25 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.133 0.073 25791 9867 1 25 . 1 1 63 63 ALA C C 63 178.922 178.922 179.086 -0.164 25791 9868 1 25 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.403 -0.506 25791 9869 1 25 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.191 0.268 25791 9870 1 25 . 1 1 63 63 ALA H H 63 8.004 8.004 7.824 0.180 25791 9871 1 25 . 1 1 64 64 ALA N N 64 120.813 120.813 120.811 0.002 25791 9872 1 25 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.109 0.123 25791 9873 1 25 . 1 1 64 64 ALA C C 64 178.732 178.732 178.968 -0.236 25791 9874 1 25 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.109 -0.594 25791 9875 1 25 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.067 -0.437 25791 9876 1 25 . 1 1 64 64 ALA H H 64 7.837 7.837 7.747 0.090 25791 9877 1 25 . 1 1 65 65 LEU N N 65 119.196 119.196 119.720 -0.524 25791 9878 1 25 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.177 0.080 25791 9879 1 25 . 1 1 65 65 LEU C C 65 178.038 178.038 178.150 -0.112 25791 9880 1 25 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.695 -0.873 25791 9881 1 25 . 1 1 65 65 LEU CB C 65 42.264 42.264 41.824 0.440 25791 9882 1 25 . 1 1 65 65 LEU H H 65 7.765 7.765 7.917 -0.152 25791 9883 1 25 . 1 1 66 66 GLN N N 66 119.365 119.365 115.404 3.961 25791 9884 1 25 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.921 0.354 25791 9885 1 25 . 1 1 66 66 GLN C C 66 176.120 176.120 175.585 0.535 25791 9886 1 25 . 1 1 66 66 GLN CA C 66 56.067 56.067 57.227 -1.160 25791 9887 1 25 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.721 2.411 25791 9888 1 25 . 1 1 66 66 GLN H H 66 7.967 7.967 8.195 -0.228 25791 9889 1 25 . 1 1 67 67 LYS N N 67 121.521 121.521 117.604 3.917 25791 9890 1 25 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.371 -0.062 25791 9891 1 25 . 1 1 67 67 LYS C C 67 176.437 176.437 175.443 0.994 25791 9892 1 25 . 1 1 67 67 LYS CA C 67 56.389 56.389 56.206 0.183 25791 9893 1 25 . 1 1 67 67 LYS CB C 67 33.041 33.041 32.891 0.150 25791 9894 1 25 . 1 1 67 67 LYS H H 67 8.053 8.053 8.072 -0.019 25791 9895 1 25 . 1 1 68 68 GLN N N 68 121.970 121.970 120.398 1.572 25791 9896 1 25 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.244 0.095 25791 9897 1 25 . 1 1 68 68 GLN C C 68 175.120 175.120 176.179 -1.059 25791 9898 1 25 . 1 1 68 68 GLN CA C 68 56.000 56.000 56.277 -0.277 25791 9899 1 25 . 1 1 68 68 GLN CB C 68 29.498 29.498 27.324 2.174 25791 9900 1 25 . 1 1 68 68 GLN H H 68 8.314 8.314 8.234 0.080 25791 9901 1 26 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.263 0.184 25791 9902 1 26 . 1 1 2 2 GLN C C 2 176.144 176.144 177.068 -0.924 25791 9903 1 26 . 1 1 2 2 GLN CA C 2 56.209 56.209 58.345 -2.136 25791 9904 1 26 . 1 1 2 2 GLN CB C 2 29.459 29.459 28.056 1.403 25791 9905 1 26 . 1 1 3 3 GLN N N 3 122.052 122.052 117.766 4.286 25791 9906 1 26 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.034 0.289 25791 9907 1 26 . 1 1 3 3 GLN C C 3 176.988 176.988 178.297 -1.309 25791 9908 1 26 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.767 -1.364 25791 9909 1 26 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.177 1.062 25791 9910 1 26 . 1 1 3 3 GLN H H 3 8.780 8.780 8.778 0.002 25791 9911 1 26 . 1 1 4 4 LYS N N 4 121.855 121.855 119.607 2.248 25791 9912 1 26 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.110 -0.106 25791 9913 1 26 . 1 1 4 4 LYS C C 4 177.638 177.638 178.533 -0.895 25791 9914 1 26 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.013 1.226 25791 9915 1 26 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.256 0.443 25791 9916 1 26 . 1 1 4 4 LYS H H 4 8.528 8.528 7.595 0.933 25791 9917 1 26 . 1 1 5 5 GLN N N 5 116.397 116.397 118.580 -2.183 25791 9918 1 26 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.923 0.018 25791 9919 1 26 . 1 1 5 5 GLN C C 5 178.761 178.761 178.561 0.200 25791 9920 1 26 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.950 0.399 25791 9921 1 26 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.340 -0.390 25791 9922 1 26 . 1 1 5 5 GLN H H 5 8.223 8.223 7.685 0.538 25791 9923 1 26 . 1 1 6 6 GLN N N 6 119.262 119.262 118.330 0.932 25791 9924 1 26 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.096 0.032 25791 9925 1 26 . 1 1 6 6 GLN C C 6 179.018 179.018 178.416 0.602 25791 9926 1 26 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.856 0.233 25791 9927 1 26 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.098 0.612 25791 9928 1 26 . 1 1 6 6 GLN H H 6 7.848 7.848 7.947 -0.099 25791 9929 1 26 . 1 1 7 7 ILE N N 7 121.296 121.296 121.619 -0.323 25791 9930 1 26 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.852 -0.269 25791 9931 1 26 . 1 1 7 7 ILE C C 7 177.833 177.833 178.165 -0.332 25791 9932 1 26 . 1 1 7 7 ILE CA C 7 65.129 65.129 62.997 2.132 25791 9933 1 26 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.090 1.116 25791 9934 1 26 . 1 1 7 7 ILE H H 7 8.095 8.095 7.250 0.845 25791 9935 1 26 . 1 1 8 8 MET N N 8 117.603 117.603 118.986 -1.383 25791 9936 1 26 . 1 1 8 8 MET HA H 8 3.985 3.985 4.066 -0.081 25791 9937 1 26 . 1 1 8 8 MET C C 8 177.355 177.355 178.555 -1.200 25791 9938 1 26 . 1 1 8 8 MET CA C 8 59.932 59.932 59.575 0.357 25791 9939 1 26 . 1 1 8 8 MET CB C 8 32.721 32.721 32.030 0.691 25791 9940 1 26 . 1 1 8 8 MET H H 8 8.672 8.672 8.316 0.356 25791 9941 1 26 . 1 1 9 9 ALA N N 9 118.774 118.774 121.622 -2.848 25791 9942 1 26 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.016 0.030 25791 9943 1 26 . 1 1 9 9 ALA C C 9 180.546 180.546 179.244 1.302 25791 9944 1 26 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.271 0.114 25791 9945 1 26 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.892 0.006 25791 9946 1 26 . 1 1 9 9 ALA H H 9 7.795 7.795 8.476 -0.681 25791 9947 1 26 . 1 1 10 10 ALA N N 10 120.854 120.854 121.661 -0.807 25791 9948 1 26 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.045 0.160 25791 9949 1 26 . 1 1 10 10 ALA C C 10 181.200 181.200 179.440 1.760 25791 9950 1 26 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.731 0.281 25791 9951 1 26 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.440 0.821 25791 9952 1 26 . 1 1 10 10 ALA H H 10 7.438 7.438 7.608 -0.170 25791 9953 1 26 . 1 1 11 11 LEU N N 11 120.775 120.775 118.769 2.006 25791 9954 1 26 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.745 0.003 25791 9955 1 26 . 1 1 11 11 LEU C C 11 179.041 179.041 179.242 -0.201 25791 9956 1 26 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.862 0.484 25791 9957 1 26 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.154 -1.177 25791 9958 1 26 . 1 1 11 11 LEU H H 11 8.757 8.757 8.680 0.077 25791 9959 1 26 . 1 1 12 12 ASN N N 12 116.313 116.313 118.163 -1.850 25791 9960 1 26 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.663 -0.099 25791 9961 1 26 . 1 1 12 12 ASN C C 12 178.900 178.900 177.858 1.042 25791 9962 1 26 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.763 -1.698 25791 9963 1 26 . 1 1 12 12 ASN CB C 12 36.993 36.993 37.911 -0.918 25791 9964 1 26 . 1 1 12 12 ASN H H 12 8.850 8.850 8.625 0.225 25791 9965 1 26 . 1 1 13 13 SER N N 13 114.747 114.747 116.160 -1.413 25791 9966 1 26 . 1 1 13 13 SER HA H 13 4.370 4.370 4.187 0.183 25791 9967 1 26 . 1 1 13 13 SER C C 13 176.515 176.515 176.747 -0.232 25791 9968 1 26 . 1 1 13 13 SER CA C 13 61.141 61.141 61.966 -0.825 25791 9969 1 26 . 1 1 13 13 SER CB C 13 63.044 63.044 63.183 -0.139 25791 9970 1 26 . 1 1 13 13 SER H H 13 7.672 7.672 8.013 -0.341 25791 9971 1 26 . 1 1 14 14 GLN N N 14 119.954 119.954 117.455 2.499 25791 9972 1 26 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.187 0.031 25791 9973 1 26 . 1 1 14 14 GLN C C 14 178.208 178.208 176.767 1.441 25791 9974 1 26 . 1 1 14 14 GLN CA C 14 57.749 57.749 57.910 -0.161 25791 9975 1 26 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.517 0.183 25791 9976 1 26 . 1 1 14 14 GLN H H 14 7.573 7.573 7.831 -0.258 25791 9977 1 26 . 1 1 15 15 THR N N 15 107.493 107.493 106.720 0.773 25791 9978 1 26 . 1 1 15 15 THR HA H 15 3.899 3.899 4.469 -0.570 25791 9979 1 26 . 1 1 15 15 THR C C 15 174.683 174.683 174.675 0.008 25791 9980 1 26 . 1 1 15 15 THR CA C 15 61.551 61.551 59.937 1.615 25791 9981 1 26 . 1 1 15 15 THR CB C 15 69.226 69.226 69.933 -0.707 25791 9982 1 26 . 1 1 15 15 THR H H 15 7.741 7.741 7.306 0.435 25791 9983 1 26 . 1 1 16 16 ALA N N 16 124.034 124.034 125.652 -1.618 25791 9984 1 26 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.046 0.088 25791 9985 1 26 . 1 1 16 16 ALA C C 16 179.899 179.899 178.654 1.245 25791 9986 1 26 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.535 0.672 25791 9987 1 26 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.050 0.674 25791 9988 1 26 . 1 1 16 16 ALA H H 16 6.873 6.873 7.474 -0.601 25791 9989 1 26 . 1 1 17 17 VAL N N 17 117.150 117.150 117.954 -0.804 25791 9990 1 26 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.702 0.012 25791 9991 1 26 . 1 1 17 17 VAL C C 17 178.537 178.537 177.111 1.426 25791 9992 1 26 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.299 1.209 25791 9993 1 26 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.578 0.115 25791 9994 1 26 . 1 1 17 17 VAL H H 17 8.162 8.162 8.370 -0.208 25791 9995 1 26 . 1 1 18 18 GLN N N 18 119.489 119.489 119.657 -0.168 25791 9996 1 26 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.232 -0.175 25791 9997 1 26 . 1 1 18 18 GLN C C 18 180.429 180.429 178.915 1.514 25791 9998 1 26 . 1 1 18 18 GLN CA C 18 59.699 59.699 58.895 0.805 25791 9999 1 26 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.555 0.631 25791 10000 1 26 . 1 1 18 18 GLN H H 18 8.451 8.451 7.987 0.464 25791 10001 1 26 . 1 1 19 19 PHE N N 19 117.940 117.940 118.903 -0.963 25791 10002 1 26 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.409 0.421 25791 10003 1 26 . 1 1 19 19 PHE C C 19 177.858 177.858 178.337 -0.479 25791 10004 1 26 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.930 -1.901 25791 10005 1 26 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.117 -2.212 25791 10006 1 26 . 1 1 19 19 PHE H H 19 8.924 8.924 8.741 0.183 25791 10007 1 26 . 1 1 20 20 GLN N N 20 120.297 120.297 119.428 0.869 25791 10008 1 26 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.980 0.126 25791 10009 1 26 . 1 1 20 20 GLN C C 20 178.986 178.986 178.652 0.334 25791 10010 1 26 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.674 -0.111 25791 10011 1 26 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.576 -0.681 25791 10012 1 26 . 1 1 20 20 GLN H H 20 8.264 8.264 8.108 0.156 25791 10013 1 26 . 1 1 21 21 GLN N N 21 118.595 118.595 119.496 -0.901 25791 10014 1 26 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.050 0.032 25791 10015 1 26 . 1 1 21 21 GLN C C 21 178.806 178.806 178.646 0.160 25791 10016 1 26 . 1 1 21 21 GLN CA C 21 59.170 59.170 59.112 0.058 25791 10017 1 26 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.836 -0.640 25791 10018 1 26 . 1 1 21 21 GLN H H 21 8.527 8.527 8.471 0.056 25791 10019 1 26 . 1 1 22 22 TYR N N 22 119.594 119.594 121.567 -1.973 25791 10020 1 26 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.328 -0.081 25791 10021 1 26 . 1 1 22 22 TYR C C 22 177.789 177.789 177.382 0.407 25791 10022 1 26 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.163 1.549 25791 10023 1 26 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.445 0.279 25791 10024 1 26 . 1 1 22 22 TYR H H 22 7.843 7.843 8.123 -0.280 25791 10025 1 26 . 1 1 23 23 ALA N N 23 120.663 120.663 121.458 -0.795 25791 10026 1 26 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.719 0.138 25791 10027 1 26 . 1 1 23 23 ALA C C 23 179.319 179.319 178.750 0.569 25791 10028 1 26 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.902 0.687 25791 10029 1 26 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.169 0.312 25791 10030 1 26 . 1 1 23 23 ALA H H 23 8.612 8.612 8.570 0.042 25791 10031 1 26 . 1 1 24 24 ALA N N 24 119.002 119.002 120.895 -1.893 25791 10032 1 26 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.092 -0.154 25791 10033 1 26 . 1 1 24 24 ALA C C 24 178.987 178.987 178.804 0.183 25791 10034 1 26 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.233 0.085 25791 10035 1 26 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.442 -0.551 25791 10036 1 26 . 1 1 24 24 ALA H H 24 8.168 8.168 8.193 -0.025 25791 10037 1 26 . 1 1 25 25 GLN N N 25 115.599 115.599 116.759 -1.160 25791 10038 1 26 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.044 -0.040 25791 10039 1 26 . 1 1 25 25 GLN C C 25 177.818 177.818 178.191 -0.373 25791 10040 1 26 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.155 -0.701 25791 10041 1 26 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.969 -0.514 25791 10042 1 26 . 1 1 25 25 GLN H H 25 7.300 7.300 7.620 -0.320 25791 10043 1 26 . 1 1 26 26 GLN N N 26 116.989 116.989 116.489 0.500 25791 10044 1 26 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.878 -0.174 25791 10045 1 26 . 1 1 26 26 GLN C C 26 175.979 175.979 175.892 0.087 25791 10046 1 26 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.806 -0.018 25791 10047 1 26 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.696 -0.616 25791 10048 1 26 . 1 1 26 26 GLN H H 26 7.401 7.401 7.392 0.009 25791 10049 1 26 . 1 1 27 27 TYR N N 27 114.712 114.712 118.049 -3.337 25791 10050 1 26 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.886 0.192 25791 10051 1 26 . 1 1 27 27 TYR C C 27 172.931 172.931 173.661 -0.730 25791 10052 1 26 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.627 0.540 25791 10053 1 26 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.371 1.289 25791 10054 1 26 . 1 1 27 27 TYR H H 27 7.675 7.675 8.059 -0.384 25791 10055 1 26 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.344 0.018 25791 10056 1 26 . 1 1 28 28 PRO C C 28 179.333 179.333 177.896 1.437 25791 10057 1 26 . 1 1 28 28 PRO CA C 28 64.394 64.394 64.182 0.212 25791 10058 1 26 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.316 -1.062 25791 10059 1 26 . 1 1 29 29 GLY N N 29 110.091 110.091 113.288 -3.197 25791 10060 1 26 . 1 1 29 29 GLY C C 29 173.218 173.218 174.771 -1.553 25791 10061 1 26 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.281 0.631 25791 10062 1 26 . 1 1 29 29 GLY H H 29 8.826 8.826 8.760 0.066 25791 10063 1 26 . 1 1 30 30 ASN N N 30 118.603 118.603 122.048 -3.445 25791 10064 1 26 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.975 0.024 25791 10065 1 26 . 1 1 30 30 ASN C C 30 173.977 173.977 174.835 -0.858 25791 10066 1 26 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.209 -0.024 25791 10067 1 26 . 1 1 30 30 ASN CB C 30 38.426 38.426 37.157 1.269 25791 10068 1 26 . 1 1 30 30 ASN H H 30 7.293 7.293 7.824 -0.531 25791 10069 1 26 . 1 1 31 31 TYR N N 31 125.240 125.240 126.524 -1.284 25791 10070 1 26 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.071 -0.173 25791 10071 1 26 . 1 1 31 31 TYR C C 31 177.343 177.343 176.405 0.938 25791 10072 1 26 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.915 -1.104 25791 10073 1 26 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.684 -0.327 25791 10074 1 26 . 1 1 31 31 TYR H H 31 8.509 8.509 7.862 0.647 25791 10075 1 26 . 1 1 32 32 GLU N N 32 118.993 118.993 116.489 2.504 25791 10076 1 26 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.597 0.303 25791 10077 1 26 . 1 1 32 32 GLU C C 32 179.549 179.549 178.613 0.936 25791 10078 1 26 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.357 0.755 25791 10079 1 26 . 1 1 32 32 GLU CB C 32 29.168 29.168 27.996 1.172 25791 10080 1 26 . 1 1 32 32 GLU H H 32 8.714 8.714 8.704 0.010 25791 10081 1 26 . 1 1 33 33 GLN N N 33 117.037 117.037 118.955 -1.918 25791 10082 1 26 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.855 -0.122 25791 10083 1 26 . 1 1 33 33 GLN C C 33 179.119 179.119 178.496 0.623 25791 10084 1 26 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.228 -0.526 25791 10085 1 26 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.502 0.124 25791 10086 1 26 . 1 1 33 33 GLN H H 33 7.536 7.536 8.278 -0.742 25791 10087 1 26 . 1 1 34 34 GLN N N 34 117.723 117.723 119.522 -1.799 25791 10088 1 26 . 1 1 34 34 GLN HA H 34 3.811 3.811 3.997 -0.186 25791 10089 1 26 . 1 1 34 34 GLN C C 34 177.634 177.634 178.526 -0.892 25791 10090 1 26 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.354 0.811 25791 10091 1 26 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.522 -1.021 25791 10092 1 26 . 1 1 34 34 GLN H H 34 7.968 7.968 8.181 -0.213 25791 10093 1 26 . 1 1 35 35 GLN N N 35 115.293 115.293 118.770 -3.477 25791 10094 1 26 . 1 1 35 35 GLN HA H 35 3.791 3.791 3.959 -0.168 25791 10095 1 26 . 1 1 35 35 GLN C C 35 178.757 178.757 178.569 0.188 25791 10096 1 26 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.370 0.240 25791 10097 1 26 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.123 0.082 25791 10098 1 26 . 1 1 35 35 GLN H H 35 7.870 7.870 7.798 0.072 25791 10099 1 26 . 1 1 36 36 ILE N N 36 120.769 120.769 120.323 0.446 25791 10100 1 26 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.620 -0.056 25791 10101 1 26 . 1 1 36 36 ILE C C 36 178.273 178.273 178.181 0.092 25791 10102 1 26 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.078 0.158 25791 10103 1 26 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.603 0.770 25791 10104 1 26 . 1 1 36 36 ILE H H 36 7.503 7.503 7.996 -0.493 25791 10105 1 26 . 1 1 37 37 LEU N N 37 121.056 121.056 121.413 -0.357 25791 10106 1 26 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.022 0.287 25791 10107 1 26 . 1 1 37 37 LEU C C 37 178.348 178.348 178.161 0.187 25791 10108 1 26 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.889 -0.155 25791 10109 1 26 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.753 -0.237 25791 10110 1 26 . 1 1 37 37 LEU H H 37 7.678 7.678 7.752 -0.074 25791 10111 1 26 . 1 1 38 38 ILE N N 38 119.334 119.334 119.524 -0.190 25791 10112 1 26 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.399 -0.058 25791 10113 1 26 . 1 1 38 38 ILE C C 38 177.371 177.371 177.893 -0.522 25791 10114 1 26 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.590 1.495 25791 10115 1 26 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.493 0.856 25791 10116 1 26 . 1 1 38 38 ILE H H 38 8.702 8.702 8.168 0.534 25791 10117 1 26 . 1 1 39 39 ARG N N 39 117.798 117.798 119.533 -1.735 25791 10118 1 26 . 1 1 39 39 ARG HA H 39 4.215 4.215 3.957 0.258 25791 10119 1 26 . 1 1 39 39 ARG C C 39 179.555 179.555 179.106 0.449 25791 10120 1 26 . 1 1 39 39 ARG CA C 39 59.459 59.459 60.325 -0.866 25791 10121 1 26 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.933 -0.181 25791 10122 1 26 . 1 1 39 39 ARG H H 39 7.739 7.739 8.248 -0.509 25791 10123 1 26 . 1 1 40 40 GLN N N 40 119.432 119.432 118.524 0.908 25791 10124 1 26 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.061 0.076 25791 10125 1 26 . 1 1 40 40 GLN C C 40 179.522 179.522 178.642 0.880 25791 10126 1 26 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.889 0.371 25791 10127 1 26 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.497 -0.140 25791 10128 1 26 . 1 1 40 40 GLN H H 40 7.811 7.811 7.697 0.114 25791 10129 1 26 . 1 1 41 41 LEU N N 41 121.592 121.592 120.454 1.138 25791 10130 1 26 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.680 0.007 25791 10131 1 26 . 1 1 41 41 LEU C C 41 178.974 178.974 178.924 0.050 25791 10132 1 26 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.695 0.268 25791 10133 1 26 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.837 -0.985 25791 10134 1 26 . 1 1 41 41 LEU H H 41 8.648 8.648 7.975 0.673 25791 10135 1 26 . 1 1 42 42 GLN N N 42 119.054 119.054 118.092 0.962 25791 10136 1 26 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.257 0.287 25791 10137 1 26 . 1 1 42 42 GLN C C 42 180.176 180.176 178.656 1.520 25791 10138 1 26 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.337 -0.103 25791 10139 1 26 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.747 -0.827 25791 10140 1 26 . 1 1 42 42 GLN H H 42 8.641 8.641 8.404 0.237 25791 10141 1 26 . 1 1 43 43 GLU N N 43 121.517 121.517 121.262 0.255 25791 10142 1 26 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.024 0.212 25791 10143 1 26 . 1 1 43 43 GLU C C 43 179.721 179.721 178.948 0.773 25791 10144 1 26 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.650 0.017 25791 10145 1 26 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.459 -0.201 25791 10146 1 26 . 1 1 43 43 GLU H H 43 8.111 8.111 7.770 0.341 25791 10147 1 26 . 1 1 44 44 GLN N N 44 119.240 119.240 118.218 1.022 25791 10148 1 26 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.011 0.105 25791 10149 1 26 . 1 1 44 44 GLN C C 44 179.012 179.012 178.341 0.671 25791 10150 1 26 . 1 1 44 44 GLN CA C 44 59.149 59.149 59.163 -0.014 25791 10151 1 26 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.739 0.115 25791 10152 1 26 . 1 1 44 44 GLN H H 44 8.372 8.372 8.262 0.110 25791 10153 1 26 . 1 1 45 45 HIS N N 45 121.705 121.705 120.488 1.217 25791 10154 1 26 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.284 -0.004 25791 10155 1 26 . 1 1 45 45 HIS C C 45 176.395 176.395 177.405 -1.010 25791 10156 1 26 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.077 1.282 25791 10157 1 26 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.522 1.803 25791 10158 1 26 . 1 1 45 45 HIS H H 45 9.472 9.472 8.427 1.045 25791 10159 1 26 . 1 1 46 46 TYR N N 46 119.039 119.039 120.307 -1.268 25791 10160 1 26 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.104 -0.255 25791 10161 1 26 . 1 1 46 46 TYR C C 46 176.664 176.664 177.996 -1.332 25791 10162 1 26 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.901 0.350 25791 10163 1 26 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.491 -0.819 25791 10164 1 26 . 1 1 46 46 TYR H H 46 8.253 8.253 8.273 -0.020 25791 10165 1 26 . 1 1 47 47 GLN N N 47 116.407 116.407 117.640 -1.233 25791 10166 1 26 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.814 -0.030 25791 10167 1 26 . 1 1 47 47 GLN C C 47 179.048 179.048 178.407 0.641 25791 10168 1 26 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.623 -0.674 25791 10169 1 26 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.455 -0.274 25791 10170 1 26 . 1 1 47 47 GLN H H 47 7.814 7.814 8.345 -0.531 25791 10171 1 26 . 1 1 48 48 GLN N N 48 119.803 119.803 119.486 0.317 25791 10172 1 26 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.058 -0.081 25791 10173 1 26 . 1 1 48 48 GLN C C 48 177.741 177.741 178.162 -0.421 25791 10174 1 26 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.517 -0.203 25791 10175 1 26 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.426 -0.098 25791 10176 1 26 . 1 1 48 48 GLN H H 48 8.645 8.645 8.530 0.115 25791 10177 1 26 . 1 1 49 49 TYR N N 49 121.342 121.342 121.629 -0.287 25791 10178 1 26 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.117 -0.477 25791 10179 1 26 . 1 1 49 49 TYR C C 49 176.021 176.021 177.527 -1.506 25791 10180 1 26 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.385 0.724 25791 10181 1 26 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.188 0.719 25791 10182 1 26 . 1 1 49 49 TYR H H 49 9.105 9.105 8.413 0.692 25791 10183 1 26 . 1 1 50 50 MET N N 50 115.522 115.522 118.313 -2.791 25791 10184 1 26 . 1 1 50 50 MET HA H 50 4.040 4.040 3.662 0.379 25791 10185 1 26 . 1 1 50 50 MET C C 50 179.841 179.841 178.301 1.540 25791 10186 1 26 . 1 1 50 50 MET CA C 50 56.623 56.623 57.014 -0.391 25791 10187 1 26 . 1 1 50 50 MET CB C 50 30.099 30.099 31.669 -1.570 25791 10188 1 26 . 1 1 50 50 MET H H 50 8.060 8.060 8.227 -0.167 25791 10189 1 26 . 1 1 51 51 GLN N N 51 118.942 118.942 117.724 1.218 25791 10190 1 26 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.909 0.156 25791 10191 1 26 . 1 1 51 51 GLN C C 51 178.707 178.707 178.644 0.063 25791 10192 1 26 . 1 1 51 51 GLN CA C 51 58.941 58.941 58.910 0.031 25791 10193 1 26 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.041 0.449 25791 10194 1 26 . 1 1 51 51 GLN H H 51 7.830 7.830 7.927 -0.097 25791 10195 1 26 . 1 1 52 52 GLN N N 52 119.210 119.210 119.794 -0.584 25791 10196 1 26 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.123 -0.066 25791 10197 1 26 . 1 1 52 52 GLN C C 52 178.738 178.738 178.448 0.290 25791 10198 1 26 . 1 1 52 52 GLN CA C 52 58.749 58.749 57.995 0.754 25791 10199 1 26 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.320 0.083 25791 10200 1 26 . 1 1 52 52 GLN H H 52 8.187 8.187 7.932 0.255 25791 10201 1 26 . 1 1 53 53 LEU N N 53 121.233 121.233 121.501 -0.268 25791 10202 1 26 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.853 -0.012 25791 10203 1 26 . 1 1 53 53 LEU C C 53 179.191 179.191 178.016 1.175 25791 10204 1 26 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.813 -0.068 25791 10205 1 26 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.211 0.655 25791 10206 1 26 . 1 1 53 53 LEU H H 53 8.441 8.441 8.133 0.308 25791 10207 1 26 . 1 1 54 54 TYR N N 54 118.505 118.505 119.346 -0.841 25791 10208 1 26 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.905 0.413 25791 10209 1 26 . 1 1 54 54 TYR C C 54 177.535 177.535 177.478 0.057 25791 10210 1 26 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.440 -1.963 25791 10211 1 26 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.409 -0.623 25791 10212 1 26 . 1 1 54 54 TYR H H 54 7.819 7.819 8.232 -0.413 25791 10213 1 26 . 1 1 55 55 GLN N N 55 117.299 117.299 117.771 -0.472 25791 10214 1 26 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.067 -0.168 25791 10215 1 26 . 1 1 55 55 GLN C C 55 179.041 179.041 178.356 0.685 25791 10216 1 26 . 1 1 55 55 GLN CA C 55 58.709 58.709 59.017 -0.309 25791 10217 1 26 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.448 -0.233 25791 10218 1 26 . 1 1 55 55 GLN H H 55 7.735 7.735 7.706 0.029 25791 10219 1 26 . 1 1 56 56 VAL N N 56 120.879 120.879 119.870 1.009 25791 10220 1 26 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.658 0.134 25791 10221 1 26 . 1 1 56 56 VAL C C 56 178.262 178.262 178.146 0.116 25791 10222 1 26 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.263 -0.321 25791 10223 1 26 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.338 0.541 25791 10224 1 26 . 1 1 56 56 VAL H H 56 8.014 8.014 7.595 0.419 25791 10225 1 26 . 1 1 57 57 GLN N N 57 120.513 120.513 119.828 0.685 25791 10226 1 26 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.999 0.061 25791 10227 1 26 . 1 1 57 57 GLN C C 57 178.772 178.772 178.279 0.493 25791 10228 1 26 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.324 0.292 25791 10229 1 26 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.669 0.316 25791 10230 1 26 . 1 1 57 57 GLN H H 57 8.103 8.103 8.187 -0.084 25791 10231 1 26 . 1 1 58 58 LEU N N 58 121.244 121.244 121.400 -0.156 25791 10232 1 26 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.969 0.036 25791 10233 1 26 . 1 1 58 58 LEU C C 58 179.134 179.134 178.251 0.883 25791 10234 1 26 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.228 0.278 25791 10235 1 26 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.267 0.537 25791 10236 1 26 . 1 1 58 58 LEU H H 58 8.176 8.176 7.810 0.366 25791 10237 1 26 . 1 1 59 59 ALA N N 59 121.608 121.608 121.258 0.350 25791 10238 1 26 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.902 0.263 25791 10239 1 26 . 1 1 59 59 ALA C C 59 180.497 180.497 179.886 0.611 25791 10240 1 26 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.229 -0.647 25791 10241 1 26 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.120 -0.068 25791 10242 1 26 . 1 1 59 59 ALA H H 59 7.833 7.833 8.058 -0.225 25791 10243 1 26 . 1 1 60 60 GLN N N 60 118.335 118.335 117.754 0.581 25791 10244 1 26 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.914 0.234 25791 10245 1 26 . 1 1 60 60 GLN C C 60 178.334 178.334 178.407 -0.073 25791 10246 1 26 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.809 -0.832 25791 10247 1 26 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.626 -0.191 25791 10248 1 26 . 1 1 60 60 GLN H H 60 8.081 8.081 7.818 0.263 25791 10249 1 26 . 1 1 61 61 GLN N N 61 120.206 120.206 119.888 0.318 25791 10250 1 26 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.950 0.212 25791 10251 1 26 . 1 1 61 61 GLN C C 61 178.002 178.002 178.580 -0.578 25791 10252 1 26 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.943 -1.038 25791 10253 1 26 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.543 0.036 25791 10254 1 26 . 1 1 61 61 GLN H H 61 8.111 8.111 8.016 0.095 25791 10255 1 26 . 1 1 62 62 GLN N N 62 118.980 118.980 118.170 0.810 25791 10256 1 26 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.050 0.079 25791 10257 1 26 . 1 1 62 62 GLN C C 62 177.624 177.624 178.272 -0.648 25791 10258 1 26 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.556 -0.920 25791 10259 1 26 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.424 0.211 25791 10260 1 26 . 1 1 62 62 GLN H H 62 8.203 8.203 8.503 -0.300 25791 10261 1 26 . 1 1 63 63 ALA N N 63 122.712 122.712 121.818 0.894 25791 10262 1 26 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.147 0.059 25791 10263 1 26 . 1 1 63 63 ALA C C 63 178.922 178.922 178.910 0.012 25791 10264 1 26 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.398 -0.501 25791 10265 1 26 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.163 0.296 25791 10266 1 26 . 1 1 63 63 ALA H H 63 8.004 8.004 7.840 0.164 25791 10267 1 26 . 1 1 64 64 ALA N N 64 120.813 120.813 120.743 0.070 25791 10268 1 26 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.141 0.091 25791 10269 1 26 . 1 1 64 64 ALA C C 64 178.732 178.732 178.898 -0.166 25791 10270 1 26 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.047 -0.531 25791 10271 1 26 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.126 -0.496 25791 10272 1 26 . 1 1 64 64 ALA H H 64 7.837 7.837 7.601 0.236 25791 10273 1 26 . 1 1 65 65 LEU N N 65 119.196 119.196 118.786 0.410 25791 10274 1 26 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.244 0.013 25791 10275 1 26 . 1 1 65 65 LEU C C 65 178.038 178.038 177.974 0.064 25791 10276 1 26 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.268 -0.446 25791 10277 1 26 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.079 0.185 25791 10278 1 26 . 1 1 65 65 LEU H H 65 7.765 7.765 7.666 0.099 25791 10279 1 26 . 1 1 66 66 GLN N N 66 119.365 119.365 114.910 4.455 25791 10280 1 26 . 1 1 66 66 GLN HA H 66 4.275 4.275 4.005 0.270 25791 10281 1 26 . 1 1 66 66 GLN C C 66 176.120 176.120 175.998 0.122 25791 10282 1 26 . 1 1 66 66 GLN CA C 66 56.067 56.067 57.046 -0.979 25791 10283 1 26 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.712 2.420 25791 10284 1 26 . 1 1 66 66 GLN H H 66 7.967 7.967 8.160 -0.193 25791 10285 1 26 . 1 1 67 67 LYS N N 67 121.521 121.521 118.681 2.840 25791 10286 1 26 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.400 -0.091 25791 10287 1 26 . 1 1 67 67 LYS C C 67 176.437 176.437 176.124 0.313 25791 10288 1 26 . 1 1 67 67 LYS CA C 67 56.389 56.389 54.726 1.663 25791 10289 1 26 . 1 1 67 67 LYS CB C 67 33.041 33.041 33.015 0.026 25791 10290 1 26 . 1 1 67 67 LYS H H 67 8.053 8.053 8.158 -0.105 25791 10291 1 26 . 1 1 68 68 GLN N N 68 121.970 121.970 118.300 3.670 25791 10292 1 26 . 1 1 68 68 GLN HA H 68 4.339 4.339 3.999 0.340 25791 10293 1 26 . 1 1 68 68 GLN C C 68 175.120 175.120 175.400 -0.280 25791 10294 1 26 . 1 1 68 68 GLN CA C 68 56.000 56.000 56.726 -0.726 25791 10295 1 26 . 1 1 68 68 GLN CB C 68 29.498 29.498 27.357 2.142 25791 10296 1 26 . 1 1 68 68 GLN H H 68 8.314 8.314 8.432 -0.118 25791 10297 1 27 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.443 0.004 25791 10298 1 27 . 1 1 2 2 GLN C C 2 176.144 176.144 176.257 -0.113 25791 10299 1 27 . 1 1 2 2 GLN CA C 2 56.209 56.209 56.413 -0.204 25791 10300 1 27 . 1 1 2 2 GLN CB C 2 29.459 29.459 28.717 0.742 25791 10301 1 27 . 1 1 3 3 GLN N N 3 122.052 122.052 120.972 1.080 25791 10302 1 27 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.030 0.293 25791 10303 1 27 . 1 1 3 3 GLN C C 3 176.988 176.988 177.978 -0.990 25791 10304 1 27 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.871 -1.468 25791 10305 1 27 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.208 1.031 25791 10306 1 27 . 1 1 3 3 GLN H H 3 8.780 8.780 8.565 0.215 25791 10307 1 27 . 1 1 4 4 LYS N N 4 121.855 121.855 119.050 2.805 25791 10308 1 27 . 1 1 4 4 LYS HA H 4 4.004 4.004 3.998 0.006 25791 10309 1 27 . 1 1 4 4 LYS C C 4 177.638 177.638 178.448 -0.810 25791 10310 1 27 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.724 0.515 25791 10311 1 27 . 1 1 4 4 LYS CB C 4 32.699 32.699 31.943 0.756 25791 10312 1 27 . 1 1 4 4 LYS H H 4 8.528 8.528 8.400 0.128 25791 10313 1 27 . 1 1 5 5 GLN N N 5 116.397 116.397 118.047 -1.650 25791 10314 1 27 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.947 -0.006 25791 10315 1 27 . 1 1 5 5 GLN C C 5 178.761 178.761 178.471 0.290 25791 10316 1 27 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.970 0.379 25791 10317 1 27 . 1 1 5 5 GLN CB C 5 27.950 27.950 27.973 -0.023 25791 10318 1 27 . 1 1 5 5 GLN H H 5 8.223 8.223 7.681 0.542 25791 10319 1 27 . 1 1 6 6 GLN N N 6 119.262 119.262 118.856 0.406 25791 10320 1 27 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.087 0.041 25791 10321 1 27 . 1 1 6 6 GLN C C 6 179.018 179.018 178.381 0.637 25791 10322 1 27 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.754 0.335 25791 10323 1 27 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.156 0.554 25791 10324 1 27 . 1 1 6 6 GLN H H 6 7.848 7.848 7.715 0.133 25791 10325 1 27 . 1 1 7 7 ILE N N 7 121.296 121.296 121.716 -0.420 25791 10326 1 27 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.841 -0.258 25791 10327 1 27 . 1 1 7 7 ILE C C 7 177.833 177.833 178.257 -0.424 25791 10328 1 27 . 1 1 7 7 ILE CA C 7 65.129 65.129 63.380 1.749 25791 10329 1 27 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.071 1.135 25791 10330 1 27 . 1 1 7 7 ILE H H 7 8.095 8.095 7.330 0.765 25791 10331 1 27 . 1 1 8 8 MET N N 8 117.603 117.603 119.197 -1.594 25791 10332 1 27 . 1 1 8 8 MET HA H 8 3.985 3.985 4.026 -0.041 25791 10333 1 27 . 1 1 8 8 MET C C 8 177.355 177.355 178.614 -1.259 25791 10334 1 27 . 1 1 8 8 MET CA C 8 59.932 59.932 59.531 0.401 25791 10335 1 27 . 1 1 8 8 MET CB C 8 32.721 32.721 31.961 0.760 25791 10336 1 27 . 1 1 8 8 MET H H 8 8.672 8.672 8.536 0.136 25791 10337 1 27 . 1 1 9 9 ALA N N 9 118.774 118.774 121.468 -2.694 25791 10338 1 27 . 1 1 9 9 ALA HA H 9 4.046 4.046 3.967 0.079 25791 10339 1 27 . 1 1 9 9 ALA C C 9 180.546 180.546 179.244 1.302 25791 10340 1 27 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.320 0.065 25791 10341 1 27 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.902 -0.004 25791 10342 1 27 . 1 1 9 9 ALA H H 9 7.795 7.795 8.629 -0.834 25791 10343 1 27 . 1 1 10 10 ALA N N 10 120.854 120.854 121.473 -0.619 25791 10344 1 27 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.061 0.144 25791 10345 1 27 . 1 1 10 10 ALA C C 10 181.200 181.200 179.482 1.718 25791 10346 1 27 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.693 0.319 25791 10347 1 27 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.509 0.752 25791 10348 1 27 . 1 1 10 10 ALA H H 10 7.438 7.438 7.663 -0.225 25791 10349 1 27 . 1 1 11 11 LEU N N 11 120.775 120.775 118.953 1.822 25791 10350 1 27 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.759 -0.011 25791 10351 1 27 . 1 1 11 11 LEU C C 11 179.041 179.041 179.324 -0.283 25791 10352 1 27 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.832 0.514 25791 10353 1 27 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.313 -1.336 25791 10354 1 27 . 1 1 11 11 LEU H H 11 8.757 8.757 8.628 0.129 25791 10355 1 27 . 1 1 12 12 ASN N N 12 116.313 116.313 116.775 -0.462 25791 10356 1 27 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.601 -0.037 25791 10357 1 27 . 1 1 12 12 ASN C C 12 178.900 178.900 176.754 2.146 25791 10358 1 27 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.525 -1.460 25791 10359 1 27 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.069 -1.076 25791 10360 1 27 . 1 1 12 12 ASN H H 12 8.850 8.850 8.521 0.329 25791 10361 1 27 . 1 1 13 13 SER N N 13 114.747 114.747 114.948 -0.201 25791 10362 1 27 . 1 1 13 13 SER HA H 13 4.370 4.370 4.274 0.096 25791 10363 1 27 . 1 1 13 13 SER C C 13 176.515 176.515 176.782 -0.267 25791 10364 1 27 . 1 1 13 13 SER CA C 13 61.141 61.141 61.650 -0.509 25791 10365 1 27 . 1 1 13 13 SER CB C 13 63.044 63.044 63.379 -0.335 25791 10366 1 27 . 1 1 13 13 SER H H 13 7.672 7.672 7.811 -0.139 25791 10367 1 27 . 1 1 14 14 GLN N N 14 119.954 119.954 119.164 0.790 25791 10368 1 27 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.144 0.074 25791 10369 1 27 . 1 1 14 14 GLN C C 14 178.208 178.208 177.145 1.063 25791 10370 1 27 . 1 1 14 14 GLN CA C 14 57.749 57.749 58.170 -0.421 25791 10371 1 27 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.631 0.069 25791 10372 1 27 . 1 1 14 14 GLN H H 14 7.573 7.573 7.937 -0.364 25791 10373 1 27 . 1 1 15 15 THR N N 15 107.493 107.493 106.596 0.897 25791 10374 1 27 . 1 1 15 15 THR HA H 15 3.899 3.899 4.491 -0.592 25791 10375 1 27 . 1 1 15 15 THR C C 15 174.683 174.683 174.672 0.011 25791 10376 1 27 . 1 1 15 15 THR CA C 15 61.551 61.551 59.725 1.825 25791 10377 1 27 . 1 1 15 15 THR CB C 15 69.226 69.226 69.662 -0.436 25791 10378 1 27 . 1 1 15 15 THR H H 15 7.741 7.741 7.367 0.374 25791 10379 1 27 . 1 1 16 16 ALA N N 16 124.034 124.034 126.156 -2.122 25791 10380 1 27 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.032 0.103 25791 10381 1 27 . 1 1 16 16 ALA C C 16 179.899 179.899 178.593 1.306 25791 10382 1 27 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.726 0.481 25791 10383 1 27 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.186 0.538 25791 10384 1 27 . 1 1 16 16 ALA H H 16 6.873 6.873 7.329 -0.456 25791 10385 1 27 . 1 1 17 17 VAL N N 17 117.150 117.150 117.893 -0.743 25791 10386 1 27 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.771 -0.057 25791 10387 1 27 . 1 1 17 17 VAL C C 17 178.537 178.537 177.386 1.151 25791 10388 1 27 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.174 1.334 25791 10389 1 27 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.279 0.414 25791 10390 1 27 . 1 1 17 17 VAL H H 17 8.162 8.162 8.472 -0.310 25791 10391 1 27 . 1 1 18 18 GLN N N 18 119.489 119.489 119.687 -0.198 25791 10392 1 27 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.028 0.029 25791 10393 1 27 . 1 1 18 18 GLN C C 18 180.429 180.429 178.872 1.557 25791 10394 1 27 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.356 0.343 25791 10395 1 27 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.438 0.748 25791 10396 1 27 . 1 1 18 18 GLN H H 18 8.451 8.451 7.945 0.506 25791 10397 1 27 . 1 1 19 19 PHE N N 19 117.940 117.940 118.705 -0.765 25791 10398 1 27 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.469 0.361 25791 10399 1 27 . 1 1 19 19 PHE C C 19 177.858 177.858 178.279 -0.421 25791 10400 1 27 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.498 -1.469 25791 10401 1 27 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.187 -2.282 25791 10402 1 27 . 1 1 19 19 PHE H H 19 8.924 8.924 8.626 0.298 25791 10403 1 27 . 1 1 20 20 GLN N N 20 120.297 120.297 119.636 0.661 25791 10404 1 27 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.981 0.125 25791 10405 1 27 . 1 1 20 20 GLN C C 20 178.986 178.986 178.683 0.303 25791 10406 1 27 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.648 -0.085 25791 10407 1 27 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.582 -0.687 25791 10408 1 27 . 1 1 20 20 GLN H H 20 8.264 8.264 8.094 0.170 25791 10409 1 27 . 1 1 21 21 GLN N N 21 118.595 118.595 118.995 -0.400 25791 10410 1 27 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.093 -0.011 25791 10411 1 27 . 1 1 21 21 GLN C C 21 178.806 178.806 178.513 0.293 25791 10412 1 27 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.728 0.442 25791 10413 1 27 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.543 -0.347 25791 10414 1 27 . 1 1 21 21 GLN H H 21 8.527 8.527 8.506 0.021 25791 10415 1 27 . 1 1 22 22 TYR N N 22 119.594 119.594 121.711 -2.117 25791 10416 1 27 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.299 -0.052 25791 10417 1 27 . 1 1 22 22 TYR C C 22 177.789 177.789 177.433 0.356 25791 10418 1 27 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.487 1.225 25791 10419 1 27 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.421 0.303 25791 10420 1 27 . 1 1 22 22 TYR H H 22 7.843 7.843 8.090 -0.247 25791 10421 1 27 . 1 1 23 23 ALA N N 23 120.663 120.663 121.273 -0.610 25791 10422 1 27 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.782 0.075 25791 10423 1 27 . 1 1 23 23 ALA C C 23 179.319 179.319 178.725 0.594 25791 10424 1 27 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.893 0.696 25791 10425 1 27 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.178 0.304 25791 10426 1 27 . 1 1 23 23 ALA H H 23 8.612 8.612 8.603 0.009 25791 10427 1 27 . 1 1 24 24 ALA N N 24 119.002 119.002 120.752 -1.750 25791 10428 1 27 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.110 -0.172 25791 10429 1 27 . 1 1 24 24 ALA C C 24 178.987 178.987 179.059 -0.072 25791 10430 1 27 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.074 0.243 25791 10431 1 27 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.526 -0.635 25791 10432 1 27 . 1 1 24 24 ALA H H 24 8.168 8.168 7.957 0.211 25791 10433 1 27 . 1 1 25 25 GLN N N 25 115.599 115.599 116.917 -1.318 25791 10434 1 27 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.004 0.000 25791 10435 1 27 . 1 1 25 25 GLN C C 25 177.818 177.818 178.411 -0.593 25791 10436 1 27 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.047 -0.593 25791 10437 1 27 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.884 -0.429 25791 10438 1 27 . 1 1 25 25 GLN H H 25 7.300 7.300 7.718 -0.418 25791 10439 1 27 . 1 1 26 26 GLN N N 26 116.989 116.989 116.431 0.558 25791 10440 1 27 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.835 -0.131 25791 10441 1 27 . 1 1 26 26 GLN C C 26 175.979 175.979 175.993 -0.014 25791 10442 1 27 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.998 -0.210 25791 10443 1 27 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.383 -0.303 25791 10444 1 27 . 1 1 26 26 GLN H H 26 7.401 7.401 7.417 -0.016 25791 10445 1 27 . 1 1 27 27 TYR N N 27 114.712 114.712 117.631 -2.919 25791 10446 1 27 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.883 0.195 25791 10447 1 27 . 1 1 27 27 TYR C C 27 172.931 172.931 173.671 -0.740 25791 10448 1 27 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.508 0.659 25791 10449 1 27 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.337 1.323 25791 10450 1 27 . 1 1 27 27 TYR H H 27 7.675 7.675 7.996 -0.321 25791 10451 1 27 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.344 0.018 25791 10452 1 27 . 1 1 28 28 PRO C C 28 179.333 179.333 177.972 1.361 25791 10453 1 27 . 1 1 28 28 PRO CA C 28 64.394 64.394 64.039 0.355 25791 10454 1 27 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.370 -1.116 25791 10455 1 27 . 1 1 29 29 GLY N N 29 110.091 110.091 112.057 -1.966 25791 10456 1 27 . 1 1 29 29 GLY C C 29 173.218 173.218 174.697 -1.479 25791 10457 1 27 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.300 0.612 25791 10458 1 27 . 1 1 29 29 GLY H H 29 8.826 8.826 8.721 0.105 25791 10459 1 27 . 1 1 30 30 ASN N N 30 118.603 118.603 121.481 -2.878 25791 10460 1 27 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.924 0.075 25791 10461 1 27 . 1 1 30 30 ASN C C 30 173.977 173.977 175.294 -1.317 25791 10462 1 27 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.008 0.178 25791 10463 1 27 . 1 1 30 30 ASN CB C 30 38.426 38.426 38.021 0.405 25791 10464 1 27 . 1 1 30 30 ASN H H 30 7.293 7.293 7.649 -0.356 25791 10465 1 27 . 1 1 31 31 TYR N N 31 125.240 125.240 128.087 -2.847 25791 10466 1 27 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.111 -0.213 25791 10467 1 27 . 1 1 31 31 TYR C C 31 177.343 177.343 176.910 0.433 25791 10468 1 27 . 1 1 31 31 TYR CA C 31 61.811 61.811 61.910 -0.099 25791 10469 1 27 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.587 -0.230 25791 10470 1 27 . 1 1 31 31 TYR H H 31 8.509 8.509 8.218 0.291 25791 10471 1 27 . 1 1 32 32 GLU N N 32 118.993 118.993 118.523 0.470 25791 10472 1 27 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.760 0.140 25791 10473 1 27 . 1 1 32 32 GLU C C 32 179.549 179.549 178.903 0.646 25791 10474 1 27 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.594 0.518 25791 10475 1 27 . 1 1 32 32 GLU CB C 32 29.168 29.168 29.229 -0.061 25791 10476 1 27 . 1 1 32 32 GLU H H 32 8.714 8.714 8.341 0.373 25791 10477 1 27 . 1 1 33 33 GLN N N 33 117.037 117.037 118.388 -1.351 25791 10478 1 27 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.816 -0.083 25791 10479 1 27 . 1 1 33 33 GLN C C 33 179.119 179.119 178.613 0.506 25791 10480 1 27 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.135 -0.433 25791 10481 1 27 . 1 1 33 33 GLN CB C 33 27.626 27.626 28.069 -0.443 25791 10482 1 27 . 1 1 33 33 GLN H H 33 7.536 7.536 8.283 -0.747 25791 10483 1 27 . 1 1 34 34 GLN N N 34 117.723 117.723 119.639 -1.916 25791 10484 1 27 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.012 -0.201 25791 10485 1 27 . 1 1 34 34 GLN C C 34 177.634 177.634 178.516 -0.882 25791 10486 1 27 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.387 0.778 25791 10487 1 27 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.533 -1.032 25791 10488 1 27 . 1 1 34 34 GLN H H 34 7.968 7.968 8.330 -0.362 25791 10489 1 27 . 1 1 35 35 GLN N N 35 115.293 115.293 118.905 -3.612 25791 10490 1 27 . 1 1 35 35 GLN HA H 35 3.791 3.791 3.939 -0.148 25791 10491 1 27 . 1 1 35 35 GLN C C 35 178.757 178.757 178.600 0.157 25791 10492 1 27 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.457 0.153 25791 10493 1 27 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.147 0.058 25791 10494 1 27 . 1 1 35 35 GLN H H 35 7.870 7.870 7.949 -0.079 25791 10495 1 27 . 1 1 36 36 ILE N N 36 120.769 120.769 120.478 0.291 25791 10496 1 27 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.621 -0.057 25791 10497 1 27 . 1 1 36 36 ILE C C 36 178.273 178.273 178.153 0.120 25791 10498 1 27 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.178 0.058 25791 10499 1 27 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.647 0.726 25791 10500 1 27 . 1 1 36 36 ILE H H 36 7.503 7.503 7.977 -0.474 25791 10501 1 27 . 1 1 37 37 LEU N N 37 121.056 121.056 121.316 -0.260 25791 10502 1 27 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.042 0.267 25791 10503 1 27 . 1 1 37 37 LEU C C 37 178.348 178.348 178.211 0.137 25791 10504 1 27 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.783 -0.049 25791 10505 1 27 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.746 -0.230 25791 10506 1 27 . 1 1 37 37 LEU H H 37 7.678 7.678 7.808 -0.130 25791 10507 1 27 . 1 1 38 38 ILE N N 38 119.334 119.334 119.688 -0.354 25791 10508 1 27 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.419 -0.078 25791 10509 1 27 . 1 1 38 38 ILE C C 38 177.371 177.371 177.900 -0.529 25791 10510 1 27 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.660 1.425 25791 10511 1 27 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.499 0.850 25791 10512 1 27 . 1 1 38 38 ILE H H 38 8.702 8.702 8.509 0.193 25791 10513 1 27 . 1 1 39 39 ARG N N 39 117.798 117.798 119.816 -2.018 25791 10514 1 27 . 1 1 39 39 ARG HA H 39 4.215 4.215 3.961 0.254 25791 10515 1 27 . 1 1 39 39 ARG C C 39 179.555 179.555 179.097 0.458 25791 10516 1 27 . 1 1 39 39 ARG CA C 39 59.459 59.459 60.155 -0.696 25791 10517 1 27 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.934 -0.182 25791 10518 1 27 . 1 1 39 39 ARG H H 39 7.739 7.739 8.315 -0.576 25791 10519 1 27 . 1 1 40 40 GLN N N 40 119.432 119.432 118.826 0.606 25791 10520 1 27 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.043 0.094 25791 10521 1 27 . 1 1 40 40 GLN C C 40 179.522 179.522 178.628 0.894 25791 10522 1 27 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.952 0.308 25791 10523 1 27 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.710 -0.353 25791 10524 1 27 . 1 1 40 40 GLN H H 40 7.811 7.811 7.579 0.232 25791 10525 1 27 . 1 1 41 41 LEU N N 41 121.592 121.592 120.258 1.334 25791 10526 1 27 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.682 0.005 25791 10527 1 27 . 1 1 41 41 LEU C C 41 178.974 178.974 179.040 -0.066 25791 10528 1 27 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.634 0.329 25791 10529 1 27 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.866 -1.014 25791 10530 1 27 . 1 1 41 41 LEU H H 41 8.648 8.648 8.202 0.446 25791 10531 1 27 . 1 1 42 42 GLN N N 42 119.054 119.054 118.458 0.596 25791 10532 1 27 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.362 0.182 25791 10533 1 27 . 1 1 42 42 GLN C C 42 180.176 180.176 178.767 1.409 25791 10534 1 27 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.291 -0.057 25791 10535 1 27 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.932 -1.012 25791 10536 1 27 . 1 1 42 42 GLN H H 42 8.641 8.641 8.527 0.114 25791 10537 1 27 . 1 1 43 43 GLU N N 43 121.517 121.517 121.509 0.008 25791 10538 1 27 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.036 0.200 25791 10539 1 27 . 1 1 43 43 GLU C C 43 179.721 179.721 179.029 0.692 25791 10540 1 27 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.791 -0.124 25791 10541 1 27 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.534 -0.276 25791 10542 1 27 . 1 1 43 43 GLU H H 43 8.111 8.111 8.245 -0.134 25791 10543 1 27 . 1 1 44 44 GLN N N 44 119.240 119.240 117.882 1.358 25791 10544 1 27 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.054 0.062 25791 10545 1 27 . 1 1 44 44 GLN C C 44 179.012 179.012 178.348 0.664 25791 10546 1 27 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.990 0.159 25791 10547 1 27 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.772 0.082 25791 10548 1 27 . 1 1 44 44 GLN H H 44 8.372 8.372 8.212 0.160 25791 10549 1 27 . 1 1 45 45 HIS N N 45 121.705 121.705 121.095 0.610 25791 10550 1 27 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.288 -0.008 25791 10551 1 27 . 1 1 45 45 HIS C C 45 176.395 176.395 177.336 -0.941 25791 10552 1 27 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.156 1.203 25791 10553 1 27 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.523 1.802 25791 10554 1 27 . 1 1 45 45 HIS H H 45 9.472 9.472 8.187 1.285 25791 10555 1 27 . 1 1 46 46 TYR N N 46 119.039 119.039 120.583 -1.544 25791 10556 1 27 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.099 -0.250 25791 10557 1 27 . 1 1 46 46 TYR C C 46 176.664 176.664 178.041 -1.377 25791 10558 1 27 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.769 0.482 25791 10559 1 27 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.412 -0.740 25791 10560 1 27 . 1 1 46 46 TYR H H 46 8.253 8.253 8.560 -0.307 25791 10561 1 27 . 1 1 47 47 GLN N N 47 116.407 116.407 117.523 -1.116 25791 10562 1 27 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.755 0.029 25791 10563 1 27 . 1 1 47 47 GLN C C 47 179.048 179.048 178.571 0.477 25791 10564 1 27 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.292 -0.343 25791 10565 1 27 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.148 0.033 25791 10566 1 27 . 1 1 47 47 GLN H H 47 7.814 7.814 8.353 -0.539 25791 10567 1 27 . 1 1 48 48 GLN N N 48 119.803 119.803 119.598 0.205 25791 10568 1 27 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.093 -0.116 25791 10569 1 27 . 1 1 48 48 GLN C C 48 177.741 177.741 178.309 -0.568 25791 10570 1 27 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.315 -0.001 25791 10571 1 27 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.415 -0.087 25791 10572 1 27 . 1 1 48 48 GLN H H 48 8.645 8.645 8.535 0.110 25791 10573 1 27 . 1 1 49 49 TYR N N 49 121.342 121.342 121.450 -0.108 25791 10574 1 27 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.184 -0.544 25791 10575 1 27 . 1 1 49 49 TYR C C 49 176.021 176.021 177.556 -1.535 25791 10576 1 27 . 1 1 49 49 TYR CA C 49 62.109 62.109 60.988 1.121 25791 10577 1 27 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.247 0.660 25791 10578 1 27 . 1 1 49 49 TYR H H 49 9.105 9.105 8.498 0.607 25791 10579 1 27 . 1 1 50 50 MET N N 50 115.522 115.522 118.393 -2.871 25791 10580 1 27 . 1 1 50 50 MET HA H 50 4.040 4.040 3.492 0.548 25791 10581 1 27 . 1 1 50 50 MET C C 50 179.841 179.841 178.281 1.560 25791 10582 1 27 . 1 1 50 50 MET CA C 50 56.623 56.623 58.571 -1.948 25791 10583 1 27 . 1 1 50 50 MET CB C 50 30.099 30.099 32.127 -2.027 25791 10584 1 27 . 1 1 50 50 MET H H 50 8.060 8.060 8.330 -0.270 25791 10585 1 27 . 1 1 51 51 GLN N N 51 118.942 118.942 117.673 1.269 25791 10586 1 27 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.953 0.112 25791 10587 1 27 . 1 1 51 51 GLN C C 51 178.707 178.707 178.803 -0.096 25791 10588 1 27 . 1 1 51 51 GLN CA C 51 58.941 58.941 58.742 0.199 25791 10589 1 27 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.005 0.484 25791 10590 1 27 . 1 1 51 51 GLN H H 51 7.830 7.830 7.920 -0.090 25791 10591 1 27 . 1 1 52 52 GLN N N 52 119.210 119.210 119.845 -0.635 25791 10592 1 27 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.143 -0.086 25791 10593 1 27 . 1 1 52 52 GLN C C 52 178.738 178.738 178.587 0.151 25791 10594 1 27 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.055 0.694 25791 10595 1 27 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.653 -0.250 25791 10596 1 27 . 1 1 52 52 GLN H H 52 8.187 8.187 7.800 0.387 25791 10597 1 27 . 1 1 53 53 LEU N N 53 121.233 121.233 121.672 -0.439 25791 10598 1 27 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.897 -0.056 25791 10599 1 27 . 1 1 53 53 LEU C C 53 179.191 179.191 178.193 0.998 25791 10600 1 27 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.769 -0.024 25791 10601 1 27 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.206 0.660 25791 10602 1 27 . 1 1 53 53 LEU H H 53 8.441 8.441 8.177 0.264 25791 10603 1 27 . 1 1 54 54 TYR N N 54 118.505 118.505 118.827 -0.322 25791 10604 1 27 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.903 0.415 25791 10605 1 27 . 1 1 54 54 TYR C C 54 177.535 177.535 177.583 -0.048 25791 10606 1 27 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.354 -1.877 25791 10607 1 27 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.202 -0.416 25791 10608 1 27 . 1 1 54 54 TYR H H 54 7.819 7.819 8.316 -0.497 25791 10609 1 27 . 1 1 55 55 GLN N N 55 117.299 117.299 117.962 -0.663 25791 10610 1 27 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.074 -0.175 25791 10611 1 27 . 1 1 55 55 GLN C C 55 179.041 179.041 178.393 0.648 25791 10612 1 27 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.924 -0.215 25791 10613 1 27 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.583 -0.368 25791 10614 1 27 . 1 1 55 55 GLN H H 55 7.735 7.735 7.710 0.025 25791 10615 1 27 . 1 1 56 56 VAL N N 56 120.879 120.879 120.289 0.590 25791 10616 1 27 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.575 0.217 25791 10617 1 27 . 1 1 56 56 VAL C C 56 178.262 178.262 177.821 0.441 25791 10618 1 27 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.438 -0.496 25791 10619 1 27 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.762 0.117 25791 10620 1 27 . 1 1 56 56 VAL H H 56 8.014 8.014 7.808 0.206 25791 10621 1 27 . 1 1 57 57 GLN N N 57 120.513 120.513 119.556 0.957 25791 10622 1 27 . 1 1 57 57 GLN HA H 57 4.060 4.060 4.014 0.046 25791 10623 1 27 . 1 1 57 57 GLN C C 57 178.772 178.772 178.195 0.577 25791 10624 1 27 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.360 0.256 25791 10625 1 27 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.873 0.112 25791 10626 1 27 . 1 1 57 57 GLN H H 57 8.103 8.103 8.253 -0.150 25791 10627 1 27 . 1 1 58 58 LEU N N 58 121.244 121.244 122.505 -1.261 25791 10628 1 27 . 1 1 58 58 LEU HA H 58 4.005 4.005 4.149 -0.144 25791 10629 1 27 . 1 1 58 58 LEU C C 58 179.134 179.134 178.380 0.754 25791 10630 1 27 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.072 0.434 25791 10631 1 27 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.462 0.341 25791 10632 1 27 . 1 1 58 58 LEU H H 58 8.176 8.176 7.925 0.251 25791 10633 1 27 . 1 1 59 59 ALA N N 59 121.608 121.608 121.260 0.348 25791 10634 1 27 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.901 0.264 25791 10635 1 27 . 1 1 59 59 ALA C C 59 180.497 180.497 179.862 0.635 25791 10636 1 27 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.239 -0.657 25791 10637 1 27 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.097 -0.044 25791 10638 1 27 . 1 1 59 59 ALA H H 59 7.833 7.833 8.052 -0.219 25791 10639 1 27 . 1 1 60 60 GLN N N 60 118.335 118.335 117.804 0.531 25791 10640 1 27 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.892 0.256 25791 10641 1 27 . 1 1 60 60 GLN C C 60 178.334 178.334 178.487 -0.153 25791 10642 1 27 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.817 -0.840 25791 10643 1 27 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.605 -0.170 25791 10644 1 27 . 1 1 60 60 GLN H H 60 8.081 8.081 7.823 0.258 25791 10645 1 27 . 1 1 61 61 GLN N N 61 120.206 120.206 119.475 0.731 25791 10646 1 27 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.974 0.188 25791 10647 1 27 . 1 1 61 61 GLN C C 61 178.002 178.002 178.610 -0.608 25791 10648 1 27 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.769 -0.864 25791 10649 1 27 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.546 0.033 25791 10650 1 27 . 1 1 61 61 GLN H H 61 8.111 8.111 7.978 0.133 25791 10651 1 27 . 1 1 62 62 GLN N N 62 118.980 118.980 118.825 0.155 25791 10652 1 27 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.001 0.128 25791 10653 1 27 . 1 1 62 62 GLN C C 62 177.624 177.624 178.276 -0.652 25791 10654 1 27 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.935 -1.299 25791 10655 1 27 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.520 0.116 25791 10656 1 27 . 1 1 62 62 GLN H H 62 8.203 8.203 8.433 -0.230 25791 10657 1 27 . 1 1 63 63 ALA N N 63 122.712 122.712 121.429 1.283 25791 10658 1 27 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.183 0.023 25791 10659 1 27 . 1 1 63 63 ALA C C 63 178.922 178.922 178.739 0.183 25791 10660 1 27 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.242 -0.346 25791 10661 1 27 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.129 0.330 25791 10662 1 27 . 1 1 63 63 ALA H H 63 8.004 8.004 7.952 0.052 25791 10663 1 27 . 1 1 64 64 ALA N N 64 120.813 120.813 120.640 0.173 25791 10664 1 27 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.182 0.050 25791 10665 1 27 . 1 1 64 64 ALA C C 64 178.732 178.732 178.381 0.351 25791 10666 1 27 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.102 -0.587 25791 10667 1 27 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.166 -0.536 25791 10668 1 27 . 1 1 64 64 ALA H H 64 7.837 7.837 7.722 0.115 25791 10669 1 27 . 1 1 65 65 LEU N N 65 119.196 119.196 118.931 0.265 25791 10670 1 27 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.299 -0.042 25791 10671 1 27 . 1 1 65 65 LEU C C 65 178.038 178.038 177.590 0.448 25791 10672 1 27 . 1 1 65 65 LEU CA C 65 55.822 55.822 55.737 0.085 25791 10673 1 27 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.201 0.063 25791 10674 1 27 . 1 1 65 65 LEU H H 65 7.765 7.765 7.318 0.447 25791 10675 1 27 . 1 1 66 66 GLN N N 66 119.365 119.365 115.843 3.522 25791 10676 1 27 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.874 0.401 25791 10677 1 27 . 1 1 66 66 GLN C C 66 176.120 176.120 175.600 0.520 25791 10678 1 27 . 1 1 66 66 GLN CA C 66 56.067 56.067 57.039 -0.972 25791 10679 1 27 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.704 2.428 25791 10680 1 27 . 1 1 66 66 GLN H H 66 7.967 7.967 8.490 -0.523 25791 10681 1 27 . 1 1 67 67 LYS N N 67 121.521 121.521 117.553 3.968 25791 10682 1 27 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.383 -0.074 25791 10683 1 27 . 1 1 67 67 LYS C C 67 176.437 176.437 174.938 1.499 25791 10684 1 27 . 1 1 67 67 LYS CA C 67 56.389 56.389 56.098 0.291 25791 10685 1 27 . 1 1 67 67 LYS CB C 67 33.041 33.041 33.374 -0.333 25791 10686 1 27 . 1 1 67 67 LYS H H 67 8.053 8.053 8.192 -0.139 25791 10687 1 27 . 1 1 68 68 GLN N N 68 121.970 121.970 118.899 3.071 25791 10688 1 27 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.495 -0.156 25791 10689 1 27 . 1 1 68 68 GLN C C 68 175.120 175.120 175.356 -0.236 25791 10690 1 27 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.681 0.319 25791 10691 1 27 . 1 1 68 68 GLN CB C 68 29.498 29.498 29.766 -0.268 25791 10692 1 27 . 1 1 68 68 GLN H H 68 8.314 8.314 8.062 0.252 25791 10693 1 28 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.315 0.132 25791 10694 1 28 . 1 1 2 2 GLN C C 2 176.144 176.144 177.383 -1.239 25791 10695 1 28 . 1 1 2 2 GLN CA C 2 56.209 56.209 56.751 -0.542 25791 10696 1 28 . 1 1 2 2 GLN CB C 2 29.459 29.459 28.793 0.666 25791 10697 1 28 . 1 1 3 3 GLN N N 3 122.052 122.052 119.138 2.914 25791 10698 1 28 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.018 0.305 25791 10699 1 28 . 1 1 3 3 GLN C C 3 176.988 176.988 177.272 -0.284 25791 10700 1 28 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.187 -0.784 25791 10701 1 28 . 1 1 3 3 GLN CB C 3 29.239 29.239 27.994 1.245 25791 10702 1 28 . 1 1 3 3 GLN H H 3 8.780 8.780 8.727 0.053 25791 10703 1 28 . 1 1 4 4 LYS N N 4 121.855 121.855 120.592 1.263 25791 10704 1 28 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.093 -0.089 25791 10705 1 28 . 1 1 4 4 LYS C C 4 177.638 177.638 178.443 -0.805 25791 10706 1 28 . 1 1 4 4 LYS CA C 4 60.239 60.239 58.702 1.537 25791 10707 1 28 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.046 0.653 25791 10708 1 28 . 1 1 4 4 LYS H H 4 8.528 8.528 8.103 0.425 25791 10709 1 28 . 1 1 5 5 GLN N N 5 116.397 116.397 118.535 -2.138 25791 10710 1 28 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.848 0.093 25791 10711 1 28 . 1 1 5 5 GLN C C 5 178.761 178.761 178.499 0.262 25791 10712 1 28 . 1 1 5 5 GLN CA C 5 59.349 59.349 59.094 0.255 25791 10713 1 28 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.551 -0.601 25791 10714 1 28 . 1 1 5 5 GLN H H 5 8.223 8.223 7.872 0.351 25791 10715 1 28 . 1 1 6 6 GLN N N 6 119.262 119.262 118.184 1.078 25791 10716 1 28 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.082 0.046 25791 10717 1 28 . 1 1 6 6 GLN C C 6 179.018 179.018 178.457 0.561 25791 10718 1 28 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.502 0.587 25791 10719 1 28 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.122 0.588 25791 10720 1 28 . 1 1 6 6 GLN H H 6 7.848 7.848 7.781 0.067 25791 10721 1 28 . 1 1 7 7 ILE N N 7 121.296 121.296 121.232 0.064 25791 10722 1 28 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.824 -0.241 25791 10723 1 28 . 1 1 7 7 ILE C C 7 177.833 177.833 178.018 -0.185 25791 10724 1 28 . 1 1 7 7 ILE CA C 7 65.129 65.129 62.675 2.454 25791 10725 1 28 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.166 1.040 25791 10726 1 28 . 1 1 7 7 ILE H H 7 8.095 8.095 7.259 0.836 25791 10727 1 28 . 1 1 8 8 MET N N 8 117.603 117.603 118.821 -1.218 25791 10728 1 28 . 1 1 8 8 MET HA H 8 3.985 3.985 3.975 0.010 25791 10729 1 28 . 1 1 8 8 MET C C 8 177.355 177.355 178.738 -1.383 25791 10730 1 28 . 1 1 8 8 MET CA C 8 59.932 59.932 59.576 0.356 25791 10731 1 28 . 1 1 8 8 MET CB C 8 32.721 32.721 32.024 0.697 25791 10732 1 28 . 1 1 8 8 MET H H 8 8.672 8.672 8.150 0.522 25791 10733 1 28 . 1 1 9 9 ALA N N 9 118.774 118.774 121.530 -2.756 25791 10734 1 28 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.000 0.046 25791 10735 1 28 . 1 1 9 9 ALA C C 9 180.546 180.546 179.232 1.314 25791 10736 1 28 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.149 0.236 25791 10737 1 28 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.935 -0.037 25791 10738 1 28 . 1 1 9 9 ALA H H 9 7.795 7.795 8.186 -0.391 25791 10739 1 28 . 1 1 10 10 ALA N N 10 120.854 120.854 121.237 -0.383 25791 10740 1 28 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.105 0.100 25791 10741 1 28 . 1 1 10 10 ALA C C 10 181.200 181.200 179.366 1.834 25791 10742 1 28 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.479 0.533 25791 10743 1 28 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.539 0.722 25791 10744 1 28 . 1 1 10 10 ALA H H 10 7.438 7.438 7.442 -0.004 25791 10745 1 28 . 1 1 11 11 LEU N N 11 120.775 120.775 118.539 2.236 25791 10746 1 28 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.746 0.002 25791 10747 1 28 . 1 1 11 11 LEU C C 11 179.041 179.041 179.162 -0.121 25791 10748 1 28 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.904 0.442 25791 10749 1 28 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.155 -1.178 25791 10750 1 28 . 1 1 11 11 LEU H H 11 8.757 8.757 8.374 0.383 25791 10751 1 28 . 1 1 12 12 ASN N N 12 116.313 116.313 118.174 -1.861 25791 10752 1 28 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.484 0.080 25791 10753 1 28 . 1 1 12 12 ASN C C 12 178.900 178.900 177.637 1.263 25791 10754 1 28 . 1 1 12 12 ASN CA C 12 54.065 54.065 56.117 -2.053 25791 10755 1 28 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.709 -1.716 25791 10756 1 28 . 1 1 12 12 ASN H H 12 8.850 8.850 8.376 0.474 25791 10757 1 28 . 1 1 13 13 SER N N 13 114.747 114.747 116.243 -1.496 25791 10758 1 28 . 1 1 13 13 SER HA H 13 4.370 4.370 4.106 0.264 25791 10759 1 28 . 1 1 13 13 SER C C 13 176.515 176.515 176.892 -0.377 25791 10760 1 28 . 1 1 13 13 SER CA C 13 61.141 61.141 61.251 -0.110 25791 10761 1 28 . 1 1 13 13 SER CB C 13 63.044 63.044 63.178 -0.134 25791 10762 1 28 . 1 1 13 13 SER H H 13 7.672 7.672 7.698 -0.026 25791 10763 1 28 . 1 1 14 14 GLN N N 14 119.954 119.954 118.646 1.308 25791 10764 1 28 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.193 0.025 25791 10765 1 28 . 1 1 14 14 GLN C C 14 178.208 178.208 177.276 0.932 25791 10766 1 28 . 1 1 14 14 GLN CA C 14 57.749 57.749 58.139 -0.390 25791 10767 1 28 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.712 -0.012 25791 10768 1 28 . 1 1 14 14 GLN H H 14 7.573 7.573 7.683 -0.110 25791 10769 1 28 . 1 1 15 15 THR N N 15 107.493 107.493 108.862 -1.369 25791 10770 1 28 . 1 1 15 15 THR HA H 15 3.899 3.899 4.261 -0.362 25791 10771 1 28 . 1 1 15 15 THR C C 15 174.683 174.683 174.673 0.010 25791 10772 1 28 . 1 1 15 15 THR CA C 15 61.551 61.551 60.810 0.741 25791 10773 1 28 . 1 1 15 15 THR CB C 15 69.226 69.226 68.998 0.228 25791 10774 1 28 . 1 1 15 15 THR H H 15 7.741 7.741 7.432 0.309 25791 10775 1 28 . 1 1 16 16 ALA N N 16 124.034 124.034 125.928 -1.894 25791 10776 1 28 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.017 0.118 25791 10777 1 28 . 1 1 16 16 ALA C C 16 179.899 179.899 178.952 0.947 25791 10778 1 28 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.712 0.495 25791 10779 1 28 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.099 0.625 25791 10780 1 28 . 1 1 16 16 ALA H H 16 6.873 6.873 7.147 -0.274 25791 10781 1 28 . 1 1 17 17 VAL N N 17 117.150 117.150 117.812 -0.662 25791 10782 1 28 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.744 -0.030 25791 10783 1 28 . 1 1 17 17 VAL C C 17 178.537 178.537 177.443 1.094 25791 10784 1 28 . 1 1 17 17 VAL CA C 17 66.508 66.508 64.984 1.524 25791 10785 1 28 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.775 -0.082 25791 10786 1 28 . 1 1 17 17 VAL H H 17 8.162 8.162 8.366 -0.204 25791 10787 1 28 . 1 1 18 18 GLN N N 18 119.489 119.489 119.675 -0.186 25791 10788 1 28 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.025 0.032 25791 10789 1 28 . 1 1 18 18 GLN C C 18 180.429 180.429 178.870 1.559 25791 10790 1 28 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.325 0.374 25791 10791 1 28 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.435 0.751 25791 10792 1 28 . 1 1 18 18 GLN H H 18 8.451 8.451 7.982 0.469 25791 10793 1 28 . 1 1 19 19 PHE N N 19 117.940 117.940 118.723 -0.783 25791 10794 1 28 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.476 0.354 25791 10795 1 28 . 1 1 19 19 PHE C C 19 177.858 177.858 178.251 -0.393 25791 10796 1 28 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.659 -1.630 25791 10797 1 28 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.196 -2.291 25791 10798 1 28 . 1 1 19 19 PHE H H 19 8.924 8.924 8.725 0.199 25791 10799 1 28 . 1 1 20 20 GLN N N 20 120.297 120.297 119.329 0.968 25791 10800 1 28 . 1 1 20 20 GLN HA H 20 4.106 4.106 4.044 0.062 25791 10801 1 28 . 1 1 20 20 GLN C C 20 178.986 178.986 178.733 0.253 25791 10802 1 28 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.555 0.008 25791 10803 1 28 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.509 -0.614 25791 10804 1 28 . 1 1 20 20 GLN H H 20 8.264 8.264 8.100 0.164 25791 10805 1 28 . 1 1 21 21 GLN N N 21 118.595 118.595 119.156 -0.561 25791 10806 1 28 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.087 -0.005 25791 10807 1 28 . 1 1 21 21 GLN C C 21 178.806 178.806 178.627 0.179 25791 10808 1 28 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.940 0.230 25791 10809 1 28 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.950 -0.754 25791 10810 1 28 . 1 1 21 21 GLN H H 21 8.527 8.527 8.293 0.234 25791 10811 1 28 . 1 1 22 22 TYR N N 22 119.594 119.594 121.024 -1.430 25791 10812 1 28 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.155 0.092 25791 10813 1 28 . 1 1 22 22 TYR C C 22 177.789 177.789 177.035 0.754 25791 10814 1 28 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.458 1.254 25791 10815 1 28 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.374 0.349 25791 10816 1 28 . 1 1 22 22 TYR H H 22 7.843 7.843 8.033 -0.190 25791 10817 1 28 . 1 1 23 23 ALA N N 23 120.663 120.663 121.402 -0.739 25791 10818 1 28 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.753 0.104 25791 10819 1 28 . 1 1 23 23 ALA C C 23 179.319 179.319 178.673 0.646 25791 10820 1 28 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.938 0.651 25791 10821 1 28 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.174 0.308 25791 10822 1 28 . 1 1 23 23 ALA H H 23 8.612 8.612 8.728 -0.116 25791 10823 1 28 . 1 1 24 24 ALA N N 24 119.002 119.002 119.732 -0.730 25791 10824 1 28 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.136 -0.198 25791 10825 1 28 . 1 1 24 24 ALA C C 24 178.987 178.987 178.881 0.106 25791 10826 1 28 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.239 0.078 25791 10827 1 28 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.485 -0.594 25791 10828 1 28 . 1 1 24 24 ALA H H 24 8.168 8.168 7.928 0.240 25791 10829 1 28 . 1 1 25 25 GLN N N 25 115.599 115.599 116.844 -1.245 25791 10830 1 28 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.054 -0.050 25791 10831 1 28 . 1 1 25 25 GLN C C 25 177.818 177.818 178.050 -0.232 25791 10832 1 28 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.093 -0.639 25791 10833 1 28 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.733 -0.278 25791 10834 1 28 . 1 1 25 25 GLN H H 25 7.300 7.300 7.442 -0.142 25791 10835 1 28 . 1 1 26 26 GLN N N 26 116.989 116.989 116.457 0.532 25791 10836 1 28 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.878 -0.174 25791 10837 1 28 . 1 1 26 26 GLN C C 26 175.979 175.979 175.959 0.020 25791 10838 1 28 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.992 -0.204 25791 10839 1 28 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.665 -0.585 25791 10840 1 28 . 1 1 26 26 GLN H H 26 7.401 7.401 7.281 0.120 25791 10841 1 28 . 1 1 27 27 TYR N N 27 114.712 114.712 117.856 -3.144 25791 10842 1 28 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.869 0.209 25791 10843 1 28 . 1 1 27 27 TYR C C 27 172.931 172.931 173.648 -0.717 25791 10844 1 28 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.730 0.437 25791 10845 1 28 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.425 1.235 25791 10846 1 28 . 1 1 27 27 TYR H H 27 7.675 7.675 8.109 -0.434 25791 10847 1 28 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.367 -0.005 25791 10848 1 28 . 1 1 28 28 PRO C C 28 179.333 179.333 178.233 1.100 25791 10849 1 28 . 1 1 28 28 PRO CA C 28 64.394 64.394 63.722 0.671 25791 10850 1 28 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.275 -1.021 25791 10851 1 28 . 1 1 29 29 GLY N N 29 110.091 110.091 113.144 -3.053 25791 10852 1 28 . 1 1 29 29 GLY C C 29 173.218 173.218 174.565 -1.347 25791 10853 1 28 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.931 -0.019 25791 10854 1 28 . 1 1 29 29 GLY H H 29 8.826 8.826 8.812 0.014 25791 10855 1 28 . 1 1 30 30 ASN N N 30 118.603 118.603 122.448 -3.845 25791 10856 1 28 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.883 0.116 25791 10857 1 28 . 1 1 30 30 ASN C C 30 173.977 173.977 175.575 -1.598 25791 10858 1 28 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.484 -0.299 25791 10859 1 28 . 1 1 30 30 ASN CB C 30 38.426 38.426 37.045 1.381 25791 10860 1 28 . 1 1 30 30 ASN H H 30 7.293 7.293 7.574 -0.281 25791 10861 1 28 . 1 1 31 31 TYR N N 31 125.240 125.240 121.278 3.962 25791 10862 1 28 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.474 -0.576 25791 10863 1 28 . 1 1 31 31 TYR C C 31 177.343 177.343 176.948 0.395 25791 10864 1 28 . 1 1 31 31 TYR CA C 31 61.811 61.811 60.522 1.289 25791 10865 1 28 . 1 1 31 31 TYR CB C 31 38.357 38.357 37.544 0.813 25791 10866 1 28 . 1 1 31 31 TYR H H 31 8.509 8.509 7.876 0.633 25791 10867 1 28 . 1 1 32 32 GLU N N 32 118.993 118.993 119.155 -0.162 25791 10868 1 28 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.788 0.112 25791 10869 1 28 . 1 1 32 32 GLU C C 32 179.549 179.549 178.917 0.632 25791 10870 1 28 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.027 1.085 25791 10871 1 28 . 1 1 32 32 GLU CB C 32 29.168 29.168 27.801 1.367 25791 10872 1 28 . 1 1 32 32 GLU H H 32 8.714 8.714 7.738 0.976 25791 10873 1 28 . 1 1 33 33 GLN N N 33 117.037 117.037 118.921 -1.884 25791 10874 1 28 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.851 -0.118 25791 10875 1 28 . 1 1 33 33 GLN C C 33 179.119 179.119 178.537 0.582 25791 10876 1 28 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.098 -0.396 25791 10877 1 28 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.493 0.133 25791 10878 1 28 . 1 1 33 33 GLN H H 33 7.536 7.536 7.646 -0.110 25791 10879 1 28 . 1 1 34 34 GLN N N 34 117.723 117.723 119.829 -2.106 25791 10880 1 28 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.044 -0.233 25791 10881 1 28 . 1 1 34 34 GLN C C 34 177.634 177.634 178.618 -0.984 25791 10882 1 28 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.501 0.664 25791 10883 1 28 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.601 -1.100 25791 10884 1 28 . 1 1 34 34 GLN H H 34 7.968 7.968 8.390 -0.422 25791 10885 1 28 . 1 1 35 35 GLN N N 35 115.293 115.293 118.936 -3.643 25791 10886 1 28 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.121 -0.330 25791 10887 1 28 . 1 1 35 35 GLN C C 35 178.757 178.757 178.656 0.101 25791 10888 1 28 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.671 -0.061 25791 10889 1 28 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.516 -0.311 25791 10890 1 28 . 1 1 35 35 GLN H H 35 7.870 7.870 8.180 -0.310 25791 10891 1 28 . 1 1 36 36 ILE N N 36 120.769 120.769 120.672 0.097 25791 10892 1 28 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.659 -0.095 25791 10893 1 28 . 1 1 36 36 ILE C C 36 178.273 178.273 178.117 0.156 25791 10894 1 28 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.160 0.076 25791 10895 1 28 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.675 0.699 25791 10896 1 28 . 1 1 36 36 ILE H H 36 7.503 7.503 7.851 -0.348 25791 10897 1 28 . 1 1 37 37 LEU N N 37 121.056 121.056 121.333 -0.277 25791 10898 1 28 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.064 0.245 25791 10899 1 28 . 1 1 37 37 LEU C C 37 178.348 178.348 178.205 0.143 25791 10900 1 28 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.765 -0.031 25791 10901 1 28 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.762 -0.246 25791 10902 1 28 . 1 1 37 37 LEU H H 37 7.678 7.678 7.940 -0.262 25791 10903 1 28 . 1 1 38 38 ILE N N 38 119.334 119.334 119.799 -0.465 25791 10904 1 28 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.472 -0.131 25791 10905 1 28 . 1 1 38 38 ILE C C 38 177.371 177.371 177.886 -0.515 25791 10906 1 28 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.659 1.426 25791 10907 1 28 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.579 0.770 25791 10908 1 28 . 1 1 38 38 ILE H H 38 8.702 8.702 8.378 0.324 25791 10909 1 28 . 1 1 39 39 ARG N N 39 117.798 117.798 119.833 -2.035 25791 10910 1 28 . 1 1 39 39 ARG HA H 39 4.215 4.215 3.978 0.237 25791 10911 1 28 . 1 1 39 39 ARG C C 39 179.555 179.555 179.151 0.404 25791 10912 1 28 . 1 1 39 39 ARG CA C 39 59.459 59.459 60.086 -0.627 25791 10913 1 28 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.951 -0.199 25791 10914 1 28 . 1 1 39 39 ARG H H 39 7.739 7.739 8.343 -0.604 25791 10915 1 28 . 1 1 40 40 GLN N N 40 119.432 119.432 118.808 0.624 25791 10916 1 28 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.026 0.111 25791 10917 1 28 . 1 1 40 40 GLN C C 40 179.522 179.522 178.507 1.015 25791 10918 1 28 . 1 1 40 40 GLN CA C 40 59.260 59.260 59.032 0.228 25791 10919 1 28 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.720 -0.362 25791 10920 1 28 . 1 1 40 40 GLN H H 40 7.811 7.811 7.570 0.241 25791 10921 1 28 . 1 1 41 41 LEU N N 41 121.592 121.592 120.116 1.476 25791 10922 1 28 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.699 -0.011 25791 10923 1 28 . 1 1 41 41 LEU C C 41 178.974 178.974 179.024 -0.050 25791 10924 1 28 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.675 0.288 25791 10925 1 28 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.876 -1.024 25791 10926 1 28 . 1 1 41 41 LEU H H 41 8.648 8.648 8.141 0.507 25791 10927 1 28 . 1 1 42 42 GLN N N 42 119.054 119.054 118.174 0.880 25791 10928 1 28 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.352 0.192 25791 10929 1 28 . 1 1 42 42 GLN C C 42 180.176 180.176 178.790 1.386 25791 10930 1 28 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.389 -0.155 25791 10931 1 28 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.845 -0.925 25791 10932 1 28 . 1 1 42 42 GLN H H 42 8.641 8.641 8.527 0.114 25791 10933 1 28 . 1 1 43 43 GLU N N 43 121.517 121.517 121.453 0.064 25791 10934 1 28 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.073 0.163 25791 10935 1 28 . 1 1 43 43 GLU C C 43 179.721 179.721 178.942 0.779 25791 10936 1 28 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.656 0.011 25791 10937 1 28 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.498 -0.240 25791 10938 1 28 . 1 1 43 43 GLU H H 43 8.111 8.111 7.902 0.209 25791 10939 1 28 . 1 1 44 44 GLN N N 44 119.240 119.240 118.284 0.956 25791 10940 1 28 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.028 0.088 25791 10941 1 28 . 1 1 44 44 GLN C C 44 179.012 179.012 178.381 0.631 25791 10942 1 28 . 1 1 44 44 GLN CA C 44 59.149 59.149 59.133 0.016 25791 10943 1 28 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.786 0.068 25791 10944 1 28 . 1 1 44 44 GLN H H 44 8.372 8.372 8.299 0.073 25791 10945 1 28 . 1 1 45 45 HIS N N 45 121.705 121.705 120.747 0.958 25791 10946 1 28 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.269 0.011 25791 10947 1 28 . 1 1 45 45 HIS C C 45 176.395 176.395 177.161 -0.766 25791 10948 1 28 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.169 1.190 25791 10949 1 28 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.538 1.787 25791 10950 1 28 . 1 1 45 45 HIS H H 45 9.472 9.472 8.514 0.958 25791 10951 1 28 . 1 1 46 46 TYR N N 46 119.039 119.039 120.665 -1.626 25791 10952 1 28 . 1 1 46 46 TYR HA H 46 3.849 3.849 3.992 -0.143 25791 10953 1 28 . 1 1 46 46 TYR C C 46 176.664 176.664 178.111 -1.447 25791 10954 1 28 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.887 0.364 25791 10955 1 28 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.378 -0.706 25791 10956 1 28 . 1 1 46 46 TYR H H 46 8.253 8.253 8.321 -0.068 25791 10957 1 28 . 1 1 47 47 GLN N N 47 116.407 116.407 117.088 -0.681 25791 10958 1 28 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.836 -0.052 25791 10959 1 28 . 1 1 47 47 GLN C C 47 179.048 179.048 178.725 0.323 25791 10960 1 28 . 1 1 47 47 GLN CA C 47 58.949 58.949 58.833 0.116 25791 10961 1 28 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.015 0.166 25791 10962 1 28 . 1 1 47 47 GLN H H 47 7.814 7.814 8.384 -0.570 25791 10963 1 28 . 1 1 48 48 GLN N N 48 119.803 119.803 120.621 -0.818 25791 10964 1 28 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.113 -0.136 25791 10965 1 28 . 1 1 48 48 GLN C C 48 177.741 177.741 178.146 -0.405 25791 10966 1 28 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.347 -0.033 25791 10967 1 28 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.388 -0.060 25791 10968 1 28 . 1 1 48 48 GLN H H 48 8.645 8.645 8.521 0.124 25791 10969 1 28 . 1 1 49 49 TYR N N 49 121.342 121.342 121.824 -0.482 25791 10970 1 28 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.160 -0.520 25791 10971 1 28 . 1 1 49 49 TYR C C 49 176.021 176.021 177.336 -1.315 25791 10972 1 28 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.795 0.314 25791 10973 1 28 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.236 0.671 25791 10974 1 28 . 1 1 49 49 TYR H H 49 9.105 9.105 8.834 0.271 25791 10975 1 28 . 1 1 50 50 MET N N 50 115.522 115.522 118.440 -2.918 25791 10976 1 28 . 1 1 50 50 MET HA H 50 4.040 4.040 3.792 0.248 25791 10977 1 28 . 1 1 50 50 MET C C 50 179.841 179.841 178.168 1.673 25791 10978 1 28 . 1 1 50 50 MET CA C 50 56.623 56.623 56.836 -0.213 25791 10979 1 28 . 1 1 50 50 MET CB C 50 30.099 30.099 31.636 -1.537 25791 10980 1 28 . 1 1 50 50 MET H H 50 8.060 8.060 8.376 -0.316 25791 10981 1 28 . 1 1 51 51 GLN N N 51 118.942 118.942 118.729 0.213 25791 10982 1 28 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.888 0.177 25791 10983 1 28 . 1 1 51 51 GLN C C 51 178.707 178.707 178.389 0.318 25791 10984 1 28 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.445 -0.504 25791 10985 1 28 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.347 0.142 25791 10986 1 28 . 1 1 51 51 GLN H H 51 7.830 7.830 7.775 0.055 25791 10987 1 28 . 1 1 52 52 GLN N N 52 119.210 119.210 119.393 -0.183 25791 10988 1 28 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.071 -0.014 25791 10989 1 28 . 1 1 52 52 GLN C C 52 178.738 178.738 178.634 0.104 25791 10990 1 28 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.411 0.338 25791 10991 1 28 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.735 -0.332 25791 10992 1 28 . 1 1 52 52 GLN H H 52 8.187 8.187 8.102 0.085 25791 10993 1 28 . 1 1 53 53 LEU N N 53 121.233 121.233 121.324 -0.091 25791 10994 1 28 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.820 0.021 25791 10995 1 28 . 1 1 53 53 LEU C C 53 179.191 179.191 177.966 1.225 25791 10996 1 28 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.691 0.054 25791 10997 1 28 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.263 0.603 25791 10998 1 28 . 1 1 53 53 LEU H H 53 8.441 8.441 8.139 0.302 25791 10999 1 28 . 1 1 54 54 TYR N N 54 118.505 118.505 119.197 -0.692 25791 11000 1 28 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.915 0.403 25791 11001 1 28 . 1 1 54 54 TYR C C 54 177.535 177.535 177.468 0.067 25791 11002 1 28 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.370 -1.893 25791 11003 1 28 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.376 -0.590 25791 11004 1 28 . 1 1 54 54 TYR H H 54 7.819 7.819 8.220 -0.401 25791 11005 1 28 . 1 1 55 55 GLN N N 55 117.299 117.299 117.649 -0.350 25791 11006 1 28 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.074 -0.175 25791 11007 1 28 . 1 1 55 55 GLN C C 55 179.041 179.041 178.350 0.691 25791 11008 1 28 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.912 -0.203 25791 11009 1 28 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.631 -0.416 25791 11010 1 28 . 1 1 55 55 GLN H H 55 7.735 7.735 7.631 0.104 25791 11011 1 28 . 1 1 56 56 VAL N N 56 120.879 120.879 120.138 0.741 25791 11012 1 28 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.667 0.125 25791 11013 1 28 . 1 1 56 56 VAL C C 56 178.262 178.262 178.142 0.120 25791 11014 1 28 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.266 -0.324 25791 11015 1 28 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.315 0.564 25791 11016 1 28 . 1 1 56 56 VAL H H 56 8.014 8.014 7.837 0.177 25791 11017 1 28 . 1 1 57 57 GLN N N 57 120.513 120.513 120.020 0.493 25791 11018 1 28 . 1 1 57 57 GLN HA H 57 4.060 4.060 4.015 0.045 25791 11019 1 28 . 1 1 57 57 GLN C C 57 178.772 178.772 178.325 0.447 25791 11020 1 28 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.298 0.318 25791 11021 1 28 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.682 0.303 25791 11022 1 28 . 1 1 57 57 GLN H H 57 8.103 8.103 8.392 -0.289 25791 11023 1 28 . 1 1 58 58 LEU N N 58 121.244 121.244 121.484 -0.240 25791 11024 1 28 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.939 0.066 25791 11025 1 28 . 1 1 58 58 LEU C C 58 179.134 179.134 178.224 0.910 25791 11026 1 28 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.164 0.342 25791 11027 1 28 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.230 0.573 25791 11028 1 28 . 1 1 58 58 LEU H H 58 8.176 8.176 7.749 0.427 25791 11029 1 28 . 1 1 59 59 ALA N N 59 121.608 121.608 121.883 -0.275 25791 11030 1 28 . 1 1 59 59 ALA HA H 59 4.165 4.165 4.015 0.150 25791 11031 1 28 . 1 1 59 59 ALA C C 59 180.497 180.497 179.888 0.609 25791 11032 1 28 . 1 1 59 59 ALA CA C 59 54.582 54.582 54.971 -0.389 25791 11033 1 28 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.265 -0.212 25791 11034 1 28 . 1 1 59 59 ALA H H 59 7.833 7.833 8.132 -0.299 25791 11035 1 28 . 1 1 60 60 GLN N N 60 118.335 118.335 117.276 1.059 25791 11036 1 28 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.980 0.168 25791 11037 1 28 . 1 1 60 60 GLN C C 60 178.334 178.334 178.500 -0.166 25791 11038 1 28 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.700 -0.723 25791 11039 1 28 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.391 0.044 25791 11040 1 28 . 1 1 60 60 GLN H H 60 8.081 8.081 7.829 0.252 25791 11041 1 28 . 1 1 61 61 GLN N N 61 120.206 120.206 120.342 -0.136 25791 11042 1 28 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.971 0.191 25791 11043 1 28 . 1 1 61 61 GLN C C 61 178.002 178.002 178.507 -0.505 25791 11044 1 28 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.798 -0.893 25791 11045 1 28 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.573 0.007 25791 11046 1 28 . 1 1 61 61 GLN H H 61 8.111 8.111 8.009 0.102 25791 11047 1 28 . 1 1 62 62 GLN N N 62 118.980 118.980 118.840 0.140 25791 11048 1 28 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.021 0.108 25791 11049 1 28 . 1 1 62 62 GLN C C 62 177.624 177.624 178.278 -0.654 25791 11050 1 28 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.523 -0.887 25791 11051 1 28 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.645 -0.010 25791 11052 1 28 . 1 1 62 62 GLN H H 62 8.203 8.203 8.508 -0.305 25791 11053 1 28 . 1 1 63 63 ALA N N 63 122.712 122.712 122.157 0.555 25791 11054 1 28 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.117 0.089 25791 11055 1 28 . 1 1 63 63 ALA C C 63 178.922 178.922 178.895 0.027 25791 11056 1 28 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.564 -0.668 25791 11057 1 28 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.205 0.254 25791 11058 1 28 . 1 1 63 63 ALA H H 63 8.004 8.004 7.864 0.140 25791 11059 1 28 . 1 1 64 64 ALA N N 64 120.813 120.813 120.390 0.423 25791 11060 1 28 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.143 0.089 25791 11061 1 28 . 1 1 64 64 ALA C C 64 178.732 178.732 178.497 0.235 25791 11062 1 28 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.177 -0.661 25791 11063 1 28 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.129 -0.499 25791 11064 1 28 . 1 1 64 64 ALA H H 64 7.837 7.837 7.748 0.089 25791 11065 1 28 . 1 1 65 65 LEU N N 65 119.196 119.196 118.787 0.409 25791 11066 1 28 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.300 -0.043 25791 11067 1 28 . 1 1 65 65 LEU C C 65 178.038 178.038 177.708 0.330 25791 11068 1 28 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.160 -0.339 25791 11069 1 28 . 1 1 65 65 LEU CB C 65 42.264 42.264 41.742 0.522 25791 11070 1 28 . 1 1 65 65 LEU H H 65 7.765 7.765 7.228 0.537 25791 11071 1 28 . 1 1 66 66 GLN N N 66 119.365 119.365 115.647 3.718 25791 11072 1 28 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.959 0.316 25791 11073 1 28 . 1 1 66 66 GLN C C 66 176.120 176.120 175.006 1.114 25791 11074 1 28 . 1 1 66 66 GLN CA C 66 56.067 56.067 57.010 -0.943 25791 11075 1 28 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.541 2.591 25791 11076 1 28 . 1 1 66 66 GLN H H 66 7.967 7.967 8.182 -0.215 25791 11077 1 28 . 1 1 67 67 LYS N N 67 121.521 121.521 119.346 2.175 25791 11078 1 28 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.468 -0.159 25791 11079 1 28 . 1 1 67 67 LYS C C 67 176.437 176.437 175.998 0.439 25791 11080 1 28 . 1 1 67 67 LYS CA C 67 56.389 56.389 55.585 0.804 25791 11081 1 28 . 1 1 67 67 LYS CB C 67 33.041 33.041 32.675 0.366 25791 11082 1 28 . 1 1 67 67 LYS H H 67 8.053 8.053 8.082 -0.029 25791 11083 1 28 . 1 1 68 68 GLN N N 68 121.970 121.970 124.564 -2.594 25791 11084 1 28 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.352 -0.013 25791 11085 1 28 . 1 1 68 68 GLN C C 68 175.120 175.120 176.106 -0.986 25791 11086 1 28 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.725 0.275 25791 11087 1 28 . 1 1 68 68 GLN CB C 68 29.498 29.498 27.967 1.531 25791 11088 1 28 . 1 1 68 68 GLN H H 68 8.314 8.314 8.568 -0.254 25791 11089 1 29 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.412 0.035 25791 11090 1 29 . 1 1 2 2 GLN C C 2 176.144 176.144 177.459 -1.315 25791 11091 1 29 . 1 1 2 2 GLN CA C 2 56.209 56.209 55.734 0.475 25791 11092 1 29 . 1 1 2 2 GLN CB C 2 29.459 29.459 29.410 0.049 25791 11093 1 29 . 1 1 3 3 GLN N N 3 122.052 122.052 124.439 -2.387 25791 11094 1 29 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.039 0.284 25791 11095 1 29 . 1 1 3 3 GLN C C 3 176.988 176.988 176.824 0.164 25791 11096 1 29 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.511 -1.108 25791 11097 1 29 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.047 1.192 25791 11098 1 29 . 1 1 3 3 GLN H H 3 8.780 8.780 8.891 -0.111 25791 11099 1 29 . 1 1 4 4 LYS N N 4 121.855 121.855 120.656 1.199 25791 11100 1 29 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.017 -0.013 25791 11101 1 29 . 1 1 4 4 LYS C C 4 177.638 177.638 178.366 -0.728 25791 11102 1 29 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.092 1.147 25791 11103 1 29 . 1 1 4 4 LYS CB C 4 32.699 32.699 31.796 0.903 25791 11104 1 29 . 1 1 4 4 LYS H H 4 8.528 8.528 8.179 0.349 25791 11105 1 29 . 1 1 5 5 GLN N N 5 116.397 116.397 117.643 -1.246 25791 11106 1 29 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.925 0.016 25791 11107 1 29 . 1 1 5 5 GLN C C 5 178.761 178.761 178.446 0.315 25791 11108 1 29 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.957 0.392 25791 11109 1 29 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.176 -0.226 25791 11110 1 29 . 1 1 5 5 GLN H H 5 8.223 8.223 8.136 0.087 25791 11111 1 29 . 1 1 6 6 GLN N N 6 119.262 119.262 118.274 0.988 25791 11112 1 29 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.131 -0.003 25791 11113 1 29 . 1 1 6 6 GLN C C 6 179.018 179.018 178.402 0.616 25791 11114 1 29 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.444 0.645 25791 11115 1 29 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.123 0.587 25791 11116 1 29 . 1 1 6 6 GLN H H 6 7.848 7.848 7.701 0.147 25791 11117 1 29 . 1 1 7 7 ILE N N 7 121.296 121.296 121.593 -0.297 25791 11118 1 29 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.841 -0.258 25791 11119 1 29 . 1 1 7 7 ILE C C 7 177.833 177.833 178.075 -0.242 25791 11120 1 29 . 1 1 7 7 ILE CA C 7 65.129 65.129 63.150 1.980 25791 11121 1 29 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.160 1.046 25791 11122 1 29 . 1 1 7 7 ILE H H 7 8.095 8.095 7.305 0.790 25791 11123 1 29 . 1 1 8 8 MET N N 8 117.603 117.603 118.773 -1.170 25791 11124 1 29 . 1 1 8 8 MET HA H 8 3.985 3.985 4.021 -0.036 25791 11125 1 29 . 1 1 8 8 MET C C 8 177.355 177.355 178.862 -1.507 25791 11126 1 29 . 1 1 8 8 MET CA C 8 59.932 59.932 59.660 0.272 25791 11127 1 29 . 1 1 8 8 MET CB C 8 32.721 32.721 31.946 0.775 25791 11128 1 29 . 1 1 8 8 MET H H 8 8.672 8.672 8.379 0.293 25791 11129 1 29 . 1 1 9 9 ALA N N 9 118.774 118.774 121.595 -2.821 25791 11130 1 29 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.020 0.026 25791 11131 1 29 . 1 1 9 9 ALA C C 9 180.546 180.546 179.174 1.372 25791 11132 1 29 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.182 0.202 25791 11133 1 29 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.933 -0.035 25791 11134 1 29 . 1 1 9 9 ALA H H 9 7.795 7.795 7.833 -0.038 25791 11135 1 29 . 1 1 10 10 ALA N N 10 120.854 120.854 121.572 -0.718 25791 11136 1 29 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.068 0.137 25791 11137 1 29 . 1 1 10 10 ALA C C 10 181.200 181.200 179.419 1.781 25791 11138 1 29 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.646 0.366 25791 11139 1 29 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.537 0.724 25791 11140 1 29 . 1 1 10 10 ALA H H 10 7.438 7.438 7.608 -0.170 25791 11141 1 29 . 1 1 11 11 LEU N N 11 120.775 120.775 119.146 1.629 25791 11142 1 29 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.842 -0.094 25791 11143 1 29 . 1 1 11 11 LEU C C 11 179.041 179.041 179.323 -0.282 25791 11144 1 29 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.846 0.500 25791 11145 1 29 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.219 -1.242 25791 11146 1 29 . 1 1 11 11 LEU H H 11 8.757 8.757 8.615 0.142 25791 11147 1 29 . 1 1 12 12 ASN N N 12 116.313 116.313 117.793 -1.480 25791 11148 1 29 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.511 0.053 25791 11149 1 29 . 1 1 12 12 ASN C C 12 178.900 178.900 177.136 1.764 25791 11150 1 29 . 1 1 12 12 ASN CA C 12 54.065 54.065 56.417 -2.352 25791 11151 1 29 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.560 -1.567 25791 11152 1 29 . 1 1 12 12 ASN H H 12 8.850 8.850 8.454 0.396 25791 11153 1 29 . 1 1 13 13 SER N N 13 114.747 114.747 114.809 -0.062 25791 11154 1 29 . 1 1 13 13 SER HA H 13 4.370 4.370 4.240 0.130 25791 11155 1 29 . 1 1 13 13 SER C C 13 176.515 176.515 176.720 -0.205 25791 11156 1 29 . 1 1 13 13 SER CA C 13 61.141 61.141 61.700 -0.559 25791 11157 1 29 . 1 1 13 13 SER CB C 13 63.044 63.044 63.340 -0.296 25791 11158 1 29 . 1 1 13 13 SER H H 13 7.672 7.672 7.666 0.006 25791 11159 1 29 . 1 1 14 14 GLN N N 14 119.954 119.954 119.352 0.602 25791 11160 1 29 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.194 0.024 25791 11161 1 29 . 1 1 14 14 GLN C C 14 178.208 178.208 177.136 1.072 25791 11162 1 29 . 1 1 14 14 GLN CA C 14 57.749 57.749 58.115 -0.366 25791 11163 1 29 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.849 -0.149 25791 11164 1 29 . 1 1 14 14 GLN H H 14 7.573 7.573 7.872 -0.299 25791 11165 1 29 . 1 1 15 15 THR N N 15 107.493 107.493 107.293 0.200 25791 11166 1 29 . 1 1 15 15 THR HA H 15 3.899 3.899 4.438 -0.539 25791 11167 1 29 . 1 1 15 15 THR C C 15 174.683 174.683 174.938 -0.255 25791 11168 1 29 . 1 1 15 15 THR CA C 15 61.551 61.551 59.981 1.570 25791 11169 1 29 . 1 1 15 15 THR CB C 15 69.226 69.226 69.413 -0.187 25791 11170 1 29 . 1 1 15 15 THR H H 15 7.741 7.741 7.621 0.120 25791 11171 1 29 . 1 1 16 16 ALA N N 16 124.034 124.034 126.168 -2.134 25791 11172 1 29 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.002 0.133 25791 11173 1 29 . 1 1 16 16 ALA C C 16 179.899 179.899 178.445 1.454 25791 11174 1 29 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.621 0.586 25791 11175 1 29 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.182 0.542 25791 11176 1 29 . 1 1 16 16 ALA H H 16 6.873 6.873 7.263 -0.390 25791 11177 1 29 . 1 1 17 17 VAL N N 17 117.150 117.150 118.165 -1.015 25791 11178 1 29 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.704 0.010 25791 11179 1 29 . 1 1 17 17 VAL C C 17 178.537 178.537 177.330 1.207 25791 11180 1 29 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.201 1.307 25791 11181 1 29 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.595 0.098 25791 11182 1 29 . 1 1 17 17 VAL H H 17 8.162 8.162 8.342 -0.180 25791 11183 1 29 . 1 1 18 18 GLN N N 18 119.489 119.489 119.822 -0.333 25791 11184 1 29 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.011 0.046 25791 11185 1 29 . 1 1 18 18 GLN C C 18 180.429 180.429 179.015 1.414 25791 11186 1 29 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.181 0.518 25791 11187 1 29 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.434 0.752 25791 11188 1 29 . 1 1 18 18 GLN H H 18 8.451 8.451 8.111 0.340 25791 11189 1 29 . 1 1 19 19 PHE N N 19 117.940 117.940 118.379 -0.439 25791 11190 1 29 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.542 0.288 25791 11191 1 29 . 1 1 19 19 PHE C C 19 177.858 177.858 178.193 -0.335 25791 11192 1 29 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.165 -1.136 25791 11193 1 29 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.265 -2.360 25791 11194 1 29 . 1 1 19 19 PHE H H 19 8.924 8.924 8.654 0.270 25791 11195 1 29 . 1 1 20 20 GLN N N 20 120.297 120.297 119.827 0.470 25791 11196 1 29 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.998 0.108 25791 11197 1 29 . 1 1 20 20 GLN C C 20 178.986 178.986 178.588 0.398 25791 11198 1 29 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.721 -0.158 25791 11199 1 29 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.570 -0.675 25791 11200 1 29 . 1 1 20 20 GLN H H 20 8.264 8.264 8.035 0.229 25791 11201 1 29 . 1 1 21 21 GLN N N 21 118.595 118.595 118.841 -0.246 25791 11202 1 29 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.096 -0.014 25791 11203 1 29 . 1 1 21 21 GLN C C 21 178.806 178.806 178.621 0.185 25791 11204 1 29 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.849 0.321 25791 11205 1 29 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.601 -0.405 25791 11206 1 29 . 1 1 21 21 GLN H H 21 8.527 8.527 8.506 0.021 25791 11207 1 29 . 1 1 22 22 TYR N N 22 119.594 119.594 120.963 -1.369 25791 11208 1 29 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.140 0.107 25791 11209 1 29 . 1 1 22 22 TYR C C 22 177.789 177.789 176.957 0.832 25791 11210 1 29 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.492 1.220 25791 11211 1 29 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.176 0.548 25791 11212 1 29 . 1 1 22 22 TYR H H 22 7.843 7.843 7.859 -0.016 25791 11213 1 29 . 1 1 23 23 ALA N N 23 120.663 120.663 121.545 -0.882 25791 11214 1 29 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.702 0.155 25791 11215 1 29 . 1 1 23 23 ALA C C 23 179.319 179.319 178.706 0.613 25791 11216 1 29 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.959 0.630 25791 11217 1 29 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.180 0.302 25791 11218 1 29 . 1 1 23 23 ALA H H 23 8.612 8.612 8.554 0.058 25791 11219 1 29 . 1 1 24 24 ALA N N 24 119.002 119.002 119.854 -0.852 25791 11220 1 29 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.098 -0.160 25791 11221 1 29 . 1 1 24 24 ALA C C 24 178.987 178.987 179.208 -0.221 25791 11222 1 29 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.335 -0.018 25791 11223 1 29 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.473 -0.582 25791 11224 1 29 . 1 1 24 24 ALA H H 24 8.168 8.168 8.366 -0.198 25791 11225 1 29 . 1 1 25 25 GLN N N 25 115.599 115.599 117.076 -1.477 25791 11226 1 29 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.049 -0.045 25791 11227 1 29 . 1 1 25 25 GLN C C 25 177.818 177.818 177.788 0.030 25791 11228 1 29 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.239 -0.785 25791 11229 1 29 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.656 -0.201 25791 11230 1 29 . 1 1 25 25 GLN H H 25 7.300 7.300 7.403 -0.103 25791 11231 1 29 . 1 1 26 26 GLN N N 26 116.989 116.989 116.906 0.083 25791 11232 1 29 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.838 -0.134 25791 11233 1 29 . 1 1 26 26 GLN C C 26 175.979 175.979 176.132 -0.153 25791 11234 1 29 . 1 1 26 26 GLN CA C 26 56.788 56.788 57.115 -0.327 25791 11235 1 29 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.321 -0.241 25791 11236 1 29 . 1 1 26 26 GLN H H 26 7.401 7.401 7.410 -0.009 25791 11237 1 29 . 1 1 27 27 TYR N N 27 114.712 114.712 116.954 -2.242 25791 11238 1 29 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.927 0.151 25791 11239 1 29 . 1 1 27 27 TYR C C 27 172.931 172.931 173.580 -0.649 25791 11240 1 29 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.519 0.648 25791 11241 1 29 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.410 1.250 25791 11242 1 29 . 1 1 27 27 TYR H H 27 7.675 7.675 7.959 -0.284 25791 11243 1 29 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.517 -0.155 25791 11244 1 29 . 1 1 28 28 PRO C C 28 179.333 179.333 178.001 1.332 25791 11245 1 29 . 1 1 28 28 PRO CA C 28 64.394 64.394 64.114 0.280 25791 11246 1 29 . 1 1 28 28 PRO CB C 28 31.254 31.254 31.962 -0.708 25791 11247 1 29 . 1 1 29 29 GLY N N 29 110.091 110.091 112.907 -2.816 25791 11248 1 29 . 1 1 29 29 GLY C C 29 173.218 173.218 174.611 -1.393 25791 11249 1 29 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.417 0.495 25791 11250 1 29 . 1 1 29 29 GLY H H 29 8.826 8.826 8.873 -0.047 25791 11251 1 29 . 1 1 30 30 ASN N N 30 118.603 118.603 122.073 -3.470 25791 11252 1 29 . 1 1 30 30 ASN HA H 30 4.999 4.999 5.002 -0.003 25791 11253 1 29 . 1 1 30 30 ASN C C 30 173.977 173.977 174.957 -0.980 25791 11254 1 29 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.945 -0.760 25791 11255 1 29 . 1 1 30 30 ASN CB C 30 38.426 38.426 37.768 0.658 25791 11256 1 29 . 1 1 30 30 ASN H H 30 7.293 7.293 7.798 -0.505 25791 11257 1 29 . 1 1 31 31 TYR N N 31 125.240 125.240 126.174 -0.934 25791 11258 1 29 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.032 -0.134 25791 11259 1 29 . 1 1 31 31 TYR C C 31 177.343 177.343 176.807 0.536 25791 11260 1 29 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.752 -0.941 25791 11261 1 29 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.812 -0.455 25791 11262 1 29 . 1 1 31 31 TYR H H 31 8.509 8.509 7.964 0.545 25791 11263 1 29 . 1 1 32 32 GLU N N 32 118.993 118.993 117.827 1.166 25791 11264 1 29 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.708 0.192 25791 11265 1 29 . 1 1 32 32 GLU C C 32 179.549 179.549 178.700 0.849 25791 11266 1 29 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.970 0.142 25791 11267 1 29 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.835 0.333 25791 11268 1 29 . 1 1 32 32 GLU H H 32 8.714 8.714 8.747 -0.033 25791 11269 1 29 . 1 1 33 33 GLN N N 33 117.037 117.037 117.861 -0.824 25791 11270 1 29 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.782 -0.049 25791 11271 1 29 . 1 1 33 33 GLN C C 33 179.119 179.119 178.529 0.590 25791 11272 1 29 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.394 -0.692 25791 11273 1 29 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.561 0.065 25791 11274 1 29 . 1 1 33 33 GLN H H 33 7.536 7.536 8.279 -0.743 25791 11275 1 29 . 1 1 34 34 GLN N N 34 117.723 117.723 119.508 -1.785 25791 11276 1 29 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.037 -0.226 25791 11277 1 29 . 1 1 34 34 GLN C C 34 177.634 177.634 178.516 -0.882 25791 11278 1 29 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.368 0.797 25791 11279 1 29 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.531 -1.030 25791 11280 1 29 . 1 1 34 34 GLN H H 34 7.968 7.968 8.337 -0.369 25791 11281 1 29 . 1 1 35 35 GLN N N 35 115.293 115.293 118.859 -3.566 25791 11282 1 29 . 1 1 35 35 GLN HA H 35 3.791 3.791 3.961 -0.170 25791 11283 1 29 . 1 1 35 35 GLN C C 35 178.757 178.757 178.593 0.164 25791 11284 1 29 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.399 0.211 25791 11285 1 29 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.140 0.065 25791 11286 1 29 . 1 1 35 35 GLN H H 35 7.870 7.870 7.836 0.034 25791 11287 1 29 . 1 1 36 36 ILE N N 36 120.769 120.769 120.481 0.288 25791 11288 1 29 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.624 -0.060 25791 11289 1 29 . 1 1 36 36 ILE C C 36 178.273 178.273 178.114 0.159 25791 11290 1 29 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.198 0.038 25791 11291 1 29 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.646 0.727 25791 11292 1 29 . 1 1 36 36 ILE H H 36 7.503 7.503 7.979 -0.476 25791 11293 1 29 . 1 1 37 37 LEU N N 37 121.056 121.056 121.335 -0.279 25791 11294 1 29 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.094 0.215 25791 11295 1 29 . 1 1 37 37 LEU C C 37 178.348 178.348 178.343 0.005 25791 11296 1 29 . 1 1 37 37 LEU CA C 37 57.734 57.734 58.145 -0.411 25791 11297 1 29 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.933 -0.417 25791 11298 1 29 . 1 1 37 37 LEU H H 37 7.678 7.678 7.703 -0.025 25791 11299 1 29 . 1 1 38 38 ILE N N 38 119.334 119.334 119.570 -0.236 25791 11300 1 29 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.484 -0.143 25791 11301 1 29 . 1 1 38 38 ILE C C 38 177.371 177.371 177.970 -0.599 25791 11302 1 29 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.724 1.361 25791 11303 1 29 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.568 0.781 25791 11304 1 29 . 1 1 38 38 ILE H H 38 8.702 8.702 8.358 0.344 25791 11305 1 29 . 1 1 39 39 ARG N N 39 117.798 117.798 119.455 -1.657 25791 11306 1 29 . 1 1 39 39 ARG HA H 39 4.215 4.215 3.908 0.307 25791 11307 1 29 . 1 1 39 39 ARG C C 39 179.555 179.555 178.973 0.582 25791 11308 1 29 . 1 1 39 39 ARG CA C 39 59.459 59.459 60.214 -0.755 25791 11309 1 29 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.802 -0.050 25791 11310 1 29 . 1 1 39 39 ARG H H 39 7.739 7.739 8.377 -0.638 25791 11311 1 29 . 1 1 40 40 GLN N N 40 119.432 119.432 118.781 0.651 25791 11312 1 29 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.035 0.102 25791 11313 1 29 . 1 1 40 40 GLN C C 40 179.522 179.522 178.499 1.023 25791 11314 1 29 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.982 0.278 25791 11315 1 29 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.681 -0.323 25791 11316 1 29 . 1 1 40 40 GLN H H 40 7.811 7.811 7.631 0.180 25791 11317 1 29 . 1 1 41 41 LEU N N 41 121.592 121.592 120.941 0.651 25791 11318 1 29 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.825 -0.138 25791 11319 1 29 . 1 1 41 41 LEU C C 41 178.974 178.974 179.154 -0.180 25791 11320 1 29 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.962 0.001 25791 11321 1 29 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.833 -0.980 25791 11322 1 29 . 1 1 41 41 LEU H H 41 8.648 8.648 8.368 0.280 25791 11323 1 29 . 1 1 42 42 GLN N N 42 119.054 119.054 118.330 0.724 25791 11324 1 29 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.419 0.125 25791 11325 1 29 . 1 1 42 42 GLN C C 42 180.176 180.176 179.016 1.160 25791 11326 1 29 . 1 1 42 42 GLN CA C 42 59.234 59.234 58.592 0.642 25791 11327 1 29 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.244 -0.324 25791 11328 1 29 . 1 1 42 42 GLN H H 42 8.641 8.641 8.650 -0.009 25791 11329 1 29 . 1 1 43 43 GLU N N 43 121.517 121.517 121.952 -0.435 25791 11330 1 29 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.073 0.163 25791 11331 1 29 . 1 1 43 43 GLU C C 43 179.721 179.721 178.957 0.764 25791 11332 1 29 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.809 -0.142 25791 11333 1 29 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.411 -0.153 25791 11334 1 29 . 1 1 43 43 GLU H H 43 8.111 8.111 7.823 0.288 25791 11335 1 29 . 1 1 44 44 GLN N N 44 119.240 119.240 118.682 0.558 25791 11336 1 29 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.262 -0.146 25791 11337 1 29 . 1 1 44 44 GLN C C 44 179.012 179.012 178.479 0.533 25791 11338 1 29 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.916 0.233 25791 11339 1 29 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.907 -0.053 25791 11340 1 29 . 1 1 44 44 GLN H H 44 8.372 8.372 8.117 0.255 25791 11341 1 29 . 1 1 45 45 HIS N N 45 121.705 121.705 120.853 0.852 25791 11342 1 29 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.280 -0.000 25791 11343 1 29 . 1 1 45 45 HIS C C 45 176.395 176.395 177.194 -0.799 25791 11344 1 29 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.251 1.108 25791 11345 1 29 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.597 1.728 25791 11346 1 29 . 1 1 45 45 HIS H H 45 9.472 9.472 8.506 0.966 25791 11347 1 29 . 1 1 46 46 TYR N N 46 119.039 119.039 120.239 -1.200 25791 11348 1 29 . 1 1 46 46 TYR HA H 46 3.849 3.849 3.987 -0.138 25791 11349 1 29 . 1 1 46 46 TYR C C 46 176.664 176.664 178.005 -1.341 25791 11350 1 29 . 1 1 46 46 TYR CA C 46 62.251 62.251 62.044 0.207 25791 11351 1 29 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.350 -0.678 25791 11352 1 29 . 1 1 46 46 TYR H H 46 8.253 8.253 8.587 -0.334 25791 11353 1 29 . 1 1 47 47 GLN N N 47 116.407 116.407 117.886 -1.479 25791 11354 1 29 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.744 0.040 25791 11355 1 29 . 1 1 47 47 GLN C C 47 179.048 179.048 178.384 0.664 25791 11356 1 29 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.252 -0.303 25791 11357 1 29 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.503 -0.322 25791 11358 1 29 . 1 1 47 47 GLN H H 47 7.814 7.814 8.494 -0.680 25791 11359 1 29 . 1 1 48 48 GLN N N 48 119.803 119.803 119.701 0.102 25791 11360 1 29 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.075 -0.098 25791 11361 1 29 . 1 1 48 48 GLN C C 48 177.741 177.741 178.133 -0.392 25791 11362 1 29 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.467 -0.153 25791 11363 1 29 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.439 -0.111 25791 11364 1 29 . 1 1 48 48 GLN H H 48 8.645 8.645 8.468 0.177 25791 11365 1 29 . 1 1 49 49 TYR N N 49 121.342 121.342 121.891 -0.549 25791 11366 1 29 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.104 -0.464 25791 11367 1 29 . 1 1 49 49 TYR C C 49 176.021 176.021 177.548 -1.527 25791 11368 1 29 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.586 0.523 25791 11369 1 29 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.215 0.692 25791 11370 1 29 . 1 1 49 49 TYR H H 49 9.105 9.105 8.657 0.448 25791 11371 1 29 . 1 1 50 50 MET N N 50 115.522 115.522 118.515 -2.993 25791 11372 1 29 . 1 1 50 50 MET HA H 50 4.040 4.040 3.664 0.376 25791 11373 1 29 . 1 1 50 50 MET C C 50 179.841 179.841 178.184 1.657 25791 11374 1 29 . 1 1 50 50 MET CA C 50 56.623 56.623 56.782 -0.159 25791 11375 1 29 . 1 1 50 50 MET CB C 50 30.099 30.099 31.520 -1.421 25791 11376 1 29 . 1 1 50 50 MET H H 50 8.060 8.060 8.274 -0.214 25791 11377 1 29 . 1 1 51 51 GLN N N 51 118.942 118.942 118.556 0.386 25791 11378 1 29 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.875 0.190 25791 11379 1 29 . 1 1 51 51 GLN C C 51 178.707 178.707 178.473 0.234 25791 11380 1 29 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.466 -0.525 25791 11381 1 29 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.448 0.041 25791 11382 1 29 . 1 1 51 51 GLN H H 51 7.830 7.830 7.883 -0.053 25791 11383 1 29 . 1 1 52 52 GLN N N 52 119.210 119.210 119.748 -0.538 25791 11384 1 29 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.102 -0.045 25791 11385 1 29 . 1 1 52 52 GLN C C 52 178.738 178.738 178.495 0.243 25791 11386 1 29 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.091 0.658 25791 11387 1 29 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.419 -0.016 25791 11388 1 29 . 1 1 52 52 GLN H H 52 8.187 8.187 8.058 0.129 25791 11389 1 29 . 1 1 53 53 LEU N N 53 121.233 121.233 121.538 -0.305 25791 11390 1 29 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.843 -0.002 25791 11391 1 29 . 1 1 53 53 LEU C C 53 179.191 179.191 177.972 1.219 25791 11392 1 29 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.793 -0.048 25791 11393 1 29 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.236 0.630 25791 11394 1 29 . 1 1 53 53 LEU H H 53 8.441 8.441 8.254 0.187 25791 11395 1 29 . 1 1 54 54 TYR N N 54 118.505 118.505 119.290 -0.785 25791 11396 1 29 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.905 0.413 25791 11397 1 29 . 1 1 54 54 TYR C C 54 177.535 177.535 177.441 0.094 25791 11398 1 29 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.378 -1.901 25791 11399 1 29 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.378 -0.592 25791 11400 1 29 . 1 1 54 54 TYR H H 54 7.819 7.819 8.244 -0.425 25791 11401 1 29 . 1 1 55 55 GLN N N 55 117.299 117.299 117.641 -0.342 25791 11402 1 29 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.067 -0.168 25791 11403 1 29 . 1 1 55 55 GLN C C 55 179.041 179.041 178.363 0.678 25791 11404 1 29 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.932 -0.223 25791 11405 1 29 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.522 -0.307 25791 11406 1 29 . 1 1 55 55 GLN H H 55 7.735 7.735 7.697 0.038 25791 11407 1 29 . 1 1 56 56 VAL N N 56 120.879 120.879 120.507 0.372 25791 11408 1 29 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.549 0.243 25791 11409 1 29 . 1 1 56 56 VAL C C 56 178.262 178.262 177.734 0.528 25791 11410 1 29 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.527 -0.585 25791 11411 1 29 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.688 0.191 25791 11412 1 29 . 1 1 56 56 VAL H H 56 8.014 8.014 7.623 0.391 25791 11413 1 29 . 1 1 57 57 GLN N N 57 120.513 120.513 119.475 1.038 25791 11414 1 29 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.948 0.112 25791 11415 1 29 . 1 1 57 57 GLN C C 57 178.772 178.772 178.261 0.511 25791 11416 1 29 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.559 0.058 25791 11417 1 29 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.862 0.123 25791 11418 1 29 . 1 1 57 57 GLN H H 57 8.103 8.103 8.187 -0.084 25791 11419 1 29 . 1 1 58 58 LEU N N 58 121.244 121.244 121.315 -0.071 25791 11420 1 29 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.909 0.096 25791 11421 1 29 . 1 1 58 58 LEU C C 58 179.134 179.134 178.217 0.917 25791 11422 1 29 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.367 0.139 25791 11423 1 29 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.277 0.526 25791 11424 1 29 . 1 1 58 58 LEU H H 58 8.176 8.176 7.794 0.382 25791 11425 1 29 . 1 1 59 59 ALA N N 59 121.608 121.608 121.156 0.452 25791 11426 1 29 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.913 0.252 25791 11427 1 29 . 1 1 59 59 ALA C C 59 180.497 180.497 179.887 0.610 25791 11428 1 29 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.292 -0.710 25791 11429 1 29 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.052 0.001 25791 11430 1 29 . 1 1 59 59 ALA H H 59 7.833 7.833 7.951 -0.118 25791 11431 1 29 . 1 1 60 60 GLN N N 60 118.335 118.335 117.593 0.742 25791 11432 1 29 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.948 0.200 25791 11433 1 29 . 1 1 60 60 GLN C C 60 178.334 178.334 178.911 -0.577 25791 11434 1 29 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.730 -0.753 25791 11435 1 29 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.196 0.239 25791 11436 1 29 . 1 1 60 60 GLN H H 60 8.081 8.081 8.015 0.066 25791 11437 1 29 . 1 1 61 61 GLN N N 61 120.206 120.206 119.715 0.491 25791 11438 1 29 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.975 0.187 25791 11439 1 29 . 1 1 61 61 GLN C C 61 178.002 178.002 178.638 -0.636 25791 11440 1 29 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.992 -1.087 25791 11441 1 29 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.578 0.001 25791 11442 1 29 . 1 1 61 61 GLN H H 61 8.111 8.111 7.945 0.166 25791 11443 1 29 . 1 1 62 62 GLN N N 62 118.980 118.980 118.901 0.079 25791 11444 1 29 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.034 0.095 25791 11445 1 29 . 1 1 62 62 GLN C C 62 177.624 177.624 178.368 -0.744 25791 11446 1 29 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.844 -1.208 25791 11447 1 29 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.546 0.090 25791 11448 1 29 . 1 1 62 62 GLN H H 62 8.203 8.203 8.504 -0.301 25791 11449 1 29 . 1 1 63 63 ALA N N 63 122.712 122.712 121.991 0.721 25791 11450 1 29 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.123 0.083 25791 11451 1 29 . 1 1 63 63 ALA C C 63 178.922 178.922 178.798 0.124 25791 11452 1 29 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.511 -0.615 25791 11453 1 29 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.236 0.223 25791 11454 1 29 . 1 1 63 63 ALA H H 63 8.004 8.004 7.966 0.038 25791 11455 1 29 . 1 1 64 64 ALA N N 64 120.813 120.813 120.924 -0.111 25791 11456 1 29 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.139 0.093 25791 11457 1 29 . 1 1 64 64 ALA C C 64 178.732 178.732 179.099 -0.367 25791 11458 1 29 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.053 -0.537 25791 11459 1 29 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.176 -0.546 25791 11460 1 29 . 1 1 64 64 ALA H H 64 7.837 7.837 7.616 0.221 25791 11461 1 29 . 1 1 65 65 LEU N N 65 119.196 119.196 118.574 0.622 25791 11462 1 29 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.216 0.041 25791 11463 1 29 . 1 1 65 65 LEU C C 65 178.038 178.038 177.744 0.294 25791 11464 1 29 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.539 -0.717 25791 11465 1 29 . 1 1 65 65 LEU CB C 65 42.264 42.264 41.876 0.389 25791 11466 1 29 . 1 1 65 65 LEU H H 65 7.765 7.765 8.054 -0.289 25791 11467 1 29 . 1 1 66 66 GLN N N 66 119.365 119.365 114.056 5.309 25791 11468 1 29 . 1 1 66 66 GLN HA H 66 4.275 4.275 4.001 0.274 25791 11469 1 29 . 1 1 66 66 GLN C C 66 176.120 176.120 175.987 0.133 25791 11470 1 29 . 1 1 66 66 GLN CA C 66 56.067 56.067 57.004 -0.937 25791 11471 1 29 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.351 2.781 25791 11472 1 29 . 1 1 66 66 GLN H H 66 7.967 7.967 7.945 0.022 25791 11473 1 29 . 1 1 67 67 LYS N N 67 121.521 121.521 118.628 2.893 25791 11474 1 29 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.362 -0.053 25791 11475 1 29 . 1 1 67 67 LYS C C 67 176.437 176.437 176.036 0.401 25791 11476 1 29 . 1 1 67 67 LYS CA C 67 56.389 56.389 55.964 0.425 25791 11477 1 29 . 1 1 67 67 LYS CB C 67 33.041 33.041 32.890 0.151 25791 11478 1 29 . 1 1 67 67 LYS H H 67 8.053 8.053 7.916 0.137 25791 11479 1 29 . 1 1 68 68 GLN N N 68 121.970 121.970 118.076 3.894 25791 11480 1 29 . 1 1 68 68 GLN HA H 68 4.339 4.339 3.879 0.460 25791 11481 1 29 . 1 1 68 68 GLN C C 68 175.120 175.120 174.578 0.542 25791 11482 1 29 . 1 1 68 68 GLN CA C 68 56.000 56.000 57.126 -1.126 25791 11483 1 29 . 1 1 68 68 GLN CB C 68 29.498 29.498 27.070 2.428 25791 11484 1 29 . 1 1 68 68 GLN H H 68 8.314 8.314 8.363 -0.049 25791 11485 1 30 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.262 0.185 25791 11486 1 30 . 1 1 2 2 GLN C C 2 176.144 176.144 177.069 -0.925 25791 11487 1 30 . 1 1 2 2 GLN CA C 2 56.209 56.209 58.346 -2.137 25791 11488 1 30 . 1 1 2 2 GLN CB C 2 29.459 29.459 28.056 1.403 25791 11489 1 30 . 1 1 3 3 GLN N N 3 122.052 122.052 117.763 4.289 25791 11490 1 30 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.035 0.288 25791 11491 1 30 . 1 1 3 3 GLN C C 3 176.988 176.988 178.299 -1.311 25791 11492 1 30 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.766 -1.363 25791 11493 1 30 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.177 1.062 25791 11494 1 30 . 1 1 3 3 GLN H H 3 8.780 8.780 8.778 0.002 25791 11495 1 30 . 1 1 4 4 LYS N N 4 121.855 121.855 119.613 2.242 25791 11496 1 30 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.110 -0.106 25791 11497 1 30 . 1 1 4 4 LYS C C 4 177.638 177.638 178.533 -0.895 25791 11498 1 30 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.016 1.223 25791 11499 1 30 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.255 0.444 25791 11500 1 30 . 1 1 4 4 LYS H H 4 8.528 8.528 7.595 0.933 25791 11501 1 30 . 1 1 5 5 GLN N N 5 116.397 116.397 118.577 -2.180 25791 11502 1 30 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.924 0.017 25791 11503 1 30 . 1 1 5 5 GLN C C 5 178.761 178.761 178.562 0.199 25791 11504 1 30 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.949 0.400 25791 11505 1 30 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.341 -0.391 25791 11506 1 30 . 1 1 5 5 GLN H H 5 8.223 8.223 7.685 0.538 25791 11507 1 30 . 1 1 6 6 GLN N N 6 119.262 119.262 118.334 0.928 25791 11508 1 30 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.097 0.031 25791 11509 1 30 . 1 1 6 6 GLN C C 6 179.018 179.018 178.417 0.601 25791 11510 1 30 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.858 0.231 25791 11511 1 30 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.099 0.611 25791 11512 1 30 . 1 1 6 6 GLN H H 6 7.848 7.848 7.947 -0.099 25791 11513 1 30 . 1 1 7 7 ILE N N 7 121.296 121.296 121.616 -0.320 25791 11514 1 30 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.852 -0.269 25791 11515 1 30 . 1 1 7 7 ILE C C 7 177.833 177.833 178.165 -0.332 25791 11516 1 30 . 1 1 7 7 ILE CA C 7 65.129 65.129 62.997 2.132 25791 11517 1 30 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.089 1.117 25791 11518 1 30 . 1 1 7 7 ILE H H 7 8.095 8.095 7.249 0.846 25791 11519 1 30 . 1 1 8 8 MET N N 8 117.603 117.603 118.990 -1.387 25791 11520 1 30 . 1 1 8 8 MET HA H 8 3.985 3.985 4.065 -0.080 25791 11521 1 30 . 1 1 8 8 MET C C 8 177.355 177.355 178.555 -1.200 25791 11522 1 30 . 1 1 8 8 MET CA C 8 59.932 59.932 59.577 0.355 25791 11523 1 30 . 1 1 8 8 MET CB C 8 32.721 32.721 32.029 0.692 25791 11524 1 30 . 1 1 8 8 MET H H 8 8.672 8.672 8.316 0.356 25791 11525 1 30 . 1 1 9 9 ALA N N 9 118.774 118.774 121.618 -2.844 25791 11526 1 30 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.015 0.031 25791 11527 1 30 . 1 1 9 9 ALA C C 9 180.546 180.546 179.245 1.301 25791 11528 1 30 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.272 0.113 25791 11529 1 30 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.892 0.006 25791 11530 1 30 . 1 1 9 9 ALA H H 9 7.795 7.795 8.475 -0.680 25791 11531 1 30 . 1 1 10 10 ALA N N 10 120.854 120.854 121.662 -0.808 25791 11532 1 30 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.045 0.160 25791 11533 1 30 . 1 1 10 10 ALA C C 10 181.200 181.200 179.442 1.758 25791 11534 1 30 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.731 0.281 25791 11535 1 30 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.438 0.823 25791 11536 1 30 . 1 1 10 10 ALA H H 10 7.438 7.438 7.605 -0.167 25791 11537 1 30 . 1 1 11 11 LEU N N 11 120.775 120.775 118.772 2.003 25791 11538 1 30 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.744 0.004 25791 11539 1 30 . 1 1 11 11 LEU C C 11 179.041 179.041 179.244 -0.203 25791 11540 1 30 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.865 0.481 25791 11541 1 30 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.153 -1.176 25791 11542 1 30 . 1 1 11 11 LEU H H 11 8.757 8.757 8.679 0.078 25791 11543 1 30 . 1 1 12 12 ASN N N 12 116.313 116.313 118.153 -1.840 25791 11544 1 30 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.663 -0.099 25791 11545 1 30 . 1 1 12 12 ASN C C 12 178.900 178.900 177.859 1.041 25791 11546 1 30 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.761 -1.696 25791 11547 1 30 . 1 1 12 12 ASN CB C 12 36.993 36.993 37.913 -0.920 25791 11548 1 30 . 1 1 12 12 ASN H H 12 8.850 8.850 8.623 0.227 25791 11549 1 30 . 1 1 13 13 SER N N 13 114.747 114.747 116.159 -1.412 25791 11550 1 30 . 1 1 13 13 SER HA H 13 4.370 4.370 4.187 0.183 25791 11551 1 30 . 1 1 13 13 SER C C 13 176.515 176.515 176.747 -0.232 25791 11552 1 30 . 1 1 13 13 SER CA C 13 61.141 61.141 61.966 -0.825 25791 11553 1 30 . 1 1 13 13 SER CB C 13 63.044 63.044 63.184 -0.140 25791 11554 1 30 . 1 1 13 13 SER H H 13 7.672 7.672 8.013 -0.341 25791 11555 1 30 . 1 1 14 14 GLN N N 14 119.954 119.954 117.456 2.498 25791 11556 1 30 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.188 0.030 25791 11557 1 30 . 1 1 14 14 GLN C C 14 178.208 178.208 176.768 1.440 25791 11558 1 30 . 1 1 14 14 GLN CA C 14 57.749 57.749 57.909 -0.160 25791 11559 1 30 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.518 0.182 25791 11560 1 30 . 1 1 14 14 GLN H H 14 7.573 7.573 7.831 -0.258 25791 11561 1 30 . 1 1 15 15 THR N N 15 107.493 107.493 106.723 0.770 25791 11562 1 30 . 1 1 15 15 THR HA H 15 3.899 3.899 4.468 -0.569 25791 11563 1 30 . 1 1 15 15 THR C C 15 174.683 174.683 174.676 0.007 25791 11564 1 30 . 1 1 15 15 THR CA C 15 61.551 61.551 59.938 1.613 25791 11565 1 30 . 1 1 15 15 THR CB C 15 69.226 69.226 69.934 -0.708 25791 11566 1 30 . 1 1 15 15 THR H H 15 7.741 7.741 7.306 0.435 25791 11567 1 30 . 1 1 16 16 ALA N N 16 124.034 124.034 125.654 -1.620 25791 11568 1 30 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.046 0.089 25791 11569 1 30 . 1 1 16 16 ALA C C 16 179.899 179.899 178.655 1.244 25791 11570 1 30 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.535 0.672 25791 11571 1 30 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.049 0.676 25791 11572 1 30 . 1 1 16 16 ALA H H 16 6.873 6.873 7.474 -0.601 25791 11573 1 30 . 1 1 17 17 VAL N N 17 117.150 117.150 117.959 -0.809 25791 11574 1 30 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.702 0.012 25791 11575 1 30 . 1 1 17 17 VAL C C 17 178.537 178.537 177.113 1.424 25791 11576 1 30 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.301 1.207 25791 11577 1 30 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.578 0.115 25791 11578 1 30 . 1 1 17 17 VAL H H 17 8.162 8.162 8.370 -0.208 25791 11579 1 30 . 1 1 18 18 GLN N N 18 119.489 119.489 119.653 -0.164 25791 11580 1 30 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.232 -0.175 25791 11581 1 30 . 1 1 18 18 GLN C C 18 180.429 180.429 178.915 1.514 25791 11582 1 30 . 1 1 18 18 GLN CA C 18 59.699 59.699 58.895 0.804 25791 11583 1 30 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.554 0.632 25791 11584 1 30 . 1 1 18 18 GLN H H 18 8.451 8.451 7.987 0.464 25791 11585 1 30 . 1 1 19 19 PHE N N 19 117.940 117.940 118.903 -0.963 25791 11586 1 30 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.409 0.421 25791 11587 1 30 . 1 1 19 19 PHE C C 19 177.858 177.858 178.338 -0.480 25791 11588 1 30 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.930 -1.901 25791 11589 1 30 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.116 -2.211 25791 11590 1 30 . 1 1 19 19 PHE H H 19 8.924 8.924 8.741 0.183 25791 11591 1 30 . 1 1 20 20 GLN N N 20 120.297 120.297 119.427 0.870 25791 11592 1 30 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.980 0.126 25791 11593 1 30 . 1 1 20 20 GLN C C 20 178.986 178.986 178.652 0.334 25791 11594 1 30 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.673 -0.110 25791 11595 1 30 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.576 -0.681 25791 11596 1 30 . 1 1 20 20 GLN H H 20 8.264 8.264 8.108 0.156 25791 11597 1 30 . 1 1 21 21 GLN N N 21 118.595 118.595 119.498 -0.903 25791 11598 1 30 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.050 0.032 25791 11599 1 30 . 1 1 21 21 GLN C C 21 178.806 178.806 178.647 0.159 25791 11600 1 30 . 1 1 21 21 GLN CA C 21 59.170 59.170 59.112 0.058 25791 11601 1 30 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.836 -0.640 25791 11602 1 30 . 1 1 21 21 GLN H H 21 8.527 8.527 8.469 0.058 25791 11603 1 30 . 1 1 22 22 TYR N N 22 119.594 119.594 121.570 -1.976 25791 11604 1 30 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.327 -0.080 25791 11605 1 30 . 1 1 22 22 TYR C C 22 177.789 177.789 177.386 0.403 25791 11606 1 30 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.164 1.548 25791 11607 1 30 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.444 0.280 25791 11608 1 30 . 1 1 22 22 TYR H H 22 7.843 7.843 8.123 -0.280 25791 11609 1 30 . 1 1 23 23 ALA N N 23 120.663 120.663 121.453 -0.790 25791 11610 1 30 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.720 0.137 25791 11611 1 30 . 1 1 23 23 ALA C C 23 179.319 179.319 178.751 0.568 25791 11612 1 30 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.901 0.688 25791 11613 1 30 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.170 0.312 25791 11614 1 30 . 1 1 23 23 ALA H H 23 8.612 8.612 8.573 0.039 25791 11615 1 30 . 1 1 24 24 ALA N N 24 119.002 119.002 120.901 -1.899 25791 11616 1 30 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.091 -0.153 25791 11617 1 30 . 1 1 24 24 ALA C C 24 178.987 178.987 178.807 0.180 25791 11618 1 30 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.236 0.081 25791 11619 1 30 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.441 -0.549 25791 11620 1 30 . 1 1 24 24 ALA H H 24 8.168 8.168 8.194 -0.026 25791 11621 1 30 . 1 1 25 25 GLN N N 25 115.599 115.599 116.761 -1.162 25791 11622 1 30 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.043 -0.039 25791 11623 1 30 . 1 1 25 25 GLN C C 25 177.818 177.818 178.193 -0.375 25791 11624 1 30 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.157 -0.703 25791 11625 1 30 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.968 -0.513 25791 11626 1 30 . 1 1 25 25 GLN H H 25 7.300 7.300 7.620 -0.320 25791 11627 1 30 . 1 1 26 26 GLN N N 26 116.989 116.989 116.482 0.507 25791 11628 1 30 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.878 -0.174 25791 11629 1 30 . 1 1 26 26 GLN C C 26 175.979 175.979 175.889 0.090 25791 11630 1 30 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.804 -0.016 25791 11631 1 30 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.693 -0.613 25791 11632 1 30 . 1 1 26 26 GLN H H 26 7.401 7.401 7.390 0.011 25791 11633 1 30 . 1 1 27 27 TYR N N 27 114.712 114.712 118.044 -3.332 25791 11634 1 30 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.886 0.192 25791 11635 1 30 . 1 1 27 27 TYR C C 27 172.931 172.931 173.660 -0.729 25791 11636 1 30 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.627 0.540 25791 11637 1 30 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.376 1.284 25791 11638 1 30 . 1 1 27 27 TYR H H 27 7.675 7.675 8.059 -0.384 25791 11639 1 30 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.345 0.017 25791 11640 1 30 . 1 1 28 28 PRO C C 28 179.333 179.333 177.895 1.438 25791 11641 1 30 . 1 1 28 28 PRO CA C 28 64.394 64.394 64.178 0.215 25791 11642 1 30 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.317 -1.063 25791 11643 1 30 . 1 1 29 29 GLY N N 29 110.091 110.091 113.287 -3.196 25791 11644 1 30 . 1 1 29 29 GLY C C 29 173.218 173.218 174.772 -1.554 25791 11645 1 30 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.281 0.631 25791 11646 1 30 . 1 1 29 29 GLY H H 29 8.826 8.826 8.760 0.066 25791 11647 1 30 . 1 1 30 30 ASN N N 30 118.603 118.603 122.049 -3.446 25791 11648 1 30 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.975 0.024 25791 11649 1 30 . 1 1 30 30 ASN C C 30 173.977 173.977 174.836 -0.859 25791 11650 1 30 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.209 -0.024 25791 11651 1 30 . 1 1 30 30 ASN CB C 30 38.426 38.426 37.154 1.272 25791 11652 1 30 . 1 1 30 30 ASN H H 30 7.293 7.293 7.824 -0.531 25791 11653 1 30 . 1 1 31 31 TYR N N 31 125.240 125.240 126.521 -1.281 25791 11654 1 30 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.071 -0.173 25791 11655 1 30 . 1 1 31 31 TYR C C 31 177.343 177.343 176.403 0.940 25791 11656 1 30 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.915 -1.104 25791 11657 1 30 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.683 -0.326 25791 11658 1 30 . 1 1 31 31 TYR H H 31 8.509 8.509 7.861 0.648 25791 11659 1 30 . 1 1 32 32 GLU N N 32 118.993 118.993 116.492 2.501 25791 11660 1 30 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.597 0.303 25791 11661 1 30 . 1 1 32 32 GLU C C 32 179.549 179.549 178.614 0.935 25791 11662 1 30 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.357 0.755 25791 11663 1 30 . 1 1 32 32 GLU CB C 32 29.168 29.168 27.996 1.172 25791 11664 1 30 . 1 1 32 32 GLU H H 32 8.714 8.714 8.704 0.010 25791 11665 1 30 . 1 1 33 33 GLN N N 33 117.037 117.037 118.957 -1.920 25791 11666 1 30 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.854 -0.121 25791 11667 1 30 . 1 1 33 33 GLN C C 33 179.119 179.119 178.496 0.623 25791 11668 1 30 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.230 -0.528 25791 11669 1 30 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.501 0.125 25791 11670 1 30 . 1 1 33 33 GLN H H 33 7.536 7.536 8.278 -0.742 25791 11671 1 30 . 1 1 34 34 GLN N N 34 117.723 117.723 119.515 -1.792 25791 11672 1 30 . 1 1 34 34 GLN HA H 34 3.811 3.811 3.997 -0.186 25791 11673 1 30 . 1 1 34 34 GLN C C 34 177.634 177.634 178.525 -0.891 25791 11674 1 30 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.352 0.813 25791 11675 1 30 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.522 -1.021 25791 11676 1 30 . 1 1 34 34 GLN H H 34 7.968 7.968 8.180 -0.212 25791 11677 1 30 . 1 1 35 35 GLN N N 35 115.293 115.293 118.772 -3.479 25791 11678 1 30 . 1 1 35 35 GLN HA H 35 3.791 3.791 3.959 -0.168 25791 11679 1 30 . 1 1 35 35 GLN C C 35 178.757 178.757 178.568 0.189 25791 11680 1 30 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.370 0.240 25791 11681 1 30 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.123 0.081 25791 11682 1 30 . 1 1 35 35 GLN H H 35 7.870 7.870 7.795 0.075 25791 11683 1 30 . 1 1 36 36 ILE N N 36 120.769 120.769 120.326 0.443 25791 11684 1 30 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.619 -0.055 25791 11685 1 30 . 1 1 36 36 ILE C C 36 178.273 178.273 178.182 0.091 25791 11686 1 30 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.077 0.159 25791 11687 1 30 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.603 0.770 25791 11688 1 30 . 1 1 36 36 ILE H H 36 7.503 7.503 7.997 -0.494 25791 11689 1 30 . 1 1 37 37 LEU N N 37 121.056 121.056 121.411 -0.355 25791 11690 1 30 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.021 0.288 25791 11691 1 30 . 1 1 37 37 LEU C C 37 178.348 178.348 178.162 0.186 25791 11692 1 30 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.889 -0.155 25791 11693 1 30 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.752 -0.236 25791 11694 1 30 . 1 1 37 37 LEU H H 37 7.678 7.678 7.752 -0.074 25791 11695 1 30 . 1 1 38 38 ILE N N 38 119.334 119.334 119.519 -0.185 25791 11696 1 30 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.399 -0.058 25791 11697 1 30 . 1 1 38 38 ILE C C 38 177.371 177.371 177.895 -0.524 25791 11698 1 30 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.590 1.495 25791 11699 1 30 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.492 0.857 25791 11700 1 30 . 1 1 38 38 ILE H H 38 8.702 8.702 8.168 0.534 25791 11701 1 30 . 1 1 39 39 ARG N N 39 117.798 117.798 119.533 -1.735 25791 11702 1 30 . 1 1 39 39 ARG HA H 39 4.215 4.215 3.958 0.257 25791 11703 1 30 . 1 1 39 39 ARG C C 39 179.555 179.555 179.105 0.450 25791 11704 1 30 . 1 1 39 39 ARG CA C 39 59.459 59.459 60.325 -0.866 25791 11705 1 30 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.936 -0.184 25791 11706 1 30 . 1 1 39 39 ARG H H 39 7.739 7.739 8.247 -0.508 25791 11707 1 30 . 1 1 40 40 GLN N N 40 119.432 119.432 118.529 0.903 25791 11708 1 30 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.061 0.076 25791 11709 1 30 . 1 1 40 40 GLN C C 40 179.522 179.522 178.642 0.880 25791 11710 1 30 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.890 0.370 25791 11711 1 30 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.495 -0.138 25791 11712 1 30 . 1 1 40 40 GLN H H 40 7.811 7.811 7.698 0.113 25791 11713 1 30 . 1 1 41 41 LEU N N 41 121.592 121.592 120.457 1.135 25791 11714 1 30 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.679 0.008 25791 11715 1 30 . 1 1 41 41 LEU C C 41 178.974 178.974 178.924 0.050 25791 11716 1 30 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.697 0.266 25791 11717 1 30 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.835 -0.983 25791 11718 1 30 . 1 1 41 41 LEU H H 41 8.648 8.648 7.972 0.676 25791 11719 1 30 . 1 1 42 42 GLN N N 42 119.054 119.054 118.078 0.976 25791 11720 1 30 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.257 0.287 25791 11721 1 30 . 1 1 42 42 GLN C C 42 180.176 180.176 178.656 1.520 25791 11722 1 30 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.335 -0.101 25791 11723 1 30 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.747 -0.827 25791 11724 1 30 . 1 1 42 42 GLN H H 42 8.641 8.641 8.402 0.239 25791 11725 1 30 . 1 1 43 43 GLU N N 43 121.517 121.517 121.266 0.251 25791 11726 1 30 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.024 0.212 25791 11727 1 30 . 1 1 43 43 GLU C C 43 179.721 179.721 178.947 0.774 25791 11728 1 30 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.651 0.016 25791 11729 1 30 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.459 -0.201 25791 11730 1 30 . 1 1 43 43 GLU H H 43 8.111 8.111 7.770 0.341 25791 11731 1 30 . 1 1 44 44 GLN N N 44 119.240 119.240 118.219 1.021 25791 11732 1 30 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.011 0.105 25791 11733 1 30 . 1 1 44 44 GLN C C 44 179.012 179.012 178.341 0.671 25791 11734 1 30 . 1 1 44 44 GLN CA C 44 59.149 59.149 59.163 -0.014 25791 11735 1 30 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.740 0.114 25791 11736 1 30 . 1 1 44 44 GLN H H 44 8.372 8.372 8.262 0.110 25791 11737 1 30 . 1 1 45 45 HIS N N 45 121.705 121.705 120.490 1.215 25791 11738 1 30 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.284 -0.004 25791 11739 1 30 . 1 1 45 45 HIS C C 45 176.395 176.395 177.405 -1.010 25791 11740 1 30 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.078 1.281 25791 11741 1 30 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.521 1.804 25791 11742 1 30 . 1 1 45 45 HIS H H 45 9.472 9.472 8.429 1.043 25791 11743 1 30 . 1 1 46 46 TYR N N 46 119.039 119.039 120.306 -1.267 25791 11744 1 30 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.104 -0.255 25791 11745 1 30 . 1 1 46 46 TYR C C 46 176.664 176.664 177.996 -1.332 25791 11746 1 30 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.899 0.352 25791 11747 1 30 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.490 -0.818 25791 11748 1 30 . 1 1 46 46 TYR H H 46 8.253 8.253 8.272 -0.019 25791 11749 1 30 . 1 1 47 47 GLN N N 47 116.407 116.407 117.640 -1.233 25791 11750 1 30 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.814 -0.030 25791 11751 1 30 . 1 1 47 47 GLN C C 47 179.048 179.048 178.406 0.642 25791 11752 1 30 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.623 -0.674 25791 11753 1 30 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.455 -0.274 25791 11754 1 30 . 1 1 47 47 GLN H H 47 7.814 7.814 8.344 -0.530 25791 11755 1 30 . 1 1 48 48 GLN N N 48 119.803 119.803 119.491 0.312 25791 11756 1 30 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.058 -0.081 25791 11757 1 30 . 1 1 48 48 GLN C C 48 177.741 177.741 178.161 -0.420 25791 11758 1 30 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.519 -0.205 25791 11759 1 30 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.426 -0.098 25791 11760 1 30 . 1 1 48 48 GLN H H 48 8.645 8.645 8.533 0.112 25791 11761 1 30 . 1 1 49 49 TYR N N 49 121.342 121.342 121.629 -0.287 25791 11762 1 30 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.117 -0.477 25791 11763 1 30 . 1 1 49 49 TYR C C 49 176.021 176.021 177.528 -1.507 25791 11764 1 30 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.386 0.723 25791 11765 1 30 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.187 0.720 25791 11766 1 30 . 1 1 49 49 TYR H H 49 9.105 9.105 8.411 0.694 25791 11767 1 30 . 1 1 50 50 MET N N 50 115.522 115.522 118.309 -2.787 25791 11768 1 30 . 1 1 50 50 MET HA H 50 4.040 4.040 3.661 0.379 25791 11769 1 30 . 1 1 50 50 MET C C 50 179.841 179.841 178.300 1.541 25791 11770 1 30 . 1 1 50 50 MET CA C 50 56.623 56.623 57.016 -0.393 25791 11771 1 30 . 1 1 50 50 MET CB C 50 30.099 30.099 31.669 -1.569 25791 11772 1 30 . 1 1 50 50 MET H H 50 8.060 8.060 8.226 -0.166 25791 11773 1 30 . 1 1 51 51 GLN N N 51 118.942 118.942 117.725 1.217 25791 11774 1 30 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.909 0.156 25791 11775 1 30 . 1 1 51 51 GLN C C 51 178.707 178.707 178.645 0.062 25791 11776 1 30 . 1 1 51 51 GLN CA C 51 58.941 58.941 58.910 0.031 25791 11777 1 30 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.041 0.448 25791 11778 1 30 . 1 1 51 51 GLN H H 51 7.830 7.830 7.926 -0.096 25791 11779 1 30 . 1 1 52 52 GLN N N 52 119.210 119.210 119.795 -0.585 25791 11780 1 30 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.123 -0.066 25791 11781 1 30 . 1 1 52 52 GLN C C 52 178.738 178.738 178.449 0.289 25791 11782 1 30 . 1 1 52 52 GLN CA C 52 58.749 58.749 57.995 0.754 25791 11783 1 30 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.319 0.084 25791 11784 1 30 . 1 1 52 52 GLN H H 52 8.187 8.187 7.931 0.256 25791 11785 1 30 . 1 1 53 53 LEU N N 53 121.233 121.233 121.504 -0.271 25791 11786 1 30 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.853 -0.012 25791 11787 1 30 . 1 1 53 53 LEU C C 53 179.191 179.191 178.016 1.175 25791 11788 1 30 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.814 -0.069 25791 11789 1 30 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.211 0.655 25791 11790 1 30 . 1 1 53 53 LEU H H 53 8.441 8.441 8.134 0.307 25791 11791 1 30 . 1 1 54 54 TYR N N 54 118.505 118.505 119.344 -0.839 25791 11792 1 30 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.906 0.412 25791 11793 1 30 . 1 1 54 54 TYR C C 54 177.535 177.535 177.477 0.058 25791 11794 1 30 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.438 -1.961 25791 11795 1 30 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.409 -0.623 25791 11796 1 30 . 1 1 54 54 TYR H H 54 7.819 7.819 8.234 -0.415 25791 11797 1 30 . 1 1 55 55 GLN N N 55 117.299 117.299 117.766 -0.467 25791 11798 1 30 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.067 -0.168 25791 11799 1 30 . 1 1 55 55 GLN C C 55 179.041 179.041 178.354 0.687 25791 11800 1 30 . 1 1 55 55 GLN CA C 55 58.709 58.709 59.016 -0.307 25791 11801 1 30 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.449 -0.234 25791 11802 1 30 . 1 1 55 55 GLN H H 55 7.735 7.735 7.707 0.028 25791 11803 1 30 . 1 1 56 56 VAL N N 56 120.879 120.879 119.870 1.009 25791 11804 1 30 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.659 0.133 25791 11805 1 30 . 1 1 56 56 VAL C C 56 178.262 178.262 178.145 0.117 25791 11806 1 30 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.260 -0.318 25791 11807 1 30 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.339 0.540 25791 11808 1 30 . 1 1 56 56 VAL H H 56 8.014 8.014 7.593 0.421 25791 11809 1 30 . 1 1 57 57 GLN N N 57 120.513 120.513 119.834 0.679 25791 11810 1 30 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.999 0.061 25791 11811 1 30 . 1 1 57 57 GLN C C 57 178.772 178.772 178.280 0.492 25791 11812 1 30 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.324 0.292 25791 11813 1 30 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.669 0.316 25791 11814 1 30 . 1 1 57 57 GLN H H 57 8.103 8.103 8.187 -0.084 25791 11815 1 30 . 1 1 58 58 LEU N N 58 121.244 121.244 121.402 -0.158 25791 11816 1 30 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.968 0.037 25791 11817 1 30 . 1 1 58 58 LEU C C 58 179.134 179.134 178.252 0.882 25791 11818 1 30 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.231 0.275 25791 11819 1 30 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.266 0.537 25791 11820 1 30 . 1 1 58 58 LEU H H 58 8.176 8.176 7.811 0.365 25791 11821 1 30 . 1 1 59 59 ALA N N 59 121.608 121.608 121.254 0.354 25791 11822 1 30 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.902 0.263 25791 11823 1 30 . 1 1 59 59 ALA C C 59 180.497 180.497 179.888 0.609 25791 11824 1 30 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.229 -0.647 25791 11825 1 30 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.120 -0.067 25791 11826 1 30 . 1 1 59 59 ALA H H 59 7.833 7.833 8.056 -0.223 25791 11827 1 30 . 1 1 60 60 GLN N N 60 118.335 118.335 117.752 0.583 25791 11828 1 30 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.914 0.234 25791 11829 1 30 . 1 1 60 60 GLN C C 60 178.334 178.334 178.408 -0.074 25791 11830 1 30 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.809 -0.832 25791 11831 1 30 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.627 -0.192 25791 11832 1 30 . 1 1 60 60 GLN H H 60 8.081 8.081 7.818 0.263 25791 11833 1 30 . 1 1 61 61 GLN N N 61 120.206 120.206 119.888 0.318 25791 11834 1 30 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.950 0.212 25791 11835 1 30 . 1 1 61 61 GLN C C 61 178.002 178.002 178.579 -0.577 25791 11836 1 30 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.943 -1.038 25791 11837 1 30 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.543 0.036 25791 11838 1 30 . 1 1 61 61 GLN H H 61 8.111 8.111 8.015 0.096 25791 11839 1 30 . 1 1 62 62 GLN N N 62 118.980 118.980 118.172 0.808 25791 11840 1 30 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.050 0.079 25791 11841 1 30 . 1 1 62 62 GLN C C 62 177.624 177.624 178.272 -0.648 25791 11842 1 30 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.558 -0.922 25791 11843 1 30 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.425 0.211 25791 11844 1 30 . 1 1 62 62 GLN H H 62 8.203 8.203 8.502 -0.299 25791 11845 1 30 . 1 1 63 63 ALA N N 63 122.712 122.712 121.815 0.897 25791 11846 1 30 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.147 0.059 25791 11847 1 30 . 1 1 63 63 ALA C C 63 178.922 178.922 178.910 0.012 25791 11848 1 30 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.395 -0.499 25791 11849 1 30 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.163 0.296 25791 11850 1 30 . 1 1 63 63 ALA H H 63 8.004 8.004 7.840 0.164 25791 11851 1 30 . 1 1 64 64 ALA N N 64 120.813 120.813 120.747 0.066 25791 11852 1 30 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.141 0.091 25791 11853 1 30 . 1 1 64 64 ALA C C 64 178.732 178.732 178.897 -0.165 25791 11854 1 30 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.048 -0.532 25791 11855 1 30 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.126 -0.496 25791 11856 1 30 . 1 1 64 64 ALA H H 64 7.837 7.837 7.601 0.236 25791 11857 1 30 . 1 1 65 65 LEU N N 65 119.196 119.196 118.781 0.415 25791 11858 1 30 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.244 0.013 25791 11859 1 30 . 1 1 65 65 LEU C C 65 178.038 178.038 177.974 0.064 25791 11860 1 30 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.267 -0.445 25791 11861 1 30 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.080 0.184 25791 11862 1 30 . 1 1 65 65 LEU H H 65 7.765 7.765 7.667 0.098 25791 11863 1 30 . 1 1 66 66 GLN N N 66 119.365 119.365 114.912 4.453 25791 11864 1 30 . 1 1 66 66 GLN HA H 66 4.275 4.275 4.005 0.270 25791 11865 1 30 . 1 1 66 66 GLN C C 66 176.120 176.120 175.998 0.122 25791 11866 1 30 . 1 1 66 66 GLN CA C 66 56.067 56.067 57.047 -0.980 25791 11867 1 30 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.712 2.420 25791 11868 1 30 . 1 1 66 66 GLN H H 66 7.967 7.967 8.159 -0.192 25791 11869 1 30 . 1 1 67 67 LYS N N 67 121.521 121.521 118.682 2.839 25791 11870 1 30 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.400 -0.091 25791 11871 1 30 . 1 1 67 67 LYS C C 67 176.437 176.437 176.127 0.310 25791 11872 1 30 . 1 1 67 67 LYS CA C 67 56.389 56.389 54.727 1.662 25791 11873 1 30 . 1 1 67 67 LYS CB C 67 33.041 33.041 33.013 0.028 25791 11874 1 30 . 1 1 67 67 LYS H H 67 8.053 8.053 8.157 -0.104 25791 11875 1 30 . 1 1 68 68 GLN N N 68 121.970 121.970 118.297 3.673 25791 11876 1 30 . 1 1 68 68 GLN HA H 68 4.339 4.339 3.999 0.340 25791 11877 1 30 . 1 1 68 68 GLN C C 68 175.120 175.120 175.401 -0.281 25791 11878 1 30 . 1 1 68 68 GLN CA C 68 56.000 56.000 56.727 -0.727 25791 11879 1 30 . 1 1 68 68 GLN CB C 68 29.498 29.498 27.357 2.141 25791 11880 1 30 . 1 1 68 68 GLN H H 68 8.314 8.314 8.432 -0.118 25791 11881 1 31 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.412 0.035 25791 11882 1 31 . 1 1 2 2 GLN C C 2 176.144 176.144 177.459 -1.315 25791 11883 1 31 . 1 1 2 2 GLN CA C 2 56.209 56.209 55.734 0.475 25791 11884 1 31 . 1 1 2 2 GLN CB C 2 29.459 29.459 29.412 0.047 25791 11885 1 31 . 1 1 3 3 GLN N N 3 122.052 122.052 124.441 -2.389 25791 11886 1 31 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.038 0.285 25791 11887 1 31 . 1 1 3 3 GLN C C 3 176.988 176.988 176.827 0.161 25791 11888 1 31 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.514 -1.111 25791 11889 1 31 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.047 1.192 25791 11890 1 31 . 1 1 3 3 GLN H H 3 8.780 8.780 8.892 -0.112 25791 11891 1 31 . 1 1 4 4 LYS N N 4 121.855 121.855 120.660 1.195 25791 11892 1 31 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.016 -0.012 25791 11893 1 31 . 1 1 4 4 LYS C C 4 177.638 177.638 178.369 -0.731 25791 11894 1 31 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.095 1.144 25791 11895 1 31 . 1 1 4 4 LYS CB C 4 32.699 32.699 31.796 0.904 25791 11896 1 31 . 1 1 4 4 LYS H H 4 8.528 8.528 8.180 0.348 25791 11897 1 31 . 1 1 5 5 GLN N N 5 116.397 116.397 117.635 -1.238 25791 11898 1 31 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.925 0.016 25791 11899 1 31 . 1 1 5 5 GLN C C 5 178.761 178.761 178.447 0.314 25791 11900 1 31 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.956 0.393 25791 11901 1 31 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.175 -0.225 25791 11902 1 31 . 1 1 5 5 GLN H H 5 8.223 8.223 8.135 0.088 25791 11903 1 31 . 1 1 6 6 GLN N N 6 119.262 119.262 118.269 0.993 25791 11904 1 31 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.132 -0.004 25791 11905 1 31 . 1 1 6 6 GLN C C 6 179.018 179.018 178.402 0.616 25791 11906 1 31 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.442 0.647 25791 11907 1 31 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.124 0.586 25791 11908 1 31 . 1 1 6 6 GLN H H 6 7.848 7.848 7.701 0.147 25791 11909 1 31 . 1 1 7 7 ILE N N 7 121.296 121.296 121.598 -0.302 25791 11910 1 31 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.841 -0.258 25791 11911 1 31 . 1 1 7 7 ILE C C 7 177.833 177.833 178.075 -0.242 25791 11912 1 31 . 1 1 7 7 ILE CA C 7 65.129 65.129 63.155 1.974 25791 11913 1 31 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.159 1.047 25791 11914 1 31 . 1 1 7 7 ILE H H 7 8.095 8.095 7.305 0.790 25791 11915 1 31 . 1 1 8 8 MET N N 8 117.603 117.603 118.770 -1.167 25791 11916 1 31 . 1 1 8 8 MET HA H 8 3.985 3.985 4.022 -0.037 25791 11917 1 31 . 1 1 8 8 MET C C 8 177.355 177.355 178.863 -1.508 25791 11918 1 31 . 1 1 8 8 MET CA C 8 59.932 59.932 59.658 0.274 25791 11919 1 31 . 1 1 8 8 MET CB C 8 32.721 32.721 31.947 0.774 25791 11920 1 31 . 1 1 8 8 MET H H 8 8.672 8.672 8.380 0.292 25791 11921 1 31 . 1 1 9 9 ALA N N 9 118.774 118.774 121.599 -2.825 25791 11922 1 31 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.020 0.026 25791 11923 1 31 . 1 1 9 9 ALA C C 9 180.546 180.546 179.174 1.372 25791 11924 1 31 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.183 0.202 25791 11925 1 31 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.932 -0.034 25791 11926 1 31 . 1 1 9 9 ALA H H 9 7.795 7.795 7.833 -0.038 25791 11927 1 31 . 1 1 10 10 ALA N N 10 120.854 120.854 121.573 -0.719 25791 11928 1 31 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.068 0.137 25791 11929 1 31 . 1 1 10 10 ALA C C 10 181.200 181.200 179.419 1.781 25791 11930 1 31 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.645 0.367 25791 11931 1 31 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.537 0.724 25791 11932 1 31 . 1 1 10 10 ALA H H 10 7.438 7.438 7.607 -0.169 25791 11933 1 31 . 1 1 11 11 LEU N N 11 120.775 120.775 119.155 1.620 25791 11934 1 31 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.841 -0.093 25791 11935 1 31 . 1 1 11 11 LEU C C 11 179.041 179.041 179.324 -0.283 25791 11936 1 31 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.850 0.496 25791 11937 1 31 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.218 -1.241 25791 11938 1 31 . 1 1 11 11 LEU H H 11 8.757 8.757 8.616 0.141 25791 11939 1 31 . 1 1 12 12 ASN N N 12 116.313 116.313 117.788 -1.475 25791 11940 1 31 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.510 0.054 25791 11941 1 31 . 1 1 12 12 ASN C C 12 178.900 178.900 177.138 1.762 25791 11942 1 31 . 1 1 12 12 ASN CA C 12 54.065 54.065 56.418 -2.353 25791 11943 1 31 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.560 -1.567 25791 11944 1 31 . 1 1 12 12 ASN H H 12 8.850 8.850 8.455 0.395 25791 11945 1 31 . 1 1 13 13 SER N N 13 114.747 114.747 114.806 -0.059 25791 11946 1 31 . 1 1 13 13 SER HA H 13 4.370 4.370 4.241 0.129 25791 11947 1 31 . 1 1 13 13 SER C C 13 176.515 176.515 176.720 -0.205 25791 11948 1 31 . 1 1 13 13 SER CA C 13 61.141 61.141 61.700 -0.559 25791 11949 1 31 . 1 1 13 13 SER CB C 13 63.044 63.044 63.341 -0.297 25791 11950 1 31 . 1 1 13 13 SER H H 13 7.672 7.672 7.666 0.006 25791 11951 1 31 . 1 1 14 14 GLN N N 14 119.954 119.954 119.359 0.595 25791 11952 1 31 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.193 0.025 25791 11953 1 31 . 1 1 14 14 GLN C C 14 178.208 178.208 177.136 1.072 25791 11954 1 31 . 1 1 14 14 GLN CA C 14 57.749 57.749 58.117 -0.368 25791 11955 1 31 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.848 -0.148 25791 11956 1 31 . 1 1 14 14 GLN H H 14 7.573 7.573 7.872 -0.299 25791 11957 1 31 . 1 1 15 15 THR N N 15 107.493 107.493 107.290 0.203 25791 11958 1 31 . 1 1 15 15 THR HA H 15 3.899 3.899 4.438 -0.539 25791 11959 1 31 . 1 1 15 15 THR C C 15 174.683 174.683 174.940 -0.257 25791 11960 1 31 . 1 1 15 15 THR CA C 15 61.551 61.551 59.986 1.565 25791 11961 1 31 . 1 1 15 15 THR CB C 15 69.226 69.226 69.416 -0.190 25791 11962 1 31 . 1 1 15 15 THR H H 15 7.741 7.741 7.622 0.119 25791 11963 1 31 . 1 1 16 16 ALA N N 16 124.034 124.034 126.166 -2.132 25791 11964 1 31 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.002 0.133 25791 11965 1 31 . 1 1 16 16 ALA C C 16 179.899 179.899 178.446 1.453 25791 11966 1 31 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.620 0.587 25791 11967 1 31 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.183 0.541 25791 11968 1 31 . 1 1 16 16 ALA H H 16 6.873 6.873 7.263 -0.390 25791 11969 1 31 . 1 1 17 17 VAL N N 17 117.150 117.150 118.158 -1.008 25791 11970 1 31 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.705 0.009 25791 11971 1 31 . 1 1 17 17 VAL C C 17 178.537 178.537 177.327 1.210 25791 11972 1 31 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.193 1.315 25791 11973 1 31 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.595 0.098 25791 11974 1 31 . 1 1 17 17 VAL H H 17 8.162 8.162 8.342 -0.180 25791 11975 1 31 . 1 1 18 18 GLN N N 18 119.489 119.489 119.829 -0.340 25791 11976 1 31 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.012 0.045 25791 11977 1 31 . 1 1 18 18 GLN C C 18 180.429 180.429 179.014 1.415 25791 11978 1 31 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.182 0.517 25791 11979 1 31 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.434 0.752 25791 11980 1 31 . 1 1 18 18 GLN H H 18 8.451 8.451 8.110 0.341 25791 11981 1 31 . 1 1 19 19 PHE N N 19 117.940 117.940 118.380 -0.440 25791 11982 1 31 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.542 0.288 25791 11983 1 31 . 1 1 19 19 PHE C C 19 177.858 177.858 178.193 -0.335 25791 11984 1 31 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.168 -1.139 25791 11985 1 31 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.266 -2.361 25791 11986 1 31 . 1 1 19 19 PHE H H 19 8.924 8.924 8.654 0.270 25791 11987 1 31 . 1 1 20 20 GLN N N 20 120.297 120.297 119.825 0.472 25791 11988 1 31 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.997 0.109 25791 11989 1 31 . 1 1 20 20 GLN C C 20 178.986 178.986 178.588 0.398 25791 11990 1 31 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.721 -0.158 25791 11991 1 31 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.570 -0.675 25791 11992 1 31 . 1 1 20 20 GLN H H 20 8.264 8.264 8.035 0.229 25791 11993 1 31 . 1 1 21 21 GLN N N 21 118.595 118.595 118.842 -0.247 25791 11994 1 31 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.096 -0.014 25791 11995 1 31 . 1 1 21 21 GLN C C 21 178.806 178.806 178.622 0.184 25791 11996 1 31 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.848 0.322 25791 11997 1 31 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.601 -0.405 25791 11998 1 31 . 1 1 21 21 GLN H H 21 8.527 8.527 8.504 0.023 25791 11999 1 31 . 1 1 22 22 TYR N N 22 119.594 119.594 120.966 -1.372 25791 12000 1 31 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.139 0.108 25791 12001 1 31 . 1 1 22 22 TYR C C 22 177.789 177.789 176.959 0.830 25791 12002 1 31 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.496 1.216 25791 12003 1 31 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.176 0.548 25791 12004 1 31 . 1 1 22 22 TYR H H 22 7.843 7.843 7.859 -0.016 25791 12005 1 31 . 1 1 23 23 ALA N N 23 120.663 120.663 121.540 -0.877 25791 12006 1 31 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.703 0.154 25791 12007 1 31 . 1 1 23 23 ALA C C 23 179.319 179.319 178.706 0.613 25791 12008 1 31 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.958 0.631 25791 12009 1 31 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.180 0.302 25791 12010 1 31 . 1 1 23 23 ALA H H 23 8.612 8.612 8.555 0.057 25791 12011 1 31 . 1 1 24 24 ALA N N 24 119.002 119.002 119.853 -0.851 25791 12012 1 31 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.099 -0.161 25791 12013 1 31 . 1 1 24 24 ALA C C 24 178.987 178.987 179.206 -0.219 25791 12014 1 31 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.332 -0.015 25791 12015 1 31 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.473 -0.582 25791 12016 1 31 . 1 1 24 24 ALA H H 24 8.168 8.168 8.366 -0.198 25791 12017 1 31 . 1 1 25 25 GLN N N 25 115.599 115.599 117.078 -1.479 25791 12018 1 31 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.049 -0.045 25791 12019 1 31 . 1 1 25 25 GLN C C 25 177.818 177.818 177.787 0.031 25791 12020 1 31 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.238 -0.784 25791 12021 1 31 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.656 -0.201 25791 12022 1 31 . 1 1 25 25 GLN H H 25 7.300 7.300 7.403 -0.103 25791 12023 1 31 . 1 1 26 26 GLN N N 26 116.989 116.989 116.909 0.080 25791 12024 1 31 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.838 -0.134 25791 12025 1 31 . 1 1 26 26 GLN C C 26 175.979 175.979 176.133 -0.154 25791 12026 1 31 . 1 1 26 26 GLN CA C 26 56.788 56.788 57.117 -0.329 25791 12027 1 31 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.321 -0.241 25791 12028 1 31 . 1 1 26 26 GLN H H 26 7.401 7.401 7.410 -0.009 25791 12029 1 31 . 1 1 27 27 TYR N N 27 114.712 114.712 116.948 -2.236 25791 12030 1 31 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.927 0.151 25791 12031 1 31 . 1 1 27 27 TYR C C 27 172.931 172.931 173.580 -0.649 25791 12032 1 31 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.522 0.645 25791 12033 1 31 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.411 1.248 25791 12034 1 31 . 1 1 27 27 TYR H H 27 7.675 7.675 7.960 -0.285 25791 12035 1 31 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.516 -0.154 25791 12036 1 31 . 1 1 28 28 PRO C C 28 179.333 179.333 178.003 1.330 25791 12037 1 31 . 1 1 28 28 PRO CA C 28 64.394 64.394 64.113 0.281 25791 12038 1 31 . 1 1 28 28 PRO CB C 28 31.254 31.254 31.961 -0.707 25791 12039 1 31 . 1 1 29 29 GLY N N 29 110.091 110.091 112.904 -2.813 25791 12040 1 31 . 1 1 29 29 GLY C C 29 173.218 173.218 174.610 -1.392 25791 12041 1 31 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.420 0.492 25791 12042 1 31 . 1 1 29 29 GLY H H 29 8.826 8.826 8.874 -0.048 25791 12043 1 31 . 1 1 30 30 ASN N N 30 118.603 118.603 122.065 -3.462 25791 12044 1 31 . 1 1 30 30 ASN HA H 30 4.999 4.999 5.003 -0.004 25791 12045 1 31 . 1 1 30 30 ASN C C 30 173.977 173.977 174.955 -0.978 25791 12046 1 31 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.942 -0.757 25791 12047 1 31 . 1 1 30 30 ASN CB C 30 38.426 38.426 37.774 0.652 25791 12048 1 31 . 1 1 30 30 ASN H H 30 7.293 7.293 7.797 -0.504 25791 12049 1 31 . 1 1 31 31 TYR N N 31 125.240 125.240 126.178 -0.938 25791 12050 1 31 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.033 -0.135 25791 12051 1 31 . 1 1 31 31 TYR C C 31 177.343 177.343 176.805 0.538 25791 12052 1 31 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.746 -0.935 25791 12053 1 31 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.813 -0.456 25791 12054 1 31 . 1 1 31 31 TYR H H 31 8.509 8.509 7.964 0.545 25791 12055 1 31 . 1 1 32 32 GLU N N 32 118.993 118.993 117.830 1.163 25791 12056 1 31 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.708 0.192 25791 12057 1 31 . 1 1 32 32 GLU C C 32 179.549 179.549 178.699 0.850 25791 12058 1 31 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.968 0.144 25791 12059 1 31 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.834 0.334 25791 12060 1 31 . 1 1 32 32 GLU H H 32 8.714 8.714 8.746 -0.032 25791 12061 1 31 . 1 1 33 33 GLN N N 33 117.037 117.037 117.864 -0.827 25791 12062 1 31 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.783 -0.050 25791 12063 1 31 . 1 1 33 33 GLN C C 33 179.119 179.119 178.528 0.591 25791 12064 1 31 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.392 -0.690 25791 12065 1 31 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.561 0.065 25791 12066 1 31 . 1 1 33 33 GLN H H 33 7.536 7.536 8.279 -0.743 25791 12067 1 31 . 1 1 34 34 GLN N N 34 117.723 117.723 119.514 -1.791 25791 12068 1 31 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.037 -0.226 25791 12069 1 31 . 1 1 34 34 GLN C C 34 177.634 177.634 178.515 -0.881 25791 12070 1 31 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.369 0.796 25791 12071 1 31 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.532 -1.031 25791 12072 1 31 . 1 1 34 34 GLN H H 34 7.968 7.968 8.339 -0.371 25791 12073 1 31 . 1 1 35 35 GLN N N 35 115.293 115.293 118.858 -3.565 25791 12074 1 31 . 1 1 35 35 GLN HA H 35 3.791 3.791 3.961 -0.170 25791 12075 1 31 . 1 1 35 35 GLN C C 35 178.757 178.757 178.594 0.163 25791 12076 1 31 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.398 0.212 25791 12077 1 31 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.141 0.064 25791 12078 1 31 . 1 1 35 35 GLN H H 35 7.870 7.870 7.835 0.035 25791 12079 1 31 . 1 1 36 36 ILE N N 36 120.769 120.769 120.484 0.285 25791 12080 1 31 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.624 -0.060 25791 12081 1 31 . 1 1 36 36 ILE C C 36 178.273 178.273 178.115 0.158 25791 12082 1 31 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.201 0.035 25791 12083 1 31 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.646 0.727 25791 12084 1 31 . 1 1 36 36 ILE H H 36 7.503 7.503 7.979 -0.476 25791 12085 1 31 . 1 1 37 37 LEU N N 37 121.056 121.056 121.327 -0.271 25791 12086 1 31 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.095 0.214 25791 12087 1 31 . 1 1 37 37 LEU C C 37 178.348 178.348 178.343 0.005 25791 12088 1 31 . 1 1 37 37 LEU CA C 37 57.734 57.734 58.139 -0.405 25791 12089 1 31 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.934 -0.418 25791 12090 1 31 . 1 1 37 37 LEU H H 37 7.678 7.678 7.700 -0.022 25791 12091 1 31 . 1 1 38 38 ILE N N 38 119.334 119.334 119.578 -0.244 25791 12092 1 31 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.485 -0.144 25791 12093 1 31 . 1 1 38 38 ILE C C 38 177.371 177.371 177.968 -0.597 25791 12094 1 31 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.724 1.361 25791 12095 1 31 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.568 0.781 25791 12096 1 31 . 1 1 38 38 ILE H H 38 8.702 8.702 8.360 0.342 25791 12097 1 31 . 1 1 39 39 ARG N N 39 117.798 117.798 119.460 -1.662 25791 12098 1 31 . 1 1 39 39 ARG HA H 39 4.215 4.215 3.908 0.307 25791 12099 1 31 . 1 1 39 39 ARG C C 39 179.555 179.555 178.972 0.583 25791 12100 1 31 . 1 1 39 39 ARG CA C 39 59.459 59.459 60.216 -0.757 25791 12101 1 31 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.801 -0.049 25791 12102 1 31 . 1 1 39 39 ARG H H 39 7.739 7.739 8.378 -0.639 25791 12103 1 31 . 1 1 40 40 GLN N N 40 119.432 119.432 118.783 0.649 25791 12104 1 31 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.035 0.102 25791 12105 1 31 . 1 1 40 40 GLN C C 40 179.522 179.522 178.500 1.022 25791 12106 1 31 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.983 0.278 25791 12107 1 31 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.682 -0.324 25791 12108 1 31 . 1 1 40 40 GLN H H 40 7.811 7.811 7.630 0.181 25791 12109 1 31 . 1 1 41 41 LEU N N 41 121.592 121.592 120.940 0.652 25791 12110 1 31 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.825 -0.138 25791 12111 1 31 . 1 1 41 41 LEU C C 41 178.974 178.974 179.154 -0.180 25791 12112 1 31 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.961 0.002 25791 12113 1 31 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.831 -0.979 25791 12114 1 31 . 1 1 41 41 LEU H H 41 8.648 8.648 8.367 0.281 25791 12115 1 31 . 1 1 42 42 GLN N N 42 119.054 119.054 118.334 0.720 25791 12116 1 31 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.418 0.126 25791 12117 1 31 . 1 1 42 42 GLN C C 42 180.176 180.176 179.018 1.158 25791 12118 1 31 . 1 1 42 42 GLN CA C 42 59.234 59.234 58.595 0.639 25791 12119 1 31 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.244 -0.324 25791 12120 1 31 . 1 1 42 42 GLN H H 42 8.641 8.641 8.652 -0.011 25791 12121 1 31 . 1 1 43 43 GLU N N 43 121.517 121.517 121.947 -0.430 25791 12122 1 31 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.072 0.164 25791 12123 1 31 . 1 1 43 43 GLU C C 43 179.721 179.721 178.957 0.764 25791 12124 1 31 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.810 -0.143 25791 12125 1 31 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.411 -0.153 25791 12126 1 31 . 1 1 43 43 GLU H H 43 8.111 8.111 7.823 0.288 25791 12127 1 31 . 1 1 44 44 GLN N N 44 119.240 119.240 118.679 0.561 25791 12128 1 31 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.262 -0.146 25791 12129 1 31 . 1 1 44 44 GLN C C 44 179.012 179.012 178.479 0.533 25791 12130 1 31 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.915 0.234 25791 12131 1 31 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.908 -0.054 25791 12132 1 31 . 1 1 44 44 GLN H H 44 8.372 8.372 8.116 0.256 25791 12133 1 31 . 1 1 45 45 HIS N N 45 121.705 121.705 120.855 0.850 25791 12134 1 31 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.280 0.000 25791 12135 1 31 . 1 1 45 45 HIS C C 45 176.395 176.395 177.193 -0.798 25791 12136 1 31 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.252 1.107 25791 12137 1 31 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.598 1.728 25791 12138 1 31 . 1 1 45 45 HIS H H 45 9.472 9.472 8.505 0.967 25791 12139 1 31 . 1 1 46 46 TYR N N 46 119.039 119.039 120.239 -1.200 25791 12140 1 31 . 1 1 46 46 TYR HA H 46 3.849 3.849 3.987 -0.138 25791 12141 1 31 . 1 1 46 46 TYR C C 46 176.664 176.664 178.005 -1.341 25791 12142 1 31 . 1 1 46 46 TYR CA C 46 62.251 62.251 62.044 0.207 25791 12143 1 31 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.349 -0.677 25791 12144 1 31 . 1 1 46 46 TYR H H 46 8.253 8.253 8.589 -0.336 25791 12145 1 31 . 1 1 47 47 GLN N N 47 116.407 116.407 117.882 -1.475 25791 12146 1 31 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.745 0.039 25791 12147 1 31 . 1 1 47 47 GLN C C 47 179.048 179.048 178.385 0.663 25791 12148 1 31 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.251 -0.302 25791 12149 1 31 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.503 -0.322 25791 12150 1 31 . 1 1 47 47 GLN H H 47 7.814 7.814 8.493 -0.679 25791 12151 1 31 . 1 1 48 48 GLN N N 48 119.803 119.803 119.699 0.104 25791 12152 1 31 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.075 -0.098 25791 12153 1 31 . 1 1 48 48 GLN C C 48 177.741 177.741 178.132 -0.391 25791 12154 1 31 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.465 -0.151 25791 12155 1 31 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.438 -0.110 25791 12156 1 31 . 1 1 48 48 GLN H H 48 8.645 8.645 8.466 0.179 25791 12157 1 31 . 1 1 49 49 TYR N N 49 121.342 121.342 121.893 -0.551 25791 12158 1 31 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.104 -0.464 25791 12159 1 31 . 1 1 49 49 TYR C C 49 176.021 176.021 177.548 -1.527 25791 12160 1 31 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.586 0.523 25791 12161 1 31 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.214 0.693 25791 12162 1 31 . 1 1 49 49 TYR H H 49 9.105 9.105 8.656 0.449 25791 12163 1 31 . 1 1 50 50 MET N N 50 115.522 115.522 118.521 -2.999 25791 12164 1 31 . 1 1 50 50 MET HA H 50 4.040 4.040 3.664 0.376 25791 12165 1 31 . 1 1 50 50 MET C C 50 179.841 179.841 178.184 1.657 25791 12166 1 31 . 1 1 50 50 MET CA C 50 56.623 56.623 56.784 -0.161 25791 12167 1 31 . 1 1 50 50 MET CB C 50 30.099 30.099 31.519 -1.420 25791 12168 1 31 . 1 1 50 50 MET H H 50 8.060 8.060 8.274 -0.214 25791 12169 1 31 . 1 1 51 51 GLN N N 51 118.942 118.942 118.551 0.391 25791 12170 1 31 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.876 0.189 25791 12171 1 31 . 1 1 51 51 GLN C C 51 178.707 178.707 178.473 0.234 25791 12172 1 31 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.465 -0.524 25791 12173 1 31 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.449 0.040 25791 12174 1 31 . 1 1 51 51 GLN H H 51 7.830 7.830 7.882 -0.052 25791 12175 1 31 . 1 1 52 52 GLN N N 52 119.210 119.210 119.751 -0.541 25791 12176 1 31 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.102 -0.045 25791 12177 1 31 . 1 1 52 52 GLN C C 52 178.738 178.738 178.495 0.243 25791 12178 1 31 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.089 0.660 25791 12179 1 31 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.419 -0.017 25791 12180 1 31 . 1 1 52 52 GLN H H 52 8.187 8.187 8.059 0.128 25791 12181 1 31 . 1 1 53 53 LEU N N 53 121.233 121.233 121.542 -0.309 25791 12182 1 31 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.843 -0.002 25791 12183 1 31 . 1 1 53 53 LEU C C 53 179.191 179.191 177.972 1.219 25791 12184 1 31 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.795 -0.050 25791 12185 1 31 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.235 0.631 25791 12186 1 31 . 1 1 53 53 LEU H H 53 8.441 8.441 8.256 0.185 25791 12187 1 31 . 1 1 54 54 TYR N N 54 118.505 118.505 119.283 -0.778 25791 12188 1 31 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.905 0.413 25791 12189 1 31 . 1 1 54 54 TYR C C 54 177.535 177.535 177.441 0.094 25791 12190 1 31 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.377 -1.900 25791 12191 1 31 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.377 -0.591 25791 12192 1 31 . 1 1 54 54 TYR H H 54 7.819 7.819 8.246 -0.427 25791 12193 1 31 . 1 1 55 55 GLN N N 55 117.299 117.299 117.645 -0.346 25791 12194 1 31 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.066 -0.167 25791 12195 1 31 . 1 1 55 55 GLN C C 55 179.041 179.041 178.363 0.678 25791 12196 1 31 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.932 -0.223 25791 12197 1 31 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.523 -0.308 25791 12198 1 31 . 1 1 55 55 GLN H H 55 7.735 7.735 7.695 0.040 25791 12199 1 31 . 1 1 56 56 VAL N N 56 120.879 120.879 120.501 0.378 25791 12200 1 31 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.549 0.243 25791 12201 1 31 . 1 1 56 56 VAL C C 56 178.262 178.262 177.736 0.526 25791 12202 1 31 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.526 -0.584 25791 12203 1 31 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.688 0.191 25791 12204 1 31 . 1 1 56 56 VAL H H 56 8.014 8.014 7.624 0.390 25791 12205 1 31 . 1 1 57 57 GLN N N 57 120.513 120.513 119.475 1.038 25791 12206 1 31 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.948 0.112 25791 12207 1 31 . 1 1 57 57 GLN C C 57 178.772 178.772 178.262 0.510 25791 12208 1 31 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.559 0.057 25791 12209 1 31 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.863 0.122 25791 12210 1 31 . 1 1 57 57 GLN H H 57 8.103 8.103 8.187 -0.084 25791 12211 1 31 . 1 1 58 58 LEU N N 58 121.244 121.244 121.313 -0.069 25791 12212 1 31 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.909 0.096 25791 12213 1 31 . 1 1 58 58 LEU C C 58 179.134 179.134 178.218 0.916 25791 12214 1 31 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.364 0.142 25791 12215 1 31 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.277 0.526 25791 12216 1 31 . 1 1 58 58 LEU H H 58 8.176 8.176 7.796 0.380 25791 12217 1 31 . 1 1 59 59 ALA N N 59 121.608 121.608 121.160 0.448 25791 12218 1 31 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.913 0.252 25791 12219 1 31 . 1 1 59 59 ALA C C 59 180.497 180.497 179.886 0.611 25791 12220 1 31 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.292 -0.710 25791 12221 1 31 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.052 0.001 25791 12222 1 31 . 1 1 59 59 ALA H H 59 7.833 7.833 7.953 -0.120 25791 12223 1 31 . 1 1 60 60 GLN N N 60 118.335 118.335 117.594 0.741 25791 12224 1 31 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.948 0.200 25791 12225 1 31 . 1 1 60 60 GLN C C 60 178.334 178.334 178.912 -0.578 25791 12226 1 31 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.732 -0.755 25791 12227 1 31 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.197 0.238 25791 12228 1 31 . 1 1 60 60 GLN H H 60 8.081 8.081 8.013 0.068 25791 12229 1 31 . 1 1 61 61 GLN N N 61 120.206 120.206 119.713 0.493 25791 12230 1 31 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.975 0.187 25791 12231 1 31 . 1 1 61 61 GLN C C 61 178.002 178.002 178.637 -0.635 25791 12232 1 31 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.990 -1.085 25791 12233 1 31 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.578 0.001 25791 12234 1 31 . 1 1 61 61 GLN H H 61 8.111 8.111 7.944 0.167 25791 12235 1 31 . 1 1 62 62 GLN N N 62 118.980 118.980 118.908 0.072 25791 12236 1 31 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.033 0.096 25791 12237 1 31 . 1 1 62 62 GLN C C 62 177.624 177.624 178.367 -0.743 25791 12238 1 31 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.846 -1.210 25791 12239 1 31 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.545 0.091 25791 12240 1 31 . 1 1 62 62 GLN H H 62 8.203 8.203 8.610 -0.407 25791 12241 1 31 . 1 1 63 63 ALA N N 63 122.712 122.712 121.988 0.724 25791 12242 1 31 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.124 0.082 25791 12243 1 31 . 1 1 63 63 ALA C C 63 178.922 178.922 178.798 0.124 25791 12244 1 31 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.510 -0.614 25791 12245 1 31 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.236 0.223 25791 12246 1 31 . 1 1 63 63 ALA H H 63 8.004 8.004 7.966 0.038 25791 12247 1 31 . 1 1 64 64 ALA N N 64 120.813 120.813 120.927 -0.114 25791 12248 1 31 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.139 0.093 25791 12249 1 31 . 1 1 64 64 ALA C C 64 178.732 178.732 179.099 -0.367 25791 12250 1 31 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.054 -0.538 25791 12251 1 31 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.176 -0.546 25791 12252 1 31 . 1 1 64 64 ALA H H 64 7.837 7.837 7.616 0.221 25791 12253 1 31 . 1 1 65 65 LEU N N 65 119.196 119.196 118.575 0.621 25791 12254 1 31 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.215 0.042 25791 12255 1 31 . 1 1 65 65 LEU C C 65 178.038 178.038 177.746 0.292 25791 12256 1 31 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.541 -0.719 25791 12257 1 31 . 1 1 65 65 LEU CB C 65 42.264 42.264 41.876 0.389 25791 12258 1 31 . 1 1 65 65 LEU H H 65 7.765 7.765 8.054 -0.289 25791 12259 1 31 . 1 1 66 66 GLN N N 66 119.365 119.365 114.051 5.314 25791 12260 1 31 . 1 1 66 66 GLN HA H 66 4.275 4.275 4.001 0.274 25791 12261 1 31 . 1 1 66 66 GLN C C 66 176.120 176.120 175.989 0.131 25791 12262 1 31 . 1 1 66 66 GLN CA C 66 56.067 56.067 57.005 -0.938 25791 12263 1 31 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.353 2.779 25791 12264 1 31 . 1 1 66 66 GLN H H 66 7.967 7.967 7.948 0.019 25791 12265 1 31 . 1 1 67 67 LYS N N 67 121.521 121.521 118.629 2.892 25791 12266 1 31 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.362 -0.053 25791 12267 1 31 . 1 1 67 67 LYS C C 67 176.437 176.437 176.037 0.400 25791 12268 1 31 . 1 1 67 67 LYS CA C 67 56.389 56.389 55.965 0.424 25791 12269 1 31 . 1 1 67 67 LYS CB C 67 33.041 33.041 32.890 0.151 25791 12270 1 31 . 1 1 67 67 LYS H H 67 8.053 8.053 7.917 0.136 25791 12271 1 31 . 1 1 68 68 GLN N N 68 121.970 121.970 118.073 3.897 25791 12272 1 31 . 1 1 68 68 GLN HA H 68 4.339 4.339 3.879 0.460 25791 12273 1 31 . 1 1 68 68 GLN C C 68 175.120 175.120 174.576 0.544 25791 12274 1 31 . 1 1 68 68 GLN CA C 68 56.000 56.000 57.124 -1.124 25791 12275 1 31 . 1 1 68 68 GLN CB C 68 29.498 29.498 27.070 2.428 25791 12276 1 31 . 1 1 68 68 GLN H H 68 8.314 8.314 8.363 -0.049 25791 12277 1 32 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.443 0.004 25791 12278 1 32 . 1 1 2 2 GLN C C 2 176.144 176.144 176.257 -0.113 25791 12279 1 32 . 1 1 2 2 GLN CA C 2 56.209 56.209 56.413 -0.204 25791 12280 1 32 . 1 1 2 2 GLN CB C 2 29.459 29.459 28.718 0.741 25791 12281 1 32 . 1 1 3 3 GLN N N 3 122.052 122.052 120.972 1.080 25791 12282 1 32 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.030 0.293 25791 12283 1 32 . 1 1 3 3 GLN C C 3 176.988 176.988 177.980 -0.992 25791 12284 1 32 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.873 -1.470 25791 12285 1 32 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.208 1.031 25791 12286 1 32 . 1 1 3 3 GLN H H 3 8.780 8.780 8.565 0.215 25791 12287 1 32 . 1 1 4 4 LYS N N 4 121.855 121.855 119.043 2.812 25791 12288 1 32 . 1 1 4 4 LYS HA H 4 4.004 4.004 3.998 0.006 25791 12289 1 32 . 1 1 4 4 LYS C C 4 177.638 177.638 178.448 -0.810 25791 12290 1 32 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.722 0.517 25791 12291 1 32 . 1 1 4 4 LYS CB C 4 32.699 32.699 31.943 0.756 25791 12292 1 32 . 1 1 4 4 LYS H H 4 8.528 8.528 8.400 0.128 25791 12293 1 32 . 1 1 5 5 GLN N N 5 116.397 116.397 118.051 -1.654 25791 12294 1 32 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.947 -0.006 25791 12295 1 32 . 1 1 5 5 GLN C C 5 178.761 178.761 178.471 0.290 25791 12296 1 32 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.971 0.378 25791 12297 1 32 . 1 1 5 5 GLN CB C 5 27.950 27.950 27.975 -0.025 25791 12298 1 32 . 1 1 5 5 GLN H H 5 8.223 8.223 7.679 0.544 25791 12299 1 32 . 1 1 6 6 GLN N N 6 119.262 119.262 118.855 0.407 25791 12300 1 32 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.087 0.041 25791 12301 1 32 . 1 1 6 6 GLN C C 6 179.018 179.018 178.380 0.638 25791 12302 1 32 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.754 0.335 25791 12303 1 32 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.156 0.554 25791 12304 1 32 . 1 1 6 6 GLN H H 6 7.848 7.848 7.715 0.133 25791 12305 1 32 . 1 1 7 7 ILE N N 7 121.296 121.296 121.716 -0.420 25791 12306 1 32 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.842 -0.259 25791 12307 1 32 . 1 1 7 7 ILE C C 7 177.833 177.833 178.256 -0.423 25791 12308 1 32 . 1 1 7 7 ILE CA C 7 65.129 65.129 63.380 1.749 25791 12309 1 32 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.071 1.135 25791 12310 1 32 . 1 1 7 7 ILE H H 7 8.095 8.095 7.330 0.765 25791 12311 1 32 . 1 1 8 8 MET N N 8 117.603 117.603 119.201 -1.598 25791 12312 1 32 . 1 1 8 8 MET HA H 8 3.985 3.985 4.026 -0.041 25791 12313 1 32 . 1 1 8 8 MET C C 8 177.355 177.355 178.614 -1.259 25791 12314 1 32 . 1 1 8 8 MET CA C 8 59.932 59.932 59.534 0.398 25791 12315 1 32 . 1 1 8 8 MET CB C 8 32.721 32.721 31.962 0.759 25791 12316 1 32 . 1 1 8 8 MET H H 8 8.672 8.672 8.536 0.136 25791 12317 1 32 . 1 1 9 9 ALA N N 9 118.774 118.774 121.465 -2.691 25791 12318 1 32 . 1 1 9 9 ALA HA H 9 4.046 4.046 3.967 0.079 25791 12319 1 32 . 1 1 9 9 ALA C C 9 180.546 180.546 179.244 1.302 25791 12320 1 32 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.319 0.066 25791 12321 1 32 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.903 -0.005 25791 12322 1 32 . 1 1 9 9 ALA H H 9 7.795 7.795 8.628 -0.833 25791 12323 1 32 . 1 1 10 10 ALA N N 10 120.854 120.854 121.477 -0.623 25791 12324 1 32 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.061 0.144 25791 12325 1 32 . 1 1 10 10 ALA C C 10 181.200 181.200 179.481 1.719 25791 12326 1 32 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.694 0.318 25791 12327 1 32 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.510 0.751 25791 12328 1 32 . 1 1 10 10 ALA H H 10 7.438 7.438 7.663 -0.225 25791 12329 1 32 . 1 1 11 11 LEU N N 11 120.775 120.775 118.952 1.823 25791 12330 1 32 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.759 -0.011 25791 12331 1 32 . 1 1 11 11 LEU C C 11 179.041 179.041 179.323 -0.282 25791 12332 1 32 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.833 0.513 25791 12333 1 32 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.311 -1.334 25791 12334 1 32 . 1 1 11 11 LEU H H 11 8.757 8.757 8.630 0.127 25791 12335 1 32 . 1 1 12 12 ASN N N 12 116.313 116.313 116.777 -0.464 25791 12336 1 32 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.601 -0.037 25791 12337 1 32 . 1 1 12 12 ASN C C 12 178.900 178.900 176.758 2.142 25791 12338 1 32 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.526 -1.461 25791 12339 1 32 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.069 -1.076 25791 12340 1 32 . 1 1 12 12 ASN H H 12 8.850 8.850 8.521 0.329 25791 12341 1 32 . 1 1 13 13 SER N N 13 114.747 114.747 114.949 -0.202 25791 12342 1 32 . 1 1 13 13 SER HA H 13 4.370 4.370 4.275 0.095 25791 12343 1 32 . 1 1 13 13 SER C C 13 176.515 176.515 176.781 -0.266 25791 12344 1 32 . 1 1 13 13 SER CA C 13 61.141 61.141 61.650 -0.509 25791 12345 1 32 . 1 1 13 13 SER CB C 13 63.044 63.044 63.378 -0.334 25791 12346 1 32 . 1 1 13 13 SER H H 13 7.672 7.672 7.812 -0.140 25791 12347 1 32 . 1 1 14 14 GLN N N 14 119.954 119.954 119.176 0.778 25791 12348 1 32 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.144 0.074 25791 12349 1 32 . 1 1 14 14 GLN C C 14 178.208 178.208 177.146 1.062 25791 12350 1 32 . 1 1 14 14 GLN CA C 14 57.749 57.749 58.172 -0.423 25791 12351 1 32 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.632 0.068 25791 12352 1 32 . 1 1 14 14 GLN H H 14 7.573 7.573 7.937 -0.364 25791 12353 1 32 . 1 1 15 15 THR N N 15 107.493 107.493 106.597 0.896 25791 12354 1 32 . 1 1 15 15 THR HA H 15 3.899 3.899 4.491 -0.592 25791 12355 1 32 . 1 1 15 15 THR C C 15 174.683 174.683 174.672 0.011 25791 12356 1 32 . 1 1 15 15 THR CA C 15 61.551 61.551 59.724 1.827 25791 12357 1 32 . 1 1 15 15 THR CB C 15 69.226 69.226 69.661 -0.435 25791 12358 1 32 . 1 1 15 15 THR H H 15 7.741 7.741 7.367 0.374 25791 12359 1 32 . 1 1 16 16 ALA N N 16 124.034 124.034 126.155 -2.121 25791 12360 1 32 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.039 0.096 25791 12361 1 32 . 1 1 16 16 ALA C C 16 179.899 179.899 178.591 1.308 25791 12362 1 32 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.725 0.482 25791 12363 1 32 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.187 0.537 25791 12364 1 32 . 1 1 16 16 ALA H H 16 6.873 6.873 7.329 -0.456 25791 12365 1 32 . 1 1 17 17 VAL N N 17 117.150 117.150 117.894 -0.744 25791 12366 1 32 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.771 -0.057 25791 12367 1 32 . 1 1 17 17 VAL C C 17 178.537 178.537 177.386 1.151 25791 12368 1 32 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.177 1.331 25791 12369 1 32 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.279 0.414 25791 12370 1 32 . 1 1 17 17 VAL H H 17 8.162 8.162 8.472 -0.310 25791 12371 1 32 . 1 1 18 18 GLN N N 18 119.489 119.489 119.687 -0.198 25791 12372 1 32 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.028 0.029 25791 12373 1 32 . 1 1 18 18 GLN C C 18 180.429 180.429 178.873 1.556 25791 12374 1 32 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.355 0.345 25791 12375 1 32 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.438 0.748 25791 12376 1 32 . 1 1 18 18 GLN H H 18 8.451 8.451 7.945 0.506 25791 12377 1 32 . 1 1 19 19 PHE N N 19 117.940 117.940 118.713 -0.773 25791 12378 1 32 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.467 0.363 25791 12379 1 32 . 1 1 19 19 PHE C C 19 177.858 177.858 178.279 -0.421 25791 12380 1 32 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.503 -1.474 25791 12381 1 32 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.185 -2.280 25791 12382 1 32 . 1 1 19 19 PHE H H 19 8.924 8.924 8.627 0.297 25791 12383 1 32 . 1 1 20 20 GLN N N 20 120.297 120.297 119.628 0.669 25791 12384 1 32 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.981 0.125 25791 12385 1 32 . 1 1 20 20 GLN C C 20 178.986 178.986 178.684 0.302 25791 12386 1 32 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.646 -0.083 25791 12387 1 32 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.583 -0.688 25791 12388 1 32 . 1 1 20 20 GLN H H 20 8.264 8.264 8.096 0.168 25791 12389 1 32 . 1 1 21 21 GLN N N 21 118.595 118.595 118.995 -0.400 25791 12390 1 32 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.093 -0.011 25791 12391 1 32 . 1 1 21 21 GLN C C 21 178.806 178.806 178.513 0.293 25791 12392 1 32 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.725 0.445 25791 12393 1 32 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.544 -0.348 25791 12394 1 32 . 1 1 21 21 GLN H H 21 8.527 8.527 8.509 0.018 25791 12395 1 32 . 1 1 22 22 TYR N N 22 119.594 119.594 121.711 -2.117 25791 12396 1 32 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.300 -0.053 25791 12397 1 32 . 1 1 22 22 TYR C C 22 177.789 177.789 177.431 0.358 25791 12398 1 32 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.481 1.231 25791 12399 1 32 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.422 0.302 25791 12400 1 32 . 1 1 22 22 TYR H H 22 7.843 7.843 8.091 -0.248 25791 12401 1 32 . 1 1 23 23 ALA N N 23 120.663 120.663 121.282 -0.619 25791 12402 1 32 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.782 0.075 25791 12403 1 32 . 1 1 23 23 ALA C C 23 179.319 179.319 178.724 0.595 25791 12404 1 32 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.897 0.692 25791 12405 1 32 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.178 0.304 25791 12406 1 32 . 1 1 23 23 ALA H H 23 8.612 8.612 8.601 0.011 25791 12407 1 32 . 1 1 24 24 ALA N N 24 119.002 119.002 120.742 -1.740 25791 12408 1 32 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.110 -0.172 25791 12409 1 32 . 1 1 24 24 ALA C C 24 178.987 178.987 179.059 -0.072 25791 12410 1 32 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.073 0.244 25791 12411 1 32 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.527 -0.636 25791 12412 1 32 . 1 1 24 24 ALA H H 24 8.168 8.168 7.957 0.211 25791 12413 1 32 . 1 1 25 25 GLN N N 25 115.599 115.599 116.914 -1.315 25791 12414 1 32 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.004 0.000 25791 12415 1 32 . 1 1 25 25 GLN C C 25 177.818 177.818 178.411 -0.593 25791 12416 1 32 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.047 -0.593 25791 12417 1 32 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.885 -0.430 25791 12418 1 32 . 1 1 25 25 GLN H H 25 7.300 7.300 7.716 -0.416 25791 12419 1 32 . 1 1 26 26 GLN N N 26 116.989 116.989 116.427 0.562 25791 12420 1 32 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.836 -0.132 25791 12421 1 32 . 1 1 26 26 GLN C C 26 175.979 175.979 175.991 -0.012 25791 12422 1 32 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.994 -0.206 25791 12423 1 32 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.386 -0.306 25791 12424 1 32 . 1 1 26 26 GLN H H 26 7.401 7.401 7.417 -0.016 25791 12425 1 32 . 1 1 27 27 TYR N N 27 114.712 114.712 117.635 -2.923 25791 12426 1 32 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.884 0.194 25791 12427 1 32 . 1 1 27 27 TYR C C 27 172.931 172.931 173.671 -0.740 25791 12428 1 32 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.509 0.658 25791 12429 1 32 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.336 1.324 25791 12430 1 32 . 1 1 27 27 TYR H H 27 7.675 7.675 7.996 -0.321 25791 12431 1 32 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.343 0.019 25791 12432 1 32 . 1 1 28 28 PRO C C 28 179.333 179.333 177.973 1.360 25791 12433 1 32 . 1 1 28 28 PRO CA C 28 64.394 64.394 64.041 0.353 25791 12434 1 32 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.370 -1.116 25791 12435 1 32 . 1 1 29 29 GLY N N 29 110.091 110.091 112.058 -1.967 25791 12436 1 32 . 1 1 29 29 GLY C C 29 173.218 173.218 174.699 -1.481 25791 12437 1 32 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.302 0.610 25791 12438 1 32 . 1 1 29 29 GLY H H 29 8.826 8.826 8.721 0.105 25791 12439 1 32 . 1 1 30 30 ASN N N 30 118.603 118.603 121.485 -2.882 25791 12440 1 32 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.922 0.077 25791 12441 1 32 . 1 1 30 30 ASN C C 30 173.977 173.977 175.296 -1.319 25791 12442 1 32 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.010 0.175 25791 12443 1 32 . 1 1 30 30 ASN CB C 30 38.426 38.426 38.018 0.408 25791 12444 1 32 . 1 1 30 30 ASN H H 30 7.293 7.293 7.649 -0.356 25791 12445 1 32 . 1 1 31 31 TYR N N 31 125.240 125.240 128.081 -2.841 25791 12446 1 32 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.111 -0.213 25791 12447 1 32 . 1 1 31 31 TYR C C 31 177.343 177.343 176.911 0.432 25791 12448 1 32 . 1 1 31 31 TYR CA C 31 61.811 61.811 61.911 -0.100 25791 12449 1 32 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.586 -0.229 25791 12450 1 32 . 1 1 31 31 TYR H H 31 8.509 8.509 8.217 0.292 25791 12451 1 32 . 1 1 32 32 GLU N N 32 118.993 118.993 118.523 0.470 25791 12452 1 32 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.760 0.140 25791 12453 1 32 . 1 1 32 32 GLU C C 32 179.549 179.549 178.903 0.646 25791 12454 1 32 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.594 0.517 25791 12455 1 32 . 1 1 32 32 GLU CB C 32 29.168 29.168 29.230 -0.062 25791 12456 1 32 . 1 1 32 32 GLU H H 32 8.714 8.714 8.339 0.375 25791 12457 1 32 . 1 1 33 33 GLN N N 33 117.037 117.037 118.385 -1.348 25791 12458 1 32 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.816 -0.083 25791 12459 1 32 . 1 1 33 33 GLN C C 33 179.119 179.119 178.613 0.506 25791 12460 1 32 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.132 -0.430 25791 12461 1 32 . 1 1 33 33 GLN CB C 33 27.626 27.626 28.069 -0.443 25791 12462 1 32 . 1 1 33 33 GLN H H 33 7.536 7.536 8.285 -0.749 25791 12463 1 32 . 1 1 34 34 GLN N N 34 117.723 117.723 119.639 -1.916 25791 12464 1 32 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.012 -0.201 25791 12465 1 32 . 1 1 34 34 GLN C C 34 177.634 177.634 178.516 -0.882 25791 12466 1 32 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.387 0.778 25791 12467 1 32 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.532 -1.032 25791 12468 1 32 . 1 1 34 34 GLN H H 34 7.968 7.968 8.330 -0.362 25791 12469 1 32 . 1 1 35 35 GLN N N 35 115.293 115.293 118.908 -3.615 25791 12470 1 32 . 1 1 35 35 GLN HA H 35 3.791 3.791 3.939 -0.148 25791 12471 1 32 . 1 1 35 35 GLN C C 35 178.757 178.757 178.600 0.157 25791 12472 1 32 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.456 0.154 25791 12473 1 32 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.146 0.059 25791 12474 1 32 . 1 1 35 35 GLN H H 35 7.870 7.870 7.948 -0.078 25791 12475 1 32 . 1 1 36 36 ILE N N 36 120.769 120.769 120.479 0.290 25791 12476 1 32 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.621 -0.057 25791 12477 1 32 . 1 1 36 36 ILE C C 36 178.273 178.273 178.154 0.119 25791 12478 1 32 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.178 0.058 25791 12479 1 32 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.646 0.727 25791 12480 1 32 . 1 1 36 36 ILE H H 36 7.503 7.503 7.976 -0.473 25791 12481 1 32 . 1 1 37 37 LEU N N 37 121.056 121.056 121.312 -0.256 25791 12482 1 32 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.042 0.267 25791 12483 1 32 . 1 1 37 37 LEU C C 37 178.348 178.348 178.212 0.136 25791 12484 1 32 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.783 -0.049 25791 12485 1 32 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.746 -0.230 25791 12486 1 32 . 1 1 37 37 LEU H H 37 7.678 7.678 7.808 -0.130 25791 12487 1 32 . 1 1 38 38 ILE N N 38 119.334 119.334 119.683 -0.349 25791 12488 1 32 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.420 -0.079 25791 12489 1 32 . 1 1 38 38 ILE C C 38 177.371 177.371 177.899 -0.528 25791 12490 1 32 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.657 1.428 25791 12491 1 32 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.500 0.849 25791 12492 1 32 . 1 1 38 38 ILE H H 38 8.702 8.702 8.508 0.194 25791 12493 1 32 . 1 1 39 39 ARG N N 39 117.798 117.798 119.821 -2.023 25791 12494 1 32 . 1 1 39 39 ARG HA H 39 4.215 4.215 3.962 0.253 25791 12495 1 32 . 1 1 39 39 ARG C C 39 179.555 179.555 179.097 0.458 25791 12496 1 32 . 1 1 39 39 ARG CA C 39 59.459 59.459 60.156 -0.696 25791 12497 1 32 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.934 -0.182 25791 12498 1 32 . 1 1 39 39 ARG H H 39 7.739 7.739 8.314 -0.575 25791 12499 1 32 . 1 1 40 40 GLN N N 40 119.432 119.432 118.832 0.600 25791 12500 1 32 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.042 0.095 25791 12501 1 32 . 1 1 40 40 GLN C C 40 179.522 179.522 178.628 0.894 25791 12502 1 32 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.953 0.307 25791 12503 1 32 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.709 -0.351 25791 12504 1 32 . 1 1 40 40 GLN H H 40 7.811 7.811 7.579 0.232 25791 12505 1 32 . 1 1 41 41 LEU N N 41 121.592 121.592 120.254 1.338 25791 12506 1 32 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.682 0.005 25791 12507 1 32 . 1 1 41 41 LEU C C 41 178.974 178.974 179.040 -0.066 25791 12508 1 32 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.632 0.332 25791 12509 1 32 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.866 -1.014 25791 12510 1 32 . 1 1 41 41 LEU H H 41 8.648 8.648 8.200 0.448 25791 12511 1 32 . 1 1 42 42 GLN N N 42 119.054 119.054 118.456 0.598 25791 12512 1 32 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.362 0.182 25791 12513 1 32 . 1 1 42 42 GLN C C 42 180.176 180.176 178.766 1.410 25791 12514 1 32 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.292 -0.058 25791 12515 1 32 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.932 -1.012 25791 12516 1 32 . 1 1 42 42 GLN H H 42 8.641 8.641 8.526 0.115 25791 12517 1 32 . 1 1 43 43 GLU N N 43 121.517 121.517 121.507 0.010 25791 12518 1 32 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.037 0.199 25791 12519 1 32 . 1 1 43 43 GLU C C 43 179.721 179.721 179.029 0.692 25791 12520 1 32 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.790 -0.123 25791 12521 1 32 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.534 -0.276 25791 12522 1 32 . 1 1 43 43 GLU H H 43 8.111 8.111 8.245 -0.134 25791 12523 1 32 . 1 1 44 44 GLN N N 44 119.240 119.240 117.886 1.354 25791 12524 1 32 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.054 0.062 25791 12525 1 32 . 1 1 44 44 GLN C C 44 179.012 179.012 178.347 0.665 25791 12526 1 32 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.991 0.158 25791 12527 1 32 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.771 0.083 25791 12528 1 32 . 1 1 44 44 GLN H H 44 8.372 8.372 8.213 0.159 25791 12529 1 32 . 1 1 45 45 HIS N N 45 121.705 121.705 121.093 0.612 25791 12530 1 32 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.289 -0.009 25791 12531 1 32 . 1 1 45 45 HIS C C 45 176.395 176.395 177.336 -0.941 25791 12532 1 32 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.153 1.206 25791 12533 1 32 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.524 1.801 25791 12534 1 32 . 1 1 45 45 HIS H H 45 9.472 9.472 8.187 1.285 25791 12535 1 32 . 1 1 46 46 TYR N N 46 119.039 119.039 120.585 -1.546 25791 12536 1 32 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.100 -0.251 25791 12537 1 32 . 1 1 46 46 TYR C C 46 176.664 176.664 178.040 -1.376 25791 12538 1 32 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.768 0.483 25791 12539 1 32 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.412 -0.740 25791 12540 1 32 . 1 1 46 46 TYR H H 46 8.253 8.253 8.561 -0.308 25791 12541 1 32 . 1 1 47 47 GLN N N 47 116.407 116.407 117.528 -1.121 25791 12542 1 32 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.756 0.028 25791 12543 1 32 . 1 1 47 47 GLN C C 47 179.048 179.048 178.571 0.477 25791 12544 1 32 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.292 -0.343 25791 12545 1 32 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.149 0.032 25791 12546 1 32 . 1 1 47 47 GLN H H 47 7.814 7.814 8.354 -0.540 25791 12547 1 32 . 1 1 48 48 GLN N N 48 119.803 119.803 119.601 0.202 25791 12548 1 32 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.093 -0.116 25791 12549 1 32 . 1 1 48 48 GLN C C 48 177.741 177.741 178.310 -0.569 25791 12550 1 32 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.316 -0.002 25791 12551 1 32 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.415 -0.087 25791 12552 1 32 . 1 1 48 48 GLN H H 48 8.645 8.645 8.535 0.110 25791 12553 1 32 . 1 1 49 49 TYR N N 49 121.342 121.342 121.449 -0.107 25791 12554 1 32 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.185 -0.545 25791 12555 1 32 . 1 1 49 49 TYR C C 49 176.021 176.021 177.555 -1.534 25791 12556 1 32 . 1 1 49 49 TYR CA C 49 62.109 62.109 60.983 1.126 25791 12557 1 32 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.247 0.660 25791 12558 1 32 . 1 1 49 49 TYR H H 49 9.105 9.105 8.499 0.606 25791 12559 1 32 . 1 1 50 50 MET N N 50 115.522 115.522 118.399 -2.877 25791 12560 1 32 . 1 1 50 50 MET HA H 50 4.040 4.040 3.491 0.549 25791 12561 1 32 . 1 1 50 50 MET C C 50 179.841 179.841 178.282 1.559 25791 12562 1 32 . 1 1 50 50 MET CA C 50 56.623 56.623 58.574 -1.951 25791 12563 1 32 . 1 1 50 50 MET CB C 50 30.099 30.099 32.126 -2.027 25791 12564 1 32 . 1 1 50 50 MET H H 50 8.060 8.060 8.329 -0.269 25791 12565 1 32 . 1 1 51 51 GLN N N 51 118.942 118.942 117.671 1.271 25791 12566 1 32 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.953 0.112 25791 12567 1 32 . 1 1 51 51 GLN C C 51 178.707 178.707 178.803 -0.096 25791 12568 1 32 . 1 1 51 51 GLN CA C 51 58.941 58.941 58.744 0.197 25791 12569 1 32 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.005 0.484 25791 12570 1 32 . 1 1 51 51 GLN H H 51 7.830 7.830 7.920 -0.090 25791 12571 1 32 . 1 1 52 52 GLN N N 52 119.210 119.210 119.844 -0.634 25791 12572 1 32 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.143 -0.086 25791 12573 1 32 . 1 1 52 52 GLN C C 52 178.738 178.738 178.589 0.149 25791 12574 1 32 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.057 0.692 25791 12575 1 32 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.652 -0.249 25791 12576 1 32 . 1 1 52 52 GLN H H 52 8.187 8.187 7.798 0.389 25791 12577 1 32 . 1 1 53 53 LEU N N 53 121.233 121.233 121.669 -0.436 25791 12578 1 32 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.898 -0.057 25791 12579 1 32 . 1 1 53 53 LEU C C 53 179.191 179.191 178.191 1.000 25791 12580 1 32 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.765 -0.020 25791 12581 1 32 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.206 0.659 25791 12582 1 32 . 1 1 53 53 LEU H H 53 8.441 8.441 8.177 0.264 25791 12583 1 32 . 1 1 54 54 TYR N N 54 118.505 118.505 118.836 -0.331 25791 12584 1 32 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.903 0.415 25791 12585 1 32 . 1 1 54 54 TYR C C 54 177.535 177.535 177.584 -0.049 25791 12586 1 32 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.358 -1.881 25791 12587 1 32 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.203 -0.417 25791 12588 1 32 . 1 1 54 54 TYR H H 54 7.819 7.819 8.314 -0.495 25791 12589 1 32 . 1 1 55 55 GLN N N 55 117.299 117.299 117.959 -0.660 25791 12590 1 32 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.074 -0.175 25791 12591 1 32 . 1 1 55 55 GLN C C 55 179.041 179.041 178.392 0.649 25791 12592 1 32 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.925 -0.216 25791 12593 1 32 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.582 -0.367 25791 12594 1 32 . 1 1 55 55 GLN H H 55 7.735 7.735 7.710 0.025 25791 12595 1 32 . 1 1 56 56 VAL N N 56 120.879 120.879 120.291 0.588 25791 12596 1 32 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.575 0.217 25791 12597 1 32 . 1 1 56 56 VAL C C 56 178.262 178.262 177.820 0.442 25791 12598 1 32 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.438 -0.496 25791 12599 1 32 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.762 0.117 25791 12600 1 32 . 1 1 56 56 VAL H H 56 8.014 8.014 7.807 0.207 25791 12601 1 32 . 1 1 57 57 GLN N N 57 120.513 120.513 119.557 0.956 25791 12602 1 32 . 1 1 57 57 GLN HA H 57 4.060 4.060 4.014 0.046 25791 12603 1 32 . 1 1 57 57 GLN C C 57 178.772 178.772 178.195 0.577 25791 12604 1 32 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.359 0.257 25791 12605 1 32 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.874 0.111 25791 12606 1 32 . 1 1 57 57 GLN H H 57 8.103 8.103 8.253 -0.150 25791 12607 1 32 . 1 1 58 58 LEU N N 58 121.244 121.244 122.505 -1.261 25791 12608 1 32 . 1 1 58 58 LEU HA H 58 4.005 4.005 4.150 -0.145 25791 12609 1 32 . 1 1 58 58 LEU C C 58 179.134 179.134 178.377 0.757 25791 12610 1 32 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.066 0.440 25791 12611 1 32 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.463 0.340 25791 12612 1 32 . 1 1 58 58 LEU H H 58 8.176 8.176 7.926 0.250 25791 12613 1 32 . 1 1 59 59 ALA N N 59 121.608 121.608 121.265 0.343 25791 12614 1 32 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.902 0.263 25791 12615 1 32 . 1 1 59 59 ALA C C 59 180.497 180.497 179.863 0.634 25791 12616 1 32 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.239 -0.657 25791 12617 1 32 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.099 -0.045 25791 12618 1 32 . 1 1 59 59 ALA H H 59 7.833 7.833 8.052 -0.219 25791 12619 1 32 . 1 1 60 60 GLN N N 60 118.335 118.335 117.802 0.533 25791 12620 1 32 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.893 0.255 25791 12621 1 32 . 1 1 60 60 GLN C C 60 178.334 178.334 178.486 -0.152 25791 12622 1 32 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.814 -0.837 25791 12623 1 32 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.606 -0.171 25791 12624 1 32 . 1 1 60 60 GLN H H 60 8.081 8.081 7.824 0.257 25791 12625 1 32 . 1 1 61 61 GLN N N 61 120.206 120.206 119.479 0.727 25791 12626 1 32 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.974 0.188 25791 12627 1 32 . 1 1 61 61 GLN C C 61 178.002 178.002 178.609 -0.607 25791 12628 1 32 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.768 -0.863 25791 12629 1 32 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.546 0.033 25791 12630 1 32 . 1 1 61 61 GLN H H 61 8.111 8.111 7.976 0.135 25791 12631 1 32 . 1 1 62 62 GLN N N 62 118.980 118.980 118.828 0.152 25791 12632 1 32 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.001 0.128 25791 12633 1 32 . 1 1 62 62 GLN C C 62 177.624 177.624 178.277 -0.653 25791 12634 1 32 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.936 -1.300 25791 12635 1 32 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.518 0.117 25791 12636 1 32 . 1 1 62 62 GLN H H 62 8.203 8.203 8.433 -0.230 25791 12637 1 32 . 1 1 63 63 ALA N N 63 122.712 122.712 121.433 1.279 25791 12638 1 32 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.183 0.023 25791 12639 1 32 . 1 1 63 63 ALA C C 63 178.922 178.922 178.740 0.182 25791 12640 1 32 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.246 -0.350 25791 12641 1 32 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.128 0.331 25791 12642 1 32 . 1 1 63 63 ALA H H 63 8.004 8.004 7.951 0.053 25791 12643 1 32 . 1 1 64 64 ALA N N 64 120.813 120.813 120.640 0.173 25791 12644 1 32 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.181 0.051 25791 12645 1 32 . 1 1 64 64 ALA C C 64 178.732 178.732 178.384 0.348 25791 12646 1 32 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.103 -0.587 25791 12647 1 32 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.166 -0.536 25791 12648 1 32 . 1 1 64 64 ALA H H 64 7.837 7.837 7.721 0.116 25791 12649 1 32 . 1 1 65 65 LEU N N 65 119.196 119.196 118.927 0.269 25791 12650 1 32 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.298 -0.041 25791 12651 1 32 . 1 1 65 65 LEU C C 65 178.038 178.038 177.589 0.449 25791 12652 1 32 . 1 1 65 65 LEU CA C 65 55.822 55.822 55.740 0.082 25791 12653 1 32 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.197 0.067 25791 12654 1 32 . 1 1 65 65 LEU H H 65 7.765 7.765 7.316 0.449 25791 12655 1 32 . 1 1 66 66 GLN N N 66 119.365 119.365 115.839 3.526 25791 12656 1 32 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.874 0.401 25791 12657 1 32 . 1 1 66 66 GLN C C 66 176.120 176.120 175.600 0.520 25791 12658 1 32 . 1 1 66 66 GLN CA C 66 56.067 56.067 57.039 -0.972 25791 12659 1 32 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.705 2.427 25791 12660 1 32 . 1 1 66 66 GLN H H 66 7.967 7.967 8.490 -0.523 25791 12661 1 32 . 1 1 67 67 LYS N N 67 121.521 121.521 117.556 3.965 25791 12662 1 32 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.383 -0.074 25791 12663 1 32 . 1 1 67 67 LYS C C 67 176.437 176.437 174.938 1.499 25791 12664 1 32 . 1 1 67 67 LYS CA C 67 56.389 56.389 56.098 0.291 25791 12665 1 32 . 1 1 67 67 LYS CB C 67 33.041 33.041 33.373 -0.332 25791 12666 1 32 . 1 1 67 67 LYS H H 67 8.053 8.053 8.192 -0.139 25791 12667 1 32 . 1 1 68 68 GLN N N 68 121.970 121.970 118.899 3.071 25791 12668 1 32 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.495 -0.156 25791 12669 1 32 . 1 1 68 68 GLN C C 68 175.120 175.120 175.356 -0.236 25791 12670 1 32 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.682 0.318 25791 12671 1 32 . 1 1 68 68 GLN CB C 68 29.498 29.498 29.765 -0.267 25791 12672 1 32 . 1 1 68 68 GLN H H 68 8.314 8.314 8.063 0.251 25791 12673 1 33 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.334 0.113 25791 12674 1 33 . 1 1 2 2 GLN C C 2 176.144 176.144 176.955 -0.811 25791 12675 1 33 . 1 1 2 2 GLN CA C 2 56.209 56.209 55.907 0.302 25791 12676 1 33 . 1 1 2 2 GLN CB C 2 29.459 29.459 28.570 0.889 25791 12677 1 33 . 1 1 3 3 GLN N N 3 122.052 122.052 118.711 3.341 25791 12678 1 33 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.017 0.306 25791 12679 1 33 . 1 1 3 3 GLN C C 3 176.988 176.988 177.230 -0.242 25791 12680 1 33 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.235 -0.832 25791 12681 1 33 . 1 1 3 3 GLN CB C 3 29.239 29.239 27.992 1.247 25791 12682 1 33 . 1 1 3 3 GLN H H 3 8.780 8.780 8.516 0.264 25791 12683 1 33 . 1 1 4 4 LYS N N 4 121.855 121.855 120.943 0.912 25791 12684 1 33 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.030 -0.026 25791 12685 1 33 . 1 1 4 4 LYS C C 4 177.638 177.638 178.526 -0.888 25791 12686 1 33 . 1 1 4 4 LYS CA C 4 60.239 60.239 58.965 1.274 25791 12687 1 33 . 1 1 4 4 LYS CB C 4 32.699 32.699 31.980 0.720 25791 12688 1 33 . 1 1 4 4 LYS H H 4 8.528 8.528 8.053 0.475 25791 12689 1 33 . 1 1 5 5 GLN N N 5 116.397 116.397 117.771 -1.374 25791 12690 1 33 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.892 0.049 25791 12691 1 33 . 1 1 5 5 GLN C C 5 178.761 178.761 178.282 0.479 25791 12692 1 33 . 1 1 5 5 GLN CA C 5 59.349 59.349 59.233 0.115 25791 12693 1 33 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.465 -0.515 25791 12694 1 33 . 1 1 5 5 GLN H H 5 8.223 8.223 8.104 0.119 25791 12695 1 33 . 1 1 6 6 GLN N N 6 119.262 119.262 118.765 0.497 25791 12696 1 33 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.125 0.003 25791 12697 1 33 . 1 1 6 6 GLN C C 6 179.018 179.018 178.300 0.718 25791 12698 1 33 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.428 0.660 25791 12699 1 33 . 1 1 6 6 GLN CB C 6 28.710 28.710 27.951 0.759 25791 12700 1 33 . 1 1 6 6 GLN H H 6 7.848 7.848 7.942 -0.094 25791 12701 1 33 . 1 1 7 7 ILE N N 7 121.296 121.296 121.840 -0.544 25791 12702 1 33 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.818 -0.235 25791 12703 1 33 . 1 1 7 7 ILE C C 7 177.833 177.833 178.133 -0.300 25791 12704 1 33 . 1 1 7 7 ILE CA C 7 65.129 65.129 63.174 1.955 25791 12705 1 33 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.082 1.124 25791 12706 1 33 . 1 1 7 7 ILE H H 7 8.095 8.095 7.318 0.777 25791 12707 1 33 . 1 1 8 8 MET N N 8 117.603 117.603 119.293 -1.690 25791 12708 1 33 . 1 1 8 8 MET HA H 8 3.985 3.985 4.000 -0.015 25791 12709 1 33 . 1 1 8 8 MET C C 8 177.355 177.355 178.843 -1.488 25791 12710 1 33 . 1 1 8 8 MET CA C 8 59.932 59.932 59.805 0.127 25791 12711 1 33 . 1 1 8 8 MET CB C 8 32.721 32.721 32.073 0.648 25791 12712 1 33 . 1 1 8 8 MET H H 8 8.672 8.672 8.409 0.263 25791 12713 1 33 . 1 1 9 9 ALA N N 9 118.774 118.774 121.239 -2.465 25791 12714 1 33 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.023 0.023 25791 12715 1 33 . 1 1 9 9 ALA C C 9 180.546 180.546 179.249 1.297 25791 12716 1 33 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.011 0.374 25791 12717 1 33 . 1 1 9 9 ALA CB C 9 17.898 17.898 18.116 -0.218 25791 12718 1 33 . 1 1 9 9 ALA H H 9 7.795 7.795 8.284 -0.489 25791 12719 1 33 . 1 1 10 10 ALA N N 10 120.854 120.854 121.534 -0.680 25791 12720 1 33 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.105 0.100 25791 12721 1 33 . 1 1 10 10 ALA C C 10 181.200 181.200 179.580 1.620 25791 12722 1 33 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.741 0.271 25791 12723 1 33 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.305 0.956 25791 12724 1 33 . 1 1 10 10 ALA H H 10 7.438 7.438 7.515 -0.077 25791 12725 1 33 . 1 1 11 11 LEU N N 11 120.775 120.775 118.746 2.029 25791 12726 1 33 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.784 -0.036 25791 12727 1 33 . 1 1 11 11 LEU C C 11 179.041 179.041 179.273 -0.232 25791 12728 1 33 . 1 1 11 11 LEU CA C 11 58.346 58.346 58.019 0.327 25791 12729 1 33 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.329 -1.352 25791 12730 1 33 . 1 1 11 11 LEU H H 11 8.757 8.757 8.505 0.252 25791 12731 1 33 . 1 1 12 12 ASN N N 12 116.313 116.313 117.631 -1.318 25791 12732 1 33 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.544 0.020 25791 12733 1 33 . 1 1 12 12 ASN C C 12 178.900 178.900 177.425 1.475 25791 12734 1 33 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.923 -1.858 25791 12735 1 33 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.542 -1.549 25791 12736 1 33 . 1 1 12 12 ASN H H 12 8.850 8.850 8.630 0.220 25791 12737 1 33 . 1 1 13 13 SER N N 13 114.747 114.747 116.073 -1.326 25791 12738 1 33 . 1 1 13 13 SER HA H 13 4.370 4.370 4.121 0.249 25791 12739 1 33 . 1 1 13 13 SER C C 13 176.515 176.515 177.042 -0.527 25791 12740 1 33 . 1 1 13 13 SER CA C 13 61.141 61.141 61.278 -0.137 25791 12741 1 33 . 1 1 13 13 SER CB C 13 63.044 63.044 63.095 -0.051 25791 12742 1 33 . 1 1 13 13 SER H H 13 7.672 7.672 7.747 -0.075 25791 12743 1 33 . 1 1 14 14 GLN N N 14 119.954 119.954 117.375 2.579 25791 12744 1 33 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.225 -0.007 25791 12745 1 33 . 1 1 14 14 GLN C C 14 178.208 178.208 176.395 1.813 25791 12746 1 33 . 1 1 14 14 GLN CA C 14 57.749 57.749 57.866 -0.117 25791 12747 1 33 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.928 -0.228 25791 12748 1 33 . 1 1 14 14 GLN H H 14 7.573 7.573 7.831 -0.258 25791 12749 1 33 . 1 1 15 15 THR N N 15 107.493 107.493 107.182 0.311 25791 12750 1 33 . 1 1 15 15 THR HA H 15 3.899 3.899 4.296 -0.397 25791 12751 1 33 . 1 1 15 15 THR C C 15 174.683 174.683 174.757 -0.074 25791 12752 1 33 . 1 1 15 15 THR CA C 15 61.551 61.551 60.920 0.631 25791 12753 1 33 . 1 1 15 15 THR CB C 15 69.226 69.226 69.308 -0.082 25791 12754 1 33 . 1 1 15 15 THR H H 15 7.741 7.741 7.136 0.605 25791 12755 1 33 . 1 1 16 16 ALA N N 16 124.034 124.034 126.202 -2.168 25791 12756 1 33 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.072 0.063 25791 12757 1 33 . 1 1 16 16 ALA C C 16 179.899 179.899 178.596 1.303 25791 12758 1 33 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.620 0.587 25791 12759 1 33 . 1 1 16 16 ALA CB C 16 18.724 18.724 17.793 0.931 25791 12760 1 33 . 1 1 16 16 ALA H H 16 6.873 6.873 7.846 -0.973 25791 12761 1 33 . 1 1 17 17 VAL N N 17 117.150 117.150 117.532 -0.382 25791 12762 1 33 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.780 -0.066 25791 12763 1 33 . 1 1 17 17 VAL C C 17 178.537 178.537 177.503 1.034 25791 12764 1 33 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.059 1.449 25791 12765 1 33 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.334 0.359 25791 12766 1 33 . 1 1 17 17 VAL H H 17 8.162 8.162 8.468 -0.306 25791 12767 1 33 . 1 1 18 18 GLN N N 18 119.489 119.489 119.646 -0.157 25791 12768 1 33 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.041 0.016 25791 12769 1 33 . 1 1 18 18 GLN C C 18 180.429 180.429 178.849 1.580 25791 12770 1 33 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.300 0.399 25791 12771 1 33 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.469 0.717 25791 12772 1 33 . 1 1 18 18 GLN H H 18 8.451 8.451 7.856 0.595 25791 12773 1 33 . 1 1 19 19 PHE N N 19 117.940 117.940 119.180 -1.240 25791 12774 1 33 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.431 0.399 25791 12775 1 33 . 1 1 19 19 PHE C C 19 177.858 177.858 178.269 -0.411 25791 12776 1 33 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.892 -1.863 25791 12777 1 33 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.169 -2.264 25791 12778 1 33 . 1 1 19 19 PHE H H 19 8.924 8.924 8.561 0.363 25791 12779 1 33 . 1 1 20 20 GLN N N 20 120.297 120.297 119.196 1.101 25791 12780 1 33 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.974 0.132 25791 12781 1 33 . 1 1 20 20 GLN C C 20 178.986 178.986 178.712 0.274 25791 12782 1 33 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.706 -0.143 25791 12783 1 33 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.512 -0.617 25791 12784 1 33 . 1 1 20 20 GLN H H 20 8.264 8.264 8.603 -0.339 25791 12785 1 33 . 1 1 21 21 GLN N N 21 118.595 118.595 119.222 -0.627 25791 12786 1 33 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.075 0.007 25791 12787 1 33 . 1 1 21 21 GLN C C 21 178.806 178.806 178.684 0.122 25791 12788 1 33 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.944 0.226 25791 12789 1 33 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.852 -0.656 25791 12790 1 33 . 1 1 21 21 GLN H H 21 8.527 8.527 8.100 0.427 25791 12791 1 33 . 1 1 22 22 TYR N N 22 119.594 119.594 121.033 -1.439 25791 12792 1 33 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.243 0.004 25791 12793 1 33 . 1 1 22 22 TYR C C 22 177.789 177.789 177.042 0.747 25791 12794 1 33 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.219 1.493 25791 12795 1 33 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.409 0.315 25791 12796 1 33 . 1 1 22 22 TYR H H 22 7.843 7.843 7.963 -0.120 25791 12797 1 33 . 1 1 23 23 ALA N N 23 120.663 120.663 121.625 -0.962 25791 12798 1 33 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.750 0.107 25791 12799 1 33 . 1 1 23 23 ALA C C 23 179.319 179.319 178.736 0.583 25791 12800 1 33 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.965 0.624 25791 12801 1 33 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.217 0.265 25791 12802 1 33 . 1 1 23 23 ALA H H 23 8.612 8.612 8.724 -0.112 25791 12803 1 33 . 1 1 24 24 ALA N N 24 119.002 119.002 120.406 -1.404 25791 12804 1 33 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.121 -0.183 25791 12805 1 33 . 1 1 24 24 ALA C C 24 178.987 178.987 178.824 0.163 25791 12806 1 33 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.121 0.196 25791 12807 1 33 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.429 -0.538 25791 12808 1 33 . 1 1 24 24 ALA H H 24 8.168 8.168 8.196 -0.028 25791 12809 1 33 . 1 1 25 25 GLN N N 25 115.599 115.599 116.703 -1.104 25791 12810 1 33 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.066 -0.062 25791 12811 1 33 . 1 1 25 25 GLN C C 25 177.818 177.818 178.048 -0.230 25791 12812 1 33 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.108 -0.655 25791 12813 1 33 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.950 -0.495 25791 12814 1 33 . 1 1 25 25 GLN H H 25 7.300 7.300 7.537 -0.237 25791 12815 1 33 . 1 1 26 26 GLN N N 26 116.989 116.989 116.464 0.525 25791 12816 1 33 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.893 -0.189 25791 12817 1 33 . 1 1 26 26 GLN C C 26 175.979 175.979 175.898 0.081 25791 12818 1 33 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.800 -0.012 25791 12819 1 33 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.884 -0.805 25791 12820 1 33 . 1 1 26 26 GLN H H 26 7.401 7.401 7.315 0.086 25791 12821 1 33 . 1 1 27 27 TYR N N 27 114.712 114.712 117.239 -2.527 25791 12822 1 33 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.928 0.150 25791 12823 1 33 . 1 1 27 27 TYR C C 27 172.931 172.931 173.508 -0.577 25791 12824 1 33 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.939 0.228 25791 12825 1 33 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.748 0.912 25791 12826 1 33 . 1 1 27 27 TYR H H 27 7.675 7.675 8.134 -0.459 25791 12827 1 33 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.334 0.028 25791 12828 1 33 . 1 1 28 28 PRO C C 28 179.333 179.333 177.881 1.452 25791 12829 1 33 . 1 1 28 28 PRO CA C 28 64.394 64.394 64.380 0.014 25791 12830 1 33 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.205 -0.951 25791 12831 1 33 . 1 1 29 29 GLY N N 29 110.091 110.091 113.485 -3.394 25791 12832 1 33 . 1 1 29 29 GLY C C 29 173.218 173.218 174.636 -1.418 25791 12833 1 33 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.327 0.585 25791 12834 1 33 . 1 1 29 29 GLY H H 29 8.826 8.826 8.717 0.109 25791 12835 1 33 . 1 1 30 30 ASN N N 30 118.603 118.603 122.226 -3.623 25791 12836 1 33 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.979 0.020 25791 12837 1 33 . 1 1 30 30 ASN C C 30 173.977 173.977 174.977 -1.000 25791 12838 1 33 . 1 1 30 30 ASN CA C 30 51.185 51.185 52.071 -0.886 25791 12839 1 33 . 1 1 30 30 ASN CB C 30 38.426 38.426 37.845 0.581 25791 12840 1 33 . 1 1 30 30 ASN H H 30 7.293 7.293 7.805 -0.512 25791 12841 1 33 . 1 1 31 31 TYR N N 31 125.240 125.240 125.701 -0.461 25791 12842 1 33 . 1 1 31 31 TYR HA H 31 3.898 3.898 3.962 -0.064 25791 12843 1 33 . 1 1 31 31 TYR C C 31 177.343 177.343 177.014 0.329 25791 12844 1 33 . 1 1 31 31 TYR CA C 31 61.811 61.811 63.444 -1.633 25791 12845 1 33 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.969 -0.613 25791 12846 1 33 . 1 1 31 31 TYR H H 31 8.509 8.509 7.870 0.639 25791 12847 1 33 . 1 1 32 32 GLU N N 32 118.993 118.993 117.833 1.160 25791 12848 1 33 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.745 0.155 25791 12849 1 33 . 1 1 32 32 GLU C C 32 179.549 179.549 178.663 0.886 25791 12850 1 33 . 1 1 32 32 GLU CA C 32 60.112 60.112 60.019 0.093 25791 12851 1 33 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.806 0.362 25791 12852 1 33 . 1 1 32 32 GLU H H 32 8.714 8.714 8.764 -0.050 25791 12853 1 33 . 1 1 33 33 GLN N N 33 117.037 117.037 117.870 -0.833 25791 12854 1 33 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.774 -0.041 25791 12855 1 33 . 1 1 33 33 GLN C C 33 179.119 179.119 178.529 0.590 25791 12856 1 33 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.448 -0.746 25791 12857 1 33 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.544 0.082 25791 12858 1 33 . 1 1 33 33 GLN H H 33 7.536 7.536 8.303 -0.767 25791 12859 1 33 . 1 1 34 34 GLN N N 34 117.723 117.723 119.458 -1.735 25791 12860 1 33 . 1 1 34 34 GLN HA H 34 3.811 3.811 3.992 -0.181 25791 12861 1 33 . 1 1 34 34 GLN C C 34 177.634 177.634 178.535 -0.901 25791 12862 1 33 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.303 0.862 25791 12863 1 33 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.513 -1.012 25791 12864 1 33 . 1 1 34 34 GLN H H 34 7.968 7.968 8.279 -0.311 25791 12865 1 33 . 1 1 35 35 GLN N N 35 115.293 115.293 118.855 -3.562 25791 12866 1 33 . 1 1 35 35 GLN HA H 35 3.791 3.791 3.938 -0.147 25791 12867 1 33 . 1 1 35 35 GLN C C 35 178.757 178.757 178.609 0.148 25791 12868 1 33 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.435 0.175 25791 12869 1 33 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.182 0.023 25791 12870 1 33 . 1 1 35 35 GLN H H 35 7.870 7.870 7.923 -0.053 25791 12871 1 33 . 1 1 36 36 ILE N N 36 120.769 120.769 120.473 0.296 25791 12872 1 33 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.621 -0.057 25791 12873 1 33 . 1 1 36 36 ILE C C 36 178.273 178.273 178.127 0.146 25791 12874 1 33 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.227 0.009 25791 12875 1 33 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.655 0.718 25791 12876 1 33 . 1 1 36 36 ILE H H 36 7.503 7.503 8.161 -0.658 25791 12877 1 33 . 1 1 37 37 LEU N N 37 121.056 121.056 121.392 -0.336 25791 12878 1 33 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.039 0.270 25791 12879 1 33 . 1 1 37 37 LEU C C 37 178.348 178.348 178.158 0.190 25791 12880 1 33 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.801 -0.067 25791 12881 1 33 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.697 -0.181 25791 12882 1 33 . 1 1 37 37 LEU H H 37 7.678 7.678 7.722 -0.044 25791 12883 1 33 . 1 1 38 38 ILE N N 38 119.334 119.334 119.914 -0.580 25791 12884 1 33 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.424 -0.083 25791 12885 1 33 . 1 1 38 38 ILE C C 38 177.371 177.371 177.958 -0.587 25791 12886 1 33 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.767 1.318 25791 12887 1 33 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.522 0.827 25791 12888 1 33 . 1 1 38 38 ILE H H 38 8.702 8.702 8.354 0.348 25791 12889 1 33 . 1 1 39 39 ARG N N 39 117.798 117.798 119.632 -1.834 25791 12890 1 33 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.235 -0.020 25791 12891 1 33 . 1 1 39 39 ARG C C 39 179.555 179.555 179.307 0.248 25791 12892 1 33 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.651 -0.193 25791 12893 1 33 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.994 -0.242 25791 12894 1 33 . 1 1 39 39 ARG H H 39 7.739 7.739 8.201 -0.462 25791 12895 1 33 . 1 1 40 40 GLN N N 40 119.432 119.432 119.261 0.171 25791 12896 1 33 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.036 0.101 25791 12897 1 33 . 1 1 40 40 GLN C C 40 179.522 179.522 178.460 1.062 25791 12898 1 33 . 1 1 40 40 GLN CA C 40 59.260 59.260 59.003 0.257 25791 12899 1 33 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.770 -0.412 25791 12900 1 33 . 1 1 40 40 GLN H H 40 7.811 7.811 7.555 0.256 25791 12901 1 33 . 1 1 41 41 LEU N N 41 121.592 121.592 120.182 1.410 25791 12902 1 33 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.681 0.006 25791 12903 1 33 . 1 1 41 41 LEU C C 41 178.974 178.974 178.954 0.020 25791 12904 1 33 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.672 0.291 25791 12905 1 33 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.868 -1.016 25791 12906 1 33 . 1 1 41 41 LEU H H 41 8.648 8.648 8.297 0.351 25791 12907 1 33 . 1 1 42 42 GLN N N 42 119.054 119.054 118.113 0.941 25791 12908 1 33 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.243 0.301 25791 12909 1 33 . 1 1 42 42 GLN C C 42 180.176 180.176 178.691 1.485 25791 12910 1 33 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.300 -0.066 25791 12911 1 33 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.752 -0.832 25791 12912 1 33 . 1 1 42 42 GLN H H 42 8.641 8.641 8.493 0.148 25791 12913 1 33 . 1 1 43 43 GLU N N 43 121.517 121.517 121.528 -0.011 25791 12914 1 33 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.034 0.202 25791 12915 1 33 . 1 1 43 43 GLU C C 43 179.721 179.721 178.871 0.850 25791 12916 1 33 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.664 0.003 25791 12917 1 33 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.441 -0.183 25791 12918 1 33 . 1 1 43 43 GLU H H 43 8.111 8.111 7.799 0.312 25791 12919 1 33 . 1 1 44 44 GLN N N 44 119.240 119.240 118.227 1.013 25791 12920 1 33 . 1 1 44 44 GLN HA H 44 4.116 4.116 3.999 0.117 25791 12921 1 33 . 1 1 44 44 GLN C C 44 179.012 179.012 178.397 0.615 25791 12922 1 33 . 1 1 44 44 GLN CA C 44 59.149 59.149 59.169 -0.020 25791 12923 1 33 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.726 0.128 25791 12924 1 33 . 1 1 44 44 GLN H H 44 8.372 8.372 8.426 -0.054 25791 12925 1 33 . 1 1 45 45 HIS N N 45 121.705 121.705 120.477 1.228 25791 12926 1 33 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.307 -0.027 25791 12927 1 33 . 1 1 45 45 HIS C C 45 176.395 176.395 177.244 -0.849 25791 12928 1 33 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.029 1.330 25791 12929 1 33 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.611 1.714 25791 12930 1 33 . 1 1 45 45 HIS H H 45 9.472 9.472 8.342 1.130 25791 12931 1 33 . 1 1 46 46 TYR N N 46 119.039 119.039 120.381 -1.342 25791 12932 1 33 . 1 1 46 46 TYR HA H 46 3.849 3.849 3.984 -0.135 25791 12933 1 33 . 1 1 46 46 TYR C C 46 176.664 176.664 178.047 -1.383 25791 12934 1 33 . 1 1 46 46 TYR CA C 46 62.251 62.251 62.076 0.175 25791 12935 1 33 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.438 -0.766 25791 12936 1 33 . 1 1 46 46 TYR H H 46 8.253 8.253 8.523 -0.270 25791 12937 1 33 . 1 1 47 47 GLN N N 47 116.407 116.407 117.377 -0.970 25791 12938 1 33 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.836 -0.052 25791 12939 1 33 . 1 1 47 47 GLN C C 47 179.048 179.048 178.363 0.685 25791 12940 1 33 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.591 -0.642 25791 12941 1 33 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.517 -0.336 25791 12942 1 33 . 1 1 47 47 GLN H H 47 7.814 7.814 8.404 -0.590 25791 12943 1 33 . 1 1 48 48 GLN N N 48 119.803 119.803 119.850 -0.047 25791 12944 1 33 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.084 -0.107 25791 12945 1 33 . 1 1 48 48 GLN C C 48 177.741 177.741 178.236 -0.495 25791 12946 1 33 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.256 0.058 25791 12947 1 33 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.312 0.016 25791 12948 1 33 . 1 1 48 48 GLN H H 48 8.645 8.645 8.296 0.349 25791 12949 1 33 . 1 1 49 49 TYR N N 49 121.342 121.342 121.940 -0.598 25791 12950 1 33 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.122 -0.482 25791 12951 1 33 . 1 1 49 49 TYR C C 49 176.021 176.021 177.512 -1.491 25791 12952 1 33 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.801 0.308 25791 12953 1 33 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.268 0.639 25791 12954 1 33 . 1 1 49 49 TYR H H 49 9.105 9.105 8.704 0.401 25791 12955 1 33 . 1 1 50 50 MET N N 50 115.522 115.522 118.450 -2.928 25791 12956 1 33 . 1 1 50 50 MET HA H 50 4.040 4.040 3.757 0.283 25791 12957 1 33 . 1 1 50 50 MET C C 50 179.841 179.841 178.230 1.611 25791 12958 1 33 . 1 1 50 50 MET CA C 50 56.623 56.623 56.758 -0.135 25791 12959 1 33 . 1 1 50 50 MET CB C 50 30.099 30.099 31.640 -1.541 25791 12960 1 33 . 1 1 50 50 MET H H 50 8.060 8.060 8.318 -0.258 25791 12961 1 33 . 1 1 51 51 GLN N N 51 118.942 118.942 118.936 0.006 25791 12962 1 33 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.935 0.130 25791 12963 1 33 . 1 1 51 51 GLN C C 51 178.707 178.707 178.338 0.369 25791 12964 1 33 . 1 1 51 51 GLN CA C 51 58.941 58.941 58.949 -0.008 25791 12965 1 33 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.252 0.237 25791 12966 1 33 . 1 1 51 51 GLN H H 51 7.830 7.830 8.182 -0.352 25791 12967 1 33 . 1 1 52 52 GLN N N 52 119.210 119.210 119.693 -0.483 25791 12968 1 33 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.047 0.010 25791 12969 1 33 . 1 1 52 52 GLN C C 52 178.738 178.738 178.381 0.357 25791 12970 1 33 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.554 0.195 25791 12971 1 33 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.785 -0.382 25791 12972 1 33 . 1 1 52 52 GLN H H 52 8.187 8.187 8.019 0.168 25791 12973 1 33 . 1 1 53 53 LEU N N 53 121.233 121.233 121.285 -0.052 25791 12974 1 33 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.820 0.021 25791 12975 1 33 . 1 1 53 53 LEU C C 53 179.191 179.191 178.014 1.177 25791 12976 1 33 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.598 0.147 25791 12977 1 33 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.192 0.674 25791 12978 1 33 . 1 1 53 53 LEU H H 53 8.441 8.441 8.150 0.291 25791 12979 1 33 . 1 1 54 54 TYR N N 54 118.505 118.505 119.650 -1.145 25791 12980 1 33 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.907 0.411 25791 12981 1 33 . 1 1 54 54 TYR C C 54 177.535 177.535 177.462 0.073 25791 12982 1 33 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.566 -2.089 25791 12983 1 33 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.401 -0.615 25791 12984 1 33 . 1 1 54 54 TYR H H 54 7.819 7.819 8.365 -0.546 25791 12985 1 33 . 1 1 55 55 GLN N N 55 117.299 117.299 117.513 -0.214 25791 12986 1 33 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.069 -0.170 25791 12987 1 33 . 1 1 55 55 GLN C C 55 179.041 179.041 178.363 0.678 25791 12988 1 33 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.918 -0.209 25791 12989 1 33 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.502 -0.287 25791 12990 1 33 . 1 1 55 55 GLN H H 55 7.735 7.735 7.776 -0.041 25791 12991 1 33 . 1 1 56 56 VAL N N 56 120.879 120.879 120.525 0.354 25791 12992 1 33 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.557 0.235 25791 12993 1 33 . 1 1 56 56 VAL C C 56 178.262 178.262 177.791 0.471 25791 12994 1 33 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.441 -0.499 25791 12995 1 33 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.730 0.149 25791 12996 1 33 . 1 1 56 56 VAL H H 56 8.014 8.014 7.826 0.188 25791 12997 1 33 . 1 1 57 57 GLN N N 57 120.513 120.513 119.505 1.008 25791 12998 1 33 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.991 0.069 25791 12999 1 33 . 1 1 57 57 GLN C C 57 178.772 178.772 178.136 0.636 25791 13000 1 33 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.316 0.300 25791 13001 1 33 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.838 0.147 25791 13002 1 33 . 1 1 57 57 GLN H H 57 8.103 8.103 8.316 -0.213 25791 13003 1 33 . 1 1 58 58 LEU N N 58 121.244 121.244 121.660 -0.416 25791 13004 1 33 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.893 0.112 25791 13005 1 33 . 1 1 58 58 LEU C C 58 179.134 179.134 178.175 0.959 25791 13006 1 33 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.368 0.138 25791 13007 1 33 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.236 0.567 25791 13008 1 33 . 1 1 58 58 LEU H H 58 8.176 8.176 7.986 0.190 25791 13009 1 33 . 1 1 59 59 ALA N N 59 121.608 121.608 120.818 0.790 25791 13010 1 33 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.854 0.311 25791 13011 1 33 . 1 1 59 59 ALA C C 59 180.497 180.497 179.889 0.608 25791 13012 1 33 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.214 -0.632 25791 13013 1 33 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.072 -0.019 25791 13014 1 33 . 1 1 59 59 ALA H H 59 7.833 7.833 7.950 -0.117 25791 13015 1 33 . 1 1 60 60 GLN N N 60 118.335 118.335 117.581 0.754 25791 13016 1 33 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.906 0.242 25791 13017 1 33 . 1 1 60 60 GLN C C 60 178.334 178.334 178.521 -0.187 25791 13018 1 33 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.692 -0.715 25791 13019 1 33 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.659 -0.224 25791 13020 1 33 . 1 1 60 60 GLN H H 60 8.081 8.081 7.650 0.431 25791 13021 1 33 . 1 1 61 61 GLN N N 61 120.206 120.206 119.662 0.544 25791 13022 1 33 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.960 0.202 25791 13023 1 33 . 1 1 61 61 GLN C C 61 178.002 178.002 178.513 -0.511 25791 13024 1 33 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.800 -0.895 25791 13025 1 33 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.536 0.043 25791 13026 1 33 . 1 1 61 61 GLN H H 61 8.111 8.111 8.043 0.068 25791 13027 1 33 . 1 1 62 62 GLN N N 62 118.980 118.980 118.703 0.277 25791 13028 1 33 . 1 1 62 62 GLN HA H 62 4.129 4.129 3.975 0.154 25791 13029 1 33 . 1 1 62 62 GLN C C 62 177.624 177.624 178.299 -0.675 25791 13030 1 33 . 1 1 62 62 GLN CA C 62 57.636 57.636 59.241 -1.605 25791 13031 1 33 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.410 0.226 25791 13032 1 33 . 1 1 62 62 GLN H H 62 8.203 8.203 8.617 -0.414 25791 13033 1 33 . 1 1 63 63 ALA N N 63 122.712 122.712 120.201 2.511 25791 13034 1 33 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.214 -0.008 25791 13035 1 33 . 1 1 63 63 ALA C C 63 178.922 178.922 178.225 0.697 25791 13036 1 33 . 1 1 63 63 ALA CA C 63 53.896 53.896 53.948 -0.052 25791 13037 1 33 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.382 0.077 25791 13038 1 33 . 1 1 63 63 ALA H H 63 8.004 8.004 7.687 0.317 25791 13039 1 33 . 1 1 64 64 ALA N N 64 120.813 120.813 121.271 -0.458 25791 13040 1 33 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.172 0.060 25791 13041 1 33 . 1 1 64 64 ALA C C 64 178.732 178.732 178.816 -0.084 25791 13042 1 33 . 1 1 64 64 ALA CA C 64 53.516 53.516 53.983 -0.467 25791 13043 1 33 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.143 -0.513 25791 13044 1 33 . 1 1 64 64 ALA H H 64 7.837 7.837 7.411 0.426 25791 13045 1 33 . 1 1 65 65 LEU N N 65 119.196 119.196 118.844 0.352 25791 13046 1 33 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.242 0.015 25791 13047 1 33 . 1 1 65 65 LEU C C 65 178.038 178.038 177.855 0.183 25791 13048 1 33 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.281 -0.459 25791 13049 1 33 . 1 1 65 65 LEU CB C 65 42.264 42.264 41.913 0.352 25791 13050 1 33 . 1 1 65 65 LEU H H 65 7.765 7.765 7.806 -0.041 25791 13051 1 33 . 1 1 66 66 GLN N N 66 119.365 119.365 113.556 5.809 25791 13052 1 33 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.995 0.280 25791 13053 1 33 . 1 1 66 66 GLN C C 66 176.120 176.120 176.072 0.048 25791 13054 1 33 . 1 1 66 66 GLN CA C 66 56.067 56.067 57.248 -1.181 25791 13055 1 33 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.902 2.230 25791 13056 1 33 . 1 1 66 66 GLN H H 66 7.967 7.967 8.206 -0.239 25791 13057 1 33 . 1 1 67 67 LYS N N 67 121.521 121.521 117.101 4.420 25791 13058 1 33 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.371 -0.062 25791 13059 1 33 . 1 1 67 67 LYS C C 67 176.437 176.437 175.013 1.424 25791 13060 1 33 . 1 1 67 67 LYS CA C 67 56.389 56.389 56.199 0.190 25791 13061 1 33 . 1 1 67 67 LYS CB C 67 33.041 33.041 33.455 -0.414 25791 13062 1 33 . 1 1 67 67 LYS H H 67 8.053 8.053 8.131 -0.078 25791 13063 1 33 . 1 1 68 68 GLN N N 68 121.970 121.970 119.332 2.638 25791 13064 1 33 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.451 -0.112 25791 13065 1 33 . 1 1 68 68 GLN C C 68 175.120 175.120 175.375 -0.255 25791 13066 1 33 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.696 0.304 25791 13067 1 33 . 1 1 68 68 GLN CB C 68 29.498 29.498 29.008 0.490 25791 13068 1 33 . 1 1 68 68 GLN H H 68 8.314 8.314 8.151 0.163 25791 13069 1 34 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.335 0.112 25791 13070 1 34 . 1 1 2 2 GLN C C 2 176.144 176.144 176.955 -0.811 25791 13071 1 34 . 1 1 2 2 GLN CA C 2 56.209 56.209 55.902 0.307 25791 13072 1 34 . 1 1 2 2 GLN CB C 2 29.459 29.459 28.572 0.887 25791 13073 1 34 . 1 1 3 3 GLN N N 3 122.052 122.052 118.714 3.338 25791 13074 1 34 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.016 0.307 25791 13075 1 34 . 1 1 3 3 GLN C C 3 176.988 176.988 177.229 -0.241 25791 13076 1 34 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.237 -0.834 25791 13077 1 34 . 1 1 3 3 GLN CB C 3 29.239 29.239 27.992 1.247 25791 13078 1 34 . 1 1 3 3 GLN H H 3 8.780 8.780 8.516 0.264 25791 13079 1 34 . 1 1 4 4 LYS N N 4 121.855 121.855 120.940 0.915 25791 13080 1 34 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.030 -0.026 25791 13081 1 34 . 1 1 4 4 LYS C C 4 177.638 177.638 178.526 -0.888 25791 13082 1 34 . 1 1 4 4 LYS CA C 4 60.239 60.239 58.964 1.275 25791 13083 1 34 . 1 1 4 4 LYS CB C 4 32.699 32.699 31.980 0.719 25791 13084 1 34 . 1 1 4 4 LYS H H 4 8.528 8.528 8.052 0.476 25791 13085 1 34 . 1 1 5 5 GLN N N 5 116.397 116.397 117.774 -1.377 25791 13086 1 34 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.892 0.049 25791 13087 1 34 . 1 1 5 5 GLN C C 5 178.761 178.761 178.283 0.478 25791 13088 1 34 . 1 1 5 5 GLN CA C 5 59.349 59.349 59.233 0.116 25791 13089 1 34 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.465 -0.515 25791 13090 1 34 . 1 1 5 5 GLN H H 5 8.223 8.223 8.105 0.118 25791 13091 1 34 . 1 1 6 6 GLN N N 6 119.262 119.262 118.763 0.499 25791 13092 1 34 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.125 0.003 25791 13093 1 34 . 1 1 6 6 GLN C C 6 179.018 179.018 178.301 0.717 25791 13094 1 34 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.428 0.661 25791 13095 1 34 . 1 1 6 6 GLN CB C 6 28.710 28.710 27.952 0.758 25791 13096 1 34 . 1 1 6 6 GLN H H 6 7.848 7.848 7.941 -0.093 25791 13097 1 34 . 1 1 7 7 ILE N N 7 121.296 121.296 121.839 -0.543 25791 13098 1 34 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.819 -0.236 25791 13099 1 34 . 1 1 7 7 ILE C C 7 177.833 177.833 178.133 -0.300 25791 13100 1 34 . 1 1 7 7 ILE CA C 7 65.129 65.129 63.174 1.955 25791 13101 1 34 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.083 1.123 25791 13102 1 34 . 1 1 7 7 ILE H H 7 8.095 8.095 7.318 0.777 25791 13103 1 34 . 1 1 8 8 MET N N 8 117.603 117.603 119.293 -1.690 25791 13104 1 34 . 1 1 8 8 MET HA H 8 3.985 3.985 4.000 -0.015 25791 13105 1 34 . 1 1 8 8 MET C C 8 177.355 177.355 178.841 -1.486 25791 13106 1 34 . 1 1 8 8 MET CA C 8 59.932 59.932 59.803 0.129 25791 13107 1 34 . 1 1 8 8 MET CB C 8 32.721 32.721 32.075 0.646 25791 13108 1 34 . 1 1 8 8 MET H H 8 8.672 8.672 8.410 0.262 25791 13109 1 34 . 1 1 9 9 ALA N N 9 118.774 118.774 121.247 -2.473 25791 13110 1 34 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.023 0.023 25791 13111 1 34 . 1 1 9 9 ALA C C 9 180.546 180.546 179.248 1.298 25791 13112 1 34 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.013 0.372 25791 13113 1 34 . 1 1 9 9 ALA CB C 9 17.898 17.898 18.115 -0.217 25791 13114 1 34 . 1 1 9 9 ALA H H 9 7.795 7.795 8.283 -0.488 25791 13115 1 34 . 1 1 10 10 ALA N N 10 120.854 120.854 121.533 -0.679 25791 13116 1 34 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.104 0.101 25791 13117 1 34 . 1 1 10 10 ALA C C 10 181.200 181.200 179.580 1.620 25791 13118 1 34 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.741 0.271 25791 13119 1 34 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.305 0.956 25791 13120 1 34 . 1 1 10 10 ALA H H 10 7.438 7.438 7.514 -0.076 25791 13121 1 34 . 1 1 11 11 LEU N N 11 120.775 120.775 118.745 2.030 25791 13122 1 34 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.784 -0.036 25791 13123 1 34 . 1 1 11 11 LEU C C 11 179.041 179.041 179.274 -0.233 25791 13124 1 34 . 1 1 11 11 LEU CA C 11 58.346 58.346 58.018 0.328 25791 13125 1 34 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.328 -1.351 25791 13126 1 34 . 1 1 11 11 LEU H H 11 8.757 8.757 8.504 0.253 25791 13127 1 34 . 1 1 12 12 ASN N N 12 116.313 116.313 117.632 -1.319 25791 13128 1 34 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.544 0.020 25791 13129 1 34 . 1 1 12 12 ASN C C 12 178.900 178.900 177.424 1.476 25791 13130 1 34 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.922 -1.857 25791 13131 1 34 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.541 -1.548 25791 13132 1 34 . 1 1 12 12 ASN H H 12 8.850 8.850 8.630 0.220 25791 13133 1 34 . 1 1 13 13 SER N N 13 114.747 114.747 116.075 -1.328 25791 13134 1 34 . 1 1 13 13 SER HA H 13 4.370 4.370 4.121 0.249 25791 13135 1 34 . 1 1 13 13 SER C C 13 176.515 176.515 177.042 -0.527 25791 13136 1 34 . 1 1 13 13 SER CA C 13 61.141 61.141 61.279 -0.138 25791 13137 1 34 . 1 1 13 13 SER CB C 13 63.044 63.044 63.095 -0.051 25791 13138 1 34 . 1 1 13 13 SER H H 13 7.672 7.672 7.747 -0.075 25791 13139 1 34 . 1 1 14 14 GLN N N 14 119.954 119.954 117.381 2.573 25791 13140 1 34 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.225 -0.007 25791 13141 1 34 . 1 1 14 14 GLN C C 14 178.208 178.208 176.396 1.812 25791 13142 1 34 . 1 1 14 14 GLN CA C 14 57.749 57.749 57.868 -0.119 25791 13143 1 34 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.928 -0.228 25791 13144 1 34 . 1 1 14 14 GLN H H 14 7.573 7.573 7.831 -0.258 25791 13145 1 34 . 1 1 15 15 THR N N 15 107.493 107.493 107.183 0.310 25791 13146 1 34 . 1 1 15 15 THR HA H 15 3.899 3.899 4.296 -0.397 25791 13147 1 34 . 1 1 15 15 THR C C 15 174.683 174.683 174.755 -0.072 25791 13148 1 34 . 1 1 15 15 THR CA C 15 61.551 61.551 60.917 0.633 25791 13149 1 34 . 1 1 15 15 THR CB C 15 69.226 69.226 69.304 -0.078 25791 13150 1 34 . 1 1 15 15 THR H H 15 7.741 7.741 7.136 0.605 25791 13151 1 34 . 1 1 16 16 ALA N N 16 124.034 124.034 126.201 -2.167 25791 13152 1 34 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.072 0.063 25791 13153 1 34 . 1 1 16 16 ALA C C 16 179.899 179.899 178.596 1.303 25791 13154 1 34 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.620 0.587 25791 13155 1 34 . 1 1 16 16 ALA CB C 16 18.724 18.724 17.794 0.930 25791 13156 1 34 . 1 1 16 16 ALA H H 16 6.873 6.873 7.847 -0.974 25791 13157 1 34 . 1 1 17 17 VAL N N 17 117.150 117.150 117.531 -0.381 25791 13158 1 34 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.781 -0.067 25791 13159 1 34 . 1 1 17 17 VAL C C 17 178.537 178.537 177.500 1.037 25791 13160 1 34 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.056 1.452 25791 13161 1 34 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.334 0.359 25791 13162 1 34 . 1 1 17 17 VAL H H 17 8.162 8.162 8.468 -0.306 25791 13163 1 34 . 1 1 18 18 GLN N N 18 119.489 119.489 119.650 -0.161 25791 13164 1 34 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.041 0.016 25791 13165 1 34 . 1 1 18 18 GLN C C 18 180.429 180.429 178.848 1.581 25791 13166 1 34 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.300 0.399 25791 13167 1 34 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.469 0.717 25791 13168 1 34 . 1 1 18 18 GLN H H 18 8.451 8.451 7.855 0.596 25791 13169 1 34 . 1 1 19 19 PHE N N 19 117.940 117.940 119.183 -1.243 25791 13170 1 34 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.431 0.399 25791 13171 1 34 . 1 1 19 19 PHE C C 19 177.858 177.858 178.268 -0.410 25791 13172 1 34 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.890 -1.861 25791 13173 1 34 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.169 -2.264 25791 13174 1 34 . 1 1 19 19 PHE H H 19 8.924 8.924 8.563 0.361 25791 13175 1 34 . 1 1 20 20 GLN N N 20 120.297 120.297 119.198 1.099 25791 13176 1 34 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.974 0.132 25791 13177 1 34 . 1 1 20 20 GLN C C 20 178.986 178.986 178.712 0.274 25791 13178 1 34 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.706 -0.143 25791 13179 1 34 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.513 -0.618 25791 13180 1 34 . 1 1 20 20 GLN H H 20 8.264 8.264 8.604 -0.340 25791 13181 1 34 . 1 1 21 21 GLN N N 21 118.595 118.595 119.224 -0.629 25791 13182 1 34 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.075 0.007 25791 13183 1 34 . 1 1 21 21 GLN C C 21 178.806 178.806 178.684 0.122 25791 13184 1 34 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.944 0.226 25791 13185 1 34 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.852 -0.656 25791 13186 1 34 . 1 1 21 21 GLN H H 21 8.527 8.527 8.099 0.428 25791 13187 1 34 . 1 1 22 22 TYR N N 22 119.594 119.594 121.040 -1.446 25791 13188 1 34 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.243 0.004 25791 13189 1 34 . 1 1 22 22 TYR C C 22 177.789 177.789 177.043 0.746 25791 13190 1 34 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.226 1.486 25791 13191 1 34 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.408 0.315 25791 13192 1 34 . 1 1 22 22 TYR H H 22 7.843 7.843 7.965 -0.122 25791 13193 1 34 . 1 1 23 23 ALA N N 23 120.663 120.663 121.618 -0.955 25791 13194 1 34 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.751 0.106 25791 13195 1 34 . 1 1 23 23 ALA C C 23 179.319 179.319 178.736 0.583 25791 13196 1 34 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.963 0.626 25791 13197 1 34 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.218 0.264 25791 13198 1 34 . 1 1 23 23 ALA H H 23 8.612 8.612 8.723 -0.111 25791 13199 1 34 . 1 1 24 24 ALA N N 24 119.002 119.002 120.409 -1.407 25791 13200 1 34 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.121 -0.183 25791 13201 1 34 . 1 1 24 24 ALA C C 24 178.987 178.987 178.823 0.164 25791 13202 1 34 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.121 0.196 25791 13203 1 34 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.430 -0.539 25791 13204 1 34 . 1 1 24 24 ALA H H 24 8.168 8.168 8.197 -0.029 25791 13205 1 34 . 1 1 25 25 GLN N N 25 115.599 115.599 116.700 -1.101 25791 13206 1 34 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.066 -0.062 25791 13207 1 34 . 1 1 25 25 GLN C C 25 177.818 177.818 178.048 -0.230 25791 13208 1 34 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.107 -0.653 25791 13209 1 34 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.950 -0.495 25791 13210 1 34 . 1 1 25 25 GLN H H 25 7.300 7.300 7.537 -0.237 25791 13211 1 34 . 1 1 26 26 GLN N N 26 116.989 116.989 116.466 0.523 25791 13212 1 34 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.893 -0.189 25791 13213 1 34 . 1 1 26 26 GLN C C 26 175.979 175.979 175.898 0.081 25791 13214 1 34 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.800 -0.012 25791 13215 1 34 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.887 -0.807 25791 13216 1 34 . 1 1 26 26 GLN H H 26 7.401 7.401 7.315 0.086 25791 13217 1 34 . 1 1 27 27 TYR N N 27 114.712 114.712 117.235 -2.523 25791 13218 1 34 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.928 0.150 25791 13219 1 34 . 1 1 27 27 TYR C C 27 172.931 172.931 173.508 -0.577 25791 13220 1 34 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.939 0.228 25791 13221 1 34 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.748 0.912 25791 13222 1 34 . 1 1 27 27 TYR H H 27 7.675 7.675 8.134 -0.459 25791 13223 1 34 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.334 0.028 25791 13224 1 34 . 1 1 28 28 PRO C C 28 179.333 179.333 177.880 1.453 25791 13225 1 34 . 1 1 28 28 PRO CA C 28 64.394 64.394 64.381 0.013 25791 13226 1 34 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.203 -0.949 25791 13227 1 34 . 1 1 29 29 GLY N N 29 110.091 110.091 113.491 -3.400 25791 13228 1 34 . 1 1 29 29 GLY C C 29 173.218 173.218 174.637 -1.419 25791 13229 1 34 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.325 0.587 25791 13230 1 34 . 1 1 29 29 GLY H H 29 8.826 8.826 8.716 0.110 25791 13231 1 34 . 1 1 30 30 ASN N N 30 118.603 118.603 122.231 -3.628 25791 13232 1 34 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.978 0.021 25791 13233 1 34 . 1 1 30 30 ASN C C 30 173.977 173.977 174.978 -1.001 25791 13234 1 34 . 1 1 30 30 ASN CA C 30 51.185 51.185 52.073 -0.888 25791 13235 1 34 . 1 1 30 30 ASN CB C 30 38.426 38.426 37.844 0.582 25791 13236 1 34 . 1 1 30 30 ASN H H 30 7.293 7.293 7.806 -0.513 25791 13237 1 34 . 1 1 31 31 TYR N N 31 125.240 125.240 125.699 -0.459 25791 13238 1 34 . 1 1 31 31 TYR HA H 31 3.898 3.898 3.962 -0.064 25791 13239 1 34 . 1 1 31 31 TYR C C 31 177.343 177.343 177.014 0.329 25791 13240 1 34 . 1 1 31 31 TYR CA C 31 61.811 61.811 63.445 -1.634 25791 13241 1 34 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.969 -0.612 25791 13242 1 34 . 1 1 31 31 TYR H H 31 8.509 8.509 7.870 0.639 25791 13243 1 34 . 1 1 32 32 GLU N N 32 118.993 118.993 117.830 1.163 25791 13244 1 34 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.745 0.155 25791 13245 1 34 . 1 1 32 32 GLU C C 32 179.549 179.549 178.663 0.886 25791 13246 1 34 . 1 1 32 32 GLU CA C 32 60.112 60.112 60.019 0.093 25791 13247 1 34 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.805 0.362 25791 13248 1 34 . 1 1 32 32 GLU H H 32 8.714 8.714 8.765 -0.051 25791 13249 1 34 . 1 1 33 33 GLN N N 33 117.037 117.037 117.871 -0.834 25791 13250 1 34 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.774 -0.041 25791 13251 1 34 . 1 1 33 33 GLN C C 33 179.119 179.119 178.529 0.590 25791 13252 1 34 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.451 -0.749 25791 13253 1 34 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.544 0.082 25791 13254 1 34 . 1 1 33 33 GLN H H 33 7.536 7.536 8.303 -0.767 25791 13255 1 34 . 1 1 34 34 GLN N N 34 117.723 117.723 119.459 -1.736 25791 13256 1 34 . 1 1 34 34 GLN HA H 34 3.811 3.811 3.992 -0.181 25791 13257 1 34 . 1 1 34 34 GLN C C 34 177.634 177.634 178.535 -0.901 25791 13258 1 34 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.304 0.861 25791 13259 1 34 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.513 -1.012 25791 13260 1 34 . 1 1 34 34 GLN H H 34 7.968 7.968 8.279 -0.311 25791 13261 1 34 . 1 1 35 35 GLN N N 35 115.293 115.293 118.852 -3.559 25791 13262 1 34 . 1 1 35 35 GLN HA H 35 3.791 3.791 3.938 -0.147 25791 13263 1 34 . 1 1 35 35 GLN C C 35 178.757 178.757 178.609 0.148 25791 13264 1 34 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.436 0.174 25791 13265 1 34 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.181 0.024 25791 13266 1 34 . 1 1 35 35 GLN H H 35 7.870 7.870 7.923 -0.053 25791 13267 1 34 . 1 1 36 36 ILE N N 36 120.769 120.769 120.470 0.299 25791 13268 1 34 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.621 -0.057 25791 13269 1 34 . 1 1 36 36 ILE C C 36 178.273 178.273 178.128 0.145 25791 13270 1 34 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.226 0.010 25791 13271 1 34 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.654 0.719 25791 13272 1 34 . 1 1 36 36 ILE H H 36 7.503 7.503 8.163 -0.660 25791 13273 1 34 . 1 1 37 37 LEU N N 37 121.056 121.056 121.392 -0.336 25791 13274 1 34 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.039 0.270 25791 13275 1 34 . 1 1 37 37 LEU C C 37 178.348 178.348 178.158 0.190 25791 13276 1 34 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.798 -0.064 25791 13277 1 34 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.696 -0.180 25791 13278 1 34 . 1 1 37 37 LEU H H 37 7.678 7.678 7.722 -0.044 25791 13279 1 34 . 1 1 38 38 ILE N N 38 119.334 119.334 119.918 -0.584 25791 13280 1 34 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.424 -0.083 25791 13281 1 34 . 1 1 38 38 ILE C C 38 177.371 177.371 177.957 -0.586 25791 13282 1 34 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.766 1.319 25791 13283 1 34 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.521 0.828 25791 13284 1 34 . 1 1 38 38 ILE H H 38 8.702 8.702 8.356 0.346 25791 13285 1 34 . 1 1 39 39 ARG N N 39 117.798 117.798 119.632 -1.834 25791 13286 1 34 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.235 -0.020 25791 13287 1 34 . 1 1 39 39 ARG C C 39 179.555 179.555 179.306 0.249 25791 13288 1 34 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.653 -0.194 25791 13289 1 34 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.992 -0.240 25791 13290 1 34 . 1 1 39 39 ARG H H 39 7.739 7.739 8.199 -0.460 25791 13291 1 34 . 1 1 40 40 GLN N N 40 119.432 119.432 119.254 0.178 25791 13292 1 34 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.036 0.101 25791 13293 1 34 . 1 1 40 40 GLN C C 40 179.522 179.522 178.461 1.061 25791 13294 1 34 . 1 1 40 40 GLN CA C 40 59.260 59.260 59.001 0.259 25791 13295 1 34 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.771 -0.413 25791 13296 1 34 . 1 1 40 40 GLN H H 40 7.811 7.811 7.554 0.257 25791 13297 1 34 . 1 1 41 41 LEU N N 41 121.592 121.592 120.184 1.408 25791 13298 1 34 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.681 0.006 25791 13299 1 34 . 1 1 41 41 LEU C C 41 178.974 178.974 178.954 0.020 25791 13300 1 34 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.673 0.290 25791 13301 1 34 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.868 -1.016 25791 13302 1 34 . 1 1 41 41 LEU H H 41 8.648 8.648 8.295 0.353 25791 13303 1 34 . 1 1 42 42 GLN N N 42 119.054 119.054 118.113 0.941 25791 13304 1 34 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.243 0.301 25791 13305 1 34 . 1 1 42 42 GLN C C 42 180.176 180.176 178.691 1.485 25791 13306 1 34 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.299 -0.065 25791 13307 1 34 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.752 -0.832 25791 13308 1 34 . 1 1 42 42 GLN H H 42 8.641 8.641 8.492 0.149 25791 13309 1 34 . 1 1 43 43 GLU N N 43 121.517 121.517 121.534 -0.017 25791 13310 1 34 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.034 0.202 25791 13311 1 34 . 1 1 43 43 GLU C C 43 179.721 179.721 178.870 0.851 25791 13312 1 34 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.664 0.002 25791 13313 1 34 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.441 -0.183 25791 13314 1 34 . 1 1 43 43 GLU H H 43 8.111 8.111 7.800 0.311 25791 13315 1 34 . 1 1 44 44 GLN N N 44 119.240 119.240 118.228 1.012 25791 13316 1 34 . 1 1 44 44 GLN HA H 44 4.116 4.116 3.999 0.117 25791 13317 1 34 . 1 1 44 44 GLN C C 44 179.012 179.012 178.397 0.615 25791 13318 1 34 . 1 1 44 44 GLN CA C 44 59.149 59.149 59.169 -0.021 25791 13319 1 34 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.725 0.129 25791 13320 1 34 . 1 1 44 44 GLN H H 44 8.372 8.372 8.424 -0.052 25791 13321 1 34 . 1 1 45 45 HIS N N 45 121.705 121.705 120.477 1.228 25791 13322 1 34 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.307 -0.027 25791 13323 1 34 . 1 1 45 45 HIS C C 45 176.395 176.395 177.245 -0.850 25791 13324 1 34 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.029 1.330 25791 13325 1 34 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.611 1.714 25791 13326 1 34 . 1 1 45 45 HIS H H 45 9.472 9.472 8.343 1.129 25791 13327 1 34 . 1 1 46 46 TYR N N 46 119.039 119.039 120.380 -1.341 25791 13328 1 34 . 1 1 46 46 TYR HA H 46 3.849 3.849 3.985 -0.136 25791 13329 1 34 . 1 1 46 46 TYR C C 46 176.664 176.664 178.046 -1.382 25791 13330 1 34 . 1 1 46 46 TYR CA C 46 62.251 62.251 62.074 0.177 25791 13331 1 34 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.439 -0.767 25791 13332 1 34 . 1 1 46 46 TYR H H 46 8.253 8.253 8.524 -0.271 25791 13333 1 34 . 1 1 47 47 GLN N N 47 116.407 116.407 117.382 -0.975 25791 13334 1 34 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.836 -0.052 25791 13335 1 34 . 1 1 47 47 GLN C C 47 179.048 179.048 178.362 0.686 25791 13336 1 34 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.592 -0.643 25791 13337 1 34 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.517 -0.336 25791 13338 1 34 . 1 1 47 47 GLN H H 47 7.814 7.814 8.406 -0.592 25791 13339 1 34 . 1 1 48 48 GLN N N 48 119.803 119.803 119.852 -0.049 25791 13340 1 34 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.084 -0.107 25791 13341 1 34 . 1 1 48 48 GLN C C 48 177.741 177.741 178.237 -0.496 25791 13342 1 34 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.254 0.060 25791 13343 1 34 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.311 0.017 25791 13344 1 34 . 1 1 48 48 GLN H H 48 8.645 8.645 8.296 0.349 25791 13345 1 34 . 1 1 49 49 TYR N N 49 121.342 121.342 121.944 -0.602 25791 13346 1 34 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.121 -0.481 25791 13347 1 34 . 1 1 49 49 TYR C C 49 176.021 176.021 177.514 -1.493 25791 13348 1 34 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.804 0.305 25791 13349 1 34 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.268 0.639 25791 13350 1 34 . 1 1 49 49 TYR H H 49 9.105 9.105 8.704 0.401 25791 13351 1 34 . 1 1 50 50 MET N N 50 115.522 115.522 118.447 -2.925 25791 13352 1 34 . 1 1 50 50 MET HA H 50 4.040 4.040 3.757 0.283 25791 13353 1 34 . 1 1 50 50 MET C C 50 179.841 179.841 178.231 1.610 25791 13354 1 34 . 1 1 50 50 MET CA C 50 56.623 56.623 56.760 -0.137 25791 13355 1 34 . 1 1 50 50 MET CB C 50 30.099 30.099 31.639 -1.540 25791 13356 1 34 . 1 1 50 50 MET H H 50 8.060 8.060 8.319 -0.259 25791 13357 1 34 . 1 1 51 51 GLN N N 51 118.942 118.942 118.932 0.010 25791 13358 1 34 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.935 0.130 25791 13359 1 34 . 1 1 51 51 GLN C C 51 178.707 178.707 178.339 0.368 25791 13360 1 34 . 1 1 51 51 GLN CA C 51 58.941 58.941 58.950 -0.009 25791 13361 1 34 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.251 0.238 25791 13362 1 34 . 1 1 51 51 GLN H H 51 7.830 7.830 8.185 -0.355 25791 13363 1 34 . 1 1 52 52 GLN N N 52 119.210 119.210 119.696 -0.486 25791 13364 1 34 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.047 0.010 25791 13365 1 34 . 1 1 52 52 GLN C C 52 178.738 178.738 178.381 0.357 25791 13366 1 34 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.555 0.194 25791 13367 1 34 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.785 -0.382 25791 13368 1 34 . 1 1 52 52 GLN H H 52 8.187 8.187 8.018 0.169 25791 13369 1 34 . 1 1 53 53 LEU N N 53 121.233 121.233 121.285 -0.052 25791 13370 1 34 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.820 0.021 25791 13371 1 34 . 1 1 53 53 LEU C C 53 179.191 179.191 178.014 1.177 25791 13372 1 34 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.599 0.146 25791 13373 1 34 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.192 0.674 25791 13374 1 34 . 1 1 53 53 LEU H H 53 8.441 8.441 8.149 0.292 25791 13375 1 34 . 1 1 54 54 TYR N N 54 118.505 118.505 119.648 -1.143 25791 13376 1 34 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.907 0.411 25791 13377 1 34 . 1 1 54 54 TYR C C 54 177.535 177.535 177.462 0.073 25791 13378 1 34 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.567 -2.090 25791 13379 1 34 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.403 -0.617 25791 13380 1 34 . 1 1 54 54 TYR H H 54 7.819 7.819 8.370 -0.550 25791 13381 1 34 . 1 1 55 55 GLN N N 55 117.299 117.299 117.510 -0.211 25791 13382 1 34 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.071 -0.172 25791 13383 1 34 . 1 1 55 55 GLN C C 55 179.041 179.041 178.360 0.681 25791 13384 1 34 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.914 -0.205 25791 13385 1 34 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.504 -0.289 25791 13386 1 34 . 1 1 55 55 GLN H H 55 7.735 7.735 7.776 -0.041 25791 13387 1 34 . 1 1 56 56 VAL N N 56 120.879 120.879 120.531 0.348 25791 13388 1 34 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.557 0.235 25791 13389 1 34 . 1 1 56 56 VAL C C 56 178.262 178.262 177.789 0.473 25791 13390 1 34 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.444 -0.502 25791 13391 1 34 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.732 0.147 25791 13392 1 34 . 1 1 56 56 VAL H H 56 8.014 8.014 7.826 0.188 25791 13393 1 34 . 1 1 57 57 GLN N N 57 120.513 120.513 119.510 1.003 25791 13394 1 34 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.991 0.069 25791 13395 1 34 . 1 1 57 57 GLN C C 57 178.772 178.772 178.136 0.636 25791 13396 1 34 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.316 0.300 25791 13397 1 34 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.839 0.146 25791 13398 1 34 . 1 1 57 57 GLN H H 57 8.103 8.103 8.316 -0.213 25791 13399 1 34 . 1 1 58 58 LEU N N 58 121.244 121.244 121.659 -0.415 25791 13400 1 34 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.894 0.111 25791 13401 1 34 . 1 1 58 58 LEU C C 58 179.134 179.134 178.174 0.960 25791 13402 1 34 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.364 0.142 25791 13403 1 34 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.236 0.567 25791 13404 1 34 . 1 1 58 58 LEU H H 58 8.176 8.176 7.989 0.187 25791 13405 1 34 . 1 1 59 59 ALA N N 59 121.608 121.608 120.823 0.785 25791 13406 1 34 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.854 0.311 25791 13407 1 34 . 1 1 59 59 ALA C C 59 180.497 180.497 179.888 0.609 25791 13408 1 34 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.215 -0.633 25791 13409 1 34 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.072 -0.019 25791 13410 1 34 . 1 1 59 59 ALA H H 59 7.833 7.833 7.952 -0.119 25791 13411 1 34 . 1 1 60 60 GLN N N 60 118.335 118.335 117.581 0.754 25791 13412 1 34 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.906 0.242 25791 13413 1 34 . 1 1 60 60 GLN C C 60 178.334 178.334 178.521 -0.187 25791 13414 1 34 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.693 -0.716 25791 13415 1 34 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.658 -0.223 25791 13416 1 34 . 1 1 60 60 GLN H H 60 8.081 8.081 7.649 0.432 25791 13417 1 34 . 1 1 61 61 GLN N N 61 120.206 120.206 119.663 0.543 25791 13418 1 34 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.960 0.202 25791 13419 1 34 . 1 1 61 61 GLN C C 61 178.002 178.002 178.513 -0.511 25791 13420 1 34 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.802 -0.897 25791 13421 1 34 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.535 0.044 25791 13422 1 34 . 1 1 61 61 GLN H H 61 8.111 8.111 8.043 0.068 25791 13423 1 34 . 1 1 62 62 GLN N N 62 118.980 118.980 118.703 0.277 25791 13424 1 34 . 1 1 62 62 GLN HA H 62 4.129 4.129 3.974 0.155 25791 13425 1 34 . 1 1 62 62 GLN C C 62 177.624 177.624 178.301 -0.677 25791 13426 1 34 . 1 1 62 62 GLN CA C 62 57.636 57.636 59.243 -1.607 25791 13427 1 34 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.410 0.226 25791 13428 1 34 . 1 1 62 62 GLN H H 62 8.203 8.203 8.618 -0.415 25791 13429 1 34 . 1 1 63 63 ALA N N 63 122.712 122.712 120.220 2.492 25791 13430 1 34 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.214 -0.008 25791 13431 1 34 . 1 1 63 63 ALA C C 63 178.922 178.922 178.227 0.695 25791 13432 1 34 . 1 1 63 63 ALA CA C 63 53.896 53.896 53.957 -0.061 25791 13433 1 34 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.383 0.076 25791 13434 1 34 . 1 1 63 63 ALA H H 63 8.004 8.004 7.687 0.317 25791 13435 1 34 . 1 1 64 64 ALA N N 64 120.813 120.813 121.256 -0.443 25791 13436 1 34 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.173 0.059 25791 13437 1 34 . 1 1 64 64 ALA C C 64 178.732 178.732 178.813 -0.081 25791 13438 1 34 . 1 1 64 64 ALA CA C 64 53.516 53.516 53.980 -0.464 25791 13439 1 34 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.139 -0.509 25791 13440 1 34 . 1 1 64 64 ALA H H 64 7.837 7.837 7.406 0.431 25791 13441 1 34 . 1 1 65 65 LEU N N 65 119.196 119.196 118.847 0.349 25791 13442 1 34 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.243 0.014 25791 13443 1 34 . 1 1 65 65 LEU C C 65 178.038 178.038 177.854 0.184 25791 13444 1 34 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.279 -0.457 25791 13445 1 34 . 1 1 65 65 LEU CB C 65 42.264 42.264 41.913 0.351 25791 13446 1 34 . 1 1 65 65 LEU H H 65 7.765 7.765 7.805 -0.040 25791 13447 1 34 . 1 1 66 66 GLN N N 66 119.365 119.365 113.559 5.806 25791 13448 1 34 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.995 0.280 25791 13449 1 34 . 1 1 66 66 GLN C C 66 176.120 176.120 176.071 0.049 25791 13450 1 34 . 1 1 66 66 GLN CA C 66 56.067 56.067 57.248 -1.181 25791 13451 1 34 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.902 2.230 25791 13452 1 34 . 1 1 66 66 GLN H H 66 7.967 7.967 8.206 -0.239 25791 13453 1 34 . 1 1 67 67 LYS N N 67 121.521 121.521 117.102 4.419 25791 13454 1 34 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.371 -0.062 25791 13455 1 34 . 1 1 67 67 LYS C C 67 176.437 176.437 175.011 1.426 25791 13456 1 34 . 1 1 67 67 LYS CA C 67 56.389 56.389 56.199 0.190 25791 13457 1 34 . 1 1 67 67 LYS CB C 67 33.041 33.041 33.456 -0.415 25791 13458 1 34 . 1 1 67 67 LYS H H 67 8.053 8.053 8.131 -0.078 25791 13459 1 34 . 1 1 68 68 GLN N N 68 121.970 121.970 119.330 2.640 25791 13460 1 34 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.452 -0.113 25791 13461 1 34 . 1 1 68 68 GLN C C 68 175.120 175.120 175.375 -0.255 25791 13462 1 34 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.698 0.302 25791 13463 1 34 . 1 1 68 68 GLN CB C 68 29.498 29.498 29.008 0.490 25791 13464 1 34 . 1 1 68 68 GLN H H 68 8.314 8.314 8.151 0.163 25791 13465 1 35 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.090 0.357 25791 13466 1 35 . 1 1 2 2 GLN C C 2 176.144 176.144 177.453 -1.309 25791 13467 1 35 . 1 1 2 2 GLN CA C 2 56.209 56.209 58.480 -2.271 25791 13468 1 35 . 1 1 2 2 GLN CB C 2 29.459 29.459 28.773 0.686 25791 13469 1 35 . 1 1 3 3 GLN N N 3 122.052 122.052 118.094 3.958 25791 13470 1 35 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.053 0.270 25791 13471 1 35 . 1 1 3 3 GLN C C 3 176.988 176.988 178.111 -1.123 25791 13472 1 35 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.505 -1.102 25791 13473 1 35 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.361 0.878 25791 13474 1 35 . 1 1 3 3 GLN H H 3 8.780 8.780 8.601 0.179 25791 13475 1 35 . 1 1 4 4 LYS N N 4 121.855 121.855 120.220 1.635 25791 13476 1 35 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.104 -0.100 25791 13477 1 35 . 1 1 4 4 LYS C C 4 177.638 177.638 178.613 -0.975 25791 13478 1 35 . 1 1 4 4 LYS CA C 4 60.239 60.239 58.908 1.331 25791 13479 1 35 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.157 0.542 25791 13480 1 35 . 1 1 4 4 LYS H H 4 8.528 8.528 7.576 0.952 25791 13481 1 35 . 1 1 5 5 GLN N N 5 116.397 116.397 118.764 -2.367 25791 13482 1 35 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.849 0.092 25791 13483 1 35 . 1 1 5 5 GLN C C 5 178.761 178.761 178.576 0.185 25791 13484 1 35 . 1 1 5 5 GLN CA C 5 59.349 59.349 59.087 0.261 25791 13485 1 35 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.633 -0.683 25791 13486 1 35 . 1 1 5 5 GLN H H 5 8.223 8.223 7.587 0.636 25791 13487 1 35 . 1 1 6 6 GLN N N 6 119.262 119.262 118.564 0.698 25791 13488 1 35 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.098 0.030 25791 13489 1 35 . 1 1 6 6 GLN C C 6 179.018 179.018 178.325 0.693 25791 13490 1 35 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.888 0.201 25791 13491 1 35 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.178 0.532 25791 13492 1 35 . 1 1 6 6 GLN H H 6 7.848 7.848 7.946 -0.098 25791 13493 1 35 . 1 1 7 7 ILE N N 7 121.296 121.296 120.832 0.464 25791 13494 1 35 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.882 -0.299 25791 13495 1 35 . 1 1 7 7 ILE C C 7 177.833 177.833 178.062 -0.229 25791 13496 1 35 . 1 1 7 7 ILE CA C 7 65.129 65.129 62.796 2.333 25791 13497 1 35 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.164 1.042 25791 13498 1 35 . 1 1 7 7 ILE H H 7 8.095 8.095 7.244 0.851 25791 13499 1 35 . 1 1 8 8 MET N N 8 117.603 117.603 119.158 -1.555 25791 13500 1 35 . 1 1 8 8 MET HA H 8 3.985 3.985 4.024 -0.039 25791 13501 1 35 . 1 1 8 8 MET C C 8 177.355 177.355 178.821 -1.466 25791 13502 1 35 . 1 1 8 8 MET CA C 8 59.932 59.932 59.700 0.232 25791 13503 1 35 . 1 1 8 8 MET CB C 8 32.721 32.721 32.053 0.668 25791 13504 1 35 . 1 1 8 8 MET H H 8 8.672 8.672 8.133 0.539 25791 13505 1 35 . 1 1 9 9 ALA N N 9 118.774 118.774 121.534 -2.760 25791 13506 1 35 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.019 0.027 25791 13507 1 35 . 1 1 9 9 ALA C C 9 180.546 180.546 179.103 1.443 25791 13508 1 35 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.081 0.304 25791 13509 1 35 . 1 1 9 9 ALA CB C 9 17.898 17.898 18.085 -0.187 25791 13510 1 35 . 1 1 9 9 ALA H H 9 7.795 7.795 8.271 -0.476 25791 13511 1 35 . 1 1 10 10 ALA N N 10 120.854 120.854 121.596 -0.742 25791 13512 1 35 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.083 0.122 25791 13513 1 35 . 1 1 10 10 ALA C C 10 181.200 181.200 179.378 1.822 25791 13514 1 35 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.636 0.376 25791 13515 1 35 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.538 0.723 25791 13516 1 35 . 1 1 10 10 ALA H H 10 7.438 7.438 7.672 -0.234 25791 13517 1 35 . 1 1 11 11 LEU N N 11 120.775 120.775 118.358 2.417 25791 13518 1 35 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.730 0.018 25791 13519 1 35 . 1 1 11 11 LEU C C 11 179.041 179.041 179.120 -0.079 25791 13520 1 35 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.815 0.531 25791 13521 1 35 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.315 -1.338 25791 13522 1 35 . 1 1 11 11 LEU H H 11 8.757 8.757 8.477 0.280 25791 13523 1 35 . 1 1 12 12 ASN N N 12 116.313 116.313 117.344 -1.031 25791 13524 1 35 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.510 0.054 25791 13525 1 35 . 1 1 12 12 ASN C C 12 178.900 178.900 177.555 1.345 25791 13526 1 35 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.701 -1.636 25791 13527 1 35 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.775 -1.782 25791 13528 1 35 . 1 1 12 12 ASN H H 12 8.850 8.850 8.307 0.543 25791 13529 1 35 . 1 1 13 13 SER N N 13 114.747 114.747 116.218 -1.471 25791 13530 1 35 . 1 1 13 13 SER HA H 13 4.370 4.370 4.149 0.221 25791 13531 1 35 . 1 1 13 13 SER C C 13 176.515 176.515 176.590 -0.075 25791 13532 1 35 . 1 1 13 13 SER CA C 13 61.141 61.141 61.824 -0.683 25791 13533 1 35 . 1 1 13 13 SER CB C 13 63.044 63.044 63.080 -0.036 25791 13534 1 35 . 1 1 13 13 SER H H 13 7.672 7.672 7.832 -0.160 25791 13535 1 35 . 1 1 14 14 GLN N N 14 119.954 119.954 118.756 1.198 25791 13536 1 35 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.151 0.067 25791 13537 1 35 . 1 1 14 14 GLN C C 14 178.208 178.208 177.208 1.000 25791 13538 1 35 . 1 1 14 14 GLN CA C 14 57.749 57.749 58.173 -0.424 25791 13539 1 35 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.551 0.149 25791 13540 1 35 . 1 1 14 14 GLN H H 14 7.573 7.573 7.776 -0.203 25791 13541 1 35 . 1 1 15 15 THR N N 15 107.493 107.493 106.515 0.978 25791 13542 1 35 . 1 1 15 15 THR HA H 15 3.899 3.899 4.481 -0.582 25791 13543 1 35 . 1 1 15 15 THR C C 15 174.683 174.683 174.903 -0.220 25791 13544 1 35 . 1 1 15 15 THR CA C 15 61.551 61.551 59.980 1.571 25791 13545 1 35 . 1 1 15 15 THR CB C 15 69.226 69.226 69.718 -0.492 25791 13546 1 35 . 1 1 15 15 THR H H 15 7.741 7.741 7.461 0.280 25791 13547 1 35 . 1 1 16 16 ALA N N 16 124.034 124.034 126.001 -1.967 25791 13548 1 35 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.029 0.106 25791 13549 1 35 . 1 1 16 16 ALA C C 16 179.899 179.899 178.824 1.075 25791 13550 1 35 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.729 0.478 25791 13551 1 35 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.247 0.478 25791 13552 1 35 . 1 1 16 16 ALA H H 16 6.873 6.873 7.327 -0.454 25791 13553 1 35 . 1 1 17 17 VAL N N 17 117.150 117.150 117.660 -0.510 25791 13554 1 35 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.740 -0.026 25791 13555 1 35 . 1 1 17 17 VAL C C 17 178.537 178.537 177.298 1.239 25791 13556 1 35 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.087 1.421 25791 13557 1 35 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.796 -0.103 25791 13558 1 35 . 1 1 17 17 VAL H H 17 8.162 8.162 8.419 -0.257 25791 13559 1 35 . 1 1 18 18 GLN N N 18 119.489 119.489 119.017 0.472 25791 13560 1 35 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.262 -0.205 25791 13561 1 35 . 1 1 18 18 GLN C C 18 180.429 180.429 178.709 1.720 25791 13562 1 35 . 1 1 18 18 GLN CA C 18 59.699 59.699 58.887 0.812 25791 13563 1 35 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.559 0.627 25791 13564 1 35 . 1 1 18 18 GLN H H 18 8.451 8.451 7.997 0.454 25791 13565 1 35 . 1 1 19 19 PHE N N 19 117.940 117.940 119.023 -1.083 25791 13566 1 35 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.496 0.334 25791 13567 1 35 . 1 1 19 19 PHE C C 19 177.858 177.858 178.169 -0.311 25791 13568 1 35 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.611 -1.582 25791 13569 1 35 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.307 -2.402 25791 13570 1 35 . 1 1 19 19 PHE H H 19 8.924 8.924 8.786 0.138 25791 13571 1 35 . 1 1 20 20 GLN N N 20 120.297 120.297 119.476 0.821 25791 13572 1 35 . 1 1 20 20 GLN HA H 20 4.106 4.106 4.033 0.073 25791 13573 1 35 . 1 1 20 20 GLN C C 20 178.986 178.986 178.628 0.358 25791 13574 1 35 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.539 0.024 25791 13575 1 35 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.535 -0.640 25791 13576 1 35 . 1 1 20 20 GLN H H 20 8.264 8.264 7.976 0.288 25791 13577 1 35 . 1 1 21 21 GLN N N 21 118.595 118.595 119.498 -0.903 25791 13578 1 35 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.075 0.007 25791 13579 1 35 . 1 1 21 21 GLN C C 21 178.806 178.806 178.583 0.223 25791 13580 1 35 . 1 1 21 21 GLN CA C 21 59.170 59.170 59.063 0.107 25791 13581 1 35 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.839 -0.643 25791 13582 1 35 . 1 1 21 21 GLN H H 21 8.527 8.527 8.399 0.128 25791 13583 1 35 . 1 1 22 22 TYR N N 22 119.594 119.594 121.631 -2.037 25791 13584 1 35 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.316 -0.069 25791 13585 1 35 . 1 1 22 22 TYR C C 22 177.789 177.789 177.391 0.398 25791 13586 1 35 . 1 1 22 22 TYR CA C 22 61.712 61.712 59.895 1.817 25791 13587 1 35 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.398 0.327 25791 13588 1 35 . 1 1 22 22 TYR H H 22 7.843 7.843 7.955 -0.112 25791 13589 1 35 . 1 1 23 23 ALA N N 23 120.663 120.663 121.237 -0.574 25791 13590 1 35 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.697 0.160 25791 13591 1 35 . 1 1 23 23 ALA C C 23 179.319 179.319 178.756 0.563 25791 13592 1 35 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.879 0.710 25791 13593 1 35 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.179 0.303 25791 13594 1 35 . 1 1 23 23 ALA H H 23 8.612 8.612 8.666 -0.054 25791 13595 1 35 . 1 1 24 24 ALA N N 24 119.002 119.002 120.223 -1.221 25791 13596 1 35 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.190 -0.252 25791 13597 1 35 . 1 1 24 24 ALA C C 24 178.987 178.987 178.970 0.017 25791 13598 1 35 . 1 1 24 24 ALA CA C 24 54.317 54.317 53.932 0.385 25791 13599 1 35 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.442 -0.551 25791 13600 1 35 . 1 1 24 24 ALA H H 24 8.168 8.168 7.861 0.307 25791 13601 1 35 . 1 1 25 25 GLN N N 25 115.599 115.599 117.284 -1.685 25791 13602 1 35 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.100 -0.096 25791 13603 1 35 . 1 1 25 25 GLN C C 25 177.818 177.818 178.103 -0.285 25791 13604 1 35 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.182 -0.729 25791 13605 1 35 . 1 1 25 25 GLN CB C 25 28.455 28.455 29.049 -0.594 25791 13606 1 35 . 1 1 25 25 GLN H H 25 7.300 7.300 7.579 -0.279 25791 13607 1 35 . 1 1 26 26 GLN N N 26 116.989 116.989 116.391 0.598 25791 13608 1 35 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.881 -0.177 25791 13609 1 35 . 1 1 26 26 GLN C C 26 175.979 175.979 176.018 -0.039 25791 13610 1 35 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.950 -0.162 25791 13611 1 35 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.515 -0.434 25791 13612 1 35 . 1 1 26 26 GLN H H 26 7.401 7.401 7.352 0.049 25791 13613 1 35 . 1 1 27 27 TYR N N 27 114.712 114.712 117.931 -3.219 25791 13614 1 35 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.895 0.183 25791 13615 1 35 . 1 1 27 27 TYR C C 27 172.931 172.931 173.674 -0.743 25791 13616 1 35 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.614 0.553 25791 13617 1 35 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.288 1.371 25791 13618 1 35 . 1 1 27 27 TYR H H 27 7.675 7.675 8.068 -0.393 25791 13619 1 35 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.442 -0.080 25791 13620 1 35 . 1 1 28 28 PRO C C 28 179.333 179.333 178.162 1.171 25791 13621 1 35 . 1 1 28 28 PRO CA C 28 64.394 64.394 63.931 0.463 25791 13622 1 35 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.661 -1.407 25791 13623 1 35 . 1 1 29 29 GLY N N 29 110.091 110.091 112.146 -2.055 25791 13624 1 35 . 1 1 29 29 GLY C C 29 173.218 173.218 174.547 -1.329 25791 13625 1 35 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.264 0.648 25791 13626 1 35 . 1 1 29 29 GLY H H 29 8.826 8.826 8.756 0.070 25791 13627 1 35 . 1 1 30 30 ASN N N 30 118.603 118.603 121.592 -2.989 25791 13628 1 35 . 1 1 30 30 ASN HA H 30 4.999 4.999 5.088 -0.089 25791 13629 1 35 . 1 1 30 30 ASN C C 30 173.977 173.977 174.697 -0.720 25791 13630 1 35 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.148 0.037 25791 13631 1 35 . 1 1 30 30 ASN CB C 30 38.426 38.426 38.129 0.297 25791 13632 1 35 . 1 1 30 30 ASN H H 30 7.293 7.293 7.724 -0.431 25791 13633 1 35 . 1 1 31 31 TYR N N 31 125.240 125.240 126.758 -1.518 25791 13634 1 35 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.299 -0.401 25791 13635 1 35 . 1 1 31 31 TYR C C 31 177.343 177.343 176.932 0.411 25791 13636 1 35 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.367 -0.556 25791 13637 1 35 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.835 -0.478 25791 13638 1 35 . 1 1 31 31 TYR H H 31 8.509 8.509 8.116 0.393 25791 13639 1 35 . 1 1 32 32 GLU N N 32 118.993 118.993 117.993 1.000 25791 13640 1 35 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.735 0.165 25791 13641 1 35 . 1 1 32 32 GLU C C 32 179.549 179.549 178.667 0.882 25791 13642 1 35 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.978 0.134 25791 13643 1 35 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.860 0.308 25791 13644 1 35 . 1 1 32 32 GLU H H 32 8.714 8.714 8.698 0.016 25791 13645 1 35 . 1 1 33 33 GLN N N 33 117.037 117.037 117.707 -0.670 25791 13646 1 35 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.794 -0.061 25791 13647 1 35 . 1 1 33 33 GLN C C 33 179.119 179.119 178.490 0.629 25791 13648 1 35 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.405 -0.703 25791 13649 1 35 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.663 -0.037 25791 13650 1 35 . 1 1 33 33 GLN H H 33 7.536 7.536 8.281 -0.745 25791 13651 1 35 . 1 1 34 34 GLN N N 34 117.723 117.723 119.582 -1.859 25791 13652 1 35 . 1 1 34 34 GLN HA H 34 3.811 3.811 3.980 -0.169 25791 13653 1 35 . 1 1 34 34 GLN C C 34 177.634 177.634 178.568 -0.934 25791 13654 1 35 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.328 0.837 25791 13655 1 35 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.499 -0.998 25791 13656 1 35 . 1 1 34 34 GLN H H 34 7.968 7.968 8.052 -0.084 25791 13657 1 35 . 1 1 35 35 GLN N N 35 115.293 115.293 118.632 -3.339 25791 13658 1 35 . 1 1 35 35 GLN HA H 35 3.791 3.791 3.941 -0.150 25791 13659 1 35 . 1 1 35 35 GLN C C 35 178.757 178.757 178.547 0.210 25791 13660 1 35 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.427 0.183 25791 13661 1 35 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.189 0.017 25791 13662 1 35 . 1 1 35 35 GLN H H 35 7.870 7.870 7.728 0.142 25791 13663 1 35 . 1 1 36 36 ILE N N 36 120.769 120.769 120.343 0.426 25791 13664 1 35 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.610 -0.046 25791 13665 1 35 . 1 1 36 36 ILE C C 36 178.273 178.273 178.141 0.132 25791 13666 1 35 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.135 0.101 25791 13667 1 35 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.584 0.789 25791 13668 1 35 . 1 1 36 36 ILE H H 36 7.503 7.503 7.990 -0.487 25791 13669 1 35 . 1 1 37 37 LEU N N 37 121.056 121.056 121.136 -0.080 25791 13670 1 35 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.028 0.281 25791 13671 1 35 . 1 1 37 37 LEU C C 37 178.348 178.348 178.091 0.257 25791 13672 1 35 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.692 0.042 25791 13673 1 35 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.697 -0.181 25791 13674 1 35 . 1 1 37 37 LEU H H 37 7.678 7.678 7.592 0.086 25791 13675 1 35 . 1 1 38 38 ILE N N 38 119.334 119.334 119.801 -0.467 25791 13676 1 35 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.394 -0.053 25791 13677 1 35 . 1 1 38 38 ILE C C 38 177.371 177.371 177.866 -0.495 25791 13678 1 35 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.571 1.514 25791 13679 1 35 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.485 0.864 25791 13680 1 35 . 1 1 38 38 ILE H H 38 8.702 8.702 8.041 0.661 25791 13681 1 35 . 1 1 39 39 ARG N N 39 117.798 117.798 119.754 -1.956 25791 13682 1 35 . 1 1 39 39 ARG HA H 39 4.215 4.215 3.969 0.246 25791 13683 1 35 . 1 1 39 39 ARG C C 39 179.555 179.555 179.110 0.445 25791 13684 1 35 . 1 1 39 39 ARG CA C 39 59.459 59.459 60.052 -0.593 25791 13685 1 35 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.889 -0.137 25791 13686 1 35 . 1 1 39 39 ARG H H 39 7.739 7.739 8.372 -0.633 25791 13687 1 35 . 1 1 40 40 GLN N N 40 119.432 119.432 118.744 0.688 25791 13688 1 35 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.051 0.086 25791 13689 1 35 . 1 1 40 40 GLN C C 40 179.522 179.522 178.630 0.892 25791 13690 1 35 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.930 0.330 25791 13691 1 35 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.707 -0.349 25791 13692 1 35 . 1 1 40 40 GLN H H 40 7.811 7.811 7.532 0.279 25791 13693 1 35 . 1 1 41 41 LEU N N 41 121.592 121.592 120.190 1.402 25791 13694 1 35 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.742 -0.055 25791 13695 1 35 . 1 1 41 41 LEU C C 41 178.974 178.974 179.050 -0.076 25791 13696 1 35 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.655 0.308 25791 13697 1 35 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.886 -1.034 25791 13698 1 35 . 1 1 41 41 LEU H H 41 8.648 8.648 8.136 0.512 25791 13699 1 35 . 1 1 42 42 GLN N N 42 119.054 119.054 118.576 0.478 25791 13700 1 35 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.321 0.223 25791 13701 1 35 . 1 1 42 42 GLN C C 42 180.176 180.176 178.799 1.377 25791 13702 1 35 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.454 -0.220 25791 13703 1 35 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.809 -0.889 25791 13704 1 35 . 1 1 42 42 GLN H H 42 8.641 8.641 8.594 0.047 25791 13705 1 35 . 1 1 43 43 GLU N N 43 121.517 121.517 121.255 0.262 25791 13706 1 35 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.039 0.197 25791 13707 1 35 . 1 1 43 43 GLU C C 43 179.721 179.721 178.977 0.744 25791 13708 1 35 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.718 -0.051 25791 13709 1 35 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.491 -0.233 25791 13710 1 35 . 1 1 43 43 GLU H H 43 8.111 8.111 7.994 0.117 25791 13711 1 35 . 1 1 44 44 GLN N N 44 119.240 119.240 118.003 1.237 25791 13712 1 35 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.035 0.081 25791 13713 1 35 . 1 1 44 44 GLN C C 44 179.012 179.012 178.412 0.600 25791 13714 1 35 . 1 1 44 44 GLN CA C 44 59.149 59.149 59.045 0.104 25791 13715 1 35 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.754 0.100 25791 13716 1 35 . 1 1 44 44 GLN H H 44 8.372 8.372 8.133 0.239 25791 13717 1 35 . 1 1 45 45 HIS N N 45 121.705 121.705 120.786 0.919 25791 13718 1 35 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.293 -0.013 25791 13719 1 35 . 1 1 45 45 HIS C C 45 176.395 176.395 177.283 -0.888 25791 13720 1 35 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.115 1.244 25791 13721 1 35 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.575 1.750 25791 13722 1 35 . 1 1 45 45 HIS H H 45 9.472 9.472 8.473 0.999 25791 13723 1 35 . 1 1 46 46 TYR N N 46 119.039 119.039 120.292 -1.253 25791 13724 1 35 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.047 -0.198 25791 13725 1 35 . 1 1 46 46 TYR C C 46 176.664 176.664 178.041 -1.377 25791 13726 1 35 . 1 1 46 46 TYR CA C 46 62.251 62.251 62.055 0.196 25791 13727 1 35 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.399 -0.727 25791 13728 1 35 . 1 1 46 46 TYR H H 46 8.253 8.253 8.415 -0.162 25791 13729 1 35 . 1 1 47 47 GLN N N 47 116.407 116.407 117.657 -1.250 25791 13730 1 35 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.754 0.030 25791 13731 1 35 . 1 1 47 47 GLN C C 47 179.048 179.048 178.404 0.644 25791 13732 1 35 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.208 -0.259 25791 13733 1 35 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.518 -0.337 25791 13734 1 35 . 1 1 47 47 GLN H H 47 7.814 7.814 8.286 -0.472 25791 13735 1 35 . 1 1 48 48 GLN N N 48 119.803 119.803 119.691 0.112 25791 13736 1 35 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.090 -0.113 25791 13737 1 35 . 1 1 48 48 GLN C C 48 177.741 177.741 178.263 -0.522 25791 13738 1 35 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.227 0.087 25791 13739 1 35 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.366 -0.038 25791 13740 1 35 . 1 1 48 48 GLN H H 48 8.645 8.645 8.340 0.305 25791 13741 1 35 . 1 1 49 49 TYR N N 49 121.342 121.342 121.912 -0.570 25791 13742 1 35 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.130 -0.490 25791 13743 1 35 . 1 1 49 49 TYR C C 49 176.021 176.021 177.499 -1.478 25791 13744 1 35 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.468 0.641 25791 13745 1 35 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.250 0.657 25791 13746 1 35 . 1 1 49 49 TYR H H 49 9.105 9.105 8.492 0.613 25791 13747 1 35 . 1 1 50 50 MET N N 50 115.522 115.522 118.216 -2.694 25791 13748 1 35 . 1 1 50 50 MET HA H 50 4.040 4.040 3.711 0.329 25791 13749 1 35 . 1 1 50 50 MET C C 50 179.841 179.841 178.306 1.535 25791 13750 1 35 . 1 1 50 50 MET CA C 50 56.623 56.623 56.797 -0.174 25791 13751 1 35 . 1 1 50 50 MET CB C 50 30.099 30.099 31.668 -1.569 25791 13752 1 35 . 1 1 50 50 MET H H 50 8.060 8.060 8.291 -0.231 25791 13753 1 35 . 1 1 51 51 GLN N N 51 118.942 118.942 117.979 0.963 25791 13754 1 35 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.905 0.160 25791 13755 1 35 . 1 1 51 51 GLN C C 51 178.707 178.707 178.667 0.040 25791 13756 1 35 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.101 -0.160 25791 13757 1 35 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.143 0.346 25791 13758 1 35 . 1 1 51 51 GLN H H 51 7.830 7.830 8.108 -0.278 25791 13759 1 35 . 1 1 52 52 GLN N N 52 119.210 119.210 119.873 -0.663 25791 13760 1 35 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.134 -0.077 25791 13761 1 35 . 1 1 52 52 GLN C C 52 178.738 178.738 178.396 0.342 25791 13762 1 35 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.008 0.741 25791 13763 1 35 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.389 0.014 25791 13764 1 35 . 1 1 52 52 GLN H H 52 8.187 8.187 7.786 0.401 25791 13765 1 35 . 1 1 53 53 LEU N N 53 121.233 121.233 121.591 -0.358 25791 13766 1 35 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.828 0.013 25791 13767 1 35 . 1 1 53 53 LEU C C 53 179.191 179.191 178.017 1.174 25791 13768 1 35 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.778 -0.033 25791 13769 1 35 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.180 0.686 25791 13770 1 35 . 1 1 53 53 LEU H H 53 8.441 8.441 8.208 0.233 25791 13771 1 35 . 1 1 54 54 TYR N N 54 118.505 118.505 119.243 -0.738 25791 13772 1 35 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.891 0.427 25791 13773 1 35 . 1 1 54 54 TYR C C 54 177.535 177.535 177.516 0.019 25791 13774 1 35 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.331 -1.854 25791 13775 1 35 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.368 -0.582 25791 13776 1 35 . 1 1 54 54 TYR H H 54 7.819 7.819 8.473 -0.654 25791 13777 1 35 . 1 1 55 55 GLN N N 55 117.299 117.299 117.663 -0.364 25791 13778 1 35 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.078 -0.179 25791 13779 1 35 . 1 1 55 55 GLN C C 55 179.041 179.041 178.539 0.502 25791 13780 1 35 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.929 -0.220 25791 13781 1 35 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.717 -0.502 25791 13782 1 35 . 1 1 55 55 GLN H H 55 7.735 7.735 7.669 0.066 25791 13783 1 35 . 1 1 56 56 VAL N N 56 120.879 120.879 120.211 0.668 25791 13784 1 35 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.675 0.117 25791 13785 1 35 . 1 1 56 56 VAL C C 56 178.262 178.262 178.103 0.159 25791 13786 1 35 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.362 -0.420 25791 13787 1 35 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.403 0.476 25791 13788 1 35 . 1 1 56 56 VAL H H 56 8.014 8.014 7.709 0.305 25791 13789 1 35 . 1 1 57 57 GLN N N 57 120.513 120.513 119.447 1.066 25791 13790 1 35 . 1 1 57 57 GLN HA H 57 4.060 4.060 4.039 0.021 25791 13791 1 35 . 1 1 57 57 GLN C C 57 178.772 178.772 178.377 0.395 25791 13792 1 35 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.420 0.196 25791 13793 1 35 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.809 0.176 25791 13794 1 35 . 1 1 57 57 GLN H H 57 8.103 8.103 8.318 -0.215 25791 13795 1 35 . 1 1 58 58 LEU N N 58 121.244 121.244 122.025 -0.781 25791 13796 1 35 . 1 1 58 58 LEU HA H 58 4.005 4.005 4.051 -0.046 25791 13797 1 35 . 1 1 58 58 LEU C C 58 179.134 179.134 178.384 0.750 25791 13798 1 35 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.184 0.322 25791 13799 1 35 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.191 0.612 25791 13800 1 35 . 1 1 58 58 LEU H H 58 8.176 8.176 8.218 -0.042 25791 13801 1 35 . 1 1 59 59 ALA N N 59 121.608 121.608 121.252 0.356 25791 13802 1 35 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.855 0.310 25791 13803 1 35 . 1 1 59 59 ALA C C 59 180.497 180.497 179.828 0.669 25791 13804 1 35 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.237 -0.655 25791 13805 1 35 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.208 -0.155 25791 13806 1 35 . 1 1 59 59 ALA H H 59 7.833 7.833 7.971 -0.138 25791 13807 1 35 . 1 1 60 60 GLN N N 60 118.335 118.335 117.297 1.038 25791 13808 1 35 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.962 0.186 25791 13809 1 35 . 1 1 60 60 GLN C C 60 178.334 178.334 178.429 -0.095 25791 13810 1 35 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.567 -0.590 25791 13811 1 35 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.712 -0.277 25791 13812 1 35 . 1 1 60 60 GLN H H 60 8.081 8.081 7.938 0.143 25791 13813 1 35 . 1 1 61 61 GLN N N 61 120.206 120.206 120.574 -0.368 25791 13814 1 35 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.954 0.208 25791 13815 1 35 . 1 1 61 61 GLN C C 61 178.002 178.002 178.418 -0.416 25791 13816 1 35 . 1 1 61 61 GLN CA C 61 57.905 57.905 59.062 -1.157 25791 13817 1 35 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.503 0.076 25791 13818 1 35 . 1 1 61 61 GLN H H 61 8.111 8.111 8.181 -0.070 25791 13819 1 35 . 1 1 62 62 GLN N N 62 118.980 118.980 118.749 0.231 25791 13820 1 35 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.044 0.085 25791 13821 1 35 . 1 1 62 62 GLN C C 62 177.624 177.624 178.297 -0.673 25791 13822 1 35 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.704 -1.068 25791 13823 1 35 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.644 -0.008 25791 13824 1 35 . 1 1 62 62 GLN H H 62 8.203 8.203 8.529 -0.326 25791 13825 1 35 . 1 1 63 63 ALA N N 63 122.712 122.712 121.268 1.444 25791 13826 1 35 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.066 0.140 25791 13827 1 35 . 1 1 63 63 ALA C C 63 178.922 178.922 178.624 0.298 25791 13828 1 35 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.349 -0.453 25791 13829 1 35 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.427 0.032 25791 13830 1 35 . 1 1 63 63 ALA H H 63 8.004 8.004 7.858 0.146 25791 13831 1 35 . 1 1 64 64 ALA N N 64 120.813 120.813 121.121 -0.308 25791 13832 1 35 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.158 0.074 25791 13833 1 35 . 1 1 64 64 ALA C C 64 178.732 178.732 178.943 -0.211 25791 13834 1 35 . 1 1 64 64 ALA CA C 64 53.516 53.516 53.970 -0.454 25791 13835 1 35 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.151 -0.521 25791 13836 1 35 . 1 1 64 64 ALA H H 64 7.837 7.837 7.650 0.187 25791 13837 1 35 . 1 1 65 65 LEU N N 65 119.196 119.196 118.400 0.796 25791 13838 1 35 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.190 0.067 25791 13839 1 35 . 1 1 65 65 LEU C C 65 178.038 178.038 177.692 0.346 25791 13840 1 35 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.186 -0.364 25791 13841 1 35 . 1 1 65 65 LEU CB C 65 42.264 42.264 41.917 0.347 25791 13842 1 35 . 1 1 65 65 LEU H H 65 7.765 7.765 7.752 0.013 25791 13843 1 35 . 1 1 66 66 GLN N N 66 119.365 119.365 113.405 5.960 25791 13844 1 35 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.989 0.286 25791 13845 1 35 . 1 1 66 66 GLN C C 66 176.120 176.120 175.875 0.245 25791 13846 1 35 . 1 1 66 66 GLN CA C 66 56.067 56.067 57.197 -1.130 25791 13847 1 35 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.734 2.398 25791 13848 1 35 . 1 1 66 66 GLN H H 66 7.967 7.967 8.200 -0.233 25791 13849 1 35 . 1 1 67 67 LYS N N 67 121.521 121.521 117.133 4.388 25791 13850 1 35 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.424 -0.115 25791 13851 1 35 . 1 1 67 67 LYS C C 67 176.437 176.437 175.236 1.201 25791 13852 1 35 . 1 1 67 67 LYS CA C 67 56.389 56.389 56.523 -0.134 25791 13853 1 35 . 1 1 67 67 LYS CB C 67 33.041 33.041 33.662 -0.621 25791 13854 1 35 . 1 1 67 67 LYS H H 67 8.053 8.053 8.264 -0.211 25791 13855 1 35 . 1 1 68 68 GLN N N 68 121.970 121.970 118.145 3.825 25791 13856 1 35 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.521 -0.182 25791 13857 1 35 . 1 1 68 68 GLN C C 68 175.120 175.120 175.439 -0.319 25791 13858 1 35 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.031 0.969 25791 13859 1 35 . 1 1 68 68 GLN CB C 68 29.498 29.498 30.969 -1.471 25791 13860 1 35 . 1 1 68 68 GLN H H 68 8.314 8.314 7.842 0.472 25791 13861 1 36 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.495 -0.048 25791 13862 1 36 . 1 1 2 2 GLN C C 2 176.144 176.144 176.723 -0.579 25791 13863 1 36 . 1 1 2 2 GLN CA C 2 56.209 56.209 55.521 0.688 25791 13864 1 36 . 1 1 2 2 GLN CB C 2 29.459 29.459 29.223 0.236 25791 13865 1 36 . 1 1 3 3 GLN N N 3 122.052 122.052 121.445 0.607 25791 13866 1 36 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.052 0.271 25791 13867 1 36 . 1 1 3 3 GLN C C 3 176.988 176.988 177.474 -0.486 25791 13868 1 36 . 1 1 3 3 GLN CA C 3 57.403 57.403 57.892 -0.488 25791 13869 1 36 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.029 1.210 25791 13870 1 36 . 1 1 3 3 GLN H H 3 8.780 8.780 8.780 -0.000 25791 13871 1 36 . 1 1 4 4 LYS N N 4 121.855 121.855 119.582 2.273 25791 13872 1 36 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.116 -0.112 25791 13873 1 36 . 1 1 4 4 LYS C C 4 177.638 177.638 178.612 -0.974 25791 13874 1 36 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.063 1.176 25791 13875 1 36 . 1 1 4 4 LYS CB C 4 32.699 32.699 31.909 0.790 25791 13876 1 36 . 1 1 4 4 LYS H H 4 8.528 8.528 8.305 0.223 25791 13877 1 36 . 1 1 5 5 GLN N N 5 116.397 116.397 117.853 -1.456 25791 13878 1 36 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.970 -0.029 25791 13879 1 36 . 1 1 5 5 GLN C C 5 178.761 178.761 178.361 0.400 25791 13880 1 36 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.890 0.459 25791 13881 1 36 . 1 1 5 5 GLN CB C 5 27.950 27.950 27.986 -0.036 25791 13882 1 36 . 1 1 5 5 GLN H H 5 8.223 8.223 7.927 0.296 25791 13883 1 36 . 1 1 6 6 GLN N N 6 119.262 119.262 118.861 0.401 25791 13884 1 36 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.152 -0.024 25791 13885 1 36 . 1 1 6 6 GLN C C 6 179.018 179.018 178.401 0.617 25791 13886 1 36 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.471 0.618 25791 13887 1 36 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.011 0.699 25791 13888 1 36 . 1 1 6 6 GLN H H 6 7.848 7.848 7.882 -0.034 25791 13889 1 36 . 1 1 7 7 ILE N N 7 121.296 121.296 121.665 -0.369 25791 13890 1 36 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.848 -0.265 25791 13891 1 36 . 1 1 7 7 ILE C C 7 177.833 177.833 178.132 -0.299 25791 13892 1 36 . 1 1 7 7 ILE CA C 7 65.129 65.129 63.123 2.006 25791 13893 1 36 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.257 0.949 25791 13894 1 36 . 1 1 7 7 ILE H H 7 8.095 8.095 7.414 0.681 25791 13895 1 36 . 1 1 8 8 MET N N 8 117.603 117.603 119.170 -1.567 25791 13896 1 36 . 1 1 8 8 MET HA H 8 3.985 3.985 4.044 -0.059 25791 13897 1 36 . 1 1 8 8 MET C C 8 177.355 177.355 178.794 -1.439 25791 13898 1 36 . 1 1 8 8 MET CA C 8 59.932 59.932 59.814 0.118 25791 13899 1 36 . 1 1 8 8 MET CB C 8 32.721 32.721 32.174 0.547 25791 13900 1 36 . 1 1 8 8 MET H H 8 8.672 8.672 8.501 0.171 25791 13901 1 36 . 1 1 9 9 ALA N N 9 118.774 118.774 121.248 -2.474 25791 13902 1 36 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.029 0.017 25791 13903 1 36 . 1 1 9 9 ALA C C 9 180.546 180.546 179.159 1.387 25791 13904 1 36 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.061 0.324 25791 13905 1 36 . 1 1 9 9 ALA CB C 9 17.898 17.898 18.083 -0.185 25791 13906 1 36 . 1 1 9 9 ALA H H 9 7.795 7.795 8.096 -0.301 25791 13907 1 36 . 1 1 10 10 ALA N N 10 120.854 120.854 121.667 -0.813 25791 13908 1 36 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.076 0.129 25791 13909 1 36 . 1 1 10 10 ALA C C 10 181.200 181.200 179.572 1.628 25791 13910 1 36 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.848 0.164 25791 13911 1 36 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.230 1.031 25791 13912 1 36 . 1 1 10 10 ALA H H 10 7.438 7.438 7.494 -0.056 25791 13913 1 36 . 1 1 11 11 LEU N N 11 120.775 120.775 118.592 2.183 25791 13914 1 36 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.682 0.066 25791 13915 1 36 . 1 1 11 11 LEU C C 11 179.041 179.041 179.151 -0.110 25791 13916 1 36 . 1 1 11 11 LEU CA C 11 58.346 58.346 58.112 0.234 25791 13917 1 36 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.204 -1.227 25791 13918 1 36 . 1 1 11 11 LEU H H 11 8.757 8.757 8.612 0.145 25791 13919 1 36 . 1 1 12 12 ASN N N 12 116.313 116.313 117.202 -0.889 25791 13920 1 36 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.588 -0.024 25791 13921 1 36 . 1 1 12 12 ASN C C 12 178.900 178.900 177.050 1.850 25791 13922 1 36 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.852 -1.787 25791 13923 1 36 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.666 -1.673 25791 13924 1 36 . 1 1 12 12 ASN H H 12 8.850 8.850 8.469 0.381 25791 13925 1 36 . 1 1 13 13 SER N N 13 114.747 114.747 116.106 -1.359 25791 13926 1 36 . 1 1 13 13 SER HA H 13 4.370 4.370 4.158 0.212 25791 13927 1 36 . 1 1 13 13 SER C C 13 176.515 176.515 177.058 -0.543 25791 13928 1 36 . 1 1 13 13 SER CA C 13 61.141 61.141 61.288 -0.147 25791 13929 1 36 . 1 1 13 13 SER CB C 13 63.044 63.044 63.244 -0.200 25791 13930 1 36 . 1 1 13 13 SER H H 13 7.672 7.672 7.876 -0.204 25791 13931 1 36 . 1 1 14 14 GLN N N 14 119.954 119.954 118.323 1.631 25791 13932 1 36 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.155 0.063 25791 13933 1 36 . 1 1 14 14 GLN C C 14 178.208 178.208 177.147 1.061 25791 13934 1 36 . 1 1 14 14 GLN CA C 14 57.749 57.749 57.968 -0.219 25791 13935 1 36 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.707 -0.007 25791 13936 1 36 . 1 1 14 14 GLN H H 14 7.573 7.573 7.862 -0.289 25791 13937 1 36 . 1 1 15 15 THR N N 15 107.493 107.493 106.291 1.202 25791 13938 1 36 . 1 1 15 15 THR HA H 15 3.899 3.899 4.487 -0.588 25791 13939 1 36 . 1 1 15 15 THR C C 15 174.683 174.683 174.732 -0.049 25791 13940 1 36 . 1 1 15 15 THR CA C 15 61.551 61.551 59.762 1.789 25791 13941 1 36 . 1 1 15 15 THR CB C 15 69.226 69.226 69.720 -0.494 25791 13942 1 36 . 1 1 15 15 THR H H 15 7.741 7.741 7.329 0.412 25791 13943 1 36 . 1 1 16 16 ALA N N 16 124.034 124.034 125.878 -1.844 25791 13944 1 36 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.078 0.057 25791 13945 1 36 . 1 1 16 16 ALA C C 16 179.899 179.899 178.630 1.269 25791 13946 1 36 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.629 0.578 25791 13947 1 36 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.023 0.701 25791 13948 1 36 . 1 1 16 16 ALA H H 16 6.873 6.873 7.648 -0.775 25791 13949 1 36 . 1 1 17 17 VAL N N 17 117.150 117.150 117.704 -0.554 25791 13950 1 36 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.789 -0.075 25791 13951 1 36 . 1 1 17 17 VAL C C 17 178.537 178.537 177.228 1.309 25791 13952 1 36 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.057 1.451 25791 13953 1 36 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.307 0.386 25791 13954 1 36 . 1 1 17 17 VAL H H 17 8.162 8.162 8.430 -0.268 25791 13955 1 36 . 1 1 18 18 GLN N N 18 119.489 119.489 119.753 -0.264 25791 13956 1 36 . 1 1 18 18 GLN HA H 18 4.057 4.057 3.995 0.062 25791 13957 1 36 . 1 1 18 18 GLN C C 18 180.429 180.429 178.871 1.558 25791 13958 1 36 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.290 0.409 25791 13959 1 36 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.371 0.815 25791 13960 1 36 . 1 1 18 18 GLN H H 18 8.451 8.451 7.982 0.469 25791 13961 1 36 . 1 1 19 19 PHE N N 19 117.940 117.940 118.823 -0.883 25791 13962 1 36 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.458 0.372 25791 13963 1 36 . 1 1 19 19 PHE C C 19 177.858 177.858 178.196 -0.338 25791 13964 1 36 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.980 -1.951 25791 13965 1 36 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.211 -2.306 25791 13966 1 36 . 1 1 19 19 PHE H H 19 8.924 8.924 8.558 0.366 25791 13967 1 36 . 1 1 20 20 GLN N N 20 120.297 120.297 119.456 0.841 25791 13968 1 36 . 1 1 20 20 GLN HA H 20 4.106 4.106 4.079 0.027 25791 13969 1 36 . 1 1 20 20 GLN C C 20 178.986 178.986 178.797 0.189 25791 13970 1 36 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.501 0.062 25791 13971 1 36 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.576 -0.681 25791 13972 1 36 . 1 1 20 20 GLN H H 20 8.264 8.264 8.085 0.179 25791 13973 1 36 . 1 1 21 21 GLN N N 21 118.595 118.595 118.875 -0.280 25791 13974 1 36 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.107 -0.025 25791 13975 1 36 . 1 1 21 21 GLN C C 21 178.806 178.806 178.636 0.170 25791 13976 1 36 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.695 0.475 25791 13977 1 36 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.552 -0.356 25791 13978 1 36 . 1 1 21 21 GLN H H 21 8.527 8.527 8.539 -0.012 25791 13979 1 36 . 1 1 22 22 TYR N N 22 119.594 119.594 121.138 -1.544 25791 13980 1 36 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.170 0.077 25791 13981 1 36 . 1 1 22 22 TYR C C 22 177.789 177.789 177.036 0.753 25791 13982 1 36 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.585 1.127 25791 13983 1 36 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.309 0.415 25791 13984 1 36 . 1 1 22 22 TYR H H 22 7.843 7.843 7.978 -0.135 25791 13985 1 36 . 1 1 23 23 ALA N N 23 120.663 120.663 121.543 -0.880 25791 13986 1 36 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.784 0.073 25791 13987 1 36 . 1 1 23 23 ALA C C 23 179.319 179.319 178.844 0.475 25791 13988 1 36 . 1 1 23 23 ALA CA C 23 55.589 55.589 55.059 0.530 25791 13989 1 36 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.180 0.302 25791 13990 1 36 . 1 1 23 23 ALA H H 23 8.612 8.612 8.707 -0.095 25791 13991 1 36 . 1 1 24 24 ALA N N 24 119.002 119.002 120.314 -1.312 25791 13992 1 36 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.126 -0.188 25791 13993 1 36 . 1 1 24 24 ALA C C 24 178.987 178.987 179.210 -0.223 25791 13994 1 36 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.159 0.158 25791 13995 1 36 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.522 -0.631 25791 13996 1 36 . 1 1 24 24 ALA H H 24 8.168 8.168 8.043 0.125 25791 13997 1 36 . 1 1 25 25 GLN N N 25 115.599 115.599 117.150 -1.551 25791 13998 1 36 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.034 -0.030 25791 13999 1 36 . 1 1 25 25 GLN C C 25 177.818 177.818 178.391 -0.573 25791 14000 1 36 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.156 -0.702 25791 14001 1 36 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.916 -0.461 25791 14002 1 36 . 1 1 25 25 GLN H H 25 7.300 7.300 7.563 -0.263 25791 14003 1 36 . 1 1 26 26 GLN N N 26 116.989 116.989 116.309 0.680 25791 14004 1 36 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.884 -0.180 25791 14005 1 36 . 1 1 26 26 GLN C C 26 175.979 175.979 175.856 0.123 25791 14006 1 36 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.855 -0.067 25791 14007 1 36 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.529 -0.449 25791 14008 1 36 . 1 1 26 26 GLN H H 26 7.401 7.401 7.502 -0.101 25791 14009 1 36 . 1 1 27 27 TYR N N 27 114.712 114.712 117.963 -3.251 25791 14010 1 36 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.859 0.219 25791 14011 1 36 . 1 1 27 27 TYR C C 27 172.931 172.931 173.618 -0.687 25791 14012 1 36 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.799 0.368 25791 14013 1 36 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.628 1.032 25791 14014 1 36 . 1 1 27 27 TYR H H 27 7.675 7.675 8.063 -0.388 25791 14015 1 36 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.385 -0.023 25791 14016 1 36 . 1 1 28 28 PRO C C 28 179.333 179.333 178.158 1.175 25791 14017 1 36 . 1 1 28 28 PRO CA C 28 64.394 64.394 63.758 0.636 25791 14018 1 36 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.293 -1.039 25791 14019 1 36 . 1 1 29 29 GLY N N 29 110.091 110.091 113.004 -2.913 25791 14020 1 36 . 1 1 29 29 GLY C C 29 173.218 173.218 174.523 -1.305 25791 14021 1 36 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.793 0.119 25791 14022 1 36 . 1 1 29 29 GLY H H 29 8.826 8.826 8.798 0.028 25791 14023 1 36 . 1 1 30 30 ASN N N 30 118.603 118.603 121.093 -2.490 25791 14024 1 36 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.833 0.166 25791 14025 1 36 . 1 1 30 30 ASN C C 30 173.977 173.977 174.878 -0.901 25791 14026 1 36 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.811 -0.626 25791 14027 1 36 . 1 1 30 30 ASN CB C 30 38.426 38.426 36.960 1.466 25791 14028 1 36 . 1 1 30 30 ASN H H 30 7.293 7.293 7.604 -0.311 25791 14029 1 36 . 1 1 31 31 TYR N N 31 125.240 125.240 126.590 -1.350 25791 14030 1 36 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.301 -0.403 25791 14031 1 36 . 1 1 31 31 TYR C C 31 177.343 177.343 177.055 0.288 25791 14032 1 36 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.265 -0.454 25791 14033 1 36 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.834 -0.477 25791 14034 1 36 . 1 1 31 31 TYR H H 31 8.509 8.509 7.947 0.562 25791 14035 1 36 . 1 1 32 32 GLU N N 32 118.993 118.993 118.175 0.818 25791 14036 1 36 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.762 0.138 25791 14037 1 36 . 1 1 32 32 GLU C C 32 179.549 179.549 178.732 0.817 25791 14038 1 36 . 1 1 32 32 GLU CA C 32 60.112 60.112 60.043 0.069 25791 14039 1 36 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.855 0.313 25791 14040 1 36 . 1 1 32 32 GLU H H 32 8.714 8.714 8.769 -0.055 25791 14041 1 36 . 1 1 33 33 GLN N N 33 117.037 117.037 117.810 -0.773 25791 14042 1 36 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.850 -0.117 25791 14043 1 36 . 1 1 33 33 GLN C C 33 179.119 179.119 178.484 0.635 25791 14044 1 36 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.300 -0.598 25791 14045 1 36 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.680 -0.054 25791 14046 1 36 . 1 1 33 33 GLN H H 33 7.536 7.536 8.286 -0.750 25791 14047 1 36 . 1 1 34 34 GLN N N 34 117.723 117.723 119.961 -2.238 25791 14048 1 36 . 1 1 34 34 GLN HA H 34 3.811 3.811 3.962 -0.151 25791 14049 1 36 . 1 1 34 34 GLN C C 34 177.634 177.634 178.540 -0.906 25791 14050 1 36 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.415 0.750 25791 14051 1 36 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.475 -0.974 25791 14052 1 36 . 1 1 34 34 GLN H H 34 7.968 7.968 8.354 -0.386 25791 14053 1 36 . 1 1 35 35 GLN N N 35 115.293 115.293 118.655 -3.362 25791 14054 1 36 . 1 1 35 35 GLN HA H 35 3.791 3.791 3.946 -0.155 25791 14055 1 36 . 1 1 35 35 GLN C C 35 178.757 178.757 178.548 0.209 25791 14056 1 36 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.377 0.233 25791 14057 1 36 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.174 0.031 25791 14058 1 36 . 1 1 35 35 GLN H H 35 7.870 7.870 7.891 -0.021 25791 14059 1 36 . 1 1 36 36 ILE N N 36 120.769 120.769 120.590 0.179 25791 14060 1 36 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.627 -0.063 25791 14061 1 36 . 1 1 36 36 ILE C C 36 178.273 178.273 178.123 0.150 25791 14062 1 36 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.186 0.050 25791 14063 1 36 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.630 0.743 25791 14064 1 36 . 1 1 36 36 ILE H H 36 7.503 7.503 7.900 -0.397 25791 14065 1 36 . 1 1 37 37 LEU N N 37 121.056 121.056 121.531 -0.475 25791 14066 1 36 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.010 0.299 25791 14067 1 36 . 1 1 37 37 LEU C C 37 178.348 178.348 178.149 0.199 25791 14068 1 36 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.875 -0.141 25791 14069 1 36 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.592 -0.076 25791 14070 1 36 . 1 1 37 37 LEU H H 37 7.678 7.678 7.952 -0.274 25791 14071 1 36 . 1 1 38 38 ILE N N 38 119.334 119.334 120.223 -0.889 25791 14072 1 36 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.364 -0.023 25791 14073 1 36 . 1 1 38 38 ILE C C 38 177.371 177.371 177.833 -0.462 25791 14074 1 36 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.887 1.198 25791 14075 1 36 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.568 0.781 25791 14076 1 36 . 1 1 38 38 ILE H H 38 8.702 8.702 8.354 0.348 25791 14077 1 36 . 1 1 39 39 ARG N N 39 117.798 117.798 119.923 -2.125 25791 14078 1 36 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.182 0.033 25791 14079 1 36 . 1 1 39 39 ARG C C 39 179.555 179.555 179.221 0.334 25791 14080 1 36 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.549 -0.090 25791 14081 1 36 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.937 -0.185 25791 14082 1 36 . 1 1 39 39 ARG H H 39 7.739 7.739 8.302 -0.563 25791 14083 1 36 . 1 1 40 40 GLN N N 40 119.432 119.432 118.555 0.877 25791 14084 1 36 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.089 0.048 25791 14085 1 36 . 1 1 40 40 GLN C C 40 179.522 179.522 178.530 0.992 25791 14086 1 36 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.393 0.867 25791 14087 1 36 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.551 -0.193 25791 14088 1 36 . 1 1 40 40 GLN H H 40 7.811 7.811 7.724 0.087 25791 14089 1 36 . 1 1 41 41 LEU N N 41 121.592 121.592 120.444 1.148 25791 14090 1 36 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.702 -0.015 25791 14091 1 36 . 1 1 41 41 LEU C C 41 178.974 178.974 178.891 0.083 25791 14092 1 36 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.629 0.334 25791 14093 1 36 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.924 -1.072 25791 14094 1 36 . 1 1 41 41 LEU H H 41 8.648 8.648 8.252 0.396 25791 14095 1 36 . 1 1 42 42 GLN N N 42 119.054 119.054 118.454 0.600 25791 14096 1 36 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.124 0.420 25791 14097 1 36 . 1 1 42 42 GLN C C 42 180.176 180.176 178.648 1.528 25791 14098 1 36 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.445 -0.211 25791 14099 1 36 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.687 -0.767 25791 14100 1 36 . 1 1 42 42 GLN H H 42 8.641 8.641 8.465 0.176 25791 14101 1 36 . 1 1 43 43 GLU N N 43 121.517 121.517 120.960 0.557 25791 14102 1 36 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.017 0.219 25791 14103 1 36 . 1 1 43 43 GLU C C 43 179.721 179.721 178.954 0.767 25791 14104 1 36 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.644 0.023 25791 14105 1 36 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.471 -0.213 25791 14106 1 36 . 1 1 43 43 GLU H H 43 8.111 8.111 7.805 0.306 25791 14107 1 36 . 1 1 44 44 GLN N N 44 119.240 119.240 118.231 1.009 25791 14108 1 36 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.018 0.098 25791 14109 1 36 . 1 1 44 44 GLN C C 44 179.012 179.012 178.395 0.617 25791 14110 1 36 . 1 1 44 44 GLN CA C 44 59.149 59.149 59.127 0.022 25791 14111 1 36 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.767 0.087 25791 14112 1 36 . 1 1 44 44 GLN H H 44 8.372 8.372 7.908 0.464 25791 14113 1 36 . 1 1 45 45 HIS N N 45 121.705 121.705 120.618 1.087 25791 14114 1 36 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.274 0.006 25791 14115 1 36 . 1 1 45 45 HIS C C 45 176.395 176.395 177.317 -0.922 25791 14116 1 36 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.094 1.264 25791 14117 1 36 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.537 1.788 25791 14118 1 36 . 1 1 45 45 HIS H H 45 9.472 9.472 8.462 1.010 25791 14119 1 36 . 1 1 46 46 TYR N N 46 119.039 119.039 120.676 -1.637 25791 14120 1 36 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.046 -0.197 25791 14121 1 36 . 1 1 46 46 TYR C C 46 176.664 176.664 178.045 -1.381 25791 14122 1 36 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.964 0.287 25791 14123 1 36 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.492 -0.820 25791 14124 1 36 . 1 1 46 46 TYR H H 46 8.253 8.253 8.434 -0.181 25791 14125 1 36 . 1 1 47 47 GLN N N 47 116.407 116.407 117.363 -0.956 25791 14126 1 36 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.915 -0.131 25791 14127 1 36 . 1 1 47 47 GLN C C 47 179.048 179.048 178.654 0.394 25791 14128 1 36 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.141 -0.192 25791 14129 1 36 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.076 0.104 25791 14130 1 36 . 1 1 47 47 GLN H H 47 7.814 7.814 8.426 -0.612 25791 14131 1 36 . 1 1 48 48 GLN N N 48 119.803 119.803 119.964 -0.161 25791 14132 1 36 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.089 -0.112 25791 14133 1 36 . 1 1 48 48 GLN C C 48 177.741 177.741 178.253 -0.512 25791 14134 1 36 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.287 0.027 25791 14135 1 36 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.312 0.016 25791 14136 1 36 . 1 1 48 48 GLN H H 48 8.645 8.645 8.376 0.269 25791 14137 1 36 . 1 1 49 49 TYR N N 49 121.342 121.342 122.150 -0.808 25791 14138 1 36 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.166 -0.526 25791 14139 1 36 . 1 1 49 49 TYR C C 49 176.021 176.021 177.535 -1.514 25791 14140 1 36 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.320 0.789 25791 14141 1 36 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.118 0.789 25791 14142 1 36 . 1 1 49 49 TYR H H 49 9.105 9.105 8.655 0.450 25791 14143 1 36 . 1 1 50 50 MET N N 50 115.522 115.522 118.282 -2.760 25791 14144 1 36 . 1 1 50 50 MET HA H 50 4.040 4.040 3.726 0.314 25791 14145 1 36 . 1 1 50 50 MET C C 50 179.841 179.841 178.351 1.490 25791 14146 1 36 . 1 1 50 50 MET CA C 50 56.623 56.623 57.105 -0.482 25791 14147 1 36 . 1 1 50 50 MET CB C 50 30.099 30.099 31.686 -1.587 25791 14148 1 36 . 1 1 50 50 MET H H 50 8.060 8.060 8.332 -0.272 25791 14149 1 36 . 1 1 51 51 GLN N N 51 118.942 118.942 117.821 1.121 25791 14150 1 36 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.922 0.143 25791 14151 1 36 . 1 1 51 51 GLN C C 51 178.707 178.707 178.604 0.103 25791 14152 1 36 . 1 1 51 51 GLN CA C 51 58.941 58.941 58.828 0.113 25791 14153 1 36 . 1 1 51 51 GLN CB C 51 28.489 28.489 27.983 0.506 25791 14154 1 36 . 1 1 51 51 GLN H H 51 7.830 7.830 7.896 -0.066 25791 14155 1 36 . 1 1 52 52 GLN N N 52 119.210 119.210 120.246 -1.036 25791 14156 1 36 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.237 -0.180 25791 14157 1 36 . 1 1 52 52 GLN C C 52 178.738 178.738 178.709 0.029 25791 14158 1 36 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.478 0.271 25791 14159 1 36 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.792 -0.389 25791 14160 1 36 . 1 1 52 52 GLN H H 52 8.187 8.187 7.917 0.270 25791 14161 1 36 . 1 1 53 53 LEU N N 53 121.233 121.233 121.266 -0.033 25791 14162 1 36 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.815 0.026 25791 14163 1 36 . 1 1 53 53 LEU C C 53 179.191 179.191 178.008 1.183 25791 14164 1 36 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.726 0.019 25791 14165 1 36 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.195 0.671 25791 14166 1 36 . 1 1 53 53 LEU H H 53 8.441 8.441 8.248 0.193 25791 14167 1 36 . 1 1 54 54 TYR N N 54 118.505 118.505 119.336 -0.831 25791 14168 1 36 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.903 0.415 25791 14169 1 36 . 1 1 54 54 TYR C C 54 177.535 177.535 177.634 -0.099 25791 14170 1 36 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.188 -1.712 25791 14171 1 36 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.330 -0.544 25791 14172 1 36 . 1 1 54 54 TYR H H 54 7.819 7.819 8.321 -0.502 25791 14173 1 36 . 1 1 55 55 GLN N N 55 117.299 117.299 117.817 -0.518 25791 14174 1 36 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.096 -0.197 25791 14175 1 36 . 1 1 55 55 GLN C C 55 179.041 179.041 178.576 0.465 25791 14176 1 36 . 1 1 55 55 GLN CA C 55 58.709 58.709 59.035 -0.326 25791 14177 1 36 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.783 -0.568 25791 14178 1 36 . 1 1 55 55 GLN H H 55 7.735 7.735 7.704 0.031 25791 14179 1 36 . 1 1 56 56 VAL N N 56 120.879 120.879 119.483 1.396 25791 14180 1 36 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.691 0.101 25791 14181 1 36 . 1 1 56 56 VAL C C 56 178.262 178.262 177.880 0.382 25791 14182 1 36 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.217 -0.275 25791 14183 1 36 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.127 0.753 25791 14184 1 36 . 1 1 56 56 VAL H H 56 8.014 8.014 7.785 0.229 25791 14185 1 36 . 1 1 57 57 GLN N N 57 120.513 120.513 120.225 0.288 25791 14186 1 36 . 1 1 57 57 GLN HA H 57 4.060 4.060 4.023 0.037 25791 14187 1 36 . 1 1 57 57 GLN C C 57 178.772 178.772 178.319 0.453 25791 14188 1 36 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.361 0.255 25791 14189 1 36 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.667 0.318 25791 14190 1 36 . 1 1 57 57 GLN H H 57 8.103 8.103 8.474 -0.371 25791 14191 1 36 . 1 1 58 58 LEU N N 58 121.244 121.244 121.535 -0.291 25791 14192 1 36 . 1 1 58 58 LEU HA H 58 4.005 4.005 4.001 0.004 25791 14193 1 36 . 1 1 58 58 LEU C C 58 179.134 179.134 178.245 0.889 25791 14194 1 36 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.243 0.263 25791 14195 1 36 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.331 0.472 25791 14196 1 36 . 1 1 58 58 LEU H H 58 8.176 8.176 7.877 0.299 25791 14197 1 36 . 1 1 59 59 ALA N N 59 121.608 121.608 121.427 0.181 25791 14198 1 36 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.935 0.230 25791 14199 1 36 . 1 1 59 59 ALA C C 59 180.497 180.497 179.920 0.577 25791 14200 1 36 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.333 -0.751 25791 14201 1 36 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.052 0.001 25791 14202 1 36 . 1 1 59 59 ALA H H 59 7.833 7.833 8.079 -0.245 25791 14203 1 36 . 1 1 60 60 GLN N N 60 118.335 118.335 117.761 0.574 25791 14204 1 36 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.986 0.162 25791 14205 1 36 . 1 1 60 60 GLN C C 60 178.334 178.334 178.735 -0.401 25791 14206 1 36 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.495 -0.518 25791 14207 1 36 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.324 0.111 25791 14208 1 36 . 1 1 60 60 GLN H H 60 8.081 8.081 8.043 0.038 25791 14209 1 36 . 1 1 61 61 GLN N N 61 120.206 120.206 119.999 0.207 25791 14210 1 36 . 1 1 61 61 GLN HA H 61 4.162 4.162 4.035 0.127 25791 14211 1 36 . 1 1 61 61 GLN C C 61 178.002 178.002 178.490 -0.488 25791 14212 1 36 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.443 -0.538 25791 14213 1 36 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.298 0.281 25791 14214 1 36 . 1 1 61 61 GLN H H 61 8.111 8.111 8.012 0.099 25791 14215 1 36 . 1 1 62 62 GLN N N 62 118.980 118.980 118.848 0.132 25791 14216 1 36 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.005 0.124 25791 14217 1 36 . 1 1 62 62 GLN C C 62 177.624 177.624 178.236 -0.612 25791 14218 1 36 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.789 -1.153 25791 14219 1 36 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.691 -0.055 25791 14220 1 36 . 1 1 62 62 GLN H H 62 8.203 8.203 8.574 -0.371 25791 14221 1 36 . 1 1 63 63 ALA N N 63 122.712 122.712 121.694 1.018 25791 14222 1 36 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.391 -0.185 25791 14223 1 36 . 1 1 63 63 ALA C C 63 178.922 178.922 178.780 0.142 25791 14224 1 36 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.056 -0.160 25791 14225 1 36 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.457 0.002 25791 14226 1 36 . 1 1 63 63 ALA H H 63 8.004 8.004 8.006 -0.002 25791 14227 1 36 . 1 1 64 64 ALA N N 64 120.813 120.813 120.538 0.275 25791 14228 1 36 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.158 0.074 25791 14229 1 36 . 1 1 64 64 ALA C C 64 178.732 178.732 178.424 0.308 25791 14230 1 36 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.173 -0.657 25791 14231 1 36 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.135 -0.505 25791 14232 1 36 . 1 1 64 64 ALA H H 64 7.837 7.837 7.729 0.108 25791 14233 1 36 . 1 1 65 65 LEU N N 65 119.196 119.196 118.923 0.273 25791 14234 1 36 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.300 -0.043 25791 14235 1 36 . 1 1 65 65 LEU C C 65 178.038 178.038 177.758 0.280 25791 14236 1 36 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.151 -0.329 25791 14237 1 36 . 1 1 65 65 LEU CB C 65 42.264 42.264 41.910 0.354 25791 14238 1 36 . 1 1 65 65 LEU H H 65 7.765 7.765 7.300 0.465 25791 14239 1 36 . 1 1 66 66 GLN N N 66 119.365 119.365 115.245 4.120 25791 14240 1 36 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.896 0.379 25791 14241 1 36 . 1 1 66 66 GLN C C 66 176.120 176.120 175.717 0.403 25791 14242 1 36 . 1 1 66 66 GLN CA C 66 56.067 56.067 57.134 -1.067 25791 14243 1 36 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.640 2.491 25791 14244 1 36 . 1 1 66 66 GLN H H 66 7.967 7.967 8.445 -0.478 25791 14245 1 36 . 1 1 67 67 LYS N N 67 121.521 121.521 117.410 4.111 25791 14246 1 36 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.353 -0.044 25791 14247 1 36 . 1 1 67 67 LYS C C 67 176.437 176.437 174.842 1.595 25791 14248 1 36 . 1 1 67 67 LYS CA C 67 56.389 56.389 56.270 0.119 25791 14249 1 36 . 1 1 67 67 LYS CB C 67 33.041 33.041 33.289 -0.248 25791 14250 1 36 . 1 1 67 67 LYS H H 67 8.053 8.053 8.119 -0.066 25791 14251 1 36 . 1 1 68 68 GLN N N 68 121.970 121.970 119.132 2.838 25791 14252 1 36 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.434 -0.095 25791 14253 1 36 . 1 1 68 68 GLN C C 68 175.120 175.120 175.864 -0.744 25791 14254 1 36 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.718 0.282 25791 14255 1 36 . 1 1 68 68 GLN CB C 68 29.498 29.498 29.291 0.207 25791 14256 1 36 . 1 1 68 68 GLN H H 68 8.314 8.314 8.079 0.235 25791 14257 1 37 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.072 0.375 25791 14258 1 37 . 1 1 2 2 GLN C C 2 176.144 176.144 176.386 -0.242 25791 14259 1 37 . 1 1 2 2 GLN CA C 2 56.209 56.209 56.384 -0.175 25791 14260 1 37 . 1 1 2 2 GLN CB C 2 29.459 29.459 27.530 1.929 25791 14261 1 37 . 1 1 3 3 GLN N N 3 122.052 122.052 120.081 1.971 25791 14262 1 37 . 1 1 3 3 GLN HA H 3 4.323 4.323 3.902 0.421 25791 14263 1 37 . 1 1 3 3 GLN C C 3 176.988 176.988 177.816 -0.828 25791 14264 1 37 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.588 -1.185 25791 14265 1 37 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.445 0.794 25791 14266 1 37 . 1 1 3 3 GLN H H 3 8.780 8.780 8.764 0.016 25791 14267 1 37 . 1 1 4 4 LYS N N 4 121.855 121.855 119.447 2.408 25791 14268 1 37 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.051 -0.047 25791 14269 1 37 . 1 1 4 4 LYS C C 4 177.638 177.638 178.677 -1.039 25791 14270 1 37 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.063 1.175 25791 14271 1 37 . 1 1 4 4 LYS CB C 4 32.699 32.699 31.886 0.813 25791 14272 1 37 . 1 1 4 4 LYS H H 4 8.528 8.528 8.250 0.278 25791 14273 1 37 . 1 1 5 5 GLN N N 5 116.397 116.397 117.854 -1.457 25791 14274 1 37 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.898 0.043 25791 14275 1 37 . 1 1 5 5 GLN C C 5 178.761 178.761 178.320 0.441 25791 14276 1 37 . 1 1 5 5 GLN CA C 5 59.349 59.349 59.160 0.189 25791 14277 1 37 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.542 -0.592 25791 14278 1 37 . 1 1 5 5 GLN H H 5 8.223 8.223 8.206 0.017 25791 14279 1 37 . 1 1 6 6 GLN N N 6 119.262 119.262 118.758 0.504 25791 14280 1 37 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.101 0.027 25791 14281 1 37 . 1 1 6 6 GLN C C 6 179.018 179.018 178.377 0.641 25791 14282 1 37 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.516 0.574 25791 14283 1 37 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.015 0.695 25791 14284 1 37 . 1 1 6 6 GLN H H 6 7.848 7.848 7.817 0.031 25791 14285 1 37 . 1 1 7 7 ILE N N 7 121.296 121.296 121.418 -0.122 25791 14286 1 37 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.810 -0.227 25791 14287 1 37 . 1 1 7 7 ILE C C 7 177.833 177.833 178.048 -0.215 25791 14288 1 37 . 1 1 7 7 ILE CA C 7 65.129 65.129 63.036 2.093 25791 14289 1 37 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.175 1.032 25791 14290 1 37 . 1 1 7 7 ILE H H 7 8.095 8.095 7.361 0.734 25791 14291 1 37 . 1 1 8 8 MET N N 8 117.603 117.603 118.900 -1.297 25791 14292 1 37 . 1 1 8 8 MET HA H 8 3.985 3.985 4.043 -0.058 25791 14293 1 37 . 1 1 8 8 MET C C 8 177.355 177.355 178.932 -1.577 25791 14294 1 37 . 1 1 8 8 MET CA C 8 59.932 59.932 59.645 0.287 25791 14295 1 37 . 1 1 8 8 MET CB C 8 32.721 32.721 32.078 0.643 25791 14296 1 37 . 1 1 8 8 MET H H 8 8.672 8.672 8.541 0.131 25791 14297 1 37 . 1 1 9 9 ALA N N 9 118.774 118.774 121.660 -2.886 25791 14298 1 37 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.074 -0.028 25791 14299 1 37 . 1 1 9 9 ALA C C 9 180.546 180.546 179.259 1.287 25791 14300 1 37 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.044 0.341 25791 14301 1 37 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.994 -0.096 25791 14302 1 37 . 1 1 9 9 ALA H H 9 7.795 7.795 8.325 -0.530 25791 14303 1 37 . 1 1 10 10 ALA N N 10 120.854 120.854 121.661 -0.807 25791 14304 1 37 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.093 0.112 25791 14305 1 37 . 1 1 10 10 ALA C C 10 181.200 181.200 179.573 1.627 25791 14306 1 37 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.788 0.224 25791 14307 1 37 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.268 0.993 25791 14308 1 37 . 1 1 10 10 ALA H H 10 7.438 7.438 7.715 -0.277 25791 14309 1 37 . 1 1 11 11 LEU N N 11 120.775 120.775 118.638 2.137 25791 14310 1 37 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.747 0.001 25791 14311 1 37 . 1 1 11 11 LEU C C 11 179.041 179.041 179.191 -0.150 25791 14312 1 37 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.734 0.612 25791 14313 1 37 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.275 -1.298 25791 14314 1 37 . 1 1 11 11 LEU H H 11 8.757 8.757 8.609 0.148 25791 14315 1 37 . 1 1 12 12 ASN N N 12 116.313 116.313 117.066 -0.753 25791 14316 1 37 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.447 0.117 25791 14317 1 37 . 1 1 12 12 ASN C C 12 178.900 178.900 177.189 1.711 25791 14318 1 37 . 1 1 12 12 ASN CA C 12 54.065 54.065 56.206 -2.141 25791 14319 1 37 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.427 -1.434 25791 14320 1 37 . 1 1 12 12 ASN H H 12 8.850 8.850 8.078 0.772 25791 14321 1 37 . 1 1 13 13 SER N N 13 114.747 114.747 115.498 -0.751 25791 14322 1 37 . 1 1 13 13 SER HA H 13 4.370 4.370 4.156 0.214 25791 14323 1 37 . 1 1 13 13 SER C C 13 176.515 176.515 177.062 -0.547 25791 14324 1 37 . 1 1 13 13 SER CA C 13 61.141 61.141 61.300 -0.159 25791 14325 1 37 . 1 1 13 13 SER CB C 13 63.044 63.044 63.143 -0.099 25791 14326 1 37 . 1 1 13 13 SER H H 13 7.672 7.672 7.692 -0.020 25791 14327 1 37 . 1 1 14 14 GLN N N 14 119.954 119.954 117.607 2.347 25791 14328 1 37 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.184 0.034 25791 14329 1 37 . 1 1 14 14 GLN C C 14 178.208 178.208 176.628 1.580 25791 14330 1 37 . 1 1 14 14 GLN CA C 14 57.749 57.749 58.014 -0.265 25791 14331 1 37 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.692 0.008 25791 14332 1 37 . 1 1 14 14 GLN H H 14 7.573 7.573 7.814 -0.241 25791 14333 1 37 . 1 1 15 15 THR N N 15 107.493 107.493 107.310 0.183 25791 14334 1 37 . 1 1 15 15 THR HA H 15 3.899 3.899 4.446 -0.547 25791 14335 1 37 . 1 1 15 15 THR C C 15 174.683 174.683 174.308 0.375 25791 14336 1 37 . 1 1 15 15 THR CA C 15 61.551 61.551 60.269 1.282 25791 14337 1 37 . 1 1 15 15 THR CB C 15 69.226 69.226 69.096 0.130 25791 14338 1 37 . 1 1 15 15 THR H H 15 7.741 7.741 7.149 0.592 25791 14339 1 37 . 1 1 16 16 ALA N N 16 124.034 124.034 126.266 -2.232 25791 14340 1 37 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.006 0.129 25791 14341 1 37 . 1 1 16 16 ALA C C 16 179.899 179.899 178.493 1.406 25791 14342 1 37 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.658 0.548 25791 14343 1 37 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.099 0.625 25791 14344 1 37 . 1 1 16 16 ALA H H 16 6.873 6.873 7.190 -0.317 25791 14345 1 37 . 1 1 17 17 VAL N N 17 117.150 117.150 118.030 -0.880 25791 14346 1 37 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.696 0.018 25791 14347 1 37 . 1 1 17 17 VAL C C 17 178.537 178.537 177.319 1.218 25791 14348 1 37 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.237 1.271 25791 14349 1 37 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.590 0.103 25791 14350 1 37 . 1 1 17 17 VAL H H 17 8.162 8.162 8.405 -0.243 25791 14351 1 37 . 1 1 18 18 GLN N N 18 119.489 119.489 119.423 0.066 25791 14352 1 37 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.071 -0.014 25791 14353 1 37 . 1 1 18 18 GLN C C 18 180.429 180.429 178.774 1.655 25791 14354 1 37 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.113 0.586 25791 14355 1 37 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.512 0.674 25791 14356 1 37 . 1 1 18 18 GLN H H 18 8.451 8.451 7.995 0.456 25791 14357 1 37 . 1 1 19 19 PHE N N 19 117.940 117.940 118.831 -0.891 25791 14358 1 37 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.451 0.379 25791 14359 1 37 . 1 1 19 19 PHE C C 19 177.858 177.858 178.397 -0.539 25791 14360 1 37 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.606 -1.577 25791 14361 1 37 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.188 -2.283 25791 14362 1 37 . 1 1 19 19 PHE H H 19 8.924 8.924 8.754 0.170 25791 14363 1 37 . 1 1 20 20 GLN N N 20 120.297 120.297 119.366 0.931 25791 14364 1 37 . 1 1 20 20 GLN HA H 20 4.106 4.106 4.058 0.048 25791 14365 1 37 . 1 1 20 20 GLN C C 20 178.986 178.986 178.643 0.343 25791 14366 1 37 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.560 0.003 25791 14367 1 37 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.587 -0.692 25791 14368 1 37 . 1 1 20 20 GLN H H 20 8.264 8.264 8.136 0.128 25791 14369 1 37 . 1 1 21 21 GLN N N 21 118.595 118.595 119.376 -0.781 25791 14370 1 37 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.068 0.014 25791 14371 1 37 . 1 1 21 21 GLN C C 21 178.806 178.806 178.645 0.161 25791 14372 1 37 . 1 1 21 21 GLN CA C 21 59.170 59.170 59.012 0.158 25791 14373 1 37 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.895 -0.699 25791 14374 1 37 . 1 1 21 21 GLN H H 21 8.527 8.527 8.283 0.244 25791 14375 1 37 . 1 1 22 22 TYR N N 22 119.594 119.594 120.908 -1.314 25791 14376 1 37 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.158 0.089 25791 14377 1 37 . 1 1 22 22 TYR C C 22 177.789 177.789 177.118 0.671 25791 14378 1 37 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.621 1.091 25791 14379 1 37 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.349 0.375 25791 14380 1 37 . 1 1 22 22 TYR H H 22 7.843 7.843 8.158 -0.315 25791 14381 1 37 . 1 1 23 23 ALA N N 23 120.663 120.663 121.410 -0.747 25791 14382 1 37 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.796 0.061 25791 14383 1 37 . 1 1 23 23 ALA C C 23 179.319 179.319 178.805 0.514 25791 14384 1 37 . 1 1 23 23 ALA CA C 23 55.589 55.589 55.033 0.556 25791 14385 1 37 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.192 0.290 25791 14386 1 37 . 1 1 23 23 ALA H H 23 8.612 8.612 8.477 0.135 25791 14387 1 37 . 1 1 24 24 ALA N N 24 119.002 119.002 120.262 -1.260 25791 14388 1 37 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.117 -0.179 25791 14389 1 37 . 1 1 24 24 ALA C C 24 178.987 178.987 179.169 -0.182 25791 14390 1 37 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.136 0.181 25791 14391 1 37 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.466 -0.575 25791 14392 1 37 . 1 1 24 24 ALA H H 24 8.168 8.168 8.070 0.098 25791 14393 1 37 . 1 1 25 25 GLN N N 25 115.599 115.599 116.920 -1.321 25791 14394 1 37 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.055 -0.051 25791 14395 1 37 . 1 1 25 25 GLN C C 25 177.818 177.818 178.297 -0.479 25791 14396 1 37 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.095 -0.641 25791 14397 1 37 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.973 -0.518 25791 14398 1 37 . 1 1 25 25 GLN H H 25 7.300 7.300 7.601 -0.301 25791 14399 1 37 . 1 1 26 26 GLN N N 26 116.989 116.989 116.591 0.398 25791 14400 1 37 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.872 -0.168 25791 14401 1 37 . 1 1 26 26 GLN C C 26 175.979 175.979 175.981 -0.002 25791 14402 1 37 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.847 -0.059 25791 14403 1 37 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.512 -0.433 25791 14404 1 37 . 1 1 26 26 GLN H H 26 7.401 7.401 7.437 -0.036 25791 14405 1 37 . 1 1 27 27 TYR N N 27 114.712 114.712 118.053 -3.341 25791 14406 1 37 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.872 0.206 25791 14407 1 37 . 1 1 27 27 TYR C C 27 172.931 172.931 173.659 -0.728 25791 14408 1 37 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.706 0.461 25791 14409 1 37 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.454 1.206 25791 14410 1 37 . 1 1 27 27 TYR H H 27 7.675 7.675 8.157 -0.482 25791 14411 1 37 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.380 -0.018 25791 14412 1 37 . 1 1 28 28 PRO C C 28 179.333 179.333 178.164 1.169 25791 14413 1 37 . 1 1 28 28 PRO CA C 28 64.394 64.394 63.736 0.658 25791 14414 1 37 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.310 -1.056 25791 14415 1 37 . 1 1 29 29 GLY N N 29 110.091 110.091 112.794 -2.703 25791 14416 1 37 . 1 1 29 29 GLY C C 29 173.218 173.218 174.529 -1.311 25791 14417 1 37 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.859 0.053 25791 14418 1 37 . 1 1 29 29 GLY H H 29 8.826 8.826 8.799 0.027 25791 14419 1 37 . 1 1 30 30 ASN N N 30 118.603 118.603 122.200 -3.597 25791 14420 1 37 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.914 0.085 25791 14421 1 37 . 1 1 30 30 ASN C C 30 173.977 173.977 175.659 -1.682 25791 14422 1 37 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.590 -0.404 25791 14423 1 37 . 1 1 30 30 ASN CB C 30 38.426 38.426 37.032 1.394 25791 14424 1 37 . 1 1 30 30 ASN H H 30 7.293 7.293 7.562 -0.269 25791 14425 1 37 . 1 1 31 31 TYR N N 31 125.240 125.240 122.129 3.111 25791 14426 1 37 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.186 -0.288 25791 14427 1 37 . 1 1 31 31 TYR C C 31 177.343 177.343 176.725 0.618 25791 14428 1 37 . 1 1 31 31 TYR CA C 31 61.811 61.811 61.318 0.493 25791 14429 1 37 . 1 1 31 31 TYR CB C 31 38.357 38.357 37.412 0.945 25791 14430 1 37 . 1 1 31 31 TYR H H 31 8.509 8.509 7.905 0.604 25791 14431 1 37 . 1 1 32 32 GLU N N 32 118.993 118.993 119.095 -0.102 25791 14432 1 37 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.796 0.104 25791 14433 1 37 . 1 1 32 32 GLU C C 32 179.549 179.549 178.882 0.667 25791 14434 1 37 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.035 1.077 25791 14435 1 37 . 1 1 32 32 GLU CB C 32 29.168 29.168 27.791 1.377 25791 14436 1 37 . 1 1 32 32 GLU H H 32 8.714 8.714 7.664 1.050 25791 14437 1 37 . 1 1 33 33 GLN N N 33 117.037 117.037 118.798 -1.761 25791 14438 1 37 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.818 -0.085 25791 14439 1 37 . 1 1 33 33 GLN C C 33 179.119 179.119 178.632 0.487 25791 14440 1 37 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.135 -0.433 25791 14441 1 37 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.438 0.188 25791 14442 1 37 . 1 1 33 33 GLN H H 33 7.536 7.536 7.648 -0.112 25791 14443 1 37 . 1 1 34 34 GLN N N 34 117.723 117.723 119.840 -2.117 25791 14444 1 37 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.056 -0.245 25791 14445 1 37 . 1 1 34 34 GLN C C 34 177.634 177.634 178.628 -0.994 25791 14446 1 37 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.472 0.693 25791 14447 1 37 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.610 -1.109 25791 14448 1 37 . 1 1 34 34 GLN H H 34 7.968 7.968 8.400 -0.432 25791 14449 1 37 . 1 1 35 35 GLN N N 35 115.293 115.293 118.795 -3.502 25791 14450 1 37 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.140 -0.349 25791 14451 1 37 . 1 1 35 35 GLN C C 35 178.757 178.757 178.694 0.063 25791 14452 1 37 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.420 0.190 25791 14453 1 37 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.450 -0.245 25791 14454 1 37 . 1 1 35 35 GLN H H 35 7.870 7.870 8.026 -0.156 25791 14455 1 37 . 1 1 36 36 ILE N N 36 120.769 120.769 120.619 0.150 25791 14456 1 37 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.687 -0.123 25791 14457 1 37 . 1 1 36 36 ILE C C 36 178.273 178.273 178.231 0.042 25791 14458 1 37 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.210 0.026 25791 14459 1 37 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.655 0.718 25791 14460 1 37 . 1 1 36 36 ILE H H 36 7.503 7.503 8.132 -0.629 25791 14461 1 37 . 1 1 37 37 LEU N N 37 121.056 121.056 121.439 -0.383 25791 14462 1 37 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.090 0.219 25791 14463 1 37 . 1 1 37 37 LEU C C 37 178.348 178.348 178.184 0.164 25791 14464 1 37 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.820 -0.086 25791 14465 1 37 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.908 -0.393 25791 14466 1 37 . 1 1 37 37 LEU H H 37 7.678 7.678 7.747 -0.069 25791 14467 1 37 . 1 1 38 38 ILE N N 38 119.334 119.334 119.505 -0.171 25791 14468 1 37 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.512 -0.171 25791 14469 1 37 . 1 1 38 38 ILE C C 38 177.371 177.371 177.718 -0.347 25791 14470 1 37 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.633 1.452 25791 14471 1 37 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.792 0.557 25791 14472 1 37 . 1 1 38 38 ILE H H 38 8.702 8.702 8.258 0.444 25791 14473 1 37 . 1 1 39 39 ARG N N 39 117.798 117.798 119.725 -1.927 25791 14474 1 37 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.300 -0.085 25791 14475 1 37 . 1 1 39 39 ARG C C 39 179.555 179.555 178.497 1.058 25791 14476 1 37 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.120 0.339 25791 14477 1 37 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.548 0.204 25791 14478 1 37 . 1 1 39 39 ARG H H 39 7.739 7.739 8.522 -0.783 25791 14479 1 37 . 1 1 40 40 GLN N N 40 119.432 119.432 119.748 -0.316 25791 14480 1 37 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.090 0.047 25791 14481 1 37 . 1 1 40 40 GLN C C 40 179.522 179.522 178.694 0.828 25791 14482 1 37 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.706 0.554 25791 14483 1 37 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.613 -0.255 25791 14484 1 37 . 1 1 40 40 GLN H H 40 7.811 7.811 7.593 0.218 25791 14485 1 37 . 1 1 41 41 LEU N N 41 121.592 121.592 120.368 1.224 25791 14486 1 37 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.851 -0.164 25791 14487 1 37 . 1 1 41 41 LEU C C 41 178.974 178.974 178.946 0.028 25791 14488 1 37 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.434 0.529 25791 14489 1 37 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.841 -0.989 25791 14490 1 37 . 1 1 41 41 LEU H H 41 8.648 8.648 7.972 0.676 25791 14491 1 37 . 1 1 42 42 GLN N N 42 119.054 119.054 119.143 -0.089 25791 14492 1 37 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.298 0.246 25791 14493 1 37 . 1 1 42 42 GLN C C 42 180.176 180.176 178.702 1.474 25791 14494 1 37 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.699 -0.465 25791 14495 1 37 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.720 -0.800 25791 14496 1 37 . 1 1 42 42 GLN H H 42 8.641 8.641 8.595 0.046 25791 14497 1 37 . 1 1 43 43 GLU N N 43 121.517 121.517 121.024 0.493 25791 14498 1 37 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.035 0.201 25791 14499 1 37 . 1 1 43 43 GLU C C 43 179.721 179.721 179.036 0.685 25791 14500 1 37 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.667 0.000 25791 14501 1 37 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.525 -0.267 25791 14502 1 37 . 1 1 43 43 GLU H H 43 8.111 8.111 7.946 0.165 25791 14503 1 37 . 1 1 44 44 GLN N N 44 119.240 119.240 118.170 1.070 25791 14504 1 37 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.053 0.063 25791 14505 1 37 . 1 1 44 44 GLN C C 44 179.012 179.012 178.422 0.590 25791 14506 1 37 . 1 1 44 44 GLN CA C 44 59.149 59.149 59.074 0.075 25791 14507 1 37 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.779 0.076 25791 14508 1 37 . 1 1 44 44 GLN H H 44 8.372 8.372 8.248 0.124 25791 14509 1 37 . 1 1 45 45 HIS N N 45 121.705 121.705 120.923 0.782 25791 14510 1 37 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.294 -0.014 25791 14511 1 37 . 1 1 45 45 HIS C C 45 176.395 176.395 177.342 -0.947 25791 14512 1 37 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.147 1.212 25791 14513 1 37 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.590 1.735 25791 14514 1 37 . 1 1 45 45 HIS H H 45 9.472 9.472 8.499 0.973 25791 14515 1 37 . 1 1 46 46 TYR N N 46 119.039 119.039 120.662 -1.623 25791 14516 1 37 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.040 -0.191 25791 14517 1 37 . 1 1 46 46 TYR C C 46 176.664 176.664 178.056 -1.392 25791 14518 1 37 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.929 0.321 25791 14519 1 37 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.533 -0.861 25791 14520 1 37 . 1 1 46 46 TYR H H 46 8.253 8.253 8.574 -0.321 25791 14521 1 37 . 1 1 47 47 GLN N N 47 116.407 116.407 117.194 -0.787 25791 14522 1 37 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.919 -0.135 25791 14523 1 37 . 1 1 47 47 GLN C C 47 179.048 179.048 178.569 0.479 25791 14524 1 37 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.547 -0.598 25791 14525 1 37 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.152 0.029 25791 14526 1 37 . 1 1 47 47 GLN H H 47 7.814 7.814 8.694 -0.880 25791 14527 1 37 . 1 1 48 48 GLN N N 48 119.803 119.803 119.793 0.010 25791 14528 1 37 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.077 -0.100 25791 14529 1 37 . 1 1 48 48 GLN C C 48 177.741 177.741 178.228 -0.487 25791 14530 1 37 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.343 -0.029 25791 14531 1 37 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.274 0.054 25791 14532 1 37 . 1 1 48 48 GLN H H 48 8.645 8.645 8.521 0.124 25791 14533 1 37 . 1 1 49 49 TYR N N 49 121.342 121.342 121.643 -0.301 25791 14534 1 37 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.118 -0.478 25791 14535 1 37 . 1 1 49 49 TYR C C 49 176.021 176.021 177.408 -1.387 25791 14536 1 37 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.711 0.398 25791 14537 1 37 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.092 0.815 25791 14538 1 37 . 1 1 49 49 TYR H H 49 9.105 9.105 8.605 0.500 25791 14539 1 37 . 1 1 50 50 MET N N 50 115.522 115.522 118.247 -2.725 25791 14540 1 37 . 1 1 50 50 MET HA H 50 4.040 4.040 3.714 0.326 25791 14541 1 37 . 1 1 50 50 MET C C 50 179.841 179.841 178.196 1.645 25791 14542 1 37 . 1 1 50 50 MET CA C 50 56.623 56.623 56.766 -0.143 25791 14543 1 37 . 1 1 50 50 MET CB C 50 30.099 30.099 31.715 -1.616 25791 14544 1 37 . 1 1 50 50 MET H H 50 8.060 8.060 8.251 -0.191 25791 14545 1 37 . 1 1 51 51 GLN N N 51 118.942 118.942 119.030 -0.088 25791 14546 1 37 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.911 0.154 25791 14547 1 37 . 1 1 51 51 GLN C C 51 178.707 178.707 178.404 0.303 25791 14548 1 37 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.175 -0.234 25791 14549 1 37 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.352 0.137 25791 14550 1 37 . 1 1 51 51 GLN H H 51 7.830 7.830 8.201 -0.371 25791 14551 1 37 . 1 1 52 52 GLN N N 52 119.210 119.210 119.541 -0.331 25791 14552 1 37 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.065 -0.008 25791 14553 1 37 . 1 1 52 52 GLN C C 52 178.738 178.738 178.314 0.424 25791 14554 1 37 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.357 0.392 25791 14555 1 37 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.881 -0.478 25791 14556 1 37 . 1 1 52 52 GLN H H 52 8.187 8.187 8.043 0.144 25791 14557 1 37 . 1 1 53 53 LEU N N 53 121.233 121.233 121.625 -0.392 25791 14558 1 37 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.811 0.030 25791 14559 1 37 . 1 1 53 53 LEU C C 53 179.191 179.191 178.014 1.177 25791 14560 1 37 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.750 -0.005 25791 14561 1 37 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.181 0.685 25791 14562 1 37 . 1 1 53 53 LEU H H 53 8.441 8.441 8.183 0.258 25791 14563 1 37 . 1 1 54 54 TYR N N 54 118.505 118.505 119.237 -0.732 25791 14564 1 37 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.933 0.385 25791 14565 1 37 . 1 1 54 54 TYR C C 54 177.535 177.535 177.564 -0.029 25791 14566 1 37 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.526 -2.050 25791 14567 1 37 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.516 -0.730 25791 14568 1 37 . 1 1 54 54 TYR H H 54 7.819 7.819 8.519 -0.700 25791 14569 1 37 . 1 1 55 55 GLN N N 55 117.299 117.299 117.547 -0.248 25791 14570 1 37 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.075 -0.176 25791 14571 1 37 . 1 1 55 55 GLN C C 55 179.041 179.041 178.215 0.826 25791 14572 1 37 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.899 -0.190 25791 14573 1 37 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.586 -0.371 25791 14574 1 37 . 1 1 55 55 GLN H H 55 7.735 7.735 7.702 0.033 25791 14575 1 37 . 1 1 56 56 VAL N N 56 120.879 120.879 120.490 0.389 25791 14576 1 37 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.625 0.167 25791 14577 1 37 . 1 1 56 56 VAL C C 56 178.262 178.262 177.840 0.422 25791 14578 1 37 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.485 -0.543 25791 14579 1 37 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.517 0.362 25791 14580 1 37 . 1 1 56 56 VAL H H 56 8.014 8.014 7.935 0.079 25791 14581 1 37 . 1 1 57 57 GLN N N 57 120.513 120.513 120.160 0.353 25791 14582 1 37 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.968 0.092 25791 14583 1 37 . 1 1 57 57 GLN C C 57 178.772 178.772 178.302 0.470 25791 14584 1 37 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.408 0.207 25791 14585 1 37 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.722 0.263 25791 14586 1 37 . 1 1 57 57 GLN H H 57 8.103 8.103 8.397 -0.294 25791 14587 1 37 . 1 1 58 58 LEU N N 58 121.244 121.244 121.192 0.052 25791 14588 1 37 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.985 0.020 25791 14589 1 37 . 1 1 58 58 LEU C C 58 179.134 179.134 178.249 0.885 25791 14590 1 37 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.100 0.406 25791 14591 1 37 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.243 0.560 25791 14592 1 37 . 1 1 58 58 LEU H H 58 8.176 8.176 7.777 0.399 25791 14593 1 37 . 1 1 59 59 ALA N N 59 121.608 121.608 121.443 0.165 25791 14594 1 37 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.926 0.239 25791 14595 1 37 . 1 1 59 59 ALA C C 59 180.497 180.497 179.846 0.651 25791 14596 1 37 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.247 -0.665 25791 14597 1 37 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.145 -0.092 25791 14598 1 37 . 1 1 59 59 ALA H H 59 7.833 7.833 8.022 -0.189 25791 14599 1 37 . 1 1 60 60 GLN N N 60 118.335 118.335 117.789 0.546 25791 14600 1 37 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.910 0.238 25791 14601 1 37 . 1 1 60 60 GLN C C 60 178.334 178.334 178.440 -0.106 25791 14602 1 37 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.812 -0.835 25791 14603 1 37 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.651 -0.216 25791 14604 1 37 . 1 1 60 60 GLN H H 60 8.081 8.081 7.844 0.237 25791 14605 1 37 . 1 1 61 61 GLN N N 61 120.206 120.206 119.853 0.353 25791 14606 1 37 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.954 0.208 25791 14607 1 37 . 1 1 61 61 GLN C C 61 178.002 178.002 178.502 -0.500 25791 14608 1 37 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.963 -1.058 25791 14609 1 37 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.537 0.042 25791 14610 1 37 . 1 1 61 61 GLN H H 61 8.111 8.111 8.172 -0.061 25791 14611 1 37 . 1 1 62 62 GLN N N 62 118.980 118.980 118.405 0.575 25791 14612 1 37 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.077 0.052 25791 14613 1 37 . 1 1 62 62 GLN C C 62 177.624 177.624 178.290 -0.666 25791 14614 1 37 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.549 -0.913 25791 14615 1 37 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.530 0.106 25791 14616 1 37 . 1 1 62 62 GLN H H 62 8.203 8.203 8.434 -0.231 25791 14617 1 37 . 1 1 63 63 ALA N N 63 122.712 122.712 121.647 1.065 25791 14618 1 37 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.145 0.061 25791 14619 1 37 . 1 1 63 63 ALA C C 63 178.922 178.922 178.791 0.131 25791 14620 1 37 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.362 -0.466 25791 14621 1 37 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.199 0.260 25791 14622 1 37 . 1 1 63 63 ALA H H 63 8.004 8.004 8.024 -0.020 25791 14623 1 37 . 1 1 64 64 ALA N N 64 120.813 120.813 121.019 -0.206 25791 14624 1 37 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.152 0.080 25791 14625 1 37 . 1 1 64 64 ALA C C 64 178.732 178.732 178.919 -0.187 25791 14626 1 37 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.099 -0.583 25791 14627 1 37 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.193 -0.563 25791 14628 1 37 . 1 1 64 64 ALA H H 64 7.837 7.837 7.619 0.218 25791 14629 1 37 . 1 1 65 65 LEU N N 65 119.196 119.196 118.161 1.035 25791 14630 1 37 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.238 0.019 25791 14631 1 37 . 1 1 65 65 LEU C C 65 178.038 178.038 177.868 0.170 25791 14632 1 37 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.100 -0.278 25791 14633 1 37 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.174 0.090 25791 14634 1 37 . 1 1 65 65 LEU H H 65 7.765 7.765 7.746 0.019 25791 14635 1 37 . 1 1 66 66 GLN N N 66 119.365 119.365 114.345 5.020 25791 14636 1 37 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.946 0.329 25791 14637 1 37 . 1 1 66 66 GLN C C 66 176.120 176.120 176.036 0.084 25791 14638 1 37 . 1 1 66 66 GLN CA C 66 56.067 56.067 56.935 -0.868 25791 14639 1 37 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.349 2.783 25791 14640 1 37 . 1 1 66 66 GLN H H 66 7.967 7.967 8.182 -0.215 25791 14641 1 37 . 1 1 67 67 LYS N N 67 121.521 121.521 119.036 2.485 25791 14642 1 37 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.280 0.029 25791 14643 1 37 . 1 1 67 67 LYS C C 67 176.437 176.437 176.026 0.411 25791 14644 1 37 . 1 1 67 67 LYS CA C 67 56.389 56.389 55.709 0.680 25791 14645 1 37 . 1 1 67 67 LYS CB C 67 33.041 33.041 32.790 0.251 25791 14646 1 37 . 1 1 67 67 LYS H H 67 8.053 8.053 8.050 0.003 25791 14647 1 37 . 1 1 68 68 GLN N N 68 121.970 121.970 118.175 3.795 25791 14648 1 37 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.004 0.335 25791 14649 1 37 . 1 1 68 68 GLN C C 68 175.120 175.120 175.451 -0.331 25791 14650 1 37 . 1 1 68 68 GLN CA C 68 56.000 56.000 56.472 -0.472 25791 14651 1 37 . 1 1 68 68 GLN CB C 68 29.498 29.498 26.867 2.631 25791 14652 1 37 . 1 1 68 68 GLN H H 68 8.314 8.314 8.351 -0.037 25791 14653 1 38 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.495 -0.048 25791 14654 1 38 . 1 1 2 2 GLN C C 2 176.144 176.144 176.722 -0.578 25791 14655 1 38 . 1 1 2 2 GLN CA C 2 56.209 56.209 55.520 0.689 25791 14656 1 38 . 1 1 2 2 GLN CB C 2 29.459 29.459 29.224 0.235 25791 14657 1 38 . 1 1 3 3 GLN N N 3 122.052 122.052 121.449 0.603 25791 14658 1 38 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.052 0.271 25791 14659 1 38 . 1 1 3 3 GLN C C 3 176.988 176.988 177.476 -0.488 25791 14660 1 38 . 1 1 3 3 GLN CA C 3 57.403 57.403 57.893 -0.490 25791 14661 1 38 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.028 1.211 25791 14662 1 38 . 1 1 3 3 GLN H H 3 8.780 8.780 8.780 -0.000 25791 14663 1 38 . 1 1 4 4 LYS N N 4 121.855 121.855 119.578 2.277 25791 14664 1 38 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.116 -0.112 25791 14665 1 38 . 1 1 4 4 LYS C C 4 177.638 177.638 178.613 -0.975 25791 14666 1 38 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.063 1.176 25791 14667 1 38 . 1 1 4 4 LYS CB C 4 32.699 32.699 31.909 0.790 25791 14668 1 38 . 1 1 4 4 LYS H H 4 8.528 8.528 8.304 0.224 25791 14669 1 38 . 1 1 5 5 GLN N N 5 116.397 116.397 117.853 -1.456 25791 14670 1 38 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.970 -0.029 25791 14671 1 38 . 1 1 5 5 GLN C C 5 178.761 178.761 178.362 0.399 25791 14672 1 38 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.890 0.459 25791 14673 1 38 . 1 1 5 5 GLN CB C 5 27.950 27.950 27.984 -0.034 25791 14674 1 38 . 1 1 5 5 GLN H H 5 8.223 8.223 7.925 0.298 25791 14675 1 38 . 1 1 6 6 GLN N N 6 119.262 119.262 118.862 0.400 25791 14676 1 38 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.152 -0.024 25791 14677 1 38 . 1 1 6 6 GLN C C 6 179.018 179.018 178.399 0.619 25791 14678 1 38 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.470 0.619 25791 14679 1 38 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.009 0.701 25791 14680 1 38 . 1 1 6 6 GLN H H 6 7.848 7.848 7.887 -0.039 25791 14681 1 38 . 1 1 7 7 ILE N N 7 121.296 121.296 121.666 -0.370 25791 14682 1 38 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.848 -0.265 25791 14683 1 38 . 1 1 7 7 ILE C C 7 177.833 177.833 178.131 -0.298 25791 14684 1 38 . 1 1 7 7 ILE CA C 7 65.129 65.129 63.123 2.006 25791 14685 1 38 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.256 0.950 25791 14686 1 38 . 1 1 7 7 ILE H H 7 8.095 8.095 7.413 0.682 25791 14687 1 38 . 1 1 8 8 MET N N 8 117.603 117.603 119.170 -1.567 25791 14688 1 38 . 1 1 8 8 MET HA H 8 3.985 3.985 4.044 -0.059 25791 14689 1 38 . 1 1 8 8 MET C C 8 177.355 177.355 178.794 -1.439 25791 14690 1 38 . 1 1 8 8 MET CA C 8 59.932 59.932 59.814 0.118 25791 14691 1 38 . 1 1 8 8 MET CB C 8 32.721 32.721 32.174 0.547 25791 14692 1 38 . 1 1 8 8 MET H H 8 8.672 8.672 8.500 0.172 25791 14693 1 38 . 1 1 9 9 ALA N N 9 118.774 118.774 121.247 -2.473 25791 14694 1 38 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.028 0.018 25791 14695 1 38 . 1 1 9 9 ALA C C 9 180.546 180.546 179.160 1.386 25791 14696 1 38 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.061 0.324 25791 14697 1 38 . 1 1 9 9 ALA CB C 9 17.898 17.898 18.083 -0.185 25791 14698 1 38 . 1 1 9 9 ALA H H 9 7.795 7.795 8.095 -0.300 25791 14699 1 38 . 1 1 10 10 ALA N N 10 120.854 120.854 121.665 -0.811 25791 14700 1 38 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.076 0.129 25791 14701 1 38 . 1 1 10 10 ALA C C 10 181.200 181.200 179.572 1.628 25791 14702 1 38 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.848 0.164 25791 14703 1 38 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.230 1.031 25791 14704 1 38 . 1 1 10 10 ALA H H 10 7.438 7.438 7.495 -0.057 25791 14705 1 38 . 1 1 11 11 LEU N N 11 120.775 120.775 118.597 2.178 25791 14706 1 38 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.681 0.067 25791 14707 1 38 . 1 1 11 11 LEU C C 11 179.041 179.041 179.151 -0.110 25791 14708 1 38 . 1 1 11 11 LEU CA C 11 58.346 58.346 58.115 0.231 25791 14709 1 38 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.204 -1.227 25791 14710 1 38 . 1 1 11 11 LEU H H 11 8.757 8.757 8.611 0.146 25791 14711 1 38 . 1 1 12 12 ASN N N 12 116.313 116.313 117.198 -0.885 25791 14712 1 38 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.587 -0.023 25791 14713 1 38 . 1 1 12 12 ASN C C 12 178.900 178.900 177.049 1.851 25791 14714 1 38 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.852 -1.787 25791 14715 1 38 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.664 -1.671 25791 14716 1 38 . 1 1 12 12 ASN H H 12 8.850 8.850 8.467 0.383 25791 14717 1 38 . 1 1 13 13 SER N N 13 114.747 114.747 116.101 -1.354 25791 14718 1 38 . 1 1 13 13 SER HA H 13 4.370 4.370 4.157 0.213 25791 14719 1 38 . 1 1 13 13 SER C C 13 176.515 176.515 177.058 -0.543 25791 14720 1 38 . 1 1 13 13 SER CA C 13 61.141 61.141 61.286 -0.145 25791 14721 1 38 . 1 1 13 13 SER CB C 13 63.044 63.044 63.245 -0.201 25791 14722 1 38 . 1 1 13 13 SER H H 13 7.672 7.672 7.876 -0.204 25791 14723 1 38 . 1 1 14 14 GLN N N 14 119.954 119.954 118.321 1.633 25791 14724 1 38 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.155 0.063 25791 14725 1 38 . 1 1 14 14 GLN C C 14 178.208 178.208 177.148 1.060 25791 14726 1 38 . 1 1 14 14 GLN CA C 14 57.749 57.749 57.969 -0.220 25791 14727 1 38 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.707 -0.007 25791 14728 1 38 . 1 1 14 14 GLN H H 14 7.573 7.573 7.863 -0.290 25791 14729 1 38 . 1 1 15 15 THR N N 15 107.493 107.493 106.290 1.203 25791 14730 1 38 . 1 1 15 15 THR HA H 15 3.899 3.899 4.487 -0.588 25791 14731 1 38 . 1 1 15 15 THR C C 15 174.683 174.683 174.735 -0.052 25791 14732 1 38 . 1 1 15 15 THR CA C 15 61.551 61.551 59.767 1.784 25791 14733 1 38 . 1 1 15 15 THR CB C 15 69.226 69.226 69.722 -0.496 25791 14734 1 38 . 1 1 15 15 THR H H 15 7.741 7.741 7.329 0.412 25791 14735 1 38 . 1 1 16 16 ALA N N 16 124.034 124.034 125.879 -1.845 25791 14736 1 38 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.078 0.057 25791 14737 1 38 . 1 1 16 16 ALA C C 16 179.899 179.899 178.631 1.268 25791 14738 1 38 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.630 0.577 25791 14739 1 38 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.023 0.701 25791 14740 1 38 . 1 1 16 16 ALA H H 16 6.873 6.873 7.647 -0.774 25791 14741 1 38 . 1 1 17 17 VAL N N 17 117.150 117.150 117.703 -0.553 25791 14742 1 38 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.789 -0.075 25791 14743 1 38 . 1 1 17 17 VAL C C 17 178.537 178.537 177.228 1.309 25791 14744 1 38 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.056 1.452 25791 14745 1 38 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.307 0.386 25791 14746 1 38 . 1 1 17 17 VAL H H 17 8.162 8.162 8.430 -0.268 25791 14747 1 38 . 1 1 18 18 GLN N N 18 119.489 119.489 119.756 -0.267 25791 14748 1 38 . 1 1 18 18 GLN HA H 18 4.057 4.057 3.994 0.063 25791 14749 1 38 . 1 1 18 18 GLN C C 18 180.429 180.429 178.871 1.558 25791 14750 1 38 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.290 0.409 25791 14751 1 38 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.369 0.817 25791 14752 1 38 . 1 1 18 18 GLN H H 18 8.451 8.451 7.981 0.470 25791 14753 1 38 . 1 1 19 19 PHE N N 19 117.940 117.940 118.819 -0.879 25791 14754 1 38 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.457 0.373 25791 14755 1 38 . 1 1 19 19 PHE C C 19 177.858 177.858 178.198 -0.340 25791 14756 1 38 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.980 -1.952 25791 14757 1 38 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.209 -2.304 25791 14758 1 38 . 1 1 19 19 PHE H H 19 8.924 8.924 8.558 0.366 25791 14759 1 38 . 1 1 20 20 GLN N N 20 120.297 120.297 119.454 0.843 25791 14760 1 38 . 1 1 20 20 GLN HA H 20 4.106 4.106 4.078 0.028 25791 14761 1 38 . 1 1 20 20 GLN C C 20 178.986 178.986 178.797 0.189 25791 14762 1 38 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.500 0.063 25791 14763 1 38 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.575 -0.680 25791 14764 1 38 . 1 1 20 20 GLN H H 20 8.264 8.264 8.087 0.177 25791 14765 1 38 . 1 1 21 21 GLN N N 21 118.595 118.595 118.871 -0.276 25791 14766 1 38 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.108 -0.026 25791 14767 1 38 . 1 1 21 21 GLN C C 21 178.806 178.806 178.637 0.169 25791 14768 1 38 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.695 0.475 25791 14769 1 38 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.552 -0.356 25791 14770 1 38 . 1 1 21 21 GLN H H 21 8.527 8.527 8.539 -0.012 25791 14771 1 38 . 1 1 22 22 TYR N N 22 119.594 119.594 121.135 -1.541 25791 14772 1 38 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.170 0.077 25791 14773 1 38 . 1 1 22 22 TYR C C 22 177.789 177.789 177.035 0.754 25791 14774 1 38 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.578 1.134 25791 14775 1 38 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.309 0.416 25791 14776 1 38 . 1 1 22 22 TYR H H 22 7.843 7.843 7.977 -0.134 25791 14777 1 38 . 1 1 23 23 ALA N N 23 120.663 120.663 121.551 -0.888 25791 14778 1 38 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.784 0.073 25791 14779 1 38 . 1 1 23 23 ALA C C 23 179.319 179.319 178.844 0.475 25791 14780 1 38 . 1 1 23 23 ALA CA C 23 55.589 55.589 55.060 0.529 25791 14781 1 38 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.179 0.303 25791 14782 1 38 . 1 1 23 23 ALA H H 23 8.612 8.612 8.708 -0.096 25791 14783 1 38 . 1 1 24 24 ALA N N 24 119.002 119.002 120.307 -1.305 25791 14784 1 38 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.127 -0.189 25791 14785 1 38 . 1 1 24 24 ALA C C 24 178.987 178.987 179.208 -0.221 25791 14786 1 38 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.158 0.159 25791 14787 1 38 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.522 -0.631 25791 14788 1 38 . 1 1 24 24 ALA H H 24 8.168 8.168 8.042 0.126 25791 14789 1 38 . 1 1 25 25 GLN N N 25 115.599 115.599 117.148 -1.549 25791 14790 1 38 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.035 -0.031 25791 14791 1 38 . 1 1 25 25 GLN C C 25 177.818 177.818 178.390 -0.572 25791 14792 1 38 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.155 -0.701 25791 14793 1 38 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.917 -0.462 25791 14794 1 38 . 1 1 25 25 GLN H H 25 7.300 7.300 7.562 -0.262 25791 14795 1 38 . 1 1 26 26 GLN N N 26 116.989 116.989 116.308 0.681 25791 14796 1 38 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.885 -0.180 25791 14797 1 38 . 1 1 26 26 GLN C C 26 175.979 175.979 175.855 0.124 25791 14798 1 38 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.854 -0.066 25791 14799 1 38 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.531 -0.451 25791 14800 1 38 . 1 1 26 26 GLN H H 26 7.401 7.401 7.501 -0.100 25791 14801 1 38 . 1 1 27 27 TYR N N 27 114.712 114.712 117.967 -3.255 25791 14802 1 38 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.859 0.219 25791 14803 1 38 . 1 1 27 27 TYR C C 27 172.931 172.931 173.618 -0.687 25791 14804 1 38 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.799 0.368 25791 14805 1 38 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.631 1.029 25791 14806 1 38 . 1 1 27 27 TYR H H 27 7.675 7.675 8.062 -0.387 25791 14807 1 38 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.386 -0.024 25791 14808 1 38 . 1 1 28 28 PRO C C 28 179.333 179.333 178.159 1.174 25791 14809 1 38 . 1 1 28 28 PRO CA C 28 64.394 64.394 63.755 0.639 25791 14810 1 38 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.293 -1.039 25791 14811 1 38 . 1 1 29 29 GLY N N 29 110.091 110.091 113.007 -2.916 25791 14812 1 38 . 1 1 29 29 GLY C C 29 173.218 173.218 174.522 -1.304 25791 14813 1 38 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.795 0.117 25791 14814 1 38 . 1 1 29 29 GLY H H 29 8.826 8.826 8.799 0.027 25791 14815 1 38 . 1 1 30 30 ASN N N 30 118.603 118.603 121.096 -2.493 25791 14816 1 38 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.834 0.165 25791 14817 1 38 . 1 1 30 30 ASN C C 30 173.977 173.977 174.876 -0.899 25791 14818 1 38 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.809 -0.624 25791 14819 1 38 . 1 1 30 30 ASN CB C 30 38.426 38.426 36.963 1.463 25791 14820 1 38 . 1 1 30 30 ASN H H 30 7.293 7.293 7.604 -0.311 25791 14821 1 38 . 1 1 31 31 TYR N N 31 125.240 125.240 126.593 -1.353 25791 14822 1 38 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.301 -0.403 25791 14823 1 38 . 1 1 31 31 TYR C C 31 177.343 177.343 177.053 0.290 25791 14824 1 38 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.262 -0.451 25791 14825 1 38 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.834 -0.477 25791 14826 1 38 . 1 1 31 31 TYR H H 31 8.509 8.509 7.947 0.562 25791 14827 1 38 . 1 1 32 32 GLU N N 32 118.993 118.993 118.178 0.815 25791 14828 1 38 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.762 0.138 25791 14829 1 38 . 1 1 32 32 GLU C C 32 179.549 179.549 178.731 0.818 25791 14830 1 38 . 1 1 32 32 GLU CA C 32 60.112 60.112 60.042 0.070 25791 14831 1 38 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.854 0.314 25791 14832 1 38 . 1 1 32 32 GLU H H 32 8.714 8.714 8.770 -0.056 25791 14833 1 38 . 1 1 33 33 GLN N N 33 117.037 117.037 117.809 -0.772 25791 14834 1 38 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.850 -0.117 25791 14835 1 38 . 1 1 33 33 GLN C C 33 179.119 179.119 178.483 0.636 25791 14836 1 38 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.299 -0.597 25791 14837 1 38 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.681 -0.055 25791 14838 1 38 . 1 1 33 33 GLN H H 33 7.536 7.536 8.286 -0.750 25791 14839 1 38 . 1 1 34 34 GLN N N 34 117.723 117.723 119.966 -2.243 25791 14840 1 38 . 1 1 34 34 GLN HA H 34 3.811 3.811 3.963 -0.152 25791 14841 1 38 . 1 1 34 34 GLN C C 34 177.634 177.634 178.538 -0.904 25791 14842 1 38 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.418 0.747 25791 14843 1 38 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.477 -0.976 25791 14844 1 38 . 1 1 34 34 GLN H H 34 7.968 7.968 8.355 -0.387 25791 14845 1 38 . 1 1 35 35 GLN N N 35 115.293 115.293 118.658 -3.365 25791 14846 1 38 . 1 1 35 35 GLN HA H 35 3.791 3.791 3.946 -0.155 25791 14847 1 38 . 1 1 35 35 GLN C C 35 178.757 178.757 178.548 0.209 25791 14848 1 38 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.377 0.233 25791 14849 1 38 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.174 0.031 25791 14850 1 38 . 1 1 35 35 GLN H H 35 7.870 7.870 7.892 -0.022 25791 14851 1 38 . 1 1 36 36 ILE N N 36 120.769 120.769 120.594 0.175 25791 14852 1 38 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.627 -0.063 25791 14853 1 38 . 1 1 36 36 ILE C C 36 178.273 178.273 178.123 0.150 25791 14854 1 38 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.188 0.048 25791 14855 1 38 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.632 0.741 25791 14856 1 38 . 1 1 36 36 ILE H H 36 7.503 7.503 7.901 -0.398 25791 14857 1 38 . 1 1 37 37 LEU N N 37 121.056 121.056 121.532 -0.476 25791 14858 1 38 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.011 0.298 25791 14859 1 38 . 1 1 37 37 LEU C C 37 178.348 178.348 178.149 0.199 25791 14860 1 38 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.871 -0.137 25791 14861 1 38 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.593 -0.077 25791 14862 1 38 . 1 1 37 37 LEU H H 37 7.678 7.678 7.953 -0.275 25791 14863 1 38 . 1 1 38 38 ILE N N 38 119.334 119.334 120.231 -0.897 25791 14864 1 38 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.364 -0.023 25791 14865 1 38 . 1 1 38 38 ILE C C 38 177.371 177.371 177.832 -0.461 25791 14866 1 38 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.887 1.198 25791 14867 1 38 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.568 0.781 25791 14868 1 38 . 1 1 38 38 ILE H H 38 8.702 8.702 8.356 0.346 25791 14869 1 38 . 1 1 39 39 ARG N N 39 117.798 117.798 119.929 -2.131 25791 14870 1 38 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.182 0.033 25791 14871 1 38 . 1 1 39 39 ARG C C 39 179.555 179.555 179.221 0.334 25791 14872 1 38 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.551 -0.092 25791 14873 1 38 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.938 -0.186 25791 14874 1 38 . 1 1 39 39 ARG H H 39 7.739 7.739 8.305 -0.566 25791 14875 1 38 . 1 1 40 40 GLN N N 40 119.432 119.432 118.552 0.880 25791 14876 1 38 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.089 0.048 25791 14877 1 38 . 1 1 40 40 GLN C C 40 179.522 179.522 178.530 0.992 25791 14878 1 38 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.391 0.869 25791 14879 1 38 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.552 -0.194 25791 14880 1 38 . 1 1 40 40 GLN H H 40 7.811 7.811 7.724 0.087 25791 14881 1 38 . 1 1 41 41 LEU N N 41 121.592 121.592 120.450 1.142 25791 14882 1 38 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.702 -0.015 25791 14883 1 38 . 1 1 41 41 LEU C C 41 178.974 178.974 178.889 0.085 25791 14884 1 38 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.631 0.332 25791 14885 1 38 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.923 -1.071 25791 14886 1 38 . 1 1 41 41 LEU H H 41 8.648 8.648 8.253 0.395 25791 14887 1 38 . 1 1 42 42 GLN N N 42 119.054 119.054 118.451 0.603 25791 14888 1 38 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.123 0.420 25791 14889 1 38 . 1 1 42 42 GLN C C 42 180.176 180.176 178.650 1.526 25791 14890 1 38 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.445 -0.211 25791 14891 1 38 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.687 -0.767 25791 14892 1 38 . 1 1 42 42 GLN H H 42 8.641 8.641 8.465 0.176 25791 14893 1 38 . 1 1 43 43 GLU N N 43 121.517 121.517 120.956 0.561 25791 14894 1 38 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.017 0.219 25791 14895 1 38 . 1 1 43 43 GLU C C 43 179.721 179.721 178.955 0.766 25791 14896 1 38 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.643 0.024 25791 14897 1 38 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.471 -0.213 25791 14898 1 38 . 1 1 43 43 GLU H H 43 8.111 8.111 7.804 0.307 25791 14899 1 38 . 1 1 44 44 GLN N N 44 119.240 119.240 118.231 1.009 25791 14900 1 38 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.018 0.098 25791 14901 1 38 . 1 1 44 44 GLN C C 44 179.012 179.012 178.395 0.617 25791 14902 1 38 . 1 1 44 44 GLN CA C 44 59.149 59.149 59.127 0.022 25791 14903 1 38 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.767 0.087 25791 14904 1 38 . 1 1 44 44 GLN H H 44 8.372 8.372 7.908 0.464 25791 14905 1 38 . 1 1 45 45 HIS N N 45 121.705 121.705 120.616 1.089 25791 14906 1 38 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.274 0.006 25791 14907 1 38 . 1 1 45 45 HIS C C 45 176.395 176.395 177.317 -0.922 25791 14908 1 38 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.093 1.266 25791 14909 1 38 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.538 1.787 25791 14910 1 38 . 1 1 45 45 HIS H H 45 9.472 9.472 8.463 1.009 25791 14911 1 38 . 1 1 46 46 TYR N N 46 119.039 119.039 120.680 -1.641 25791 14912 1 38 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.046 -0.197 25791 14913 1 38 . 1 1 46 46 TYR C C 46 176.664 176.664 178.043 -1.379 25791 14914 1 38 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.964 0.287 25791 14915 1 38 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.492 -0.820 25791 14916 1 38 . 1 1 46 46 TYR H H 46 8.253 8.253 8.434 -0.181 25791 14917 1 38 . 1 1 47 47 GLN N N 47 116.407 116.407 117.361 -0.954 25791 14918 1 38 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.915 -0.131 25791 14919 1 38 . 1 1 47 47 GLN C C 47 179.048 179.048 178.654 0.394 25791 14920 1 38 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.141 -0.192 25791 14921 1 38 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.077 0.104 25791 14922 1 38 . 1 1 47 47 GLN H H 47 7.814 7.814 8.423 -0.609 25791 14923 1 38 . 1 1 48 48 GLN N N 48 119.803 119.803 119.962 -0.159 25791 14924 1 38 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.089 -0.112 25791 14925 1 38 . 1 1 48 48 GLN C C 48 177.741 177.741 178.253 -0.512 25791 14926 1 38 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.286 0.028 25791 14927 1 38 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.313 0.015 25791 14928 1 38 . 1 1 48 48 GLN H H 48 8.645 8.645 8.376 0.269 25791 14929 1 38 . 1 1 49 49 TYR N N 49 121.342 121.342 122.154 -0.812 25791 14930 1 38 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.166 -0.526 25791 14931 1 38 . 1 1 49 49 TYR C C 49 176.021 176.021 177.534 -1.513 25791 14932 1 38 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.325 0.784 25791 14933 1 38 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.118 0.789 25791 14934 1 38 . 1 1 49 49 TYR H H 49 9.105 9.105 8.655 0.450 25791 14935 1 38 . 1 1 50 50 MET N N 50 115.522 115.522 118.274 -2.752 25791 14936 1 38 . 1 1 50 50 MET HA H 50 4.040 4.040 3.727 0.313 25791 14937 1 38 . 1 1 50 50 MET C C 50 179.841 179.841 178.350 1.491 25791 14938 1 38 . 1 1 50 50 MET CA C 50 56.623 56.623 57.102 -0.479 25791 14939 1 38 . 1 1 50 50 MET CB C 50 30.099 30.099 31.687 -1.588 25791 14940 1 38 . 1 1 50 50 MET H H 50 8.060 8.060 8.329 -0.269 25791 14941 1 38 . 1 1 51 51 GLN N N 51 118.942 118.942 117.825 1.117 25791 14942 1 38 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.921 0.144 25791 14943 1 38 . 1 1 51 51 GLN C C 51 178.707 178.707 178.605 0.102 25791 14944 1 38 . 1 1 51 51 GLN CA C 51 58.941 58.941 58.831 0.110 25791 14945 1 38 . 1 1 51 51 GLN CB C 51 28.489 28.489 27.980 0.509 25791 14946 1 38 . 1 1 51 51 GLN H H 51 7.830 7.830 7.896 -0.066 25791 14947 1 38 . 1 1 52 52 GLN N N 52 119.210 119.210 120.241 -1.031 25791 14948 1 38 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.237 -0.180 25791 14949 1 38 . 1 1 52 52 GLN C C 52 178.738 178.738 178.710 0.028 25791 14950 1 38 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.480 0.269 25791 14951 1 38 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.791 -0.388 25791 14952 1 38 . 1 1 52 52 GLN H H 52 8.187 8.187 7.916 0.271 25791 14953 1 38 . 1 1 53 53 LEU N N 53 121.233 121.233 121.260 -0.027 25791 14954 1 38 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.815 0.026 25791 14955 1 38 . 1 1 53 53 LEU C C 53 179.191 179.191 178.008 1.183 25791 14956 1 38 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.722 0.023 25791 14957 1 38 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.196 0.670 25791 14958 1 38 . 1 1 53 53 LEU H H 53 8.441 8.441 8.248 0.193 25791 14959 1 38 . 1 1 54 54 TYR N N 54 118.505 118.505 119.341 -0.836 25791 14960 1 38 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.903 0.415 25791 14961 1 38 . 1 1 54 54 TYR C C 54 177.535 177.535 177.634 -0.099 25791 14962 1 38 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.187 -1.710 25791 14963 1 38 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.329 -0.543 25791 14964 1 38 . 1 1 54 54 TYR H H 54 7.819 7.819 8.323 -0.504 25791 14965 1 38 . 1 1 55 55 GLN N N 55 117.299 117.299 117.818 -0.519 25791 14966 1 38 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.095 -0.196 25791 14967 1 38 . 1 1 55 55 GLN C C 55 179.041 179.041 178.577 0.464 25791 14968 1 38 . 1 1 55 55 GLN CA C 55 58.709 58.709 59.036 -0.327 25791 14969 1 38 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.782 -0.567 25791 14970 1 38 . 1 1 55 55 GLN H H 55 7.735 7.735 7.704 0.031 25791 14971 1 38 . 1 1 56 56 VAL N N 56 120.879 120.879 119.479 1.400 25791 14972 1 38 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.691 0.101 25791 14973 1 38 . 1 1 56 56 VAL C C 56 178.262 178.262 177.880 0.382 25791 14974 1 38 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.218 -0.276 25791 14975 1 38 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.128 0.751 25791 14976 1 38 . 1 1 56 56 VAL H H 56 8.014 8.014 7.784 0.230 25791 14977 1 38 . 1 1 57 57 GLN N N 57 120.513 120.513 120.225 0.288 25791 14978 1 38 . 1 1 57 57 GLN HA H 57 4.060 4.060 4.023 0.037 25791 14979 1 38 . 1 1 57 57 GLN C C 57 178.772 178.772 178.319 0.453 25791 14980 1 38 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.361 0.255 25791 14981 1 38 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.666 0.320 25791 14982 1 38 . 1 1 57 57 GLN H H 57 8.103 8.103 8.472 -0.369 25791 14983 1 38 . 1 1 58 58 LEU N N 58 121.244 121.244 121.533 -0.289 25791 14984 1 38 . 1 1 58 58 LEU HA H 58 4.005 4.005 4.000 0.005 25791 14985 1 38 . 1 1 58 58 LEU C C 58 179.134 179.134 178.247 0.887 25791 14986 1 38 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.248 0.258 25791 14987 1 38 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.331 0.472 25791 14988 1 38 . 1 1 58 58 LEU H H 58 8.176 8.176 7.876 0.300 25791 14989 1 38 . 1 1 59 59 ALA N N 59 121.608 121.608 121.423 0.185 25791 14990 1 38 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.934 0.231 25791 14991 1 38 . 1 1 59 59 ALA C C 59 180.497 180.497 179.920 0.577 25791 14992 1 38 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.333 -0.751 25791 14993 1 38 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.051 0.002 25791 14994 1 38 . 1 1 59 59 ALA H H 59 7.833 7.833 8.076 -0.243 25791 14995 1 38 . 1 1 60 60 GLN N N 60 118.335 118.335 117.759 0.576 25791 14996 1 38 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.986 0.162 25791 14997 1 38 . 1 1 60 60 GLN C C 60 178.334 178.334 178.735 -0.401 25791 14998 1 38 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.496 -0.519 25791 14999 1 38 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.323 0.112 25791 15000 1 38 . 1 1 60 60 GLN H H 60 8.081 8.081 8.043 0.038 25791 15001 1 38 . 1 1 61 61 GLN N N 61 120.206 120.206 119.996 0.210 25791 15002 1 38 . 1 1 61 61 GLN HA H 61 4.162 4.162 4.035 0.127 25791 15003 1 38 . 1 1 61 61 GLN C C 61 178.002 178.002 178.491 -0.489 25791 15004 1 38 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.443 -0.538 25791 15005 1 38 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.298 0.281 25791 15006 1 38 . 1 1 61 61 GLN H H 61 8.111 8.111 8.010 0.101 25791 15007 1 38 . 1 1 62 62 GLN N N 62 118.980 118.980 118.848 0.132 25791 15008 1 38 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.005 0.124 25791 15009 1 38 . 1 1 62 62 GLN C C 62 177.624 177.624 178.236 -0.612 25791 15010 1 38 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.788 -1.152 25791 15011 1 38 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.692 -0.056 25791 15012 1 38 . 1 1 62 62 GLN H H 62 8.203 8.203 8.574 -0.371 25791 15013 1 38 . 1 1 63 63 ALA N N 63 122.712 122.712 121.700 1.012 25791 15014 1 38 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.390 -0.184 25791 15015 1 38 . 1 1 63 63 ALA C C 63 178.922 178.922 178.780 0.142 25791 15016 1 38 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.058 -0.162 25791 15017 1 38 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.457 0.002 25791 15018 1 38 . 1 1 63 63 ALA H H 63 8.004 8.004 8.008 -0.004 25791 15019 1 38 . 1 1 64 64 ALA N N 64 120.813 120.813 120.528 0.285 25791 15020 1 38 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.158 0.074 25791 15021 1 38 . 1 1 64 64 ALA C C 64 178.732 178.732 178.423 0.309 25791 15022 1 38 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.169 -0.653 25791 15023 1 38 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.135 -0.505 25791 15024 1 38 . 1 1 64 64 ALA H H 64 7.837 7.837 7.730 0.107 25791 15025 1 38 . 1 1 65 65 LEU N N 65 119.196 119.196 118.936 0.260 25791 15026 1 38 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.300 -0.043 25791 15027 1 38 . 1 1 65 65 LEU C C 65 178.038 178.038 177.762 0.276 25791 15028 1 38 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.153 -0.331 25791 15029 1 38 . 1 1 65 65 LEU CB C 65 42.264 42.264 41.910 0.354 25791 15030 1 38 . 1 1 65 65 LEU H H 65 7.765 7.765 7.302 0.463 25791 15031 1 38 . 1 1 66 66 GLN N N 66 119.365 119.365 115.238 4.127 25791 15032 1 38 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.896 0.379 25791 15033 1 38 . 1 1 66 66 GLN C C 66 176.120 176.120 175.719 0.401 25791 15034 1 38 . 1 1 66 66 GLN CA C 66 56.067 56.067 57.135 -1.068 25791 15035 1 38 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.641 2.491 25791 15036 1 38 . 1 1 66 66 GLN H H 66 7.967 7.967 8.448 -0.481 25791 15037 1 38 . 1 1 67 67 LYS N N 67 121.521 121.521 117.409 4.112 25791 15038 1 38 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.353 -0.044 25791 15039 1 38 . 1 1 67 67 LYS C C 67 176.437 176.437 174.843 1.594 25791 15040 1 38 . 1 1 67 67 LYS CA C 67 56.389 56.389 56.271 0.118 25791 15041 1 38 . 1 1 67 67 LYS CB C 67 33.041 33.041 33.289 -0.248 25791 15042 1 38 . 1 1 67 67 LYS H H 67 8.053 8.053 8.119 -0.066 25791 15043 1 38 . 1 1 68 68 GLN N N 68 121.970 121.970 119.133 2.837 25791 15044 1 38 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.434 -0.095 25791 15045 1 38 . 1 1 68 68 GLN C C 68 175.120 175.120 175.864 -0.744 25791 15046 1 38 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.718 0.282 25791 15047 1 38 . 1 1 68 68 GLN CB C 68 29.498 29.498 29.291 0.207 25791 15048 1 38 . 1 1 68 68 GLN H H 68 8.314 8.314 8.079 0.235 25791 15049 1 39 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.073 0.374 25791 15050 1 39 . 1 1 2 2 GLN C C 2 176.144 176.144 176.385 -0.241 25791 15051 1 39 . 1 1 2 2 GLN CA C 2 56.209 56.209 56.385 -0.176 25791 15052 1 39 . 1 1 2 2 GLN CB C 2 29.459 29.459 27.528 1.931 25791 15053 1 39 . 1 1 3 3 GLN N N 3 122.052 122.052 120.077 1.975 25791 15054 1 39 . 1 1 3 3 GLN HA H 3 4.323 4.323 3.902 0.421 25791 15055 1 39 . 1 1 3 3 GLN C C 3 176.988 176.988 177.815 -0.827 25791 15056 1 39 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.585 -1.182 25791 15057 1 39 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.445 0.794 25791 15058 1 39 . 1 1 3 3 GLN H H 3 8.780 8.780 8.764 0.016 25791 15059 1 39 . 1 1 4 4 LYS N N 4 121.855 121.855 119.447 2.408 25791 15060 1 39 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.052 -0.048 25791 15061 1 39 . 1 1 4 4 LYS C C 4 177.638 177.638 178.674 -1.036 25791 15062 1 39 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.060 1.179 25791 15063 1 39 . 1 1 4 4 LYS CB C 4 32.699 32.699 31.886 0.813 25791 15064 1 39 . 1 1 4 4 LYS H H 4 8.528 8.528 8.251 0.277 25791 15065 1 39 . 1 1 5 5 GLN N N 5 116.397 116.397 117.859 -1.462 25791 15066 1 39 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.898 0.043 25791 15067 1 39 . 1 1 5 5 GLN C C 5 178.761 178.761 178.320 0.441 25791 15068 1 39 . 1 1 5 5 GLN CA C 5 59.349 59.349 59.163 0.186 25791 15069 1 39 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.540 -0.590 25791 15070 1 39 . 1 1 5 5 GLN H H 5 8.223 8.223 8.203 0.020 25791 15071 1 39 . 1 1 6 6 GLN N N 6 119.262 119.262 118.766 0.496 25791 15072 1 39 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.101 0.027 25791 15073 1 39 . 1 1 6 6 GLN C C 6 179.018 179.018 178.376 0.642 25791 15074 1 39 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.516 0.573 25791 15075 1 39 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.013 0.697 25791 15076 1 39 . 1 1 6 6 GLN H H 6 7.848 7.848 7.819 0.029 25791 15077 1 39 . 1 1 7 7 ILE N N 7 121.296 121.296 121.414 -0.118 25791 15078 1 39 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.810 -0.227 25791 15079 1 39 . 1 1 7 7 ILE C C 7 177.833 177.833 178.049 -0.216 25791 15080 1 39 . 1 1 7 7 ILE CA C 7 65.129 65.129 63.039 2.090 25791 15081 1 39 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.174 1.032 25791 15082 1 39 . 1 1 7 7 ILE H H 7 8.095 8.095 7.361 0.734 25791 15083 1 39 . 1 1 8 8 MET N N 8 117.603 117.603 118.894 -1.291 25791 15084 1 39 . 1 1 8 8 MET HA H 8 3.985 3.985 4.044 -0.059 25791 15085 1 39 . 1 1 8 8 MET C C 8 177.355 177.355 178.933 -1.578 25791 15086 1 39 . 1 1 8 8 MET CA C 8 59.932 59.932 59.642 0.290 25791 15087 1 39 . 1 1 8 8 MET CB C 8 32.721 32.721 32.080 0.641 25791 15088 1 39 . 1 1 8 8 MET H H 8 8.672 8.672 8.542 0.130 25791 15089 1 39 . 1 1 9 9 ALA N N 9 118.774 118.774 121.663 -2.889 25791 15090 1 39 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.075 -0.029 25791 15091 1 39 . 1 1 9 9 ALA C C 9 180.546 180.546 179.259 1.287 25791 15092 1 39 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.043 0.342 25791 15093 1 39 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.995 -0.097 25791 15094 1 39 . 1 1 9 9 ALA H H 9 7.795 7.795 8.326 -0.531 25791 15095 1 39 . 1 1 10 10 ALA N N 10 120.854 120.854 121.670 -0.816 25791 15096 1 39 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.092 0.113 25791 15097 1 39 . 1 1 10 10 ALA C C 10 181.200 181.200 179.572 1.628 25791 15098 1 39 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.789 0.223 25791 15099 1 39 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.267 0.994 25791 15100 1 39 . 1 1 10 10 ALA H H 10 7.438 7.438 7.716 -0.278 25791 15101 1 39 . 1 1 11 11 LEU N N 11 120.775 120.775 118.644 2.131 25791 15102 1 39 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.746 0.002 25791 15103 1 39 . 1 1 11 11 LEU C C 11 179.041 179.041 179.195 -0.154 25791 15104 1 39 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.739 0.607 25791 15105 1 39 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.274 -1.297 25791 15106 1 39 . 1 1 11 11 LEU H H 11 8.757 8.757 8.608 0.149 25791 15107 1 39 . 1 1 12 12 ASN N N 12 116.313 116.313 117.054 -0.741 25791 15108 1 39 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.446 0.118 25791 15109 1 39 . 1 1 12 12 ASN C C 12 178.900 178.900 177.186 1.714 25791 15110 1 39 . 1 1 12 12 ASN CA C 12 54.065 54.065 56.205 -2.140 25791 15111 1 39 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.425 -1.432 25791 15112 1 39 . 1 1 12 12 ASN H H 12 8.850 8.850 8.076 0.774 25791 15113 1 39 . 1 1 13 13 SER N N 13 114.747 114.747 115.490 -0.743 25791 15114 1 39 . 1 1 13 13 SER HA H 13 4.370 4.370 4.157 0.213 25791 15115 1 39 . 1 1 13 13 SER C C 13 176.515 176.515 177.063 -0.548 25791 15116 1 39 . 1 1 13 13 SER CA C 13 61.141 61.141 61.297 -0.156 25791 15117 1 39 . 1 1 13 13 SER CB C 13 63.044 63.044 63.144 -0.100 25791 15118 1 39 . 1 1 13 13 SER H H 13 7.672 7.672 7.690 -0.018 25791 15119 1 39 . 1 1 14 14 GLN N N 14 119.954 119.954 117.600 2.354 25791 15120 1 39 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.185 0.033 25791 15121 1 39 . 1 1 14 14 GLN C C 14 178.208 178.208 176.631 1.577 25791 15122 1 39 . 1 1 14 14 GLN CA C 14 57.749 57.749 58.013 -0.264 25791 15123 1 39 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.692 0.008 25791 15124 1 39 . 1 1 14 14 GLN H H 14 7.573 7.573 7.815 -0.242 25791 15125 1 39 . 1 1 15 15 THR N N 15 107.493 107.493 107.315 0.178 25791 15126 1 39 . 1 1 15 15 THR HA H 15 3.899 3.899 4.446 -0.547 25791 15127 1 39 . 1 1 15 15 THR C C 15 174.683 174.683 174.314 0.369 25791 15128 1 39 . 1 1 15 15 THR CA C 15 61.551 61.551 60.277 1.274 25791 15129 1 39 . 1 1 15 15 THR CB C 15 69.226 69.226 69.103 0.123 25791 15130 1 39 . 1 1 15 15 THR H H 15 7.741 7.741 7.150 0.591 25791 15131 1 39 . 1 1 16 16 ALA N N 16 124.034 124.034 126.268 -2.234 25791 15132 1 39 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.006 0.129 25791 15133 1 39 . 1 1 16 16 ALA C C 16 179.899 179.899 178.494 1.405 25791 15134 1 39 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.658 0.549 25791 15135 1 39 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.096 0.628 25791 15136 1 39 . 1 1 16 16 ALA H H 16 6.873 6.873 7.189 -0.316 25791 15137 1 39 . 1 1 17 17 VAL N N 17 117.150 117.150 118.027 -0.877 25791 15138 1 39 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.696 0.018 25791 15139 1 39 . 1 1 17 17 VAL C C 17 178.537 178.537 177.318 1.219 25791 15140 1 39 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.235 1.273 25791 15141 1 39 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.590 0.103 25791 15142 1 39 . 1 1 17 17 VAL H H 17 8.162 8.162 8.404 -0.242 25791 15143 1 39 . 1 1 18 18 GLN N N 18 119.489 119.489 119.422 0.067 25791 15144 1 39 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.071 -0.014 25791 15145 1 39 . 1 1 18 18 GLN C C 18 180.429 180.429 178.774 1.655 25791 15146 1 39 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.112 0.587 25791 15147 1 39 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.513 0.673 25791 15148 1 39 . 1 1 18 18 GLN H H 18 8.451 8.451 7.996 0.455 25791 15149 1 39 . 1 1 19 19 PHE N N 19 117.940 117.940 118.834 -0.894 25791 15150 1 39 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.451 0.379 25791 15151 1 39 . 1 1 19 19 PHE C C 19 177.858 177.858 178.397 -0.539 25791 15152 1 39 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.606 -1.577 25791 15153 1 39 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.187 -2.282 25791 15154 1 39 . 1 1 19 19 PHE H H 19 8.924 8.924 8.753 0.171 25791 15155 1 39 . 1 1 20 20 GLN N N 20 120.297 120.297 119.368 0.929 25791 15156 1 39 . 1 1 20 20 GLN HA H 20 4.106 4.106 4.058 0.048 25791 15157 1 39 . 1 1 20 20 GLN C C 20 178.986 178.986 178.643 0.343 25791 15158 1 39 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.560 0.003 25791 15159 1 39 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.587 -0.692 25791 15160 1 39 . 1 1 20 20 GLN H H 20 8.264 8.264 8.134 0.130 25791 15161 1 39 . 1 1 21 21 GLN N N 21 118.595 118.595 119.378 -0.783 25791 15162 1 39 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.068 0.014 25791 15163 1 39 . 1 1 21 21 GLN C C 21 178.806 178.806 178.645 0.161 25791 15164 1 39 . 1 1 21 21 GLN CA C 21 59.170 59.170 59.013 0.157 25791 15165 1 39 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.895 -0.699 25791 15166 1 39 . 1 1 21 21 GLN H H 21 8.527 8.527 8.287 0.240 25791 15167 1 39 . 1 1 22 22 TYR N N 22 119.594 119.594 120.907 -1.313 25791 15168 1 39 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.158 0.089 25791 15169 1 39 . 1 1 22 22 TYR C C 22 177.789 177.789 177.114 0.675 25791 15170 1 39 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.615 1.097 25791 15171 1 39 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.349 0.374 25791 15172 1 39 . 1 1 22 22 TYR H H 22 7.843 7.843 8.161 -0.318 25791 15173 1 39 . 1 1 23 23 ALA N N 23 120.663 120.663 121.417 -0.754 25791 15174 1 39 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.796 0.061 25791 15175 1 39 . 1 1 23 23 ALA C C 23 179.319 179.319 178.805 0.514 25791 15176 1 39 . 1 1 23 23 ALA CA C 23 55.589 55.589 55.034 0.555 25791 15177 1 39 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.193 0.289 25791 15178 1 39 . 1 1 23 23 ALA H H 23 8.612 8.612 8.477 0.135 25791 15179 1 39 . 1 1 24 24 ALA N N 24 119.002 119.002 120.261 -1.259 25791 15180 1 39 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.118 -0.180 25791 15181 1 39 . 1 1 24 24 ALA C C 24 178.987 178.987 179.166 -0.179 25791 15182 1 39 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.134 0.183 25791 15183 1 39 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.467 -0.576 25791 15184 1 39 . 1 1 24 24 ALA H H 24 8.168 8.168 8.070 0.098 25791 15185 1 39 . 1 1 25 25 GLN N N 25 115.599 115.599 116.918 -1.319 25791 15186 1 39 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.055 -0.051 25791 15187 1 39 . 1 1 25 25 GLN C C 25 177.818 177.818 178.298 -0.480 25791 15188 1 39 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.095 -0.641 25791 15189 1 39 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.974 -0.519 25791 15190 1 39 . 1 1 25 25 GLN H H 25 7.300 7.300 7.602 -0.302 25791 15191 1 39 . 1 1 26 26 GLN N N 26 116.989 116.989 116.592 0.397 25791 15192 1 39 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.872 -0.168 25791 15193 1 39 . 1 1 26 26 GLN C C 26 175.979 175.979 175.982 -0.003 25791 15194 1 39 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.847 -0.060 25791 15195 1 39 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.512 -0.432 25791 15196 1 39 . 1 1 26 26 GLN H H 26 7.401 7.401 7.438 -0.037 25791 15197 1 39 . 1 1 27 27 TYR N N 27 114.712 114.712 118.050 -3.338 25791 15198 1 39 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.872 0.206 25791 15199 1 39 . 1 1 27 27 TYR C C 27 172.931 172.931 173.660 -0.729 25791 15200 1 39 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.705 0.462 25791 15201 1 39 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.453 1.207 25791 15202 1 39 . 1 1 27 27 TYR H H 27 7.675 7.675 8.157 -0.482 25791 15203 1 39 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.380 -0.018 25791 15204 1 39 . 1 1 28 28 PRO C C 28 179.333 179.333 178.164 1.169 25791 15205 1 39 . 1 1 28 28 PRO CA C 28 64.394 64.394 63.737 0.657 25791 15206 1 39 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.311 -1.057 25791 15207 1 39 . 1 1 29 29 GLY N N 29 110.091 110.091 112.790 -2.699 25791 15208 1 39 . 1 1 29 29 GLY C C 29 173.218 173.218 174.529 -1.311 25791 15209 1 39 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.859 0.053 25791 15210 1 39 . 1 1 29 29 GLY H H 29 8.826 8.826 8.799 0.027 25791 15211 1 39 . 1 1 30 30 ASN N N 30 118.603 118.603 122.200 -3.597 25791 15212 1 39 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.913 0.086 25791 15213 1 39 . 1 1 30 30 ASN C C 30 173.977 173.977 175.658 -1.681 25791 15214 1 39 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.593 -0.408 25791 15215 1 39 . 1 1 30 30 ASN CB C 30 38.426 38.426 37.031 1.395 25791 15216 1 39 . 1 1 30 30 ASN H H 30 7.293 7.293 7.562 -0.269 25791 15217 1 39 . 1 1 31 31 TYR N N 31 125.240 125.240 122.126 3.114 25791 15218 1 39 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.188 -0.290 25791 15219 1 39 . 1 1 31 31 TYR C C 31 177.343 177.343 176.724 0.619 25791 15220 1 39 . 1 1 31 31 TYR CA C 31 61.811 61.811 61.312 0.499 25791 15221 1 39 . 1 1 31 31 TYR CB C 31 38.357 38.357 37.413 0.944 25791 15222 1 39 . 1 1 31 31 TYR H H 31 8.509 8.509 7.905 0.604 25791 15223 1 39 . 1 1 32 32 GLU N N 32 118.993 118.993 119.104 -0.111 25791 15224 1 39 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.796 0.104 25791 15225 1 39 . 1 1 32 32 GLU C C 32 179.549 179.549 178.882 0.667 25791 15226 1 39 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.037 1.075 25791 15227 1 39 . 1 1 32 32 GLU CB C 32 29.168 29.168 27.790 1.378 25791 15228 1 39 . 1 1 32 32 GLU H H 32 8.714 8.714 7.663 1.051 25791 15229 1 39 . 1 1 33 33 GLN N N 33 117.037 117.037 118.799 -1.762 25791 15230 1 39 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.818 -0.085 25791 15231 1 39 . 1 1 33 33 GLN C C 33 179.119 179.119 178.633 0.486 25791 15232 1 39 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.137 -0.435 25791 15233 1 39 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.438 0.188 25791 15234 1 39 . 1 1 33 33 GLN H H 33 7.536 7.536 7.649 -0.113 25791 15235 1 39 . 1 1 34 34 GLN N N 34 117.723 117.723 119.836 -2.113 25791 15236 1 39 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.056 -0.245 25791 15237 1 39 . 1 1 34 34 GLN C C 34 177.634 177.634 178.628 -0.994 25791 15238 1 39 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.471 0.694 25791 15239 1 39 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.610 -1.109 25791 15240 1 39 . 1 1 34 34 GLN H H 34 7.968 7.968 8.399 -0.431 25791 15241 1 39 . 1 1 35 35 GLN N N 35 115.293 115.293 118.795 -3.502 25791 15242 1 39 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.140 -0.349 25791 15243 1 39 . 1 1 35 35 GLN C C 35 178.757 178.757 178.694 0.063 25791 15244 1 39 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.417 0.193 25791 15245 1 39 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.448 -0.243 25791 15246 1 39 . 1 1 35 35 GLN H H 35 7.870 7.870 8.027 -0.158 25791 15247 1 39 . 1 1 36 36 ILE N N 36 120.769 120.769 120.622 0.147 25791 15248 1 39 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.686 -0.122 25791 15249 1 39 . 1 1 36 36 ILE C C 36 178.273 178.273 178.232 0.041 25791 15250 1 39 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.212 0.024 25791 15251 1 39 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.654 0.719 25791 15252 1 39 . 1 1 36 36 ILE H H 36 7.503 7.503 8.133 -0.629 25791 15253 1 39 . 1 1 37 37 LEU N N 37 121.056 121.056 121.436 -0.380 25791 15254 1 39 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.089 0.220 25791 15255 1 39 . 1 1 37 37 LEU C C 37 178.348 178.348 178.185 0.163 25791 15256 1 39 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.823 -0.089 25791 15257 1 39 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.908 -0.392 25791 15258 1 39 . 1 1 37 37 LEU H H 37 7.678 7.678 7.744 -0.066 25791 15259 1 39 . 1 1 38 38 ILE N N 38 119.334 119.334 119.501 -0.167 25791 15260 1 39 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.513 -0.172 25791 15261 1 39 . 1 1 38 38 ILE C C 38 177.371 177.371 177.719 -0.348 25791 15262 1 39 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.634 1.451 25791 15263 1 39 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.792 0.557 25791 15264 1 39 . 1 1 38 38 ILE H H 38 8.702 8.702 8.257 0.445 25791 15265 1 39 . 1 1 39 39 ARG N N 39 117.798 117.798 119.726 -1.928 25791 15266 1 39 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.300 -0.085 25791 15267 1 39 . 1 1 39 39 ARG C C 39 179.555 179.555 178.497 1.058 25791 15268 1 39 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.121 0.338 25791 15269 1 39 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.548 0.204 25791 15270 1 39 . 1 1 39 39 ARG H H 39 7.739 7.739 8.523 -0.784 25791 15271 1 39 . 1 1 40 40 GLN N N 40 119.432 119.432 119.747 -0.315 25791 15272 1 39 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.090 0.047 25791 15273 1 39 . 1 1 40 40 GLN C C 40 179.522 179.522 178.694 0.828 25791 15274 1 39 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.706 0.553 25791 15275 1 39 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.612 -0.254 25791 15276 1 39 . 1 1 40 40 GLN H H 40 7.811 7.811 7.593 0.218 25791 15277 1 39 . 1 1 41 41 LEU N N 41 121.592 121.592 120.366 1.226 25791 15278 1 39 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.852 -0.165 25791 15279 1 39 . 1 1 41 41 LEU C C 41 178.974 178.974 178.946 0.028 25791 15280 1 39 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.431 0.532 25791 15281 1 39 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.839 -0.987 25791 15282 1 39 . 1 1 41 41 LEU H H 41 8.648 8.648 7.972 0.676 25791 15283 1 39 . 1 1 42 42 GLN N N 42 119.054 119.054 119.145 -0.091 25791 15284 1 39 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.298 0.246 25791 15285 1 39 . 1 1 42 42 GLN C C 42 180.176 180.176 178.703 1.473 25791 15286 1 39 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.699 -0.465 25791 15287 1 39 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.721 -0.801 25791 15288 1 39 . 1 1 42 42 GLN H H 42 8.641 8.641 8.597 0.044 25791 15289 1 39 . 1 1 43 43 GLU N N 43 121.517 121.517 121.021 0.496 25791 15290 1 39 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.035 0.201 25791 15291 1 39 . 1 1 43 43 GLU C C 43 179.721 179.721 179.036 0.685 25791 15292 1 39 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.665 0.002 25791 15293 1 39 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.525 -0.267 25791 15294 1 39 . 1 1 43 43 GLU H H 43 8.111 8.111 7.946 0.165 25791 15295 1 39 . 1 1 44 44 GLN N N 44 119.240 119.240 118.171 1.069 25791 15296 1 39 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.053 0.063 25791 15297 1 39 . 1 1 44 44 GLN C C 44 179.012 179.012 178.422 0.590 25791 15298 1 39 . 1 1 44 44 GLN CA C 44 59.149 59.149 59.075 0.074 25791 15299 1 39 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.778 0.076 25791 15300 1 39 . 1 1 44 44 GLN H H 44 8.372 8.372 8.250 0.122 25791 15301 1 39 . 1 1 45 45 HIS N N 45 121.705 121.705 120.918 0.787 25791 15302 1 39 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.294 -0.014 25791 15303 1 39 . 1 1 45 45 HIS C C 45 176.395 176.395 177.342 -0.947 25791 15304 1 39 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.146 1.213 25791 15305 1 39 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.590 1.735 25791 15306 1 39 . 1 1 45 45 HIS H H 45 9.472 9.472 8.496 0.976 25791 15307 1 39 . 1 1 46 46 TYR N N 46 119.039 119.039 120.662 -1.623 25791 15308 1 39 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.040 -0.191 25791 15309 1 39 . 1 1 46 46 TYR C C 46 176.664 176.664 178.057 -1.393 25791 15310 1 39 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.930 0.321 25791 15311 1 39 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.532 -0.860 25791 15312 1 39 . 1 1 46 46 TYR H H 46 8.253 8.253 8.571 -0.318 25791 15313 1 39 . 1 1 47 47 GLN N N 47 116.407 116.407 117.193 -0.786 25791 15314 1 39 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.919 -0.135 25791 15315 1 39 . 1 1 47 47 GLN C C 47 179.048 179.048 178.569 0.479 25791 15316 1 39 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.546 -0.597 25791 15317 1 39 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.151 0.030 25791 15318 1 39 . 1 1 47 47 GLN H H 47 7.814 7.814 8.694 -0.880 25791 15319 1 39 . 1 1 48 48 GLN N N 48 119.803 119.803 119.794 0.009 25791 15320 1 39 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.077 -0.100 25791 15321 1 39 . 1 1 48 48 GLN C C 48 177.741 177.741 178.228 -0.487 25791 15322 1 39 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.344 -0.030 25791 15323 1 39 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.274 0.054 25791 15324 1 39 . 1 1 48 48 GLN H H 48 8.645 8.645 8.521 0.124 25791 15325 1 39 . 1 1 49 49 TYR N N 49 121.342 121.342 121.642 -0.300 25791 15326 1 39 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.118 -0.478 25791 15327 1 39 . 1 1 49 49 TYR C C 49 176.021 176.021 177.407 -1.386 25791 15328 1 39 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.711 0.398 25791 15329 1 39 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.092 0.815 25791 15330 1 39 . 1 1 49 49 TYR H H 49 9.105 9.105 8.605 0.500 25791 15331 1 39 . 1 1 50 50 MET N N 50 115.522 115.522 118.242 -2.720 25791 15332 1 39 . 1 1 50 50 MET HA H 50 4.040 4.040 3.715 0.325 25791 15333 1 39 . 1 1 50 50 MET C C 50 179.841 179.841 178.195 1.646 25791 15334 1 39 . 1 1 50 50 MET CA C 50 56.623 56.623 56.756 -0.133 25791 15335 1 39 . 1 1 50 50 MET CB C 50 30.099 30.099 31.715 -1.616 25791 15336 1 39 . 1 1 50 50 MET H H 50 8.060 8.060 8.250 -0.190 25791 15337 1 39 . 1 1 51 51 GLN N N 51 118.942 118.942 119.035 -0.093 25791 15338 1 39 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.912 0.153 25791 15339 1 39 . 1 1 51 51 GLN C C 51 178.707 178.707 178.403 0.304 25791 15340 1 39 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.172 -0.231 25791 15341 1 39 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.352 0.137 25791 15342 1 39 . 1 1 51 51 GLN H H 51 7.830 7.830 8.203 -0.373 25791 15343 1 39 . 1 1 52 52 GLN N N 52 119.210 119.210 119.549 -0.339 25791 15344 1 39 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.065 -0.008 25791 15345 1 39 . 1 1 52 52 GLN C C 52 178.738 178.738 178.313 0.425 25791 15346 1 39 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.358 0.391 25791 15347 1 39 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.881 -0.478 25791 15348 1 39 . 1 1 52 52 GLN H H 52 8.187 8.187 8.044 0.143 25791 15349 1 39 . 1 1 53 53 LEU N N 53 121.233 121.233 121.625 -0.392 25791 15350 1 39 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.811 0.030 25791 15351 1 39 . 1 1 53 53 LEU C C 53 179.191 179.191 178.015 1.176 25791 15352 1 39 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.749 -0.004 25791 15353 1 39 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.181 0.685 25791 15354 1 39 . 1 1 53 53 LEU H H 53 8.441 8.441 8.181 0.260 25791 15355 1 39 . 1 1 54 54 TYR N N 54 118.505 118.505 119.240 -0.735 25791 15356 1 39 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.932 0.386 25791 15357 1 39 . 1 1 54 54 TYR C C 54 177.535 177.535 177.563 -0.028 25791 15358 1 39 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.528 -2.050 25791 15359 1 39 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.517 -0.731 25791 15360 1 39 . 1 1 54 54 TYR H H 54 7.819 7.819 8.520 -0.701 25791 15361 1 39 . 1 1 55 55 GLN N N 55 117.299 117.299 117.548 -0.249 25791 15362 1 39 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.075 -0.176 25791 15363 1 39 . 1 1 55 55 GLN C C 55 179.041 179.041 178.216 0.825 25791 15364 1 39 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.902 -0.193 25791 15365 1 39 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.585 -0.370 25791 15366 1 39 . 1 1 55 55 GLN H H 55 7.735 7.735 7.703 0.032 25791 15367 1 39 . 1 1 56 56 VAL N N 56 120.879 120.879 120.487 0.392 25791 15368 1 39 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.625 0.167 25791 15369 1 39 . 1 1 56 56 VAL C C 56 178.262 178.262 177.840 0.422 25791 15370 1 39 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.482 -0.540 25791 15371 1 39 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.516 0.363 25791 15372 1 39 . 1 1 56 56 VAL H H 56 8.014 8.014 7.937 0.077 25791 15373 1 39 . 1 1 57 57 GLN N N 57 120.513 120.513 120.158 0.355 25791 15374 1 39 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.967 0.093 25791 15375 1 39 . 1 1 57 57 GLN C C 57 178.772 178.772 178.302 0.470 25791 15376 1 39 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.409 0.207 25791 15377 1 39 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.721 0.264 25791 15378 1 39 . 1 1 57 57 GLN H H 57 8.103 8.103 8.398 -0.295 25791 15379 1 39 . 1 1 58 58 LEU N N 58 121.244 121.244 121.193 0.051 25791 15380 1 39 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.984 0.021 25791 15381 1 39 . 1 1 58 58 LEU C C 58 179.134 179.134 178.251 0.883 25791 15382 1 39 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.106 0.400 25791 15383 1 39 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.243 0.560 25791 15384 1 39 . 1 1 58 58 LEU H H 58 8.176 8.176 7.775 0.401 25791 15385 1 39 . 1 1 59 59 ALA N N 59 121.608 121.608 121.436 0.172 25791 15386 1 39 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.925 0.240 25791 15387 1 39 . 1 1 59 59 ALA C C 59 180.497 180.497 179.847 0.650 25791 15388 1 39 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.246 -0.664 25791 15389 1 39 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.144 -0.091 25791 15390 1 39 . 1 1 59 59 ALA H H 59 7.833 7.833 8.021 -0.188 25791 15391 1 39 . 1 1 60 60 GLN N N 60 118.335 118.335 117.787 0.548 25791 15392 1 39 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.910 0.238 25791 15393 1 39 . 1 1 60 60 GLN C C 60 178.334 178.334 178.440 -0.106 25791 15394 1 39 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.812 -0.835 25791 15395 1 39 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.650 -0.215 25791 15396 1 39 . 1 1 60 60 GLN H H 60 8.081 8.081 7.843 0.238 25791 15397 1 39 . 1 1 61 61 GLN N N 61 120.206 120.206 119.850 0.356 25791 15398 1 39 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.954 0.208 25791 15399 1 39 . 1 1 61 61 GLN C C 61 178.002 178.002 178.502 -0.500 25791 15400 1 39 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.963 -1.058 25791 15401 1 39 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.537 0.042 25791 15402 1 39 . 1 1 61 61 GLN H H 61 8.111 8.111 8.169 -0.058 25791 15403 1 39 . 1 1 62 62 GLN N N 62 118.980 118.980 118.408 0.572 25791 15404 1 39 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.077 0.052 25791 15405 1 39 . 1 1 62 62 GLN C C 62 177.624 177.624 178.291 -0.667 25791 15406 1 39 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.551 -0.915 25791 15407 1 39 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.530 0.105 25791 15408 1 39 . 1 1 62 62 GLN H H 62 8.203 8.203 8.433 -0.230 25791 15409 1 39 . 1 1 63 63 ALA N N 63 122.712 122.712 121.644 1.068 25791 15410 1 39 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.145 0.061 25791 15411 1 39 . 1 1 63 63 ALA C C 63 178.922 178.922 178.790 0.132 25791 15412 1 39 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.362 -0.466 25791 15413 1 39 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.198 0.261 25791 15414 1 39 . 1 1 63 63 ALA H H 63 8.004 8.004 8.024 -0.020 25791 15415 1 39 . 1 1 64 64 ALA N N 64 120.813 120.813 121.018 -0.205 25791 15416 1 39 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.152 0.080 25791 15417 1 39 . 1 1 64 64 ALA C C 64 178.732 178.732 178.919 -0.187 25791 15418 1 39 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.098 -0.582 25791 15419 1 39 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.193 -0.563 25791 15420 1 39 . 1 1 64 64 ALA H H 64 7.837 7.837 7.618 0.219 25791 15421 1 39 . 1 1 65 65 LEU N N 65 119.196 119.196 118.161 1.035 25791 15422 1 39 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.238 0.019 25791 15423 1 39 . 1 1 65 65 LEU C C 65 178.038 178.038 177.867 0.171 25791 15424 1 39 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.099 -0.277 25791 15425 1 39 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.173 0.091 25791 15426 1 39 . 1 1 65 65 LEU H H 65 7.765 7.765 7.746 0.019 25791 15427 1 39 . 1 1 66 66 GLN N N 66 119.365 119.365 114.345 5.020 25791 15428 1 39 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.946 0.329 25791 15429 1 39 . 1 1 66 66 GLN C C 66 176.120 176.120 176.037 0.083 25791 15430 1 39 . 1 1 66 66 GLN CA C 66 56.067 56.067 56.934 -0.867 25791 15431 1 39 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.349 2.783 25791 15432 1 39 . 1 1 66 66 GLN H H 66 7.967 7.967 8.180 -0.213 25791 15433 1 39 . 1 1 67 67 LYS N N 67 121.521 121.521 119.035 2.486 25791 15434 1 39 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.280 0.029 25791 15435 1 39 . 1 1 67 67 LYS C C 67 176.437 176.437 176.025 0.412 25791 15436 1 39 . 1 1 67 67 LYS CA C 67 56.389 56.389 55.708 0.681 25791 15437 1 39 . 1 1 67 67 LYS CB C 67 33.041 33.041 32.790 0.251 25791 15438 1 39 . 1 1 67 67 LYS H H 67 8.053 8.053 8.050 0.003 25791 15439 1 39 . 1 1 68 68 GLN N N 68 121.970 121.970 118.175 3.795 25791 15440 1 39 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.004 0.335 25791 15441 1 39 . 1 1 68 68 GLN C C 68 175.120 175.120 175.451 -0.331 25791 15442 1 39 . 1 1 68 68 GLN CA C 68 56.000 56.000 56.472 -0.472 25791 15443 1 39 . 1 1 68 68 GLN CB C 68 29.498 29.498 26.867 2.631 25791 15444 1 39 . 1 1 68 68 GLN H H 68 8.314 8.314 8.351 -0.037 25791 15445 1 40 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.132 0.315 25791 15446 1 40 . 1 1 2 2 GLN C C 2 176.144 176.144 176.529 -0.385 25791 15447 1 40 . 1 1 2 2 GLN CA C 2 56.209 56.209 56.469 -0.260 25791 15448 1 40 . 1 1 2 2 GLN CB C 2 29.459 29.459 26.876 2.583 25791 15449 1 40 . 1 1 3 3 GLN N N 3 122.052 122.052 116.421 5.631 25791 15450 1 40 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.004 0.319 25791 15451 1 40 . 1 1 3 3 GLN C C 3 176.988 176.988 177.246 -0.258 25791 15452 1 40 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.177 -0.774 25791 15453 1 40 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.355 0.884 25791 15454 1 40 . 1 1 3 3 GLN H H 3 8.780 8.780 8.445 0.335 25791 15455 1 40 . 1 1 4 4 LYS N N 4 121.855 121.855 120.218 1.637 25791 15456 1 40 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.111 -0.107 25791 15457 1 40 . 1 1 4 4 LYS C C 4 177.638 177.638 178.323 -0.685 25791 15458 1 40 . 1 1 4 4 LYS CA C 4 60.239 60.239 58.863 1.376 25791 15459 1 40 . 1 1 4 4 LYS CB C 4 32.699 32.699 31.837 0.862 25791 15460 1 40 . 1 1 4 4 LYS H H 4 8.528 8.528 8.087 0.441 25791 15461 1 40 . 1 1 5 5 GLN N N 5 116.397 116.397 118.167 -1.770 25791 15462 1 40 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.972 -0.031 25791 15463 1 40 . 1 1 5 5 GLN C C 5 178.761 178.761 178.287 0.474 25791 15464 1 40 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.955 0.395 25791 15465 1 40 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.146 -0.196 25791 15466 1 40 . 1 1 5 5 GLN H H 5 8.223 8.223 8.189 0.034 25791 15467 1 40 . 1 1 6 6 GLN N N 6 119.262 119.262 118.661 0.601 25791 15468 1 40 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.131 -0.003 25791 15469 1 40 . 1 1 6 6 GLN C C 6 179.018 179.018 178.282 0.736 25791 15470 1 40 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.467 0.622 25791 15471 1 40 . 1 1 6 6 GLN CB C 6 28.710 28.710 27.844 0.866 25791 15472 1 40 . 1 1 6 6 GLN H H 6 7.848 7.848 8.094 -0.246 25791 15473 1 40 . 1 1 7 7 ILE N N 7 121.296 121.296 121.490 -0.194 25791 15474 1 40 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.837 -0.254 25791 15475 1 40 . 1 1 7 7 ILE C C 7 177.833 177.833 178.244 -0.411 25791 15476 1 40 . 1 1 7 7 ILE CA C 7 65.129 65.129 63.370 1.759 25791 15477 1 40 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.135 1.071 25791 15478 1 40 . 1 1 7 7 ILE H H 7 8.095 8.095 7.448 0.647 25791 15479 1 40 . 1 1 8 8 MET N N 8 117.603 117.603 118.774 -1.171 25791 15480 1 40 . 1 1 8 8 MET HA H 8 3.985 3.985 4.112 -0.127 25791 15481 1 40 . 1 1 8 8 MET C C 8 177.355 177.355 178.920 -1.565 25791 15482 1 40 . 1 1 8 8 MET CA C 8 59.932 59.932 59.556 0.376 25791 15483 1 40 . 1 1 8 8 MET CB C 8 32.721 32.721 32.103 0.618 25791 15484 1 40 . 1 1 8 8 MET H H 8 8.672 8.672 8.077 0.595 25791 15485 1 40 . 1 1 9 9 ALA N N 9 118.774 118.774 121.763 -2.989 25791 15486 1 40 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.078 -0.032 25791 15487 1 40 . 1 1 9 9 ALA C C 9 180.546 180.546 179.243 1.303 25791 15488 1 40 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.126 0.259 25791 15489 1 40 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.958 -0.060 25791 15490 1 40 . 1 1 9 9 ALA H H 9 7.795 7.795 8.357 -0.562 25791 15491 1 40 . 1 1 10 10 ALA N N 10 120.854 120.854 122.002 -1.148 25791 15492 1 40 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.135 0.070 25791 15493 1 40 . 1 1 10 10 ALA C C 10 181.200 181.200 179.359 1.841 25791 15494 1 40 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.554 0.458 25791 15495 1 40 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.535 0.726 25791 15496 1 40 . 1 1 10 10 ALA H H 10 7.438 7.438 7.693 -0.255 25791 15497 1 40 . 1 1 11 11 LEU N N 11 120.775 120.775 118.620 2.155 25791 15498 1 40 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.791 -0.043 25791 15499 1 40 . 1 1 11 11 LEU C C 11 179.041 179.041 179.154 -0.113 25791 15500 1 40 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.807 0.539 25791 15501 1 40 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.269 -1.292 25791 15502 1 40 . 1 1 11 11 LEU H H 11 8.757 8.757 8.643 0.114 25791 15503 1 40 . 1 1 12 12 ASN N N 12 116.313 116.313 117.614 -1.301 25791 15504 1 40 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.519 0.045 25791 15505 1 40 . 1 1 12 12 ASN C C 12 178.900 178.900 177.711 1.189 25791 15506 1 40 . 1 1 12 12 ASN CA C 12 54.065 54.065 56.366 -2.301 25791 15507 1 40 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.583 -1.590 25791 15508 1 40 . 1 1 12 12 ASN H H 12 8.850 8.850 8.186 0.664 25791 15509 1 40 . 1 1 13 13 SER N N 13 114.747 114.747 115.723 -0.976 25791 15510 1 40 . 1 1 13 13 SER HA H 13 4.370 4.370 4.177 0.193 25791 15511 1 40 . 1 1 13 13 SER C C 13 176.515 176.515 176.767 -0.252 25791 15512 1 40 . 1 1 13 13 SER CA C 13 61.141 61.141 61.753 -0.612 25791 15513 1 40 . 1 1 13 13 SER CB C 13 63.044 63.044 63.120 -0.076 25791 15514 1 40 . 1 1 13 13 SER H H 13 7.672 7.672 7.962 -0.290 25791 15515 1 40 . 1 1 14 14 GLN N N 14 119.954 119.954 118.676 1.278 25791 15516 1 40 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.203 0.015 25791 15517 1 40 . 1 1 14 14 GLN C C 14 178.208 178.208 177.243 0.965 25791 15518 1 40 . 1 1 14 14 GLN CA C 14 57.749 57.749 58.303 -0.554 25791 15519 1 40 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.756 -0.056 25791 15520 1 40 . 1 1 14 14 GLN H H 14 7.573 7.573 7.881 -0.308 25791 15521 1 40 . 1 1 15 15 THR N N 15 107.493 107.493 107.999 -0.506 25791 15522 1 40 . 1 1 15 15 THR HA H 15 3.899 3.899 4.521 -0.622 25791 15523 1 40 . 1 1 15 15 THR C C 15 174.683 174.683 174.733 -0.050 25791 15524 1 40 . 1 1 15 15 THR CA C 15 61.551 61.551 60.324 1.227 25791 15525 1 40 . 1 1 15 15 THR CB C 15 69.226 69.226 69.318 -0.092 25791 15526 1 40 . 1 1 15 15 THR H H 15 7.741 7.741 7.566 0.175 25791 15527 1 40 . 1 1 16 16 ALA N N 16 124.034 124.034 126.524 -2.490 25791 15528 1 40 . 1 1 16 16 ALA HA H 16 4.135 4.135 3.995 0.140 25791 15529 1 40 . 1 1 16 16 ALA C C 16 179.899 179.899 178.551 1.348 25791 15530 1 40 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.810 0.397 25791 15531 1 40 . 1 1 16 16 ALA CB C 16 18.724 18.724 17.712 1.012 25791 15532 1 40 . 1 1 16 16 ALA H H 16 6.873 6.873 7.586 -0.713 25791 15533 1 40 . 1 1 17 17 VAL N N 17 117.150 117.150 117.861 -0.711 25791 15534 1 40 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.786 -0.072 25791 15535 1 40 . 1 1 17 17 VAL C C 17 178.537 178.537 177.528 1.009 25791 15536 1 40 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.176 1.332 25791 15537 1 40 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.311 0.382 25791 15538 1 40 . 1 1 17 17 VAL H H 17 8.162 8.162 8.432 -0.270 25791 15539 1 40 . 1 1 18 18 GLN N N 18 119.489 119.489 119.395 0.094 25791 15540 1 40 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.058 -0.001 25791 15541 1 40 . 1 1 18 18 GLN C C 18 180.429 180.429 179.039 1.390 25791 15542 1 40 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.272 0.427 25791 15543 1 40 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.478 0.708 25791 15544 1 40 . 1 1 18 18 GLN H H 18 8.451 8.451 8.076 0.375 25791 15545 1 40 . 1 1 19 19 PHE N N 19 117.940 117.940 118.931 -0.991 25791 15546 1 40 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.524 0.306 25791 15547 1 40 . 1 1 19 19 PHE C C 19 177.858 177.858 178.166 -0.308 25791 15548 1 40 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.266 -1.236 25791 15549 1 40 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.301 -2.396 25791 15550 1 40 . 1 1 19 19 PHE H H 19 8.924 8.924 8.745 0.179 25791 15551 1 40 . 1 1 20 20 GLN N N 20 120.297 120.297 119.665 0.632 25791 15552 1 40 . 1 1 20 20 GLN HA H 20 4.106 4.106 4.058 0.048 25791 15553 1 40 . 1 1 20 20 GLN C C 20 178.986 178.986 178.734 0.252 25791 15554 1 40 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.594 -0.031 25791 15555 1 40 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.582 -0.687 25791 15556 1 40 . 1 1 20 20 GLN H H 20 8.264 8.264 8.043 0.221 25791 15557 1 40 . 1 1 21 21 GLN N N 21 118.595 118.595 118.666 -0.071 25791 15558 1 40 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.108 -0.026 25791 15559 1 40 . 1 1 21 21 GLN C C 21 178.806 178.806 178.550 0.256 25791 15560 1 40 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.632 0.538 25791 15561 1 40 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.484 -0.288 25791 15562 1 40 . 1 1 21 21 GLN H H 21 8.527 8.527 8.493 0.034 25791 15563 1 40 . 1 1 22 22 TYR N N 22 119.594 119.594 121.664 -2.070 25791 15564 1 40 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.326 -0.079 25791 15565 1 40 . 1 1 22 22 TYR C C 22 177.789 177.789 177.224 0.565 25791 15566 1 40 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.313 1.399 25791 15567 1 40 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.407 0.317 25791 15568 1 40 . 1 1 22 22 TYR H H 22 7.843 7.843 7.939 -0.096 25791 15569 1 40 . 1 1 23 23 ALA N N 23 120.663 120.663 121.828 -1.165 25791 15570 1 40 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.811 0.046 25791 15571 1 40 . 1 1 23 23 ALA C C 23 179.319 179.319 178.706 0.613 25791 15572 1 40 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.966 0.623 25791 15573 1 40 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.168 0.314 25791 15574 1 40 . 1 1 23 23 ALA H H 23 8.612 8.612 8.668 -0.056 25791 15575 1 40 . 1 1 24 24 ALA N N 24 119.002 119.002 120.552 -1.550 25791 15576 1 40 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.140 -0.202 25791 15577 1 40 . 1 1 24 24 ALA C C 24 178.987 178.987 179.016 -0.029 25791 15578 1 40 . 1 1 24 24 ALA CA C 24 54.317 54.317 53.935 0.382 25791 15579 1 40 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.421 -0.530 25791 15580 1 40 . 1 1 24 24 ALA H H 24 8.168 8.168 8.044 0.124 25791 15581 1 40 . 1 1 25 25 GLN N N 25 115.599 115.599 117.245 -1.646 25791 15582 1 40 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.007 -0.003 25791 15583 1 40 . 1 1 25 25 GLN C C 25 177.818 177.818 178.412 -0.594 25791 15584 1 40 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.192 -0.738 25791 15585 1 40 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.932 -0.477 25791 15586 1 40 . 1 1 25 25 GLN H H 25 7.300 7.300 7.716 -0.416 25791 15587 1 40 . 1 1 26 26 GLN N N 26 116.989 116.989 116.129 0.860 25791 15588 1 40 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.838 -0.134 25791 15589 1 40 . 1 1 26 26 GLN C C 26 175.979 175.979 175.874 0.105 25791 15590 1 40 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.827 -0.039 25791 15591 1 40 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.393 -0.313 25791 15592 1 40 . 1 1 26 26 GLN H H 26 7.401 7.401 7.602 -0.201 25791 15593 1 40 . 1 1 27 27 TYR N N 27 114.712 114.712 117.914 -3.202 25791 15594 1 40 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.860 0.218 25791 15595 1 40 . 1 1 27 27 TYR C C 27 172.931 172.931 173.650 -0.719 25791 15596 1 40 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.645 0.522 25791 15597 1 40 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.417 1.243 25791 15598 1 40 . 1 1 27 27 TYR H H 27 7.675 7.675 8.079 -0.404 25791 15599 1 40 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.337 0.025 25791 15600 1 40 . 1 1 28 28 PRO C C 28 179.333 179.333 178.324 1.009 25791 15601 1 40 . 1 1 28 28 PRO CA C 28 64.394 64.394 63.773 0.620 25791 15602 1 40 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.314 -1.060 25791 15603 1 40 . 1 1 29 29 GLY N N 29 110.091 110.091 112.719 -2.628 25791 15604 1 40 . 1 1 29 29 GLY C C 29 173.218 173.218 174.442 -1.224 25791 15605 1 40 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.898 0.014 25791 15606 1 40 . 1 1 29 29 GLY H H 29 8.826 8.826 8.813 0.013 25791 15607 1 40 . 1 1 30 30 ASN N N 30 118.603 118.603 122.469 -3.866 25791 15608 1 40 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.850 0.149 25791 15609 1 40 . 1 1 30 30 ASN C C 30 173.977 173.977 175.250 -1.273 25791 15610 1 40 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.817 -0.632 25791 15611 1 40 . 1 1 30 30 ASN CB C 30 38.426 38.426 37.396 1.030 25791 15612 1 40 . 1 1 30 30 ASN H H 30 7.293 7.293 7.616 -0.323 25791 15613 1 40 . 1 1 31 31 TYR N N 31 125.240 125.240 122.140 3.100 25791 15614 1 40 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.460 -0.562 25791 15615 1 40 . 1 1 31 31 TYR C C 31 177.343 177.343 176.858 0.485 25791 15616 1 40 . 1 1 31 31 TYR CA C 31 61.811 61.811 60.639 1.172 25791 15617 1 40 . 1 1 31 31 TYR CB C 31 38.357 38.357 37.647 0.710 25791 15618 1 40 . 1 1 31 31 TYR H H 31 8.509 8.509 7.922 0.587 25791 15619 1 40 . 1 1 32 32 GLU N N 32 118.993 118.993 119.122 -0.129 25791 15620 1 40 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.791 0.109 25791 15621 1 40 . 1 1 32 32 GLU C C 32 179.549 179.549 178.830 0.719 25791 15622 1 40 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.014 1.097 25791 15623 1 40 . 1 1 32 32 GLU CB C 32 29.168 29.168 27.785 1.383 25791 15624 1 40 . 1 1 32 32 GLU H H 32 8.714 8.714 7.681 1.033 25791 15625 1 40 . 1 1 33 33 GLN N N 33 117.037 117.037 118.980 -1.943 25791 15626 1 40 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.864 -0.131 25791 15627 1 40 . 1 1 33 33 GLN C C 33 179.119 179.119 178.625 0.494 25791 15628 1 40 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.020 -0.318 25791 15629 1 40 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.434 0.192 25791 15630 1 40 . 1 1 33 33 GLN H H 33 7.536 7.536 7.667 -0.131 25791 15631 1 40 . 1 1 34 34 GLN N N 34 117.723 117.723 120.009 -2.286 25791 15632 1 40 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.046 -0.235 25791 15633 1 40 . 1 1 34 34 GLN C C 34 177.634 177.634 178.650 -1.016 25791 15634 1 40 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.532 0.633 25791 15635 1 40 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.602 -1.101 25791 15636 1 40 . 1 1 34 34 GLN H H 34 7.968 7.968 8.231 -0.263 25791 15637 1 40 . 1 1 35 35 GLN N N 35 115.293 115.293 118.824 -3.531 25791 15638 1 40 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.165 -0.374 25791 15639 1 40 . 1 1 35 35 GLN C C 35 178.757 178.757 178.703 0.054 25791 15640 1 40 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.381 0.229 25791 15641 1 40 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.544 -0.339 25791 15642 1 40 . 1 1 35 35 GLN H H 35 7.870 7.870 8.131 -0.261 25791 15643 1 40 . 1 1 36 36 ILE N N 36 120.769 120.769 121.012 -0.243 25791 15644 1 40 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.667 -0.103 25791 15645 1 40 . 1 1 36 36 ILE C C 36 178.273 178.273 178.111 0.162 25791 15646 1 40 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.349 -0.113 25791 15647 1 40 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.693 0.680 25791 15648 1 40 . 1 1 36 36 ILE H H 36 7.503 7.503 8.071 -0.568 25791 15649 1 40 . 1 1 37 37 LEU N N 37 121.056 121.056 121.341 -0.285 25791 15650 1 40 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.071 0.238 25791 15651 1 40 . 1 1 37 37 LEU C C 37 178.348 178.348 178.193 0.155 25791 15652 1 40 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.832 -0.098 25791 15653 1 40 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.776 -0.260 25791 15654 1 40 . 1 1 37 37 LEU H H 37 7.678 7.678 8.016 -0.338 25791 15655 1 40 . 1 1 38 38 ILE N N 38 119.334 119.334 120.040 -0.706 25791 15656 1 40 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.516 -0.175 25791 15657 1 40 . 1 1 38 38 ILE C C 38 177.371 177.371 177.925 -0.554 25791 15658 1 40 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.696 1.389 25791 15659 1 40 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.580 0.769 25791 15660 1 40 . 1 1 38 38 ILE H H 38 8.702 8.702 8.203 0.499 25791 15661 1 40 . 1 1 39 39 ARG N N 39 117.798 117.798 119.625 -1.827 25791 15662 1 40 . 1 1 39 39 ARG HA H 39 4.215 4.215 3.947 0.268 25791 15663 1 40 . 1 1 39 39 ARG C C 39 179.555 179.555 179.041 0.514 25791 15664 1 40 . 1 1 39 39 ARG CA C 39 59.459 59.459 60.096 -0.637 25791 15665 1 40 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.799 -0.047 25791 15666 1 40 . 1 1 39 39 ARG H H 39 7.739 7.739 8.397 -0.658 25791 15667 1 40 . 1 1 40 40 GLN N N 40 119.432 119.432 118.100 1.332 25791 15668 1 40 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.128 0.009 25791 15669 1 40 . 1 1 40 40 GLN C C 40 179.522 179.522 178.683 0.839 25791 15670 1 40 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.540 0.720 25791 15671 1 40 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.459 -0.101 25791 15672 1 40 . 1 1 40 40 GLN H H 40 7.811 7.811 7.731 0.080 25791 15673 1 40 . 1 1 41 41 LEU N N 41 121.592 121.592 121.420 0.172 25791 15674 1 40 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.877 -0.190 25791 15675 1 40 . 1 1 41 41 LEU C C 41 178.974 178.974 179.289 -0.315 25791 15676 1 40 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.847 0.116 25791 15677 1 40 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.876 -1.024 25791 15678 1 40 . 1 1 41 41 LEU H H 41 8.648 8.648 8.444 0.204 25791 15679 1 40 . 1 1 42 42 GLN N N 42 119.054 119.054 118.714 0.340 25791 15680 1 40 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.479 0.065 25791 15681 1 40 . 1 1 42 42 GLN C C 42 180.176 180.176 179.035 1.141 25791 15682 1 40 . 1 1 42 42 GLN CA C 42 59.234 59.234 58.591 0.643 25791 15683 1 40 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.360 -0.440 25791 15684 1 40 . 1 1 42 42 GLN H H 42 8.641 8.641 8.764 -0.123 25791 15685 1 40 . 1 1 43 43 GLU N N 43 121.517 121.517 122.125 -0.608 25791 15686 1 40 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.068 0.168 25791 15687 1 40 . 1 1 43 43 GLU C C 43 179.721 179.721 178.991 0.730 25791 15688 1 40 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.814 -0.147 25791 15689 1 40 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.448 -0.191 25791 15690 1 40 . 1 1 43 43 GLU H H 43 8.111 8.111 8.268 -0.157 25791 15691 1 40 . 1 1 44 44 GLN N N 44 119.240 119.240 118.009 1.231 25791 15692 1 40 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.073 0.043 25791 15693 1 40 . 1 1 44 44 GLN C C 44 179.012 179.012 178.363 0.649 25791 15694 1 40 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.944 0.205 25791 15695 1 40 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.813 0.041 25791 15696 1 40 . 1 1 44 44 GLN H H 44 8.372 8.372 8.269 0.103 25791 15697 1 40 . 1 1 45 45 HIS N N 45 121.705 121.705 121.063 0.642 25791 15698 1 40 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.295 -0.015 25791 15699 1 40 . 1 1 45 45 HIS C C 45 176.395 176.395 177.213 -0.818 25791 15700 1 40 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.304 1.055 25791 15701 1 40 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.581 1.744 25791 15702 1 40 . 1 1 45 45 HIS H H 45 9.472 9.472 8.673 0.799 25791 15703 1 40 . 1 1 46 46 TYR N N 46 119.039 119.039 120.166 -1.127 25791 15704 1 40 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.016 -0.167 25791 15705 1 40 . 1 1 46 46 TYR C C 46 176.664 176.664 178.076 -1.412 25791 15706 1 40 . 1 1 46 46 TYR CA C 46 62.251 62.251 62.130 0.121 25791 15707 1 40 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.455 -0.783 25791 15708 1 40 . 1 1 46 46 TYR H H 46 8.253 8.253 8.530 -0.277 25791 15709 1 40 . 1 1 47 47 GLN N N 47 116.407 116.407 117.896 -1.489 25791 15710 1 40 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.881 -0.097 25791 15711 1 40 . 1 1 47 47 GLN C C 47 179.048 179.048 178.319 0.729 25791 15712 1 40 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.302 -0.353 25791 15713 1 40 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.609 -0.428 25791 15714 1 40 . 1 1 47 47 GLN H H 47 7.814 7.814 8.280 -0.466 25791 15715 1 40 . 1 1 48 48 GLN N N 48 119.803 119.803 119.808 -0.005 25791 15716 1 40 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.079 -0.102 25791 15717 1 40 . 1 1 48 48 GLN C C 48 177.741 177.741 178.244 -0.503 25791 15718 1 40 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.327 -0.013 25791 15719 1 40 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.334 -0.006 25791 15720 1 40 . 1 1 48 48 GLN H H 48 8.645 8.645 8.482 0.163 25791 15721 1 40 . 1 1 49 49 TYR N N 49 121.342 121.342 121.956 -0.614 25791 15722 1 40 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.152 -0.512 25791 15723 1 40 . 1 1 49 49 TYR C C 49 176.021 176.021 177.368 -1.347 25791 15724 1 40 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.417 0.692 25791 15725 1 40 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.066 0.841 25791 15726 1 40 . 1 1 49 49 TYR H H 49 9.105 9.105 8.670 0.435 25791 15727 1 40 . 1 1 50 50 MET N N 50 115.522 115.522 118.369 -2.847 25791 15728 1 40 . 1 1 50 50 MET HA H 50 4.040 4.040 3.592 0.448 25791 15729 1 40 . 1 1 50 50 MET C C 50 179.841 179.841 178.115 1.726 25791 15730 1 40 . 1 1 50 50 MET CA C 50 56.623 56.623 56.740 -0.117 25791 15731 1 40 . 1 1 50 50 MET CB C 50 30.099 30.099 31.608 -1.509 25791 15732 1 40 . 1 1 50 50 MET H H 50 8.060 8.060 8.237 -0.177 25791 15733 1 40 . 1 1 51 51 GLN N N 51 118.942 118.942 118.933 0.009 25791 15734 1 40 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.872 0.193 25791 15735 1 40 . 1 1 51 51 GLN C C 51 178.707 178.707 178.258 0.449 25791 15736 1 40 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.301 -0.360 25791 15737 1 40 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.261 0.228 25791 15738 1 40 . 1 1 51 51 GLN H H 51 7.830 7.830 8.212 -0.382 25791 15739 1 40 . 1 1 52 52 GLN N N 52 119.210 119.210 119.683 -0.473 25791 15740 1 40 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.035 0.022 25791 15741 1 40 . 1 1 52 52 GLN C C 52 178.738 178.738 178.406 0.332 25791 15742 1 40 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.527 0.222 25791 15743 1 40 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.783 -0.380 25791 15744 1 40 . 1 1 52 52 GLN H H 52 8.187 8.187 7.947 0.240 25791 15745 1 40 . 1 1 53 53 LEU N N 53 121.233 121.233 121.331 -0.098 25791 15746 1 40 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.816 0.025 25791 15747 1 40 . 1 1 53 53 LEU C C 53 179.191 179.191 178.172 1.019 25791 15748 1 40 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.774 -0.029 25791 15749 1 40 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.253 0.613 25791 15750 1 40 . 1 1 53 53 LEU H H 53 8.441 8.441 8.065 0.376 25791 15751 1 40 . 1 1 54 54 TYR N N 54 118.505 118.505 119.391 -0.886 25791 15752 1 40 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.904 0.414 25791 15753 1 40 . 1 1 54 54 TYR C C 54 177.535 177.535 177.527 0.008 25791 15754 1 40 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.177 -1.700 25791 15755 1 40 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.403 -0.617 25791 15756 1 40 . 1 1 54 54 TYR H H 54 7.819 7.819 8.569 -0.750 25791 15757 1 40 . 1 1 55 55 GLN N N 55 117.299 117.299 117.853 -0.554 25791 15758 1 40 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.053 -0.154 25791 15759 1 40 . 1 1 55 55 GLN C C 55 179.041 179.041 178.540 0.501 25791 15760 1 40 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.963 -0.254 25791 15761 1 40 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.704 -0.489 25791 15762 1 40 . 1 1 55 55 GLN H H 55 7.735 7.735 7.737 -0.002 25791 15763 1 40 . 1 1 56 56 VAL N N 56 120.879 120.879 120.139 0.740 25791 15764 1 40 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.658 0.134 25791 15765 1 40 . 1 1 56 56 VAL C C 56 178.262 178.262 178.112 0.150 25791 15766 1 40 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.288 -0.346 25791 15767 1 40 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.323 0.556 25791 15768 1 40 . 1 1 56 56 VAL H H 56 8.014 8.014 7.811 0.203 25791 15769 1 40 . 1 1 57 57 GLN N N 57 120.513 120.513 119.027 1.486 25791 15770 1 40 . 1 1 57 57 GLN HA H 57 4.060 4.060 4.054 0.006 25791 15771 1 40 . 1 1 57 57 GLN C C 57 178.772 178.772 178.403 0.369 25791 15772 1 40 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.215 0.401 25791 15773 1 40 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.830 0.155 25791 15774 1 40 . 1 1 57 57 GLN H H 57 8.103 8.103 8.093 0.010 25791 15775 1 40 . 1 1 58 58 LEU N N 58 121.244 121.244 121.601 -0.357 25791 15776 1 40 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.883 0.122 25791 15777 1 40 . 1 1 58 58 LEU C C 58 179.134 179.134 178.056 1.078 25791 15778 1 40 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.028 0.478 25791 15779 1 40 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.124 0.679 25791 15780 1 40 . 1 1 58 58 LEU H H 58 8.176 8.176 8.278 -0.102 25791 15781 1 40 . 1 1 59 59 ALA N N 59 121.608 121.608 121.283 0.325 25791 15782 1 40 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.873 0.292 25791 15783 1 40 . 1 1 59 59 ALA C C 59 180.497 180.497 179.889 0.608 25791 15784 1 40 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.328 -0.746 25791 15785 1 40 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.149 -0.096 25791 15786 1 40 . 1 1 59 59 ALA H H 59 7.833 7.833 8.048 -0.215 25791 15787 1 40 . 1 1 60 60 GLN N N 60 118.335 118.335 117.076 1.259 25791 15788 1 40 . 1 1 60 60 GLN HA H 60 4.148 4.148 4.016 0.132 25791 15789 1 40 . 1 1 60 60 GLN C C 60 178.334 178.334 178.491 -0.157 25791 15790 1 40 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.300 -0.323 25791 15791 1 40 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.299 0.136 25791 15792 1 40 . 1 1 60 60 GLN H H 60 8.081 8.081 7.757 0.324 25791 15793 1 40 . 1 1 61 61 GLN N N 61 120.206 120.206 120.179 0.027 25791 15794 1 40 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.972 0.190 25791 15795 1 40 . 1 1 61 61 GLN C C 61 178.002 178.002 178.383 -0.381 25791 15796 1 40 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.893 -0.988 25791 15797 1 40 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.554 0.025 25791 15798 1 40 . 1 1 61 61 GLN H H 61 8.111 8.111 8.013 0.098 25791 15799 1 40 . 1 1 62 62 GLN N N 62 118.980 118.980 118.899 0.081 25791 15800 1 40 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.054 0.075 25791 15801 1 40 . 1 1 62 62 GLN C C 62 177.624 177.624 178.419 -0.795 25791 15802 1 40 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.498 -0.862 25791 15803 1 40 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.259 0.377 25791 15804 1 40 . 1 1 62 62 GLN H H 62 8.203 8.203 8.543 -0.340 25791 15805 1 40 . 1 1 63 63 ALA N N 63 122.712 122.712 121.165 1.547 25791 15806 1 40 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.131 0.075 25791 15807 1 40 . 1 1 63 63 ALA C C 63 178.922 178.922 178.751 0.171 25791 15808 1 40 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.249 -0.353 25791 15809 1 40 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.250 0.209 25791 15810 1 40 . 1 1 63 63 ALA H H 63 8.004 8.004 7.892 0.112 25791 15811 1 40 . 1 1 64 64 ALA N N 64 120.813 120.813 120.613 0.200 25791 15812 1 40 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.200 0.032 25791 15813 1 40 . 1 1 64 64 ALA C C 64 178.732 178.732 178.764 -0.032 25791 15814 1 40 . 1 1 64 64 ALA CA C 64 53.516 53.516 53.816 -0.300 25791 15815 1 40 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.232 -0.602 25791 15816 1 40 . 1 1 64 64 ALA H H 64 7.837 7.837 7.618 0.219 25791 15817 1 40 . 1 1 65 65 LEU N N 65 119.196 119.196 119.815 -0.619 25791 15818 1 40 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.214 0.043 25791 15819 1 40 . 1 1 65 65 LEU C C 65 178.038 178.038 177.894 0.144 25791 15820 1 40 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.517 -0.695 25791 15821 1 40 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.008 0.256 25791 15822 1 40 . 1 1 65 65 LEU H H 65 7.765 7.765 7.907 -0.142 25791 15823 1 40 . 1 1 66 66 GLN N N 66 119.365 119.365 115.833 3.532 25791 15824 1 40 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.922 0.353 25791 15825 1 40 . 1 1 66 66 GLN C C 66 176.120 176.120 175.653 0.467 25791 15826 1 40 . 1 1 66 66 GLN CA C 66 56.067 56.067 56.983 -0.916 25791 15827 1 40 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.479 2.654 25791 15828 1 40 . 1 1 66 66 GLN H H 66 7.967 7.967 8.102 -0.135 25791 15829 1 40 . 1 1 67 67 LYS N N 67 121.521 121.521 118.760 2.761 25791 15830 1 40 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.409 -0.100 25791 15831 1 40 . 1 1 67 67 LYS C C 67 176.437 176.437 176.077 0.360 25791 15832 1 40 . 1 1 67 67 LYS CA C 67 56.389 56.389 55.580 0.809 25791 15833 1 40 . 1 1 67 67 LYS CB C 67 33.041 33.041 32.806 0.235 25791 15834 1 40 . 1 1 67 67 LYS H H 67 8.053 8.053 8.032 0.021 25791 15835 1 40 . 1 1 68 68 GLN N N 68 121.970 121.970 117.684 4.286 25791 15836 1 40 . 1 1 68 68 GLN HA H 68 4.339 4.339 3.947 0.392 25791 15837 1 40 . 1 1 68 68 GLN C C 68 175.120 175.120 174.432 0.688 25791 15838 1 40 . 1 1 68 68 GLN CA C 68 56.000 56.000 56.832 -0.832 25791 15839 1 40 . 1 1 68 68 GLN CB C 68 29.498 29.498 27.234 2.264 25791 15840 1 40 . 1 1 68 68 GLN H H 68 8.314 8.314 8.447 -0.133 25791 15841 1 41 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.100 0.347 25791 15842 1 41 . 1 1 2 2 GLN C C 2 176.144 176.144 177.046 -0.902 25791 15843 1 41 . 1 1 2 2 GLN CA C 2 56.209 56.209 58.189 -1.980 25791 15844 1 41 . 1 1 2 2 GLN CB C 2 29.459 29.459 28.234 1.225 25791 15845 1 41 . 1 1 3 3 GLN N N 3 122.052 122.052 118.885 3.167 25791 15846 1 41 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.266 0.057 25791 15847 1 41 . 1 1 3 3 GLN C C 3 176.988 176.988 178.335 -1.347 25791 15848 1 41 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.222 -0.819 25791 15849 1 41 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.386 0.853 25791 15850 1 41 . 1 1 3 3 GLN H H 3 8.780 8.780 8.524 0.256 25791 15851 1 41 . 1 1 4 4 LYS N N 4 121.855 121.855 120.047 1.808 25791 15852 1 41 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.058 -0.054 25791 15853 1 41 . 1 1 4 4 LYS C C 4 177.638 177.638 178.465 -0.827 25791 15854 1 41 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.353 0.886 25791 15855 1 41 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.133 0.566 25791 15856 1 41 . 1 1 4 4 LYS H H 4 8.528 8.528 7.731 0.796 25791 15857 1 41 . 1 1 5 5 GLN N N 5 116.397 116.397 117.721 -1.324 25791 15858 1 41 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.919 0.022 25791 15859 1 41 . 1 1 5 5 GLN C C 5 178.761 178.761 178.318 0.443 25791 15860 1 41 . 1 1 5 5 GLN CA C 5 59.349 59.349 59.050 0.299 25791 15861 1 41 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.422 -0.472 25791 15862 1 41 . 1 1 5 5 GLN H H 5 8.223 8.223 7.732 0.491 25791 15863 1 41 . 1 1 6 6 GLN N N 6 119.262 119.262 118.893 0.369 25791 15864 1 41 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.140 -0.012 25791 15865 1 41 . 1 1 6 6 GLN C C 6 179.018 179.018 178.226 0.792 25791 15866 1 41 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.540 0.549 25791 15867 1 41 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.128 0.582 25791 15868 1 41 . 1 1 6 6 GLN H H 6 7.848 7.848 7.750 0.098 25791 15869 1 41 . 1 1 7 7 ILE N N 7 121.296 121.296 121.683 -0.387 25791 15870 1 41 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.859 -0.276 25791 15871 1 41 . 1 1 7 7 ILE C C 7 177.833 177.833 178.156 -0.323 25791 15872 1 41 . 1 1 7 7 ILE CA C 7 65.129 65.129 63.109 2.020 25791 15873 1 41 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.165 1.041 25791 15874 1 41 . 1 1 7 7 ILE H H 7 8.095 8.095 7.309 0.786 25791 15875 1 41 . 1 1 8 8 MET N N 8 117.603 117.603 118.686 -1.083 25791 15876 1 41 . 1 1 8 8 MET HA H 8 3.985 3.985 4.051 -0.066 25791 15877 1 41 . 1 1 8 8 MET C C 8 177.355 177.355 178.831 -1.476 25791 15878 1 41 . 1 1 8 8 MET CA C 8 59.932 59.932 59.559 0.373 25791 15879 1 41 . 1 1 8 8 MET CB C 8 32.721 32.721 32.033 0.688 25791 15880 1 41 . 1 1 8 8 MET H H 8 8.672 8.672 8.317 0.355 25791 15881 1 41 . 1 1 9 9 ALA N N 9 118.774 118.774 121.537 -2.763 25791 15882 1 41 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.060 -0.014 25791 15883 1 41 . 1 1 9 9 ALA C C 9 180.546 180.546 179.292 1.254 25791 15884 1 41 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.015 0.370 25791 15885 1 41 . 1 1 9 9 ALA CB C 9 17.898 17.898 18.020 -0.122 25791 15886 1 41 . 1 1 9 9 ALA H H 9 7.795 7.795 7.999 -0.204 25791 15887 1 41 . 1 1 10 10 ALA N N 10 120.854 120.854 121.379 -0.525 25791 15888 1 41 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.107 0.098 25791 15889 1 41 . 1 1 10 10 ALA C C 10 181.200 181.200 179.570 1.630 25791 15890 1 41 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.737 0.275 25791 15891 1 41 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.331 0.930 25791 15892 1 41 . 1 1 10 10 ALA H H 10 7.438 7.438 7.631 -0.193 25791 15893 1 41 . 1 1 11 11 LEU N N 11 120.775 120.775 118.478 2.297 25791 15894 1 41 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.772 -0.024 25791 15895 1 41 . 1 1 11 11 LEU C C 11 179.041 179.041 179.082 -0.041 25791 15896 1 41 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.774 0.572 25791 15897 1 41 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.168 -1.191 25791 15898 1 41 . 1 1 11 11 LEU H H 11 8.757 8.757 8.596 0.161 25791 15899 1 41 . 1 1 12 12 ASN N N 12 116.313 116.313 116.792 -0.479 25791 15900 1 41 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.480 0.084 25791 15901 1 41 . 1 1 12 12 ASN C C 12 178.900 178.900 176.103 2.797 25791 15902 1 41 . 1 1 12 12 ASN CA C 12 54.065 54.065 56.431 -2.366 25791 15903 1 41 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.539 -1.546 25791 15904 1 41 . 1 1 12 12 ASN H H 12 8.850 8.850 7.913 0.937 25791 15905 1 41 . 1 1 13 13 SER N N 13 114.747 114.747 114.414 0.333 25791 15906 1 41 . 1 1 13 13 SER HA H 13 4.370 4.370 4.234 0.136 25791 15907 1 41 . 1 1 13 13 SER C C 13 176.515 176.515 176.939 -0.424 25791 15908 1 41 . 1 1 13 13 SER CA C 13 61.141 61.141 61.047 0.094 25791 15909 1 41 . 1 1 13 13 SER CB C 13 63.044 63.044 63.217 -0.173 25791 15910 1 41 . 1 1 13 13 SER H H 13 7.672 7.672 7.467 0.205 25791 15911 1 41 . 1 1 14 14 GLN N N 14 119.954 119.954 118.648 1.306 25791 15912 1 41 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.153 0.065 25791 15913 1 41 . 1 1 14 14 GLN C C 14 178.208 178.208 177.098 1.110 25791 15914 1 41 . 1 1 14 14 GLN CA C 14 57.749 57.749 57.993 -0.244 25791 15915 1 41 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.665 0.035 25791 15916 1 41 . 1 1 14 14 GLN H H 14 7.573 7.573 7.836 -0.263 25791 15917 1 41 . 1 1 15 15 THR N N 15 107.493 107.493 107.539 -0.046 25791 15918 1 41 . 1 1 15 15 THR HA H 15 3.899 3.899 4.362 -0.463 25791 15919 1 41 . 1 1 15 15 THR C C 15 174.683 174.683 174.540 0.143 25791 15920 1 41 . 1 1 15 15 THR CA C 15 61.551 61.551 60.208 1.343 25791 15921 1 41 . 1 1 15 15 THR CB C 15 69.226 69.226 69.079 0.147 25791 15922 1 41 . 1 1 15 15 THR H H 15 7.741 7.741 7.397 0.344 25791 15923 1 41 . 1 1 16 16 ALA N N 16 124.034 124.034 126.196 -2.162 25791 15924 1 41 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.027 0.108 25791 15925 1 41 . 1 1 16 16 ALA C C 16 179.899 179.899 178.658 1.241 25791 15926 1 41 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.694 0.513 25791 15927 1 41 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.270 0.454 25791 15928 1 41 . 1 1 16 16 ALA H H 16 6.873 6.873 7.520 -0.647 25791 15929 1 41 . 1 1 17 17 VAL N N 17 117.150 117.150 118.014 -0.864 25791 15930 1 41 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.745 -0.031 25791 15931 1 41 . 1 1 17 17 VAL C C 17 178.537 178.537 177.438 1.099 25791 15932 1 41 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.186 1.322 25791 15933 1 41 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.743 -0.050 25791 15934 1 41 . 1 1 17 17 VAL H H 17 8.162 8.162 8.456 -0.294 25791 15935 1 41 . 1 1 18 18 GLN N N 18 119.489 119.489 119.082 0.407 25791 15936 1 41 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.083 -0.026 25791 15937 1 41 . 1 1 18 18 GLN C C 18 180.429 180.429 178.651 1.778 25791 15938 1 41 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.270 0.429 25791 15939 1 41 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.580 0.606 25791 15940 1 41 . 1 1 18 18 GLN H H 18 8.451 8.451 8.093 0.358 25791 15941 1 41 . 1 1 19 19 PHE N N 19 117.940 117.940 118.886 -0.946 25791 15942 1 41 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.480 0.350 25791 15943 1 41 . 1 1 19 19 PHE C C 19 177.858 177.858 178.254 -0.396 25791 15944 1 41 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.560 -1.531 25791 15945 1 41 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.217 -2.312 25791 15946 1 41 . 1 1 19 19 PHE H H 19 8.924 8.924 8.827 0.097 25791 15947 1 41 . 1 1 20 20 GLN N N 20 120.297 120.297 119.517 0.780 25791 15948 1 41 . 1 1 20 20 GLN HA H 20 4.106 4.106 4.002 0.104 25791 15949 1 41 . 1 1 20 20 GLN C C 20 178.986 178.986 178.726 0.260 25791 15950 1 41 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.773 -0.210 25791 15951 1 41 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.576 -0.681 25791 15952 1 41 . 1 1 20 20 GLN H H 20 8.264 8.264 8.240 0.024 25791 15953 1 41 . 1 1 21 21 GLN N N 21 118.595 118.595 119.028 -0.433 25791 15954 1 41 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.102 -0.020 25791 15955 1 41 . 1 1 21 21 GLN C C 21 178.806 178.806 178.517 0.289 25791 15956 1 41 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.804 0.366 25791 15957 1 41 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.936 -0.740 25791 15958 1 41 . 1 1 21 21 GLN H H 21 8.527 8.527 8.454 0.073 25791 15959 1 41 . 1 1 22 22 TYR N N 22 119.594 119.594 121.319 -1.725 25791 15960 1 41 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.147 0.100 25791 15961 1 41 . 1 1 22 22 TYR C C 22 177.789 177.789 176.872 0.917 25791 15962 1 41 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.649 1.063 25791 15963 1 41 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.334 0.390 25791 15964 1 41 . 1 1 22 22 TYR H H 22 7.843 7.843 7.992 -0.149 25791 15965 1 41 . 1 1 23 23 ALA N N 23 120.663 120.663 121.253 -0.590 25791 15966 1 41 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.750 0.107 25791 15967 1 41 . 1 1 23 23 ALA C C 23 179.319 179.319 178.779 0.540 25791 15968 1 41 . 1 1 23 23 ALA CA C 23 55.589 55.589 55.002 0.587 25791 15969 1 41 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.188 0.294 25791 15970 1 41 . 1 1 23 23 ALA H H 23 8.612 8.612 8.615 -0.003 25791 15971 1 41 . 1 1 24 24 ALA N N 24 119.002 119.002 120.888 -1.886 25791 15972 1 41 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.108 -0.170 25791 15973 1 41 . 1 1 24 24 ALA C C 24 178.987 178.987 178.954 0.033 25791 15974 1 41 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.378 -0.061 25791 15975 1 41 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.764 -0.873 25791 15976 1 41 . 1 1 24 24 ALA H H 24 8.168 8.168 8.067 0.101 25791 15977 1 41 . 1 1 25 25 GLN N N 25 115.599 115.599 116.349 -0.750 25791 15978 1 41 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.048 -0.044 25791 15979 1 41 . 1 1 25 25 GLN C C 25 177.818 177.818 177.871 -0.053 25791 15980 1 41 . 1 1 25 25 GLN CA C 25 57.454 57.454 57.878 -0.424 25791 15981 1 41 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.649 -0.194 25791 15982 1 41 . 1 1 25 25 GLN H H 25 7.300 7.300 7.640 -0.340 25791 15983 1 41 . 1 1 26 26 GLN N N 26 116.989 116.989 117.499 -0.510 25791 15984 1 41 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.892 -0.188 25791 15985 1 41 . 1 1 26 26 GLN C C 26 175.979 175.979 175.838 0.141 25791 15986 1 41 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.863 -0.075 25791 15987 1 41 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.720 -0.639 25791 15988 1 41 . 1 1 26 26 GLN H H 26 7.401 7.401 7.438 -0.037 25791 15989 1 41 . 1 1 27 27 TYR N N 27 114.712 114.712 117.062 -2.350 25791 15990 1 41 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.925 0.153 25791 15991 1 41 . 1 1 27 27 TYR C C 27 172.931 172.931 173.542 -0.611 25791 15992 1 41 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.911 0.256 25791 15993 1 41 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.620 1.040 25791 15994 1 41 . 1 1 27 27 TYR H H 27 7.675 7.675 8.054 -0.379 25791 15995 1 41 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.478 -0.116 25791 15996 1 41 . 1 1 28 28 PRO C C 28 179.333 179.333 177.969 1.364 25791 15997 1 41 . 1 1 28 28 PRO CA C 28 64.394 64.394 64.093 0.301 25791 15998 1 41 . 1 1 28 28 PRO CB C 28 31.254 31.254 31.894 -0.640 25791 15999 1 41 . 1 1 29 29 GLY N N 29 110.091 110.091 112.937 -2.846 25791 16000 1 41 . 1 1 29 29 GLY C C 29 173.218 173.218 174.589 -1.371 25791 16001 1 41 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.287 0.625 25791 16002 1 41 . 1 1 29 29 GLY H H 29 8.826 8.826 8.838 -0.012 25791 16003 1 41 . 1 1 30 30 ASN N N 30 118.603 118.603 122.272 -3.669 25791 16004 1 41 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.865 0.134 25791 16005 1 41 . 1 1 30 30 ASN C C 30 173.977 173.977 174.869 -0.892 25791 16006 1 41 . 1 1 30 30 ASN CA C 30 51.185 51.185 52.440 -1.255 25791 16007 1 41 . 1 1 30 30 ASN CB C 30 38.426 38.426 37.756 0.670 25791 16008 1 41 . 1 1 30 30 ASN H H 30 7.293 7.293 7.801 -0.508 25791 16009 1 41 . 1 1 31 31 TYR N N 31 125.240 125.240 126.526 -1.286 25791 16010 1 41 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.043 -0.145 25791 16011 1 41 . 1 1 31 31 TYR C C 31 177.343 177.343 176.467 0.876 25791 16012 1 41 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.773 -0.962 25791 16013 1 41 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.762 -0.405 25791 16014 1 41 . 1 1 31 31 TYR H H 31 8.509 8.509 8.017 0.492 25791 16015 1 41 . 1 1 32 32 GLU N N 32 118.993 118.993 116.552 2.441 25791 16016 1 41 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.516 0.384 25791 16017 1 41 . 1 1 32 32 GLU C C 32 179.549 179.549 178.570 0.979 25791 16018 1 41 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.306 0.806 25791 16019 1 41 . 1 1 32 32 GLU CB C 32 29.168 29.168 27.983 1.185 25791 16020 1 41 . 1 1 32 32 GLU H H 32 8.714 8.714 8.687 0.027 25791 16021 1 41 . 1 1 33 33 GLN N N 33 117.037 117.037 118.846 -1.809 25791 16022 1 41 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.859 -0.126 25791 16023 1 41 . 1 1 33 33 GLN C C 33 179.119 179.119 178.551 0.568 25791 16024 1 41 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.205 -0.503 25791 16025 1 41 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.513 0.113 25791 16026 1 41 . 1 1 33 33 GLN H H 33 7.536 7.536 8.281 -0.745 25791 16027 1 41 . 1 1 34 34 GLN N N 34 117.723 117.723 119.716 -1.993 25791 16028 1 41 . 1 1 34 34 GLN HA H 34 3.811 3.811 3.987 -0.176 25791 16029 1 41 . 1 1 34 34 GLN C C 34 177.634 177.634 178.512 -0.878 25791 16030 1 41 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.373 0.792 25791 16031 1 41 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.553 -1.052 25791 16032 1 41 . 1 1 34 34 GLN H H 34 7.968 7.968 8.261 -0.293 25791 16033 1 41 . 1 1 35 35 GLN N N 35 115.293 115.293 118.902 -3.609 25791 16034 1 41 . 1 1 35 35 GLN HA H 35 3.791 3.791 3.991 -0.200 25791 16035 1 41 . 1 1 35 35 GLN C C 35 178.757 178.757 178.597 0.160 25791 16036 1 41 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.321 0.289 25791 16037 1 41 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.141 0.064 25791 16038 1 41 . 1 1 35 35 GLN H H 35 7.870 7.870 7.887 -0.017 25791 16039 1 41 . 1 1 36 36 ILE N N 36 120.769 120.769 120.704 0.065 25791 16040 1 41 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.611 -0.047 25791 16041 1 41 . 1 1 36 36 ILE C C 36 178.273 178.273 178.016 0.257 25791 16042 1 41 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.299 -0.063 25791 16043 1 41 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.663 0.710 25791 16044 1 41 . 1 1 36 36 ILE H H 36 7.503 7.503 8.017 -0.514 25791 16045 1 41 . 1 1 37 37 LEU N N 37 121.056 121.056 121.114 -0.058 25791 16046 1 41 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.013 0.296 25791 16047 1 41 . 1 1 37 37 LEU C C 37 178.348 178.348 178.237 0.111 25791 16048 1 41 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.797 -0.063 25791 16049 1 41 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.615 -0.099 25791 16050 1 41 . 1 1 37 37 LEU H H 37 7.678 7.678 7.835 -0.157 25791 16051 1 41 . 1 1 38 38 ILE N N 38 119.334 119.334 119.694 -0.360 25791 16052 1 41 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.536 -0.195 25791 16053 1 41 . 1 1 38 38 ILE C C 38 177.371 177.371 177.971 -0.600 25791 16054 1 41 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.572 1.513 25791 16055 1 41 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.504 0.845 25791 16056 1 41 . 1 1 38 38 ILE H H 38 8.702 8.702 8.262 0.440 25791 16057 1 41 . 1 1 39 39 ARG N N 39 117.798 117.798 119.857 -2.059 25791 16058 1 41 . 1 1 39 39 ARG HA H 39 4.215 4.215 3.972 0.243 25791 16059 1 41 . 1 1 39 39 ARG C C 39 179.555 179.555 179.039 0.516 25791 16060 1 41 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.905 -0.446 25791 16061 1 41 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.735 0.017 25791 16062 1 41 . 1 1 39 39 ARG H H 39 7.739 7.739 8.274 -0.535 25791 16063 1 41 . 1 1 40 40 GLN N N 40 119.432 119.432 118.617 0.815 25791 16064 1 41 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.126 0.011 25791 16065 1 41 . 1 1 40 40 GLN C C 40 179.522 179.522 178.855 0.667 25791 16066 1 41 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.353 0.907 25791 16067 1 41 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.395 -0.037 25791 16068 1 41 . 1 1 40 40 GLN H H 40 7.811 7.811 7.802 0.009 25791 16069 1 41 . 1 1 41 41 LEU N N 41 121.592 121.592 120.561 1.031 25791 16070 1 41 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.754 -0.067 25791 16071 1 41 . 1 1 41 41 LEU C C 41 178.974 178.974 179.362 -0.388 25791 16072 1 41 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.749 0.214 25791 16073 1 41 . 1 1 41 41 LEU CB C 41 39.852 39.852 41.028 -1.176 25791 16074 1 41 . 1 1 41 41 LEU H H 41 8.648 8.648 8.493 0.155 25791 16075 1 41 . 1 1 42 42 GLN N N 42 119.054 119.054 117.981 1.073 25791 16076 1 41 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.539 0.005 25791 16077 1 41 . 1 1 42 42 GLN C C 42 180.176 180.176 178.998 1.178 25791 16078 1 41 . 1 1 42 42 GLN CA C 42 59.234 59.234 58.370 0.864 25791 16079 1 41 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.370 -0.450 25791 16080 1 41 . 1 1 42 42 GLN H H 42 8.641 8.641 8.709 -0.068 25791 16081 1 41 . 1 1 43 43 GLU N N 43 121.517 121.517 122.181 -0.664 25791 16082 1 41 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.059 0.177 25791 16083 1 41 . 1 1 43 43 GLU C C 43 179.721 179.721 178.915 0.806 25791 16084 1 41 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.940 -0.273 25791 16085 1 41 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.402 -0.144 25791 16086 1 41 . 1 1 43 43 GLU H H 43 8.111 8.111 8.177 -0.066 25791 16087 1 41 . 1 1 44 44 GLN N N 44 119.240 119.240 118.193 1.047 25791 16088 1 41 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.087 0.029 25791 16089 1 41 . 1 1 44 44 GLN C C 44 179.012 179.012 178.421 0.591 25791 16090 1 41 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.859 0.290 25791 16091 1 41 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.945 -0.091 25791 16092 1 41 . 1 1 44 44 GLN H H 44 8.372 8.372 7.859 0.513 25791 16093 1 41 . 1 1 45 45 HIS N N 45 121.705 121.705 121.057 0.648 25791 16094 1 41 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.300 -0.020 25791 16095 1 41 . 1 1 45 45 HIS C C 45 176.395 176.395 177.287 -0.892 25791 16096 1 41 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.280 1.079 25791 16097 1 41 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.597 1.728 25791 16098 1 41 . 1 1 45 45 HIS H H 45 9.472 9.472 8.449 1.023 25791 16099 1 41 . 1 1 46 46 TYR N N 46 119.039 119.039 120.334 -1.295 25791 16100 1 41 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.015 -0.166 25791 16101 1 41 . 1 1 46 46 TYR C C 46 176.664 176.664 178.015 -1.351 25791 16102 1 41 . 1 1 46 46 TYR CA C 46 62.251 62.251 62.144 0.107 25791 16103 1 41 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.469 -0.797 25791 16104 1 41 . 1 1 46 46 TYR H H 46 8.253 8.253 8.682 -0.429 25791 16105 1 41 . 1 1 47 47 GLN N N 47 116.407 116.407 117.729 -1.322 25791 16106 1 41 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.802 -0.018 25791 16107 1 41 . 1 1 47 47 GLN C C 47 179.048 179.048 178.302 0.746 25791 16108 1 41 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.240 -0.291 25791 16109 1 41 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.564 -0.383 25791 16110 1 41 . 1 1 47 47 GLN H H 47 7.814 7.814 8.399 -0.585 25791 16111 1 41 . 1 1 48 48 GLN N N 48 119.803 119.803 120.087 -0.284 25791 16112 1 41 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.088 -0.111 25791 16113 1 41 . 1 1 48 48 GLN C C 48 177.741 177.741 178.164 -0.423 25791 16114 1 41 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.414 -0.100 25791 16115 1 41 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.357 -0.029 25791 16116 1 41 . 1 1 48 48 GLN H H 48 8.645 8.645 8.389 0.256 25791 16117 1 41 . 1 1 49 49 TYR N N 49 121.342 121.342 121.469 -0.127 25791 16118 1 41 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.127 -0.487 25791 16119 1 41 . 1 1 49 49 TYR C C 49 176.021 176.021 177.552 -1.531 25791 16120 1 41 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.321 0.788 25791 16121 1 41 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.163 0.744 25791 16122 1 41 . 1 1 49 49 TYR H H 49 9.105 9.105 8.470 0.635 25791 16123 1 41 . 1 1 50 50 MET N N 50 115.522 115.522 118.529 -3.007 25791 16124 1 41 . 1 1 50 50 MET HA H 50 4.040 4.040 3.673 0.367 25791 16125 1 41 . 1 1 50 50 MET C C 50 179.841 179.841 178.322 1.519 25791 16126 1 41 . 1 1 50 50 MET CA C 50 56.623 56.623 56.534 0.089 25791 16127 1 41 . 1 1 50 50 MET CB C 50 30.099 30.099 31.650 -1.551 25791 16128 1 41 . 1 1 50 50 MET H H 50 8.060 8.060 8.342 -0.282 25791 16129 1 41 . 1 1 51 51 GLN N N 51 118.942 118.942 118.737 0.205 25791 16130 1 41 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.840 0.225 25791 16131 1 41 . 1 1 51 51 GLN C C 51 178.707 178.707 178.390 0.317 25791 16132 1 41 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.149 -0.208 25791 16133 1 41 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.468 0.021 25791 16134 1 41 . 1 1 51 51 GLN H H 51 7.830 7.830 8.424 -0.594 25791 16135 1 41 . 1 1 52 52 GLN N N 52 119.210 119.210 120.045 -0.835 25791 16136 1 41 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.258 -0.201 25791 16137 1 41 . 1 1 52 52 GLN C C 52 178.738 178.738 178.651 0.087 25791 16138 1 41 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.286 0.463 25791 16139 1 41 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.525 -0.122 25791 16140 1 41 . 1 1 52 52 GLN H H 52 8.187 8.187 8.162 0.025 25791 16141 1 41 . 1 1 53 53 LEU N N 53 121.233 121.233 121.075 0.158 25791 16142 1 41 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.883 -0.042 25791 16143 1 41 . 1 1 53 53 LEU C C 53 179.191 179.191 177.986 1.205 25791 16144 1 41 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.646 0.099 25791 16145 1 41 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.281 0.585 25791 16146 1 41 . 1 1 53 53 LEU H H 53 8.441 8.441 8.124 0.317 25791 16147 1 41 . 1 1 54 54 TYR N N 54 118.505 118.505 119.589 -1.084 25791 16148 1 41 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.898 0.420 25791 16149 1 41 . 1 1 54 54 TYR C C 54 177.535 177.535 177.521 0.014 25791 16150 1 41 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.251 -1.774 25791 16151 1 41 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.462 -0.676 25791 16152 1 41 . 1 1 54 54 TYR H H 54 7.819 7.819 8.344 -0.525 25791 16153 1 41 . 1 1 55 55 GLN N N 55 117.299 117.299 117.877 -0.578 25791 16154 1 41 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.017 -0.118 25791 16155 1 41 . 1 1 55 55 GLN C C 55 179.041 179.041 178.563 0.478 25791 16156 1 41 . 1 1 55 55 GLN CA C 55 58.709 58.709 59.028 -0.319 25791 16157 1 41 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.634 -0.419 25791 16158 1 41 . 1 1 55 55 GLN H H 55 7.735 7.735 7.834 -0.099 25791 16159 1 41 . 1 1 56 56 VAL N N 56 120.879 120.879 119.851 1.028 25791 16160 1 41 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.677 0.115 25791 16161 1 41 . 1 1 56 56 VAL C C 56 178.262 178.262 178.064 0.198 25791 16162 1 41 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.304 -0.362 25791 16163 1 41 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.419 0.459 25791 16164 1 41 . 1 1 56 56 VAL H H 56 8.014 8.014 7.637 0.377 25791 16165 1 41 . 1 1 57 57 GLN N N 57 120.513 120.513 119.432 1.081 25791 16166 1 41 . 1 1 57 57 GLN HA H 57 4.060 4.060 4.044 0.016 25791 16167 1 41 . 1 1 57 57 GLN C C 57 178.772 178.772 178.275 0.497 25791 16168 1 41 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.121 0.495 25791 16169 1 41 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.742 0.243 25791 16170 1 41 . 1 1 57 57 GLN H H 57 8.103 8.103 8.071 0.032 25791 16171 1 41 . 1 1 58 58 LEU N N 58 121.244 121.244 121.518 -0.274 25791 16172 1 41 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.910 0.095 25791 16173 1 41 . 1 1 58 58 LEU C C 58 179.134 179.134 178.202 0.932 25791 16174 1 41 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.280 0.226 25791 16175 1 41 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.228 0.575 25791 16176 1 41 . 1 1 58 58 LEU H H 58 8.176 8.176 8.069 0.107 25791 16177 1 41 . 1 1 59 59 ALA N N 59 121.608 121.608 120.953 0.655 25791 16178 1 41 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.876 0.289 25791 16179 1 41 . 1 1 59 59 ALA C C 59 180.497 180.497 179.954 0.543 25791 16180 1 41 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.235 -0.653 25791 16181 1 41 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.101 -0.048 25791 16182 1 41 . 1 1 59 59 ALA H H 59 7.833 7.833 7.958 -0.125 25791 16183 1 41 . 1 1 60 60 GLN N N 60 118.335 118.335 117.338 0.997 25791 16184 1 41 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.973 0.175 25791 16185 1 41 . 1 1 60 60 GLN C C 60 178.334 178.334 178.413 -0.079 25791 16186 1 41 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.666 -0.689 25791 16187 1 41 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.628 -0.194 25791 16188 1 41 . 1 1 60 60 GLN H H 60 8.081 8.081 7.771 0.310 25791 16189 1 41 . 1 1 61 61 GLN N N 61 120.206 120.206 120.102 0.104 25791 16190 1 41 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.969 0.193 25791 16191 1 41 . 1 1 61 61 GLN C C 61 178.002 178.002 178.452 -0.450 25791 16192 1 41 . 1 1 61 61 GLN CA C 61 57.905 57.905 59.075 -1.170 25791 16193 1 41 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.540 0.039 25791 16194 1 41 . 1 1 61 61 GLN H H 61 8.111 8.111 7.941 0.170 25791 16195 1 41 . 1 1 62 62 GLN N N 62 118.980 118.980 117.926 1.054 25791 16196 1 41 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.071 0.058 25791 16197 1 41 . 1 1 62 62 GLN C C 62 177.624 177.624 178.257 -0.633 25791 16198 1 41 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.478 -0.842 25791 16199 1 41 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.482 0.154 25791 16200 1 41 . 1 1 62 62 GLN H H 62 8.203 8.203 8.533 -0.330 25791 16201 1 41 . 1 1 63 63 ALA N N 63 122.712 122.712 121.629 1.083 25791 16202 1 41 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.108 0.098 25791 16203 1 41 . 1 1 63 63 ALA C C 63 178.922 178.922 178.735 0.187 25791 16204 1 41 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.215 -0.319 25791 16205 1 41 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.358 0.101 25791 16206 1 41 . 1 1 63 63 ALA H H 63 8.004 8.004 7.971 0.033 25791 16207 1 41 . 1 1 64 64 ALA N N 64 120.813 120.813 120.331 0.482 25791 16208 1 41 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.162 0.070 25791 16209 1 41 . 1 1 64 64 ALA C C 64 178.732 178.732 178.515 0.217 25791 16210 1 41 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.132 -0.616 25791 16211 1 41 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.218 -0.588 25791 16212 1 41 . 1 1 64 64 ALA H H 64 7.837 7.837 7.643 0.194 25791 16213 1 41 . 1 1 65 65 LEU N N 65 119.196 119.196 117.697 1.499 25791 16214 1 41 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.449 -0.192 25791 16215 1 41 . 1 1 65 65 LEU C C 65 178.038 178.038 177.719 0.319 25791 16216 1 41 . 1 1 65 65 LEU CA C 65 55.822 55.822 55.583 0.239 25791 16217 1 41 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.419 -0.155 25791 16218 1 41 . 1 1 65 65 LEU H H 65 7.765 7.765 7.456 0.309 25791 16219 1 41 . 1 1 66 66 GLN N N 66 119.365 119.365 113.694 5.671 25791 16220 1 41 . 1 1 66 66 GLN HA H 66 4.275 4.275 4.113 0.162 25791 16221 1 41 . 1 1 66 66 GLN C C 66 176.120 176.120 175.130 0.990 25791 16222 1 41 . 1 1 66 66 GLN CA C 66 56.067 56.067 56.991 -0.924 25791 16223 1 41 . 1 1 66 66 GLN CB C 66 29.132 29.132 27.281 1.851 25791 16224 1 41 . 1 1 66 66 GLN H H 66 7.967 7.967 8.035 -0.068 25791 16225 1 41 . 1 1 67 67 LYS N N 67 121.521 121.521 119.069 2.452 25791 16226 1 41 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.398 -0.089 25791 16227 1 41 . 1 1 67 67 LYS C C 67 176.437 176.437 175.651 0.786 25791 16228 1 41 . 1 1 67 67 LYS CA C 67 56.389 56.389 55.404 0.985 25791 16229 1 41 . 1 1 67 67 LYS CB C 67 33.041 33.041 32.561 0.480 25791 16230 1 41 . 1 1 67 67 LYS H H 67 8.053 8.053 7.981 0.072 25791 16231 1 41 . 1 1 68 68 GLN N N 68 121.970 121.970 123.027 -1.057 25791 16232 1 41 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.041 0.298 25791 16233 1 41 . 1 1 68 68 GLN C C 68 175.120 175.120 175.707 -0.587 25791 16234 1 41 . 1 1 68 68 GLN CA C 68 56.000 56.000 56.355 -0.355 25791 16235 1 41 . 1 1 68 68 GLN CB C 68 29.498 29.498 28.323 1.175 25791 16236 1 41 . 1 1 68 68 GLN H H 68 8.314 8.314 8.652 -0.338 25791 16237 1 42 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.099 0.347 25791 16238 1 42 . 1 1 2 2 GLN C C 2 176.144 176.144 177.046 -0.902 25791 16239 1 42 . 1 1 2 2 GLN CA C 2 56.209 56.209 58.190 -1.981 25791 16240 1 42 . 1 1 2 2 GLN CB C 2 29.459 29.459 28.234 1.225 25791 16241 1 42 . 1 1 3 3 GLN N N 3 122.052 122.052 118.885 3.167 25791 16242 1 42 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.267 0.056 25791 16243 1 42 . 1 1 3 3 GLN C C 3 176.988 176.988 178.336 -1.348 25791 16244 1 42 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.222 -0.819 25791 16245 1 42 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.386 0.853 25791 16246 1 42 . 1 1 3 3 GLN H H 3 8.780 8.780 8.524 0.256 25791 16247 1 42 . 1 1 4 4 LYS N N 4 121.855 121.855 120.049 1.806 25791 16248 1 42 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.057 -0.053 25791 16249 1 42 . 1 1 4 4 LYS C C 4 177.638 177.638 178.466 -0.828 25791 16250 1 42 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.356 0.883 25791 16251 1 42 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.133 0.566 25791 16252 1 42 . 1 1 4 4 LYS H H 4 8.528 8.528 7.731 0.797 25791 16253 1 42 . 1 1 5 5 GLN N N 5 116.397 116.397 117.718 -1.321 25791 16254 1 42 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.920 0.021 25791 16255 1 42 . 1 1 5 5 GLN C C 5 178.761 178.761 178.318 0.443 25791 16256 1 42 . 1 1 5 5 GLN CA C 5 59.349 59.349 59.050 0.299 25791 16257 1 42 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.423 -0.473 25791 16258 1 42 . 1 1 5 5 GLN H H 5 8.223 8.223 7.732 0.491 25791 16259 1 42 . 1 1 6 6 GLN N N 6 119.262 119.262 118.890 0.372 25791 16260 1 42 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.141 -0.013 25791 16261 1 42 . 1 1 6 6 GLN C C 6 179.018 179.018 178.223 0.795 25791 16262 1 42 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.539 0.550 25791 16263 1 42 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.128 0.581 25791 16264 1 42 . 1 1 6 6 GLN H H 6 7.848 7.848 7.751 0.097 25791 16265 1 42 . 1 1 7 7 ILE N N 7 121.296 121.296 121.681 -0.385 25791 16266 1 42 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.861 -0.278 25791 16267 1 42 . 1 1 7 7 ILE C C 7 177.833 177.833 178.154 -0.321 25791 16268 1 42 . 1 1 7 7 ILE CA C 7 65.129 65.129 63.104 2.025 25791 16269 1 42 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.167 1.039 25791 16270 1 42 . 1 1 7 7 ILE H H 7 8.095 8.095 7.309 0.786 25791 16271 1 42 . 1 1 8 8 MET N N 8 117.603 117.603 118.689 -1.086 25791 16272 1 42 . 1 1 8 8 MET HA H 8 3.985 3.985 4.052 -0.067 25791 16273 1 42 . 1 1 8 8 MET C C 8 177.355 177.355 178.830 -1.475 25791 16274 1 42 . 1 1 8 8 MET CA C 8 59.932 59.932 59.558 0.374 25791 16275 1 42 . 1 1 8 8 MET CB C 8 32.721 32.721 32.032 0.689 25791 16276 1 42 . 1 1 8 8 MET H H 8 8.672 8.672 8.318 0.354 25791 16277 1 42 . 1 1 9 9 ALA N N 9 118.774 118.774 121.542 -2.768 25791 16278 1 42 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.060 -0.014 25791 16279 1 42 . 1 1 9 9 ALA C C 9 180.546 180.546 179.291 1.255 25791 16280 1 42 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.016 0.369 25791 16281 1 42 . 1 1 9 9 ALA CB C 9 17.898 17.898 18.020 -0.122 25791 16282 1 42 . 1 1 9 9 ALA H H 9 7.795 7.795 7.997 -0.202 25791 16283 1 42 . 1 1 10 10 ALA N N 10 120.854 120.854 121.374 -0.520 25791 16284 1 42 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.108 0.097 25791 16285 1 42 . 1 1 10 10 ALA C C 10 181.200 181.200 179.570 1.630 25791 16286 1 42 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.736 0.276 25791 16287 1 42 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.332 0.929 25791 16288 1 42 . 1 1 10 10 ALA H H 10 7.438 7.438 7.632 -0.194 25791 16289 1 42 . 1 1 11 11 LEU N N 11 120.775 120.775 118.480 2.295 25791 16290 1 42 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.772 -0.024 25791 16291 1 42 . 1 1 11 11 LEU C C 11 179.041 179.041 179.080 -0.039 25791 16292 1 42 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.772 0.574 25791 16293 1 42 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.169 -1.192 25791 16294 1 42 . 1 1 11 11 LEU H H 11 8.757 8.757 8.595 0.162 25791 16295 1 42 . 1 1 12 12 ASN N N 12 116.313 116.313 116.798 -0.485 25791 16296 1 42 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.480 0.084 25791 16297 1 42 . 1 1 12 12 ASN C C 12 178.900 178.900 176.105 2.795 25791 16298 1 42 . 1 1 12 12 ASN CA C 12 54.065 54.065 56.434 -2.369 25791 16299 1 42 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.539 -1.546 25791 16300 1 42 . 1 1 12 12 ASN H H 12 8.850 8.850 7.914 0.936 25791 16301 1 42 . 1 1 13 13 SER N N 13 114.747 114.747 114.418 0.329 25791 16302 1 42 . 1 1 13 13 SER HA H 13 4.370 4.370 4.233 0.137 25791 16303 1 42 . 1 1 13 13 SER C C 13 176.515 176.515 176.939 -0.424 25791 16304 1 42 . 1 1 13 13 SER CA C 13 61.141 61.141 61.049 0.092 25791 16305 1 42 . 1 1 13 13 SER CB C 13 63.044 63.044 63.217 -0.173 25791 16306 1 42 . 1 1 13 13 SER H H 13 7.672 7.672 7.467 0.205 25791 16307 1 42 . 1 1 14 14 GLN N N 14 119.954 119.954 118.646 1.308 25791 16308 1 42 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.153 0.065 25791 16309 1 42 . 1 1 14 14 GLN C C 14 178.208 178.208 177.099 1.109 25791 16310 1 42 . 1 1 14 14 GLN CA C 14 57.749 57.749 57.994 -0.245 25791 16311 1 42 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.665 0.035 25791 16312 1 42 . 1 1 14 14 GLN H H 14 7.573 7.573 7.836 -0.263 25791 16313 1 42 . 1 1 15 15 THR N N 15 107.493 107.493 107.541 -0.048 25791 16314 1 42 . 1 1 15 15 THR HA H 15 3.899 3.899 4.362 -0.463 25791 16315 1 42 . 1 1 15 15 THR C C 15 174.683 174.683 174.542 0.141 25791 16316 1 42 . 1 1 15 15 THR CA C 15 61.551 61.551 60.212 1.339 25791 16317 1 42 . 1 1 15 15 THR CB C 15 69.226 69.226 69.079 0.147 25791 16318 1 42 . 1 1 15 15 THR H H 15 7.741 7.741 7.397 0.344 25791 16319 1 42 . 1 1 16 16 ALA N N 16 124.034 124.034 126.195 -2.161 25791 16320 1 42 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.026 0.109 25791 16321 1 42 . 1 1 16 16 ALA C C 16 179.899 179.899 178.659 1.240 25791 16322 1 42 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.693 0.514 25791 16323 1 42 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.269 0.455 25791 16324 1 42 . 1 1 16 16 ALA H H 16 6.873 6.873 7.521 -0.648 25791 16325 1 42 . 1 1 17 17 VAL N N 17 117.150 117.150 118.013 -0.863 25791 16326 1 42 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.745 -0.031 25791 16327 1 42 . 1 1 17 17 VAL C C 17 178.537 178.537 177.440 1.097 25791 16328 1 42 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.188 1.320 25791 16329 1 42 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.742 -0.049 25791 16330 1 42 . 1 1 17 17 VAL H H 17 8.162 8.162 8.457 -0.295 25791 16331 1 42 . 1 1 18 18 GLN N N 18 119.489 119.489 119.080 0.409 25791 16332 1 42 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.083 -0.026 25791 16333 1 42 . 1 1 18 18 GLN C C 18 180.429 180.429 178.650 1.779 25791 16334 1 42 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.270 0.429 25791 16335 1 42 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.578 0.608 25791 16336 1 42 . 1 1 18 18 GLN H H 18 8.451 8.451 8.093 0.358 25791 16337 1 42 . 1 1 19 19 PHE N N 19 117.940 117.940 118.884 -0.944 25791 16338 1 42 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.480 0.350 25791 16339 1 42 . 1 1 19 19 PHE C C 19 177.858 177.858 178.253 -0.395 25791 16340 1 42 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.559 -1.530 25791 16341 1 42 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.218 -2.313 25791 16342 1 42 . 1 1 19 19 PHE H H 19 8.924 8.924 8.826 0.098 25791 16343 1 42 . 1 1 20 20 GLN N N 20 120.297 120.297 119.513 0.784 25791 16344 1 42 . 1 1 20 20 GLN HA H 20 4.106 4.106 4.002 0.104 25791 16345 1 42 . 1 1 20 20 GLN C C 20 178.986 178.986 178.726 0.260 25791 16346 1 42 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.770 -0.207 25791 16347 1 42 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.576 -0.681 25791 16348 1 42 . 1 1 20 20 GLN H H 20 8.264 8.264 8.240 0.024 25791 16349 1 42 . 1 1 21 21 GLN N N 21 118.595 118.595 119.033 -0.438 25791 16350 1 42 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.102 -0.020 25791 16351 1 42 . 1 1 21 21 GLN C C 21 178.806 178.806 178.516 0.290 25791 16352 1 42 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.806 0.364 25791 16353 1 42 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.935 -0.739 25791 16354 1 42 . 1 1 21 21 GLN H H 21 8.527 8.527 8.456 0.071 25791 16355 1 42 . 1 1 22 22 TYR N N 22 119.594 119.594 121.320 -1.726 25791 16356 1 42 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.147 0.100 25791 16357 1 42 . 1 1 22 22 TYR C C 22 177.789 177.789 176.873 0.916 25791 16358 1 42 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.650 1.062 25791 16359 1 42 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.334 0.390 25791 16360 1 42 . 1 1 22 22 TYR H H 22 7.843 7.843 7.991 -0.148 25791 16361 1 42 . 1 1 23 23 ALA N N 23 120.663 120.663 121.248 -0.585 25791 16362 1 42 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.750 0.107 25791 16363 1 42 . 1 1 23 23 ALA C C 23 179.319 179.319 178.780 0.539 25791 16364 1 42 . 1 1 23 23 ALA CA C 23 55.589 55.589 55.001 0.588 25791 16365 1 42 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.188 0.294 25791 16366 1 42 . 1 1 23 23 ALA H H 23 8.612 8.612 8.614 -0.002 25791 16367 1 42 . 1 1 24 24 ALA N N 24 119.002 119.002 120.888 -1.886 25791 16368 1 42 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.108 -0.170 25791 16369 1 42 . 1 1 24 24 ALA C C 24 178.987 178.987 178.954 0.033 25791 16370 1 42 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.378 -0.061 25791 16371 1 42 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.764 -0.873 25791 16372 1 42 . 1 1 24 24 ALA H H 24 8.168 8.168 8.065 0.103 25791 16373 1 42 . 1 1 25 25 GLN N N 25 115.599 115.599 116.343 -0.744 25791 16374 1 42 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.049 -0.045 25791 16375 1 42 . 1 1 25 25 GLN C C 25 177.818 177.818 177.870 -0.052 25791 16376 1 42 . 1 1 25 25 GLN CA C 25 57.454 57.454 57.877 -0.423 25791 16377 1 42 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.650 -0.195 25791 16378 1 42 . 1 1 25 25 GLN H H 25 7.300 7.300 7.641 -0.341 25791 16379 1 42 . 1 1 26 26 GLN N N 26 116.989 116.989 117.498 -0.509 25791 16380 1 42 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.893 -0.189 25791 16381 1 42 . 1 1 26 26 GLN C C 26 175.979 175.979 175.836 0.143 25791 16382 1 42 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.860 -0.072 25791 16383 1 42 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.721 -0.641 25791 16384 1 42 . 1 1 26 26 GLN H H 26 7.401 7.401 7.438 -0.037 25791 16385 1 42 . 1 1 27 27 TYR N N 27 114.712 114.712 117.069 -2.357 25791 16386 1 42 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.925 0.153 25791 16387 1 42 . 1 1 27 27 TYR C C 27 172.931 172.931 173.541 -0.610 25791 16388 1 42 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.911 0.256 25791 16389 1 42 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.622 1.038 25791 16390 1 42 . 1 1 27 27 TYR H H 27 7.675 7.675 8.055 -0.380 25791 16391 1 42 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.480 -0.118 25791 16392 1 42 . 1 1 28 28 PRO C C 28 179.333 179.333 177.967 1.366 25791 16393 1 42 . 1 1 28 28 PRO CA C 28 64.394 64.394 64.086 0.308 25791 16394 1 42 . 1 1 28 28 PRO CB C 28 31.254 31.254 31.897 -0.643 25791 16395 1 42 . 1 1 29 29 GLY N N 29 110.091 110.091 112.938 -2.847 25791 16396 1 42 . 1 1 29 29 GLY C C 29 173.218 173.218 174.591 -1.373 25791 16397 1 42 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.285 0.627 25791 16398 1 42 . 1 1 29 29 GLY H H 29 8.826 8.826 8.837 -0.011 25791 16399 1 42 . 1 1 30 30 ASN N N 30 118.603 118.603 122.280 -3.677 25791 16400 1 42 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.865 0.134 25791 16401 1 42 . 1 1 30 30 ASN C C 30 173.977 173.977 174.870 -0.893 25791 16402 1 42 . 1 1 30 30 ASN CA C 30 51.185 51.185 52.443 -1.258 25791 16403 1 42 . 1 1 30 30 ASN CB C 30 38.426 38.426 37.754 0.672 25791 16404 1 42 . 1 1 30 30 ASN H H 30 7.293 7.293 7.802 -0.509 25791 16405 1 42 . 1 1 31 31 TYR N N 31 125.240 125.240 126.526 -1.286 25791 16406 1 42 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.044 -0.146 25791 16407 1 42 . 1 1 31 31 TYR C C 31 177.343 177.343 176.469 0.874 25791 16408 1 42 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.773 -0.962 25791 16409 1 42 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.762 -0.405 25791 16410 1 42 . 1 1 31 31 TYR H H 31 8.509 8.509 8.015 0.494 25791 16411 1 42 . 1 1 32 32 GLU N N 32 118.993 118.993 116.553 2.440 25791 16412 1 42 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.516 0.384 25791 16413 1 42 . 1 1 32 32 GLU C C 32 179.549 179.549 178.571 0.978 25791 16414 1 42 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.307 0.805 25791 16415 1 42 . 1 1 32 32 GLU CB C 32 29.168 29.168 27.982 1.186 25791 16416 1 42 . 1 1 32 32 GLU H H 32 8.714 8.714 8.687 0.027 25791 16417 1 42 . 1 1 33 33 GLN N N 33 117.037 117.037 118.844 -1.807 25791 16418 1 42 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.860 -0.127 25791 16419 1 42 . 1 1 33 33 GLN C C 33 179.119 179.119 178.552 0.567 25791 16420 1 42 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.205 -0.503 25791 16421 1 42 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.513 0.113 25791 16422 1 42 . 1 1 33 33 GLN H H 33 7.536 7.536 8.281 -0.745 25791 16423 1 42 . 1 1 34 34 GLN N N 34 117.723 117.723 119.719 -1.996 25791 16424 1 42 . 1 1 34 34 GLN HA H 34 3.811 3.811 3.987 -0.176 25791 16425 1 42 . 1 1 34 34 GLN C C 34 177.634 177.634 178.512 -0.878 25791 16426 1 42 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.373 0.792 25791 16427 1 42 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.553 -1.052 25791 16428 1 42 . 1 1 34 34 GLN H H 34 7.968 7.968 8.263 -0.295 25791 16429 1 42 . 1 1 35 35 GLN N N 35 115.293 115.293 118.898 -3.605 25791 16430 1 42 . 1 1 35 35 GLN HA H 35 3.791 3.791 3.991 -0.200 25791 16431 1 42 . 1 1 35 35 GLN C C 35 178.757 178.757 178.597 0.160 25791 16432 1 42 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.323 0.287 25791 16433 1 42 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.140 0.065 25791 16434 1 42 . 1 1 35 35 GLN H H 35 7.870 7.870 7.889 -0.019 25791 16435 1 42 . 1 1 36 36 ILE N N 36 120.769 120.769 120.699 0.070 25791 16436 1 42 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.611 -0.047 25791 16437 1 42 . 1 1 36 36 ILE C C 36 178.273 178.273 178.016 0.257 25791 16438 1 42 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.298 -0.062 25791 16439 1 42 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.662 0.711 25791 16440 1 42 . 1 1 36 36 ILE H H 36 7.503 7.503 8.016 -0.513 25791 16441 1 42 . 1 1 37 37 LEU N N 37 121.056 121.056 121.110 -0.054 25791 16442 1 42 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.013 0.296 25791 16443 1 42 . 1 1 37 37 LEU C C 37 178.348 178.348 178.238 0.110 25791 16444 1 42 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.796 -0.062 25791 16445 1 42 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.616 -0.100 25791 16446 1 42 . 1 1 37 37 LEU H H 37 7.678 7.678 7.832 -0.154 25791 16447 1 42 . 1 1 38 38 ILE N N 38 119.334 119.334 119.699 -0.365 25791 16448 1 42 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.536 -0.195 25791 16449 1 42 . 1 1 38 38 ILE C C 38 177.371 177.371 177.972 -0.601 25791 16450 1 42 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.575 1.510 25791 16451 1 42 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.503 0.846 25791 16452 1 42 . 1 1 38 38 ILE H H 38 8.702 8.702 8.262 0.440 25791 16453 1 42 . 1 1 39 39 ARG N N 39 117.798 117.798 119.851 -2.053 25791 16454 1 42 . 1 1 39 39 ARG HA H 39 4.215 4.215 3.972 0.243 25791 16455 1 42 . 1 1 39 39 ARG C C 39 179.555 179.555 179.040 0.515 25791 16456 1 42 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.904 -0.445 25791 16457 1 42 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.737 0.015 25791 16458 1 42 . 1 1 39 39 ARG H H 39 7.739 7.739 8.274 -0.535 25791 16459 1 42 . 1 1 40 40 GLN N N 40 119.432 119.432 118.625 0.807 25791 16460 1 42 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.126 0.011 25791 16461 1 42 . 1 1 40 40 GLN C C 40 179.522 179.522 178.855 0.667 25791 16462 1 42 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.355 0.905 25791 16463 1 42 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.394 -0.036 25791 16464 1 42 . 1 1 40 40 GLN H H 40 7.811 7.811 7.800 0.011 25791 16465 1 42 . 1 1 41 41 LEU N N 41 121.592 121.592 120.561 1.031 25791 16466 1 42 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.753 -0.066 25791 16467 1 42 . 1 1 41 41 LEU C C 41 178.974 178.974 179.363 -0.389 25791 16468 1 42 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.750 0.213 25791 16469 1 42 . 1 1 41 41 LEU CB C 41 39.852 39.852 41.027 -1.175 25791 16470 1 42 . 1 1 41 41 LEU H H 41 8.648 8.648 8.492 0.156 25791 16471 1 42 . 1 1 42 42 GLN N N 42 119.054 119.054 117.967 1.087 25791 16472 1 42 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.540 0.004 25791 16473 1 42 . 1 1 42 42 GLN C C 42 180.176 180.176 178.995 1.181 25791 16474 1 42 . 1 1 42 42 GLN CA C 42 59.234 59.234 58.361 0.874 25791 16475 1 42 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.372 -0.452 25791 16476 1 42 . 1 1 42 42 GLN H H 42 8.641 8.641 8.709 -0.068 25791 16477 1 42 . 1 1 43 43 GLU N N 43 121.517 121.517 122.193 -0.676 25791 16478 1 42 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.059 0.177 25791 16479 1 42 . 1 1 43 43 GLU C C 43 179.721 179.721 178.913 0.808 25791 16480 1 42 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.942 -0.275 25791 16481 1 42 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.401 -0.144 25791 16482 1 42 . 1 1 43 43 GLU H H 43 8.111 8.111 8.178 -0.067 25791 16483 1 42 . 1 1 44 44 GLN N N 44 119.240 119.240 118.196 1.044 25791 16484 1 42 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.087 0.029 25791 16485 1 42 . 1 1 44 44 GLN C C 44 179.012 179.012 178.420 0.592 25791 16486 1 42 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.859 0.290 25791 16487 1 42 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.944 -0.090 25791 16488 1 42 . 1 1 44 44 GLN H H 44 8.372 8.372 7.859 0.513 25791 16489 1 42 . 1 1 45 45 HIS N N 45 121.705 121.705 121.058 0.647 25791 16490 1 42 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.300 -0.020 25791 16491 1 42 . 1 1 45 45 HIS C C 45 176.395 176.395 177.286 -0.891 25791 16492 1 42 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.280 1.079 25791 16493 1 42 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.598 1.727 25791 16494 1 42 . 1 1 45 45 HIS H H 45 9.472 9.472 8.449 1.023 25791 16495 1 42 . 1 1 46 46 TYR N N 46 119.039 119.039 120.334 -1.295 25791 16496 1 42 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.016 -0.167 25791 16497 1 42 . 1 1 46 46 TYR C C 46 176.664 176.664 178.015 -1.351 25791 16498 1 42 . 1 1 46 46 TYR CA C 46 62.251 62.251 62.145 0.106 25791 16499 1 42 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.471 -0.798 25791 16500 1 42 . 1 1 46 46 TYR H H 46 8.253 8.253 8.683 -0.430 25791 16501 1 42 . 1 1 47 47 GLN N N 47 116.407 116.407 117.732 -1.325 25791 16502 1 42 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.803 -0.019 25791 16503 1 42 . 1 1 47 47 GLN C C 47 179.048 179.048 178.301 0.747 25791 16504 1 42 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.239 -0.290 25791 16505 1 42 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.565 -0.384 25791 16506 1 42 . 1 1 47 47 GLN H H 47 7.814 7.814 8.396 -0.582 25791 16507 1 42 . 1 1 48 48 GLN N N 48 119.803 119.803 120.093 -0.290 25791 16508 1 42 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.088 -0.111 25791 16509 1 42 . 1 1 48 48 GLN C C 48 177.741 177.741 178.164 -0.423 25791 16510 1 42 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.415 -0.101 25791 16511 1 42 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.355 -0.027 25791 16512 1 42 . 1 1 48 48 GLN H H 48 8.645 8.645 8.389 0.256 25791 16513 1 42 . 1 1 49 49 TYR N N 49 121.342 121.342 121.469 -0.127 25791 16514 1 42 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.125 -0.485 25791 16515 1 42 . 1 1 49 49 TYR C C 49 176.021 176.021 177.554 -1.533 25791 16516 1 42 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.327 0.783 25791 16517 1 42 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.162 0.745 25791 16518 1 42 . 1 1 49 49 TYR H H 49 9.105 9.105 8.472 0.633 25791 16519 1 42 . 1 1 50 50 MET N N 50 115.522 115.522 118.520 -2.998 25791 16520 1 42 . 1 1 50 50 MET HA H 50 4.040 4.040 3.673 0.367 25791 16521 1 42 . 1 1 50 50 MET C C 50 179.841 179.841 178.322 1.519 25791 16522 1 42 . 1 1 50 50 MET CA C 50 56.623 56.623 56.534 0.089 25791 16523 1 42 . 1 1 50 50 MET CB C 50 30.099 30.099 31.649 -1.550 25791 16524 1 42 . 1 1 50 50 MET H H 50 8.060 8.060 8.343 -0.283 25791 16525 1 42 . 1 1 51 51 GLN N N 51 118.942 118.942 118.737 0.205 25791 16526 1 42 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.840 0.225 25791 16527 1 42 . 1 1 51 51 GLN C C 51 178.707 178.707 178.390 0.317 25791 16528 1 42 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.149 -0.208 25791 16529 1 42 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.467 0.022 25791 16530 1 42 . 1 1 51 51 GLN H H 51 7.830 7.830 8.424 -0.594 25791 16531 1 42 . 1 1 52 52 GLN N N 52 119.210 119.210 120.043 -0.833 25791 16532 1 42 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.258 -0.201 25791 16533 1 42 . 1 1 52 52 GLN C C 52 178.738 178.738 178.652 0.086 25791 16534 1 42 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.287 0.462 25791 16535 1 42 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.525 -0.122 25791 16536 1 42 . 1 1 52 52 GLN H H 52 8.187 8.187 8.161 0.026 25791 16537 1 42 . 1 1 53 53 LEU N N 53 121.233 121.233 121.078 0.155 25791 16538 1 42 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.883 -0.042 25791 16539 1 42 . 1 1 53 53 LEU C C 53 179.191 179.191 177.987 1.204 25791 16540 1 42 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.649 0.096 25791 16541 1 42 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.280 0.586 25791 16542 1 42 . 1 1 53 53 LEU H H 53 8.441 8.441 8.127 0.314 25791 16543 1 42 . 1 1 54 54 TYR N N 54 118.505 118.505 119.587 -1.082 25791 16544 1 42 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.898 0.420 25791 16545 1 42 . 1 1 54 54 TYR C C 54 177.535 177.535 177.523 0.012 25791 16546 1 42 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.250 -1.773 25791 16547 1 42 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.462 -0.676 25791 16548 1 42 . 1 1 54 54 TYR H H 54 7.819 7.819 8.344 -0.525 25791 16549 1 42 . 1 1 55 55 GLN N N 55 117.299 117.299 117.872 -0.573 25791 16550 1 42 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.018 -0.119 25791 16551 1 42 . 1 1 55 55 GLN C C 55 179.041 179.041 178.563 0.478 25791 16552 1 42 . 1 1 55 55 GLN CA C 55 58.709 58.709 59.026 -0.317 25791 16553 1 42 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.635 -0.420 25791 16554 1 42 . 1 1 55 55 GLN H H 55 7.735 7.735 7.833 -0.098 25791 16555 1 42 . 1 1 56 56 VAL N N 56 120.879 120.879 119.854 1.025 25791 16556 1 42 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.677 0.115 25791 16557 1 42 . 1 1 56 56 VAL C C 56 178.262 178.262 178.062 0.200 25791 16558 1 42 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.305 -0.363 25791 16559 1 42 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.420 0.459 25791 16560 1 42 . 1 1 56 56 VAL H H 56 8.014 8.014 7.637 0.377 25791 16561 1 42 . 1 1 57 57 GLN N N 57 120.513 120.513 119.434 1.079 25791 16562 1 42 . 1 1 57 57 GLN HA H 57 4.060 4.060 4.044 0.016 25791 16563 1 42 . 1 1 57 57 GLN C C 57 178.772 178.772 178.275 0.497 25791 16564 1 42 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.120 0.496 25791 16565 1 42 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.742 0.243 25791 16566 1 42 . 1 1 57 57 GLN H H 57 8.103 8.103 8.069 0.034 25791 16567 1 42 . 1 1 58 58 LEU N N 58 121.244 121.244 121.518 -0.274 25791 16568 1 42 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.910 0.095 25791 16569 1 42 . 1 1 58 58 LEU C C 58 179.134 179.134 178.202 0.932 25791 16570 1 42 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.280 0.226 25791 16571 1 42 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.229 0.574 25791 16572 1 42 . 1 1 58 58 LEU H H 58 8.176 8.176 8.069 0.107 25791 16573 1 42 . 1 1 59 59 ALA N N 59 121.608 121.608 120.956 0.652 25791 16574 1 42 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.876 0.289 25791 16575 1 42 . 1 1 59 59 ALA C C 59 180.497 180.497 179.954 0.543 25791 16576 1 42 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.236 -0.654 25791 16577 1 42 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.102 -0.049 25791 16578 1 42 . 1 1 59 59 ALA H H 59 7.833 7.833 7.958 -0.125 25791 16579 1 42 . 1 1 60 60 GLN N N 60 118.335 118.335 117.338 0.997 25791 16580 1 42 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.973 0.175 25791 16581 1 42 . 1 1 60 60 GLN C C 60 178.334 178.334 178.413 -0.079 25791 16582 1 42 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.666 -0.689 25791 16583 1 42 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.628 -0.193 25791 16584 1 42 . 1 1 60 60 GLN H H 60 8.081 8.081 7.771 0.310 25791 16585 1 42 . 1 1 61 61 GLN N N 61 120.206 120.206 120.100 0.106 25791 16586 1 42 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.970 0.192 25791 16587 1 42 . 1 1 61 61 GLN C C 61 178.002 178.002 178.451 -0.449 25791 16588 1 42 . 1 1 61 61 GLN CA C 61 57.905 57.905 59.073 -1.168 25791 16589 1 42 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.540 0.039 25791 16590 1 42 . 1 1 61 61 GLN H H 61 8.111 8.111 7.941 0.170 25791 16591 1 42 . 1 1 62 62 GLN N N 62 118.980 118.980 117.931 1.049 25791 16592 1 42 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.071 0.058 25791 16593 1 42 . 1 1 62 62 GLN C C 62 177.624 177.624 178.258 -0.634 25791 16594 1 42 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.480 -0.843 25791 16595 1 42 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.481 0.155 25791 16596 1 42 . 1 1 62 62 GLN H H 62 8.203 8.203 8.532 -0.329 25791 16597 1 42 . 1 1 63 63 ALA N N 63 122.712 122.712 121.632 1.080 25791 16598 1 42 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.107 0.099 25791 16599 1 42 . 1 1 63 63 ALA C C 63 178.922 178.922 178.737 0.185 25791 16600 1 42 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.218 -0.322 25791 16601 1 42 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.358 0.101 25791 16602 1 42 . 1 1 63 63 ALA H H 63 8.004 8.004 7.973 0.031 25791 16603 1 42 . 1 1 64 64 ALA N N 64 120.813 120.813 120.325 0.488 25791 16604 1 42 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.162 0.070 25791 16605 1 42 . 1 1 64 64 ALA C C 64 178.732 178.732 178.516 0.216 25791 16606 1 42 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.132 -0.616 25791 16607 1 42 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.218 -0.589 25791 16608 1 42 . 1 1 64 64 ALA H H 64 7.837 7.837 7.642 0.195 25791 16609 1 42 . 1 1 65 65 LEU N N 65 119.196 119.196 117.697 1.499 25791 16610 1 42 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.449 -0.192 25791 16611 1 42 . 1 1 65 65 LEU C C 65 178.038 178.038 177.719 0.319 25791 16612 1 42 . 1 1 65 65 LEU CA C 65 55.822 55.822 55.581 0.241 25791 16613 1 42 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.419 -0.155 25791 16614 1 42 . 1 1 65 65 LEU H H 65 7.765 7.765 7.456 0.309 25791 16615 1 42 . 1 1 66 66 GLN N N 66 119.365 119.365 113.706 5.659 25791 16616 1 42 . 1 1 66 66 GLN HA H 66 4.275 4.275 4.114 0.162 25791 16617 1 42 . 1 1 66 66 GLN C C 66 176.120 176.120 175.131 0.989 25791 16618 1 42 . 1 1 66 66 GLN CA C 66 56.067 56.067 56.992 -0.925 25791 16619 1 42 . 1 1 66 66 GLN CB C 66 29.132 29.132 27.279 1.853 25791 16620 1 42 . 1 1 66 66 GLN H H 66 7.967 7.967 8.035 -0.068 25791 16621 1 42 . 1 1 67 67 LYS N N 67 121.521 121.521 119.069 2.452 25791 16622 1 42 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.398 -0.089 25791 16623 1 42 . 1 1 67 67 LYS C C 67 176.437 176.437 175.650 0.787 25791 16624 1 42 . 1 1 67 67 LYS CA C 67 56.389 56.389 55.405 0.984 25791 16625 1 42 . 1 1 67 67 LYS CB C 67 33.041 33.041 32.561 0.480 25791 16626 1 42 . 1 1 67 67 LYS H H 67 8.053 8.053 7.982 0.071 25791 16627 1 42 . 1 1 68 68 GLN N N 68 121.970 121.970 123.024 -1.054 25791 16628 1 42 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.042 0.297 25791 16629 1 42 . 1 1 68 68 GLN C C 68 175.120 175.120 175.708 -0.588 25791 16630 1 42 . 1 1 68 68 GLN CA C 68 56.000 56.000 56.354 -0.354 25791 16631 1 42 . 1 1 68 68 GLN CB C 68 29.498 29.498 28.321 1.177 25791 16632 1 42 . 1 1 68 68 GLN H H 68 8.314 8.314 8.653 -0.339 25791 16633 1 43 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.427 0.020 25791 16634 1 43 . 1 1 2 2 GLN C C 2 176.144 176.144 176.478 -0.334 25791 16635 1 43 . 1 1 2 2 GLN CA C 2 56.209 56.209 56.115 0.094 25791 16636 1 43 . 1 1 2 2 GLN CB C 2 29.459 29.459 29.131 0.327 25791 16637 1 43 . 1 1 3 3 GLN N N 3 122.052 122.052 121.444 0.608 25791 16638 1 43 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.252 0.071 25791 16639 1 43 . 1 1 3 3 GLN C C 3 176.988 176.988 178.298 -1.310 25791 16640 1 43 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.855 -1.452 25791 16641 1 43 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.015 1.224 25791 16642 1 43 . 1 1 3 3 GLN H H 3 8.780 8.780 8.699 0.081 25791 16643 1 43 . 1 1 4 4 LYS N N 4 121.855 121.855 118.770 3.085 25791 16644 1 43 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.045 -0.041 25791 16645 1 43 . 1 1 4 4 LYS C C 4 177.638 177.638 178.319 -0.681 25791 16646 1 43 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.465 0.774 25791 16647 1 43 . 1 1 4 4 LYS CB C 4 32.699 32.699 31.910 0.789 25791 16648 1 43 . 1 1 4 4 LYS H H 4 8.528 8.528 8.524 0.004 25791 16649 1 43 . 1 1 5 5 GLN N N 5 116.397 116.397 117.605 -1.208 25791 16650 1 43 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.994 -0.053 25791 16651 1 43 . 1 1 5 5 GLN C C 5 178.761 178.761 178.338 0.423 25791 16652 1 43 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.746 0.603 25791 16653 1 43 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.057 -0.107 25791 16654 1 43 . 1 1 5 5 GLN H H 5 8.223 8.223 7.770 0.453 25791 16655 1 43 . 1 1 6 6 GLN N N 6 119.262 119.262 118.821 0.441 25791 16656 1 43 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.151 -0.023 25791 16657 1 43 . 1 1 6 6 GLN C C 6 179.018 179.018 178.330 0.688 25791 16658 1 43 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.503 0.586 25791 16659 1 43 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.048 0.662 25791 16660 1 43 . 1 1 6 6 GLN H H 6 7.848 7.848 7.710 0.138 25791 16661 1 43 . 1 1 7 7 ILE N N 7 121.296 121.296 122.263 -0.967 25791 16662 1 43 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.856 -0.273 25791 16663 1 43 . 1 1 7 7 ILE C C 7 177.833 177.833 178.216 -0.383 25791 16664 1 43 . 1 1 7 7 ILE CA C 7 65.129 65.129 63.673 1.456 25791 16665 1 43 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.201 1.005 25791 16666 1 43 . 1 1 7 7 ILE H H 7 8.095 8.095 7.440 0.655 25791 16667 1 43 . 1 1 8 8 MET N N 8 117.603 117.603 118.519 -0.916 25791 16668 1 43 . 1 1 8 8 MET HA H 8 3.985 3.985 4.056 -0.071 25791 16669 1 43 . 1 1 8 8 MET C C 8 177.355 177.355 178.896 -1.541 25791 16670 1 43 . 1 1 8 8 MET CA C 8 59.932 59.932 59.446 0.486 25791 16671 1 43 . 1 1 8 8 MET CB C 8 32.721 32.721 31.806 0.915 25791 16672 1 43 . 1 1 8 8 MET H H 8 8.672 8.672 8.353 0.319 25791 16673 1 43 . 1 1 9 9 ALA N N 9 118.774 118.774 121.947 -3.173 25791 16674 1 43 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.041 0.005 25791 16675 1 43 . 1 1 9 9 ALA C C 9 180.546 180.546 179.290 1.256 25791 16676 1 43 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.223 0.162 25791 16677 1 43 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.923 -0.025 25791 16678 1 43 . 1 1 9 9 ALA H H 9 7.795 7.795 8.016 -0.221 25791 16679 1 43 . 1 1 10 10 ALA N N 10 120.854 120.854 121.506 -0.652 25791 16680 1 43 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.054 0.151 25791 16681 1 43 . 1 1 10 10 ALA C C 10 181.200 181.200 179.536 1.664 25791 16682 1 43 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.645 0.367 25791 16683 1 43 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.504 0.757 25791 16684 1 43 . 1 1 10 10 ALA H H 10 7.438 7.438 7.562 -0.124 25791 16685 1 43 . 1 1 11 11 LEU N N 11 120.775 120.775 118.745 2.030 25791 16686 1 43 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.781 -0.033 25791 16687 1 43 . 1 1 11 11 LEU C C 11 179.041 179.041 179.333 -0.292 25791 16688 1 43 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.895 0.452 25791 16689 1 43 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.188 -1.210 25791 16690 1 43 . 1 1 11 11 LEU H H 11 8.757 8.757 8.532 0.225 25791 16691 1 43 . 1 1 12 12 ASN N N 12 116.313 116.313 118.245 -1.932 25791 16692 1 43 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.443 0.121 25791 16693 1 43 . 1 1 12 12 ASN C C 12 178.900 178.900 177.661 1.239 25791 16694 1 43 . 1 1 12 12 ASN CA C 12 54.065 54.065 56.561 -2.496 25791 16695 1 43 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.523 -1.530 25791 16696 1 43 . 1 1 12 12 ASN H H 12 8.850 8.850 8.443 0.407 25791 16697 1 43 . 1 1 13 13 SER N N 13 114.747 114.747 115.035 -0.288 25791 16698 1 43 . 1 1 13 13 SER HA H 13 4.370 4.370 4.234 0.136 25791 16699 1 43 . 1 1 13 13 SER C C 13 176.515 176.515 176.362 0.153 25791 16700 1 43 . 1 1 13 13 SER CA C 13 61.141 61.141 61.573 -0.432 25791 16701 1 43 . 1 1 13 13 SER CB C 13 63.044 63.044 63.297 -0.253 25791 16702 1 43 . 1 1 13 13 SER H H 13 7.672 7.672 7.724 -0.052 25791 16703 1 43 . 1 1 14 14 GLN N N 14 119.954 119.954 118.420 1.534 25791 16704 1 43 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.327 -0.109 25791 16705 1 43 . 1 1 14 14 GLN C C 14 178.208 178.208 177.076 1.132 25791 16706 1 43 . 1 1 14 14 GLN CA C 14 57.749 57.749 57.686 0.063 25791 16707 1 43 . 1 1 14 14 GLN CB C 14 28.700 28.700 29.076 -0.376 25791 16708 1 43 . 1 1 14 14 GLN H H 14 7.573 7.573 7.741 -0.168 25791 16709 1 43 . 1 1 15 15 THR N N 15 107.493 107.493 108.340 -0.847 25791 16710 1 43 . 1 1 15 15 THR HA H 15 3.899 3.899 4.377 -0.478 25791 16711 1 43 . 1 1 15 15 THR C C 15 174.683 174.683 174.858 -0.175 25791 16712 1 43 . 1 1 15 15 THR CA C 15 61.551 61.551 60.786 0.765 25791 16713 1 43 . 1 1 15 15 THR CB C 15 69.226 69.226 69.357 -0.131 25791 16714 1 43 . 1 1 15 15 THR H H 15 7.741 7.741 7.519 0.222 25791 16715 1 43 . 1 1 16 16 ALA N N 16 124.034 124.034 126.263 -2.229 25791 16716 1 43 . 1 1 16 16 ALA HA H 16 4.135 4.135 3.985 0.150 25791 16717 1 43 . 1 1 16 16 ALA C C 16 179.899 179.899 178.406 1.493 25791 16718 1 43 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.721 0.486 25791 16719 1 43 . 1 1 16 16 ALA CB C 16 18.724 18.724 17.990 0.734 25791 16720 1 43 . 1 1 16 16 ALA H H 16 6.873 6.873 7.602 -0.729 25791 16721 1 43 . 1 1 17 17 VAL N N 17 117.150 117.150 117.926 -0.776 25791 16722 1 43 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.722 -0.008 25791 16723 1 43 . 1 1 17 17 VAL C C 17 178.537 178.537 177.417 1.120 25791 16724 1 43 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.143 1.365 25791 16725 1 43 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.707 -0.014 25791 16726 1 43 . 1 1 17 17 VAL H H 17 8.162 8.162 8.381 -0.219 25791 16727 1 43 . 1 1 18 18 GLN N N 18 119.489 119.489 118.890 0.599 25791 16728 1 43 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.047 0.010 25791 16729 1 43 . 1 1 18 18 GLN C C 18 180.429 180.429 178.853 1.576 25791 16730 1 43 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.160 0.540 25791 16731 1 43 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.387 0.799 25791 16732 1 43 . 1 1 18 18 GLN H H 18 8.451 8.451 8.058 0.393 25791 16733 1 43 . 1 1 19 19 PHE N N 19 117.940 117.940 119.206 -1.266 25791 16734 1 43 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.586 0.244 25791 16735 1 43 . 1 1 19 19 PHE C C 19 177.858 177.858 177.991 -0.133 25791 16736 1 43 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.038 -1.009 25791 16737 1 43 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.453 -2.548 25791 16738 1 43 . 1 1 19 19 PHE H H 19 8.924 8.924 8.526 0.398 25791 16739 1 43 . 1 1 20 20 GLN N N 20 120.297 120.297 119.650 0.647 25791 16740 1 43 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.947 0.159 25791 16741 1 43 . 1 1 20 20 GLN C C 20 178.986 178.986 178.663 0.323 25791 16742 1 43 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.739 -0.176 25791 16743 1 43 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.520 -0.625 25791 16744 1 43 . 1 1 20 20 GLN H H 20 8.264 8.264 8.146 0.118 25791 16745 1 43 . 1 1 21 21 GLN N N 21 118.595 118.595 118.541 0.054 25791 16746 1 43 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.094 -0.012 25791 16747 1 43 . 1 1 21 21 GLN C C 21 178.806 178.806 178.370 0.436 25791 16748 1 43 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.885 0.285 25791 16749 1 43 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.446 -0.250 25791 16750 1 43 . 1 1 21 21 GLN H H 21 8.527 8.527 8.563 -0.036 25791 16751 1 43 . 1 1 22 22 TYR N N 22 119.594 119.594 121.783 -2.189 25791 16752 1 43 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.233 0.014 25791 16753 1 43 . 1 1 22 22 TYR C C 22 177.789 177.789 177.466 0.323 25791 16754 1 43 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.584 1.128 25791 16755 1 43 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.191 0.533 25791 16756 1 43 . 1 1 22 22 TYR H H 22 7.843 7.843 7.702 0.141 25791 16757 1 43 . 1 1 23 23 ALA N N 23 120.663 120.663 121.160 -0.497 25791 16758 1 43 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.718 0.139 25791 16759 1 43 . 1 1 23 23 ALA C C 23 179.319 179.319 178.736 0.583 25791 16760 1 43 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.961 0.628 25791 16761 1 43 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.182 0.300 25791 16762 1 43 . 1 1 23 23 ALA H H 23 8.612 8.612 8.739 -0.127 25791 16763 1 43 . 1 1 24 24 ALA N N 24 119.002 119.002 120.977 -1.975 25791 16764 1 43 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.053 -0.115 25791 16765 1 43 . 1 1 24 24 ALA C C 24 178.987 178.987 179.375 -0.388 25791 16766 1 43 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.371 -0.054 25791 16767 1 43 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.432 -0.541 25791 16768 1 43 . 1 1 24 24 ALA H H 24 8.168 8.168 8.167 0.001 25791 16769 1 43 . 1 1 25 25 GLN N N 25 115.599 115.599 117.197 -1.598 25791 16770 1 43 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.007 -0.003 25791 16771 1 43 . 1 1 25 25 GLN C C 25 177.818 177.818 178.505 -0.687 25791 16772 1 43 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.132 -0.678 25791 16773 1 43 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.884 -0.429 25791 16774 1 43 . 1 1 25 25 GLN H H 25 7.300 7.300 7.737 -0.437 25791 16775 1 43 . 1 1 26 26 GLN N N 26 116.989 116.989 116.621 0.368 25791 16776 1 43 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.810 -0.106 25791 16777 1 43 . 1 1 26 26 GLN C C 26 175.979 175.979 176.054 -0.075 25791 16778 1 43 . 1 1 26 26 GLN CA C 26 56.788 56.788 57.130 -0.342 25791 16779 1 43 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.197 -0.117 25791 16780 1 43 . 1 1 26 26 GLN H H 26 7.401 7.401 7.665 -0.264 25791 16781 1 43 . 1 1 27 27 TYR N N 27 114.712 114.712 117.261 -2.549 25791 16782 1 43 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.874 0.204 25791 16783 1 43 . 1 1 27 27 TYR C C 27 172.931 172.931 173.642 -0.711 25791 16784 1 43 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.540 0.627 25791 16785 1 43 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.472 1.188 25791 16786 1 43 . 1 1 27 27 TYR H H 27 7.675 7.675 8.026 -0.351 25791 16787 1 43 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.363 -0.001 25791 16788 1 43 . 1 1 28 28 PRO C C 28 179.333 179.333 177.880 1.453 25791 16789 1 43 . 1 1 28 28 PRO CA C 28 64.394 64.394 64.210 0.184 25791 16790 1 43 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.429 -1.175 25791 16791 1 43 . 1 1 29 29 GLY N N 29 110.091 110.091 112.310 -2.219 25791 16792 1 43 . 1 1 29 29 GLY C C 29 173.218 173.218 174.721 -1.503 25791 16793 1 43 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.341 0.571 25791 16794 1 43 . 1 1 29 29 GLY H H 29 8.826 8.826 8.753 0.073 25791 16795 1 43 . 1 1 30 30 ASN N N 30 118.603 118.603 122.854 -4.251 25791 16796 1 43 . 1 1 30 30 ASN HA H 30 4.999 4.999 5.009 -0.010 25791 16797 1 43 . 1 1 30 30 ASN C C 30 173.977 173.977 175.292 -1.315 25791 16798 1 43 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.410 -0.225 25791 16799 1 43 . 1 1 30 30 ASN CB C 30 38.426 38.426 37.454 0.972 25791 16800 1 43 . 1 1 30 30 ASN H H 30 7.293 7.293 7.781 -0.488 25791 16801 1 43 . 1 1 31 31 TYR N N 31 125.240 125.240 122.352 2.888 25791 16802 1 43 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.086 -0.188 25791 16803 1 43 . 1 1 31 31 TYR C C 31 177.343 177.343 176.948 0.395 25791 16804 1 43 . 1 1 31 31 TYR CA C 31 61.811 61.811 61.543 0.268 25791 16805 1 43 . 1 1 31 31 TYR CB C 31 38.357 38.357 37.432 0.925 25791 16806 1 43 . 1 1 31 31 TYR H H 31 8.509 8.509 7.898 0.611 25791 16807 1 43 . 1 1 32 32 GLU N N 32 118.993 118.993 118.527 0.466 25791 16808 1 43 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.595 0.305 25791 16809 1 43 . 1 1 32 32 GLU C C 32 179.549 179.549 178.807 0.742 25791 16810 1 43 . 1 1 32 32 GLU CA C 32 60.112 60.112 58.843 1.269 25791 16811 1 43 . 1 1 32 32 GLU CB C 32 29.168 29.168 27.719 1.449 25791 16812 1 43 . 1 1 32 32 GLU H H 32 8.714 8.714 7.569 1.145 25791 16813 1 43 . 1 1 33 33 GLN N N 33 117.037 117.037 118.912 -1.875 25791 16814 1 43 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.855 -0.122 25791 16815 1 43 . 1 1 33 33 GLN C C 33 179.119 179.119 178.644 0.475 25791 16816 1 43 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.026 -0.324 25791 16817 1 43 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.611 0.015 25791 16818 1 43 . 1 1 33 33 GLN H H 33 7.536 7.536 7.562 -0.026 25791 16819 1 43 . 1 1 34 34 GLN N N 34 117.723 117.723 119.707 -1.984 25791 16820 1 43 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.009 -0.198 25791 16821 1 43 . 1 1 34 34 GLN C C 34 177.634 177.634 178.528 -0.894 25791 16822 1 43 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.766 0.400 25791 16823 1 43 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.671 -1.170 25791 16824 1 43 . 1 1 34 34 GLN H H 34 7.968 7.968 8.128 -0.160 25791 16825 1 43 . 1 1 35 35 GLN N N 35 115.293 115.293 118.859 -3.566 25791 16826 1 43 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.134 -0.343 25791 16827 1 43 . 1 1 35 35 GLN C C 35 178.757 178.757 178.629 0.128 25791 16828 1 43 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.035 0.575 25791 16829 1 43 . 1 1 35 35 GLN CB C 35 28.205 28.205 27.993 0.212 25791 16830 1 43 . 1 1 35 35 GLN H H 35 7.870 7.870 8.297 -0.427 25791 16831 1 43 . 1 1 36 36 ILE N N 36 120.769 120.769 120.547 0.222 25791 16832 1 43 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.643 -0.079 25791 16833 1 43 . 1 1 36 36 ILE C C 36 178.273 178.273 178.311 -0.038 25791 16834 1 43 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.127 0.109 25791 16835 1 43 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.570 0.803 25791 16836 1 43 . 1 1 36 36 ILE H H 36 7.503 7.503 7.728 -0.225 25791 16837 1 43 . 1 1 37 37 LEU N N 37 121.056 121.056 121.393 -0.337 25791 16838 1 43 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.075 0.234 25791 16839 1 43 . 1 1 37 37 LEU C C 37 178.348 178.348 178.160 0.188 25791 16840 1 43 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.867 -0.133 25791 16841 1 43 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.736 -0.221 25791 16842 1 43 . 1 1 37 37 LEU H H 37 7.678 7.678 7.866 -0.188 25791 16843 1 43 . 1 1 38 38 ILE N N 38 119.334 119.334 119.926 -0.592 25791 16844 1 43 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.520 -0.179 25791 16845 1 43 . 1 1 38 38 ILE C C 38 177.371 177.371 178.033 -0.662 25791 16846 1 43 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.801 1.284 25791 16847 1 43 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.508 0.841 25791 16848 1 43 . 1 1 38 38 ILE H H 38 8.702 8.702 8.413 0.289 25791 16849 1 43 . 1 1 39 39 ARG N N 39 117.798 117.798 119.172 -1.374 25791 16850 1 43 . 1 1 39 39 ARG HA H 39 4.215 4.215 3.857 0.358 25791 16851 1 43 . 1 1 39 39 ARG C C 39 179.555 179.555 179.007 0.548 25791 16852 1 43 . 1 1 39 39 ARG CA C 39 59.459 59.459 60.357 -0.898 25791 16853 1 43 . 1 1 39 39 ARG CB C 39 29.752 29.752 30.010 -0.258 25791 16854 1 43 . 1 1 39 39 ARG H H 39 7.739 7.739 8.562 -0.823 25791 16855 1 43 . 1 1 40 40 GLN N N 40 119.432 119.432 118.925 0.507 25791 16856 1 43 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.045 0.092 25791 16857 1 43 . 1 1 40 40 GLN C C 40 179.522 179.522 178.646 0.876 25791 16858 1 43 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.995 0.265 25791 16859 1 43 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.788 -0.430 25791 16860 1 43 . 1 1 40 40 GLN H H 40 7.811 7.811 7.573 0.238 25791 16861 1 43 . 1 1 41 41 LEU N N 41 121.592 121.592 120.479 1.113 25791 16862 1 43 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.689 -0.002 25791 16863 1 43 . 1 1 41 41 LEU C C 41 178.974 178.974 179.258 -0.284 25791 16864 1 43 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.712 0.251 25791 16865 1 43 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.884 -1.032 25791 16866 1 43 . 1 1 41 41 LEU H H 41 8.648 8.648 8.600 0.048 25791 16867 1 43 . 1 1 42 42 GLN N N 42 119.054 119.054 117.493 1.561 25791 16868 1 43 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.474 0.070 25791 16869 1 43 . 1 1 42 42 GLN C C 42 180.176 180.176 179.053 1.123 25791 16870 1 43 . 1 1 42 42 GLN CA C 42 59.234 59.234 58.443 0.791 25791 16871 1 43 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.170 -0.250 25791 16872 1 43 . 1 1 42 42 GLN H H 42 8.641 8.641 8.698 -0.057 25791 16873 1 43 . 1 1 43 43 GLU N N 43 121.517 121.517 122.169 -0.652 25791 16874 1 43 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.087 0.149 25791 16875 1 43 . 1 1 43 43 GLU C C 43 179.721 179.721 178.943 0.778 25791 16876 1 43 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.898 -0.230 25791 16877 1 43 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.410 -0.152 25791 16878 1 43 . 1 1 43 43 GLU H H 43 8.111 8.111 7.885 0.226 25791 16879 1 43 . 1 1 44 44 GLN N N 44 119.240 119.240 118.144 1.096 25791 16880 1 43 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.087 0.029 25791 16881 1 43 . 1 1 44 44 GLN C C 44 179.012 179.012 178.419 0.593 25791 16882 1 43 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.977 0.172 25791 16883 1 43 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.847 0.007 25791 16884 1 43 . 1 1 44 44 GLN H H 44 8.372 8.372 8.060 0.312 25791 16885 1 43 . 1 1 45 45 HIS N N 45 121.705 121.705 121.299 0.406 25791 16886 1 43 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.295 -0.015 25791 16887 1 43 . 1 1 45 45 HIS C C 45 176.395 176.395 177.144 -0.749 25791 16888 1 43 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.309 1.050 25791 16889 1 43 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.601 1.724 25791 16890 1 43 . 1 1 45 45 HIS H H 45 9.472 9.472 8.596 0.876 25791 16891 1 43 . 1 1 46 46 TYR N N 46 119.039 119.039 120.585 -1.546 25791 16892 1 43 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.065 -0.216 25791 16893 1 43 . 1 1 46 46 TYR C C 46 176.664 176.664 178.174 -1.510 25791 16894 1 43 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.779 0.472 25791 16895 1 43 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.436 -0.764 25791 16896 1 43 . 1 1 46 46 TYR H H 46 8.253 8.253 8.604 -0.351 25791 16897 1 43 . 1 1 47 47 GLN N N 47 116.407 116.407 117.603 -1.196 25791 16898 1 43 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.826 -0.042 25791 16899 1 43 . 1 1 47 47 GLN C C 47 179.048 179.048 178.650 0.398 25791 16900 1 43 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.176 -0.227 25791 16901 1 43 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.166 0.015 25791 16902 1 43 . 1 1 47 47 GLN H H 47 7.814 7.814 8.661 -0.847 25791 16903 1 43 . 1 1 48 48 GLN N N 48 119.803 119.803 120.230 -0.427 25791 16904 1 43 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.079 -0.102 25791 16905 1 43 . 1 1 48 48 GLN C C 48 177.741 177.741 178.215 -0.474 25791 16906 1 43 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.474 -0.160 25791 16907 1 43 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.444 -0.116 25791 16908 1 43 . 1 1 48 48 GLN H H 48 8.645 8.645 8.659 -0.014 25791 16909 1 43 . 1 1 49 49 TYR N N 49 121.342 121.342 121.475 -0.133 25791 16910 1 43 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.127 -0.487 25791 16911 1 43 . 1 1 49 49 TYR C C 49 176.021 176.021 177.599 -1.578 25791 16912 1 43 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.310 0.799 25791 16913 1 43 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.147 0.760 25791 16914 1 43 . 1 1 49 49 TYR H H 49 9.105 9.105 8.721 0.384 25791 16915 1 43 . 1 1 50 50 MET N N 50 115.522 115.522 118.091 -2.569 25791 16916 1 43 . 1 1 50 50 MET HA H 50 4.040 4.040 3.379 0.661 25791 16917 1 43 . 1 1 50 50 MET C C 50 179.841 179.841 178.053 1.788 25791 16918 1 43 . 1 1 50 50 MET CA C 50 56.623 56.623 58.516 -1.893 25791 16919 1 43 . 1 1 50 50 MET CB C 50 30.099 30.099 31.960 -1.861 25791 16920 1 43 . 1 1 50 50 MET H H 50 8.060 8.060 8.205 -0.145 25791 16921 1 43 . 1 1 51 51 GLN N N 51 118.942 118.942 118.563 0.379 25791 16922 1 43 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.888 0.177 25791 16923 1 43 . 1 1 51 51 GLN C C 51 178.707 178.707 178.275 0.432 25791 16924 1 43 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.034 -0.093 25791 16925 1 43 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.263 0.226 25791 16926 1 43 . 1 1 51 51 GLN H H 51 7.830 7.830 7.726 0.104 25791 16927 1 43 . 1 1 52 52 GLN N N 52 119.210 119.210 120.144 -0.934 25791 16928 1 43 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.095 -0.038 25791 16929 1 43 . 1 1 52 52 GLN C C 52 178.738 178.738 178.580 0.158 25791 16930 1 43 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.370 0.379 25791 16931 1 43 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.461 -0.058 25791 16932 1 43 . 1 1 52 52 GLN H H 52 8.187 8.187 8.166 0.021 25791 16933 1 43 . 1 1 53 53 LEU N N 53 121.233 121.233 121.482 -0.249 25791 16934 1 43 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.886 -0.045 25791 16935 1 43 . 1 1 53 53 LEU C C 53 179.191 179.191 177.993 1.198 25791 16936 1 43 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.924 -0.179 25791 16937 1 43 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.314 0.552 25791 16938 1 43 . 1 1 53 53 LEU H H 53 8.441 8.441 8.220 0.221 25791 16939 1 43 . 1 1 54 54 TYR N N 54 118.505 118.505 119.326 -0.821 25791 16940 1 43 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.877 0.441 25791 16941 1 43 . 1 1 54 54 TYR C C 54 177.535 177.535 177.638 -0.103 25791 16942 1 43 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.124 -1.647 25791 16943 1 43 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.268 -0.482 25791 16944 1 43 . 1 1 54 54 TYR H H 54 7.819 7.819 8.199 -0.380 25791 16945 1 43 . 1 1 55 55 GLN N N 55 117.299 117.299 117.700 -0.401 25791 16946 1 43 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.015 -0.116 25791 16947 1 43 . 1 1 55 55 GLN C C 55 179.041 179.041 178.527 0.514 25791 16948 1 43 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.824 -0.115 25791 16949 1 43 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.792 -0.577 25791 16950 1 43 . 1 1 55 55 GLN H H 55 7.735 7.735 7.848 -0.113 25791 16951 1 43 . 1 1 56 56 VAL N N 56 120.879 120.879 120.150 0.729 25791 16952 1 43 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.659 0.133 25791 16953 1 43 . 1 1 56 56 VAL C C 56 178.262 178.262 177.891 0.371 25791 16954 1 43 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.476 -0.534 25791 16955 1 43 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.299 0.580 25791 16956 1 43 . 1 1 56 56 VAL H H 56 8.014 8.014 7.874 0.140 25791 16957 1 43 . 1 1 57 57 GLN N N 57 120.513 120.513 119.092 1.421 25791 16958 1 43 . 1 1 57 57 GLN HA H 57 4.060 4.060 3.982 0.078 25791 16959 1 43 . 1 1 57 57 GLN C C 57 178.772 178.772 178.122 0.650 25791 16960 1 43 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.481 0.135 25791 16961 1 43 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.892 0.093 25791 16962 1 43 . 1 1 57 57 GLN H H 57 8.103 8.103 8.520 -0.417 25791 16963 1 43 . 1 1 58 58 LEU N N 58 121.244 121.244 121.272 -0.028 25791 16964 1 43 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.878 0.127 25791 16965 1 43 . 1 1 58 58 LEU C C 58 179.134 179.134 178.159 0.975 25791 16966 1 43 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.145 0.361 25791 16967 1 43 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.163 0.640 25791 16968 1 43 . 1 1 58 58 LEU H H 58 8.176 8.176 7.854 0.322 25791 16969 1 43 . 1 1 59 59 ALA N N 59 121.608 121.608 121.314 0.294 25791 16970 1 43 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.923 0.242 25791 16971 1 43 . 1 1 59 59 ALA C C 59 180.497 180.497 179.860 0.637 25791 16972 1 43 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.277 -0.695 25791 16973 1 43 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.079 -0.026 25791 16974 1 43 . 1 1 59 59 ALA H H 59 7.833 7.833 7.976 -0.143 25791 16975 1 43 . 1 1 60 60 GLN N N 60 118.335 118.335 117.722 0.613 25791 16976 1 43 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.979 0.169 25791 16977 1 43 . 1 1 60 60 GLN C C 60 178.334 178.334 178.850 -0.516 25791 16978 1 43 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.344 -0.367 25791 16979 1 43 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.241 0.193 25791 16980 1 43 . 1 1 60 60 GLN H H 60 8.081 8.081 7.797 0.284 25791 16981 1 43 . 1 1 61 61 GLN N N 61 120.206 120.206 119.594 0.612 25791 16982 1 43 . 1 1 61 61 GLN HA H 61 4.162 4.162 4.020 0.142 25791 16983 1 43 . 1 1 61 61 GLN C C 61 178.002 178.002 178.637 -0.635 25791 16984 1 43 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.544 -0.639 25791 16985 1 43 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.341 0.238 25791 16986 1 43 . 1 1 61 61 GLN H H 61 8.111 8.111 7.901 0.210 25791 16987 1 43 . 1 1 62 62 GLN N N 62 118.980 118.980 118.766 0.214 25791 16988 1 43 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.014 0.115 25791 16989 1 43 . 1 1 62 62 GLN C C 62 177.624 177.624 178.196 -0.572 25791 16990 1 43 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.589 -0.953 25791 16991 1 43 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.546 0.090 25791 16992 1 43 . 1 1 62 62 GLN H H 62 8.203 8.203 8.438 -0.235 25791 16993 1 43 . 1 1 63 63 ALA N N 63 122.712 122.712 121.280 1.432 25791 16994 1 43 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.130 0.076 25791 16995 1 43 . 1 1 63 63 ALA C C 63 178.922 178.922 178.506 0.416 25791 16996 1 43 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.554 -0.658 25791 16997 1 43 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.197 0.262 25791 16998 1 43 . 1 1 63 63 ALA H H 63 8.004 8.004 7.961 0.043 25791 16999 1 43 . 1 1 64 64 ALA N N 64 120.813 120.813 120.677 0.136 25791 17000 1 43 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.184 0.048 25791 17001 1 43 . 1 1 64 64 ALA C C 64 178.732 178.732 178.565 0.167 25791 17002 1 43 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.098 -0.582 25791 17003 1 43 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.078 -0.448 25791 17004 1 43 . 1 1 64 64 ALA H H 64 7.837 7.837 7.564 0.273 25791 17005 1 43 . 1 1 65 65 LEU N N 65 119.196 119.196 119.095 0.101 25791 17006 1 43 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.252 0.005 25791 17007 1 43 . 1 1 65 65 LEU C C 65 178.038 178.038 177.785 0.253 25791 17008 1 43 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.274 -0.452 25791 17009 1 43 . 1 1 65 65 LEU CB C 65 42.264 42.264 41.633 0.631 25791 17010 1 43 . 1 1 65 65 LEU H H 65 7.765 7.765 7.321 0.444 25791 17011 1 43 . 1 1 66 66 GLN N N 66 119.365 119.365 115.473 3.892 25791 17012 1 43 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.924 0.351 25791 17013 1 43 . 1 1 66 66 GLN C C 66 176.120 176.120 175.605 0.515 25791 17014 1 43 . 1 1 66 66 GLN CA C 66 56.067 56.067 57.166 -1.099 25791 17015 1 43 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.706 2.426 25791 17016 1 43 . 1 1 66 66 GLN H H 66 7.967 7.967 8.456 -0.489 25791 17017 1 43 . 1 1 67 67 LYS N N 67 121.521 121.521 116.444 5.077 25791 17018 1 43 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.410 -0.101 25791 17019 1 43 . 1 1 67 67 LYS C C 67 176.437 176.437 174.936 1.501 25791 17020 1 43 . 1 1 67 67 LYS CA C 67 56.389 56.389 56.976 -0.587 25791 17021 1 43 . 1 1 67 67 LYS CB C 67 33.041 33.041 33.573 -0.532 25791 17022 1 43 . 1 1 67 67 LYS H H 67 8.053 8.053 8.167 -0.114 25791 17023 1 43 . 1 1 68 68 GLN N N 68 121.970 121.970 118.599 3.371 25791 17024 1 43 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.589 -0.250 25791 17025 1 43 . 1 1 68 68 GLN C C 68 175.120 175.120 174.934 0.186 25791 17026 1 43 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.106 0.894 25791 17027 1 43 . 1 1 68 68 GLN CB C 68 29.498 29.498 30.598 -1.100 25791 17028 1 43 . 1 1 68 68 GLN H H 68 8.314 8.314 8.136 0.178 25791 17029 1 44 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.632 -0.185 25791 17030 1 44 . 1 1 2 2 GLN C C 2 176.144 176.144 175.592 0.552 25791 17031 1 44 . 1 1 2 2 GLN CA C 2 56.209 56.209 55.304 0.905 25791 17032 1 44 . 1 1 2 2 GLN CB C 2 29.459 29.459 32.938 -3.479 25791 17033 1 44 . 1 1 3 3 GLN N N 3 122.052 122.052 124.295 -2.243 25791 17034 1 44 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.297 0.026 25791 17035 1 44 . 1 1 3 3 GLN C C 3 176.988 176.988 177.982 -0.994 25791 17036 1 44 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.722 -1.319 25791 17037 1 44 . 1 1 3 3 GLN CB C 3 29.239 29.239 29.128 0.111 25791 17038 1 44 . 1 1 3 3 GLN H H 3 8.780 8.780 8.755 0.025 25791 17039 1 44 . 1 1 4 4 LYS N N 4 121.855 121.855 119.280 2.575 25791 17040 1 44 . 1 1 4 4 LYS HA H 4 4.004 4.004 3.990 0.014 25791 17041 1 44 . 1 1 4 4 LYS C C 4 177.638 177.638 178.490 -0.852 25791 17042 1 44 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.465 0.774 25791 17043 1 44 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.219 0.480 25791 17044 1 44 . 1 1 4 4 LYS H H 4 8.528 8.528 8.755 -0.227 25791 17045 1 44 . 1 1 5 5 GLN N N 5 116.397 116.397 118.496 -2.099 25791 17046 1 44 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.976 -0.035 25791 17047 1 44 . 1 1 5 5 GLN C C 5 178.761 178.761 178.339 0.422 25791 17048 1 44 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.576 0.773 25791 17049 1 44 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.164 -0.214 25791 17050 1 44 . 1 1 5 5 GLN H H 5 8.223 8.223 7.629 0.594 25791 17051 1 44 . 1 1 6 6 GLN N N 6 119.262 119.262 119.364 -0.102 25791 17052 1 44 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.078 0.050 25791 17053 1 44 . 1 1 6 6 GLN C C 6 179.018 179.018 178.383 0.635 25791 17054 1 44 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.843 0.246 25791 17055 1 44 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.234 0.476 25791 17056 1 44 . 1 1 6 6 GLN H H 6 7.848 7.848 7.681 0.167 25791 17057 1 44 . 1 1 7 7 ILE N N 7 121.296 121.296 121.730 -0.434 25791 17058 1 44 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.847 -0.264 25791 17059 1 44 . 1 1 7 7 ILE C C 7 177.833 177.833 178.206 -0.373 25791 17060 1 44 . 1 1 7 7 ILE CA C 7 65.129 65.129 63.142 1.988 25791 17061 1 44 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.145 1.061 25791 17062 1 44 . 1 1 7 7 ILE H H 7 8.095 8.095 7.438 0.657 25791 17063 1 44 . 1 1 8 8 MET N N 8 117.603 117.603 119.473 -1.870 25791 17064 1 44 . 1 1 8 8 MET HA H 8 3.985 3.985 3.998 -0.013 25791 17065 1 44 . 1 1 8 8 MET C C 8 177.355 177.355 178.795 -1.440 25791 17066 1 44 . 1 1 8 8 MET CA C 8 59.932 59.932 59.950 -0.018 25791 17067 1 44 . 1 1 8 8 MET CB C 8 32.721 32.721 32.165 0.556 25791 17068 1 44 . 1 1 8 8 MET H H 8 8.672 8.672 8.593 0.079 25791 17069 1 44 . 1 1 9 9 ALA N N 9 118.774 118.774 120.769 -1.995 25791 17070 1 44 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.087 -0.041 25791 17071 1 44 . 1 1 9 9 ALA C C 9 180.546 180.546 179.058 1.488 25791 17072 1 44 . 1 1 9 9 ALA CA C 9 55.385 55.385 54.992 0.393 25791 17073 1 44 . 1 1 9 9 ALA CB C 9 17.898 17.898 18.156 -0.258 25791 17074 1 44 . 1 1 9 9 ALA H H 9 7.795 7.795 8.337 -0.542 25791 17075 1 44 . 1 1 10 10 ALA N N 10 120.854 120.854 121.960 -1.106 25791 17076 1 44 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.055 0.150 25791 17077 1 44 . 1 1 10 10 ALA C C 10 181.200 181.200 179.419 1.781 25791 17078 1 44 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.664 0.348 25791 17079 1 44 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.397 0.864 25791 17080 1 44 . 1 1 10 10 ALA H H 10 7.438 7.438 7.494 -0.056 25791 17081 1 44 . 1 1 11 11 LEU N N 11 120.775 120.775 118.617 2.158 25791 17082 1 44 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.677 0.071 25791 17083 1 44 . 1 1 11 11 LEU C C 11 179.041 179.041 179.206 -0.165 25791 17084 1 44 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.887 0.459 25791 17085 1 44 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.372 -1.395 25791 17086 1 44 . 1 1 11 11 LEU H H 11 8.757 8.757 8.427 0.330 25791 17087 1 44 . 1 1 12 12 ASN N N 12 116.313 116.313 116.590 -0.277 25791 17088 1 44 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.519 0.045 25791 17089 1 44 . 1 1 12 12 ASN C C 12 178.900 178.900 176.674 2.226 25791 17090 1 44 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.563 -1.498 25791 17091 1 44 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.755 -1.762 25791 17092 1 44 . 1 1 12 12 ASN H H 12 8.850 8.850 8.317 0.533 25791 17093 1 44 . 1 1 13 13 SER N N 13 114.747 114.747 114.793 -0.046 25791 17094 1 44 . 1 1 13 13 SER HA H 13 4.370 4.370 4.184 0.186 25791 17095 1 44 . 1 1 13 13 SER C C 13 176.515 176.515 176.565 -0.050 25791 17096 1 44 . 1 1 13 13 SER CA C 13 61.141 61.141 61.637 -0.496 25791 17097 1 44 . 1 1 13 13 SER CB C 13 63.044 63.044 63.242 -0.198 25791 17098 1 44 . 1 1 13 13 SER H H 13 7.672 7.672 7.713 -0.041 25791 17099 1 44 . 1 1 14 14 GLN N N 14 119.954 119.954 117.872 2.082 25791 17100 1 44 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.203 0.015 25791 17101 1 44 . 1 1 14 14 GLN C C 14 178.208 178.208 176.231 1.977 25791 17102 1 44 . 1 1 14 14 GLN CA C 14 57.749 57.749 58.054 -0.305 25791 17103 1 44 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.793 -0.093 25791 17104 1 44 . 1 1 14 14 GLN H H 14 7.573 7.573 7.699 -0.126 25791 17105 1 44 . 1 1 15 15 THR N N 15 107.493 107.493 107.274 0.219 25791 17106 1 44 . 1 1 15 15 THR HA H 15 3.899 3.899 4.342 -0.443 25791 17107 1 44 . 1 1 15 15 THR C C 15 174.683 174.683 174.291 0.392 25791 17108 1 44 . 1 1 15 15 THR CA C 15 61.551 61.551 60.531 1.020 25791 17109 1 44 . 1 1 15 15 THR CB C 15 69.226 69.226 69.034 0.192 25791 17110 1 44 . 1 1 15 15 THR H H 15 7.741 7.741 7.154 0.587 25791 17111 1 44 . 1 1 16 16 ALA N N 16 124.034 124.034 125.977 -1.943 25791 17112 1 44 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.037 0.098 25791 17113 1 44 . 1 1 16 16 ALA C C 16 179.899 179.899 178.822 1.077 25791 17114 1 44 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.625 0.582 25791 17115 1 44 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.189 0.536 25791 17116 1 44 . 1 1 16 16 ALA H H 16 6.873 6.873 7.204 -0.331 25791 17117 1 44 . 1 1 17 17 VAL N N 17 117.150 117.150 117.822 -0.672 25791 17118 1 44 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.736 -0.022 25791 17119 1 44 . 1 1 17 17 VAL C C 17 178.537 178.537 177.310 1.227 25791 17120 1 44 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.003 1.505 25791 17121 1 44 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.760 -0.067 25791 17122 1 44 . 1 1 17 17 VAL H H 17 8.162 8.162 8.426 -0.264 25791 17123 1 44 . 1 1 18 18 GLN N N 18 119.489 119.489 119.074 0.415 25791 17124 1 44 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.068 -0.011 25791 17125 1 44 . 1 1 18 18 GLN C C 18 180.429 180.429 178.543 1.886 25791 17126 1 44 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.099 0.600 25791 17127 1 44 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.521 0.665 25791 17128 1 44 . 1 1 18 18 GLN H H 18 8.451 8.451 7.934 0.517 25791 17129 1 44 . 1 1 19 19 PHE N N 19 117.940 117.940 118.986 -1.046 25791 17130 1 44 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.423 0.407 25791 17131 1 44 . 1 1 19 19 PHE C C 19 177.858 177.858 178.314 -0.456 25791 17132 1 44 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.781 -1.752 25791 17133 1 44 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.144 -2.239 25791 17134 1 44 . 1 1 19 19 PHE H H 19 8.924 8.924 8.664 0.260 25791 17135 1 44 . 1 1 20 20 GLN N N 20 120.297 120.297 119.642 0.655 25791 17136 1 44 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.962 0.144 25791 17137 1 44 . 1 1 20 20 GLN C C 20 178.986 178.986 178.690 0.296 25791 17138 1 44 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.709 -0.146 25791 17139 1 44 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.567 -0.672 25791 17140 1 44 . 1 1 20 20 GLN H H 20 8.264 8.264 8.081 0.183 25791 17141 1 44 . 1 1 21 21 GLN N N 21 118.595 118.595 119.207 -0.612 25791 17142 1 44 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.055 0.027 25791 17143 1 44 . 1 1 21 21 GLN C C 21 178.806 178.806 178.604 0.202 25791 17144 1 44 . 1 1 21 21 GLN CA C 21 59.170 59.170 59.035 0.135 25791 17145 1 44 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.883 -0.687 25791 17146 1 44 . 1 1 21 21 GLN H H 21 8.527 8.527 8.374 0.153 25791 17147 1 44 . 1 1 22 22 TYR N N 22 119.594 119.594 121.291 -1.697 25791 17148 1 44 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.264 -0.017 25791 17149 1 44 . 1 1 22 22 TYR C C 22 177.789 177.789 177.091 0.698 25791 17150 1 44 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.282 1.430 25791 17151 1 44 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.428 0.296 25791 17152 1 44 . 1 1 22 22 TYR H H 22 7.843 7.843 8.167 -0.324 25791 17153 1 44 . 1 1 23 23 ALA N N 23 120.663 120.663 121.396 -0.733 25791 17154 1 44 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.694 0.163 25791 17155 1 44 . 1 1 23 23 ALA C C 23 179.319 179.319 178.676 0.643 25791 17156 1 44 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.914 0.675 25791 17157 1 44 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.153 0.329 25791 17158 1 44 . 1 1 23 23 ALA H H 23 8.612 8.612 8.468 0.144 25791 17159 1 44 . 1 1 24 24 ALA N N 24 119.002 119.002 120.613 -1.611 25791 17160 1 44 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.123 -0.185 25791 17161 1 44 . 1 1 24 24 ALA C C 24 178.987 178.987 179.053 -0.066 25791 17162 1 44 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.032 0.284 25791 17163 1 44 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.511 -0.619 25791 17164 1 44 . 1 1 24 24 ALA H H 24 8.168 8.168 8.061 0.107 25791 17165 1 44 . 1 1 25 25 GLN N N 25 115.599 115.599 117.037 -1.438 25791 17166 1 44 . 1 1 25 25 GLN HA H 25 4.004 4.004 3.997 0.007 25791 17167 1 44 . 1 1 25 25 GLN C C 25 177.818 177.818 178.413 -0.595 25791 17168 1 44 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.142 -0.688 25791 17169 1 44 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.864 -0.409 25791 17170 1 44 . 1 1 25 25 GLN H H 25 7.300 7.300 7.686 -0.386 25791 17171 1 44 . 1 1 26 26 GLN N N 26 116.989 116.989 116.421 0.568 25791 17172 1 44 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.854 -0.150 25791 17173 1 44 . 1 1 26 26 GLN C C 26 175.979 175.979 176.072 -0.093 25791 17174 1 44 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.964 -0.176 25791 17175 1 44 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.349 -0.269 25791 17176 1 44 . 1 1 26 26 GLN H H 26 7.401 7.401 7.294 0.107 25791 17177 1 44 . 1 1 27 27 TYR N N 27 114.712 114.712 117.824 -3.112 25791 17178 1 44 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.896 0.182 25791 17179 1 44 . 1 1 27 27 TYR C C 27 172.931 172.931 173.706 -0.775 25791 17180 1 44 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.418 0.749 25791 17181 1 44 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.146 1.514 25791 17182 1 44 . 1 1 27 27 TYR H H 27 7.675 7.675 7.999 -0.324 25791 17183 1 44 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.365 -0.003 25791 17184 1 44 . 1 1 28 28 PRO C C 28 179.333 179.333 178.264 1.069 25791 17185 1 44 . 1 1 28 28 PRO CA C 28 64.394 64.394 63.642 0.752 25791 17186 1 44 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.340 -1.086 25791 17187 1 44 . 1 1 29 29 GLY N N 29 110.091 110.091 112.078 -1.987 25791 17188 1 44 . 1 1 29 29 GLY C C 29 173.218 173.218 174.330 -1.112 25791 17189 1 44 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.619 0.293 25791 17190 1 44 . 1 1 29 29 GLY H H 29 8.826 8.826 8.752 0.074 25791 17191 1 44 . 1 1 30 30 ASN N N 30 118.603 118.603 120.965 -2.362 25791 17192 1 44 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.885 0.114 25791 17193 1 44 . 1 1 30 30 ASN C C 30 173.977 173.977 175.357 -1.380 25791 17194 1 44 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.453 -0.268 25791 17195 1 44 . 1 1 30 30 ASN CB C 30 38.426 38.426 37.908 0.518 25791 17196 1 44 . 1 1 30 30 ASN H H 30 7.293 7.293 7.551 -0.258 25791 17197 1 44 . 1 1 31 31 TYR N N 31 125.240 125.240 128.357 -3.117 25791 17198 1 44 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.101 -0.203 25791 17199 1 44 . 1 1 31 31 TYR C C 31 177.343 177.343 176.771 0.572 25791 17200 1 44 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.078 -0.267 25791 17201 1 44 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.619 -0.262 25791 17202 1 44 . 1 1 31 31 TYR H H 31 8.509 8.509 8.309 0.200 25791 17203 1 44 . 1 1 32 32 GLU N N 32 118.993 118.993 118.659 0.334 25791 17204 1 44 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.795 0.105 25791 17205 1 44 . 1 1 32 32 GLU C C 32 179.549 179.549 178.919 0.630 25791 17206 1 44 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.684 0.427 25791 17207 1 44 . 1 1 32 32 GLU CB C 32 29.168 29.168 29.277 -0.109 25791 17208 1 44 . 1 1 32 32 GLU H H 32 8.714 8.714 8.251 0.463 25791 17209 1 44 . 1 1 33 33 GLN N N 33 117.037 117.037 118.318 -1.281 25791 17210 1 44 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.817 -0.084 25791 17211 1 44 . 1 1 33 33 GLN C C 33 179.119 179.119 178.733 0.386 25791 17212 1 44 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.254 -0.552 25791 17213 1 44 . 1 1 33 33 GLN CB C 33 27.626 27.626 28.062 -0.436 25791 17214 1 44 . 1 1 33 33 GLN H H 33 7.536 7.536 8.391 -0.855 25791 17215 1 44 . 1 1 34 34 GLN N N 34 117.723 117.723 119.354 -1.631 25791 17216 1 44 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.032 -0.221 25791 17217 1 44 . 1 1 34 34 GLN C C 34 177.634 177.634 178.558 -0.924 25791 17218 1 44 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.271 0.894 25791 17219 1 44 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.534 -1.033 25791 17220 1 44 . 1 1 34 34 GLN H H 34 7.968 7.968 8.207 -0.239 25791 17221 1 44 . 1 1 35 35 GLN N N 35 115.293 115.293 118.939 -3.646 25791 17222 1 44 . 1 1 35 35 GLN HA H 35 3.791 3.791 3.939 -0.148 25791 17223 1 44 . 1 1 35 35 GLN C C 35 178.757 178.757 178.601 0.156 25791 17224 1 44 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.510 0.100 25791 17225 1 44 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.241 -0.036 25791 17226 1 44 . 1 1 35 35 GLN H H 35 7.870 7.870 7.987 -0.117 25791 17227 1 44 . 1 1 36 36 ILE N N 36 120.769 120.769 120.369 0.400 25791 17228 1 44 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.648 -0.084 25791 17229 1 44 . 1 1 36 36 ILE C C 36 178.273 178.273 178.150 0.123 25791 17230 1 44 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.232 0.004 25791 17231 1 44 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.661 0.712 25791 17232 1 44 . 1 1 36 36 ILE H H 36 7.503 7.503 8.153 -0.650 25791 17233 1 44 . 1 1 37 37 LEU N N 37 121.056 121.056 121.337 -0.281 25791 17234 1 44 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.078 0.231 25791 17235 1 44 . 1 1 37 37 LEU C C 37 178.348 178.348 178.092 0.256 25791 17236 1 44 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.596 0.138 25791 17237 1 44 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.688 -0.172 25791 17238 1 44 . 1 1 37 37 LEU H H 37 7.678 7.678 7.674 0.004 25791 17239 1 44 . 1 1 38 38 ILE N N 38 119.334 119.334 120.115 -0.781 25791 17240 1 44 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.406 -0.065 25791 17241 1 44 . 1 1 38 38 ILE C C 38 177.371 177.371 177.857 -0.486 25791 17242 1 44 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.692 1.393 25791 17243 1 44 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.457 0.892 25791 17244 1 44 . 1 1 38 38 ILE H H 38 8.702 8.702 8.157 0.545 25791 17245 1 44 . 1 1 39 39 ARG N N 39 117.798 117.798 119.695 -1.897 25791 17246 1 44 . 1 1 39 39 ARG HA H 39 4.215 4.215 3.947 0.268 25791 17247 1 44 . 1 1 39 39 ARG C C 39 179.555 179.555 179.080 0.475 25791 17248 1 44 . 1 1 39 39 ARG CA C 39 59.459 59.459 60.087 -0.628 25791 17249 1 44 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.895 -0.143 25791 17250 1 44 . 1 1 39 39 ARG H H 39 7.739 7.739 8.311 -0.572 25791 17251 1 44 . 1 1 40 40 GLN N N 40 119.432 119.432 118.911 0.521 25791 17252 1 44 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.017 0.120 25791 17253 1 44 . 1 1 40 40 GLN C C 40 179.522 179.522 178.551 0.971 25791 17254 1 44 . 1 1 40 40 GLN CA C 40 59.260 59.260 59.061 0.199 25791 17255 1 44 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.717 -0.359 25791 17256 1 44 . 1 1 40 40 GLN H H 40 7.811 7.811 7.576 0.235 25791 17257 1 44 . 1 1 41 41 LEU N N 41 121.592 121.592 120.135 1.457 25791 17258 1 44 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.692 -0.005 25791 17259 1 44 . 1 1 41 41 LEU C C 41 178.974 178.974 178.994 -0.020 25791 17260 1 44 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.563 0.400 25791 17261 1 44 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.894 -1.042 25791 17262 1 44 . 1 1 41 41 LEU H H 41 8.648 8.648 8.201 0.447 25791 17263 1 44 . 1 1 42 42 GLN N N 42 119.054 119.054 118.537 0.517 25791 17264 1 44 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.269 0.275 25791 17265 1 44 . 1 1 42 42 GLN C C 42 180.176 180.176 178.741 1.435 25791 17266 1 44 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.478 -0.244 25791 17267 1 44 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.816 -0.896 25791 17268 1 44 . 1 1 42 42 GLN H H 42 8.641 8.641 8.533 0.108 25791 17269 1 44 . 1 1 43 43 GLU N N 43 121.517 121.517 120.844 0.673 25791 17270 1 44 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.037 0.199 25791 17271 1 44 . 1 1 43 43 GLU C C 43 179.721 179.721 179.062 0.659 25791 17272 1 44 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.628 0.039 25791 17273 1 44 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.483 -0.225 25791 17274 1 44 . 1 1 43 43 GLU H H 43 8.111 8.111 7.816 0.295 25791 17275 1 44 . 1 1 44 44 GLN N N 44 119.240 119.240 117.966 1.274 25791 17276 1 44 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.039 0.077 25791 17277 1 44 . 1 1 44 44 GLN C C 44 179.012 179.012 178.338 0.674 25791 17278 1 44 . 1 1 44 44 GLN CA C 44 59.149 59.149 58.988 0.161 25791 17279 1 44 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.751 0.103 25791 17280 1 44 . 1 1 44 44 GLN H H 44 8.372 8.372 8.108 0.264 25791 17281 1 44 . 1 1 45 45 HIS N N 45 121.705 121.705 120.857 0.848 25791 17282 1 44 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.290 -0.010 25791 17283 1 44 . 1 1 45 45 HIS C C 45 176.395 176.395 177.289 -0.894 25791 17284 1 44 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.092 1.267 25791 17285 1 44 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.529 1.796 25791 17286 1 44 . 1 1 45 45 HIS H H 45 9.472 9.472 8.309 1.163 25791 17287 1 44 . 1 1 46 46 TYR N N 46 119.039 119.039 120.462 -1.423 25791 17288 1 44 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.048 -0.199 25791 17289 1 44 . 1 1 46 46 TYR C C 46 176.664 176.664 177.981 -1.317 25791 17290 1 44 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.850 0.401 25791 17291 1 44 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.404 -0.732 25791 17292 1 44 . 1 1 46 46 TYR H H 46 8.253 8.253 8.313 -0.060 25791 17293 1 44 . 1 1 47 47 GLN N N 47 116.407 116.407 117.638 -1.231 25791 17294 1 44 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.839 -0.055 25791 17295 1 44 . 1 1 47 47 GLN C C 47 179.048 179.048 178.431 0.617 25791 17296 1 44 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.613 -0.664 25791 17297 1 44 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.356 -0.175 25791 17298 1 44 . 1 1 47 47 GLN H H 47 7.814 7.814 8.116 -0.302 25791 17299 1 44 . 1 1 48 48 GLN N N 48 119.803 119.803 119.497 0.306 25791 17300 1 44 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.076 -0.099 25791 17301 1 44 . 1 1 48 48 GLN C C 48 177.741 177.741 178.262 -0.521 25791 17302 1 44 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.342 -0.028 25791 17303 1 44 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.373 -0.045 25791 17304 1 44 . 1 1 48 48 GLN H H 48 8.645 8.645 8.324 0.321 25791 17305 1 44 . 1 1 49 49 TYR N N 49 121.342 121.342 121.720 -0.378 25791 17306 1 44 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.113 -0.473 25791 17307 1 44 . 1 1 49 49 TYR C C 49 176.021 176.021 177.484 -1.463 25791 17308 1 44 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.631 0.478 25791 17309 1 44 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.263 0.644 25791 17310 1 44 . 1 1 49 49 TYR H H 49 9.105 9.105 8.509 0.596 25791 17311 1 44 . 1 1 50 50 MET N N 50 115.522 115.522 118.109 -2.587 25791 17312 1 44 . 1 1 50 50 MET HA H 50 4.040 4.040 3.774 0.266 25791 17313 1 44 . 1 1 50 50 MET C C 50 179.841 179.841 178.364 1.477 25791 17314 1 44 . 1 1 50 50 MET CA C 50 56.623 56.623 56.768 -0.145 25791 17315 1 44 . 1 1 50 50 MET CB C 50 30.099 30.099 31.665 -1.565 25791 17316 1 44 . 1 1 50 50 MET H H 50 8.060 8.060 8.263 -0.203 25791 17317 1 44 . 1 1 51 51 GLN N N 51 118.942 118.942 118.206 0.736 25791 17318 1 44 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.909 0.156 25791 17319 1 44 . 1 1 51 51 GLN C C 51 178.707 178.707 178.641 0.066 25791 17320 1 44 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.016 -0.074 25791 17321 1 44 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.021 0.468 25791 17322 1 44 . 1 1 51 51 GLN H H 51 7.830 7.830 8.014 -0.184 25791 17323 1 44 . 1 1 52 52 GLN N N 52 119.210 119.210 119.452 -0.242 25791 17324 1 44 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.094 -0.037 25791 17325 1 44 . 1 1 52 52 GLN C C 52 178.738 178.738 178.468 0.270 25791 17326 1 44 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.670 0.079 25791 17327 1 44 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.926 -0.523 25791 17328 1 44 . 1 1 52 52 GLN H H 52 8.187 8.187 7.833 0.354 25791 17329 1 44 . 1 1 53 53 LEU N N 53 121.233 121.233 121.332 -0.099 25791 17330 1 44 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.818 0.023 25791 17331 1 44 . 1 1 53 53 LEU C C 53 179.191 179.191 177.964 1.227 25791 17332 1 44 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.649 0.096 25791 17333 1 44 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.174 0.692 25791 17334 1 44 . 1 1 53 53 LEU H H 53 8.441 8.441 8.134 0.307 25791 17335 1 44 . 1 1 54 54 TYR N N 54 118.505 118.505 119.415 -0.910 25791 17336 1 44 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.887 0.431 25791 17337 1 44 . 1 1 54 54 TYR C C 54 177.535 177.535 177.446 0.089 25791 17338 1 44 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.133 -1.655 25791 17339 1 44 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.327 -0.541 25791 17340 1 44 . 1 1 54 54 TYR H H 54 7.819 7.819 8.187 -0.368 25791 17341 1 44 . 1 1 55 55 GLN N N 55 117.299 117.299 117.826 -0.527 25791 17342 1 44 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.008 -0.109 25791 17343 1 44 . 1 1 55 55 GLN C C 55 179.041 179.041 178.497 0.544 25791 17344 1 44 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.938 -0.229 25791 17345 1 44 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.752 -0.537 25791 17346 1 44 . 1 1 55 55 GLN H H 55 7.735 7.735 7.650 0.085 25791 17347 1 44 . 1 1 56 56 VAL N N 56 120.879 120.879 120.263 0.616 25791 17348 1 44 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.603 0.189 25791 17349 1 44 . 1 1 56 56 VAL C C 56 178.262 178.262 178.152 0.110 25791 17350 1 44 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.567 -0.625 25791 17351 1 44 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.314 0.565 25791 17352 1 44 . 1 1 56 56 VAL H H 56 8.014 8.014 7.952 0.062 25791 17353 1 44 . 1 1 57 57 GLN N N 57 120.513 120.513 118.851 1.662 25791 17354 1 44 . 1 1 57 57 GLN HA H 57 4.060 4.060 4.328 -0.268 25791 17355 1 44 . 1 1 57 57 GLN C C 57 178.772 178.772 178.385 0.387 25791 17356 1 44 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.047 0.569 25791 17357 1 44 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.963 0.022 25791 17358 1 44 . 1 1 57 57 GLN H H 57 8.103 8.103 8.168 -0.065 25791 17359 1 44 . 1 1 58 58 LEU N N 58 121.244 121.244 121.530 -0.286 25791 17360 1 44 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.890 0.115 25791 17361 1 44 . 1 1 58 58 LEU C C 58 179.134 179.134 178.333 0.801 25791 17362 1 44 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.341 0.165 25791 17363 1 44 . 1 1 58 58 LEU CB C 58 41.803 41.803 40.970 0.833 25791 17364 1 44 . 1 1 58 58 LEU H H 58 8.176 8.176 8.114 0.062 25791 17365 1 44 . 1 1 59 59 ALA N N 59 121.608 121.608 121.499 0.109 25791 17366 1 44 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.952 0.213 25791 17367 1 44 . 1 1 59 59 ALA C C 59 180.497 180.497 179.862 0.635 25791 17368 1 44 . 1 1 59 59 ALA CA C 59 54.582 54.582 54.830 -0.248 25791 17369 1 44 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.478 -0.425 25791 17370 1 44 . 1 1 59 59 ALA H H 59 7.833 7.833 8.234 -0.401 25791 17371 1 44 . 1 1 60 60 GLN N N 60 118.335 118.335 118.028 0.307 25791 17372 1 44 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.900 0.248 25791 17373 1 44 . 1 1 60 60 GLN C C 60 178.334 178.334 178.603 -0.269 25791 17374 1 44 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.747 -0.770 25791 17375 1 44 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.633 -0.198 25791 17376 1 44 . 1 1 60 60 GLN H H 60 8.081 8.081 8.044 0.037 25791 17377 1 44 . 1 1 61 61 GLN N N 61 120.206 120.206 119.935 0.271 25791 17378 1 44 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.993 0.169 25791 17379 1 44 . 1 1 61 61 GLN C C 61 178.002 178.002 178.480 -0.478 25791 17380 1 44 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.592 -0.687 25791 17381 1 44 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.260 0.319 25791 17382 1 44 . 1 1 61 61 GLN H H 61 8.111 8.111 8.211 -0.100 25791 17383 1 44 . 1 1 62 62 GLN N N 62 118.980 118.980 119.449 -0.469 25791 17384 1 44 . 1 1 62 62 GLN HA H 62 4.129 4.129 3.953 0.176 25791 17385 1 44 . 1 1 62 62 GLN C C 62 177.624 177.624 178.435 -0.811 25791 17386 1 44 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.846 -1.210 25791 17387 1 44 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.755 -0.119 25791 17388 1 44 . 1 1 62 62 GLN H H 62 8.203 8.203 8.472 -0.269 25791 17389 1 44 . 1 1 63 63 ALA N N 63 122.712 122.712 122.296 0.416 25791 17390 1 44 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.119 0.087 25791 17391 1 44 . 1 1 63 63 ALA C C 63 178.922 178.922 178.892 0.030 25791 17392 1 44 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.599 -0.703 25791 17393 1 44 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.262 0.197 25791 17394 1 44 . 1 1 63 63 ALA H H 63 8.004 8.004 7.937 0.067 25791 17395 1 44 . 1 1 64 64 ALA N N 64 120.813 120.813 119.844 0.969 25791 17396 1 44 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.158 0.074 25791 17397 1 44 . 1 1 64 64 ALA C C 64 178.732 178.732 178.635 0.097 25791 17398 1 44 . 1 1 64 64 ALA CA C 64 53.516 53.516 53.970 -0.454 25791 17399 1 44 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.186 -0.556 25791 17400 1 44 . 1 1 64 64 ALA H H 64 7.837 7.837 7.742 0.095 25791 17401 1 44 . 1 1 65 65 LEU N N 65 119.196 119.196 119.283 -0.087 25791 17402 1 44 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.307 -0.050 25791 17403 1 44 . 1 1 65 65 LEU C C 65 178.038 178.038 177.878 0.160 25791 17404 1 44 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.312 -0.490 25791 17405 1 44 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.156 0.109 25791 17406 1 44 . 1 1 65 65 LEU H H 65 7.765 7.765 7.726 0.039 25791 17407 1 44 . 1 1 66 66 GLN N N 66 119.365 119.365 115.069 4.296 25791 17408 1 44 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.936 0.339 25791 17409 1 44 . 1 1 66 66 GLN C C 66 176.120 176.120 175.053 1.067 25791 17410 1 44 . 1 1 66 66 GLN CA C 66 56.067 56.067 56.980 -0.913 25791 17411 1 44 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.670 2.462 25791 17412 1 44 . 1 1 66 66 GLN H H 66 7.967 7.967 8.110 -0.143 25791 17413 1 44 . 1 1 67 67 LYS N N 67 121.521 121.521 118.079 3.442 25791 17414 1 44 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.487 -0.178 25791 17415 1 44 . 1 1 67 67 LYS C C 67 176.437 176.437 175.920 0.517 25791 17416 1 44 . 1 1 67 67 LYS CA C 67 56.389 56.389 55.798 0.591 25791 17417 1 44 . 1 1 67 67 LYS CB C 67 33.041 33.041 32.815 0.226 25791 17418 1 44 . 1 1 67 67 LYS H H 67 8.053 8.053 8.168 -0.115 25791 17419 1 44 . 1 1 68 68 GLN N N 68 121.970 121.970 119.040 2.930 25791 17420 1 44 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.433 -0.094 25791 17421 1 44 . 1 1 68 68 GLN C C 68 175.120 175.120 175.759 -0.639 25791 17422 1 44 . 1 1 68 68 GLN CA C 68 56.000 56.000 55.124 0.876 25791 17423 1 44 . 1 1 68 68 GLN CB C 68 29.498 29.498 27.991 1.507 25791 17424 1 44 . 1 1 68 68 GLN H H 68 8.314 8.314 8.130 0.184 25791 17425 1 45 . 1 1 2 2 GLN HA H 2 4.447 4.447 4.274 0.173 25791 17426 1 45 . 1 1 2 2 GLN C C 2 176.144 176.144 176.882 -0.738 25791 17427 1 45 . 1 1 2 2 GLN CA C 2 56.209 56.209 56.450 -0.241 25791 17428 1 45 . 1 1 2 2 GLN CB C 2 29.459 29.459 28.614 0.845 25791 17429 1 45 . 1 1 3 3 GLN N N 3 122.052 122.052 120.015 2.037 25791 17430 1 45 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.083 0.240 25791 17431 1 45 . 1 1 3 3 GLN C C 3 176.988 176.988 177.060 -0.072 25791 17432 1 45 . 1 1 3 3 GLN CA C 3 57.403 57.403 57.983 -0.580 25791 17433 1 45 . 1 1 3 3 GLN CB C 3 29.239 29.239 27.308 1.931 25791 17434 1 45 . 1 1 3 3 GLN H H 3 8.780 8.780 8.547 0.233 25791 17435 1 45 . 1 1 4 4 LYS N N 4 121.855 121.855 120.970 0.885 25791 17436 1 45 . 1 1 4 4 LYS HA H 4 4.004 4.004 3.963 0.041 25791 17437 1 45 . 1 1 4 4 LYS C C 4 177.638 177.638 178.331 -0.693 25791 17438 1 45 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.413 0.826 25791 17439 1 45 . 1 1 4 4 LYS CB C 4 32.699 32.699 31.895 0.804 25791 17440 1 45 . 1 1 4 4 LYS H H 4 8.528 8.528 7.510 1.018 25791 17441 1 45 . 1 1 5 5 GLN N N 5 116.397 116.397 117.415 -1.018 25791 17442 1 45 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.943 -0.002 25791 17443 1 45 . 1 1 5 5 GLN C C 5 178.761 178.761 178.396 0.365 25791 17444 1 45 . 1 1 5 5 GLN CA C 5 59.349 59.349 59.437 -0.088 25791 17445 1 45 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.528 -0.578 25791 17446 1 45 . 1 1 5 5 GLN H H 5 8.223 8.223 7.938 0.285 25791 17447 1 45 . 1 1 6 6 GLN N N 6 119.262 119.262 118.490 0.772 25791 17448 1 45 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.163 -0.035 25791 17449 1 45 . 1 1 6 6 GLN C C 6 179.018 179.018 178.618 0.400 25791 17450 1 45 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.438 0.651 25791 17451 1 45 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.146 0.564 25791 17452 1 45 . 1 1 6 6 GLN H H 6 7.848 7.848 7.732 0.116 25791 17453 1 45 . 1 1 7 7 ILE N N 7 121.296 121.296 122.242 -0.946 25791 17454 1 45 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.842 -0.259 25791 17455 1 45 . 1 1 7 7 ILE C C 7 177.833 177.833 178.166 -0.333 25791 17456 1 45 . 1 1 7 7 ILE CA C 7 65.129 65.129 63.359 1.770 25791 17457 1 45 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.182 1.024 25791 17458 1 45 . 1 1 7 7 ILE H H 7 8.095 8.095 7.602 0.493 25791 17459 1 45 . 1 1 8 8 MET N N 8 117.603 117.603 119.018 -1.415 25791 17460 1 45 . 1 1 8 8 MET HA H 8 3.985 3.985 4.049 -0.064 25791 17461 1 45 . 1 1 8 8 MET C C 8 177.355 177.355 178.745 -1.390 25791 17462 1 45 . 1 1 8 8 MET CA C 8 59.932 59.932 59.766 0.166 25791 17463 1 45 . 1 1 8 8 MET CB C 8 32.721 32.721 32.191 0.531 25791 17464 1 45 . 1 1 8 8 MET H H 8 8.672 8.672 8.531 0.141 25791 17465 1 45 . 1 1 9 9 ALA N N 9 118.774 118.774 121.613 -2.839 25791 17466 1 45 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.011 0.035 25791 17467 1 45 . 1 1 9 9 ALA C C 9 180.546 180.546 179.013 1.533 25791 17468 1 45 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.163 0.222 25791 17469 1 45 . 1 1 9 9 ALA CB C 9 17.898 17.898 18.066 -0.168 25791 17470 1 45 . 1 1 9 9 ALA H H 9 7.795 7.795 8.374 -0.579 25791 17471 1 45 . 1 1 10 10 ALA N N 10 120.854 120.854 121.603 -0.749 25791 17472 1 45 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.047 0.158 25791 17473 1 45 . 1 1 10 10 ALA C C 10 181.200 181.200 179.523 1.677 25791 17474 1 45 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.760 0.252 25791 17475 1 45 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.441 0.820 25791 17476 1 45 . 1 1 10 10 ALA H H 10 7.438 7.438 7.762 -0.324 25791 17477 1 45 . 1 1 11 11 LEU N N 11 120.775 120.775 118.567 2.208 25791 17478 1 45 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.745 0.003 25791 17479 1 45 . 1 1 11 11 LEU C C 11 179.041 179.041 179.079 -0.038 25791 17480 1 45 . 1 1 11 11 LEU CA C 11 58.346 58.346 58.003 0.343 25791 17481 1 45 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.356 -1.379 25791 17482 1 45 . 1 1 11 11 LEU H H 11 8.757 8.757 8.485 0.272 25791 17483 1 45 . 1 1 12 12 ASN N N 12 116.313 116.313 117.831 -1.518 25791 17484 1 45 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.540 0.024 25791 17485 1 45 . 1 1 12 12 ASN C C 12 178.900 178.900 177.442 1.458 25791 17486 1 45 . 1 1 12 12 ASN CA C 12 54.065 54.065 55.784 -1.719 25791 17487 1 45 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.725 -1.732 25791 17488 1 45 . 1 1 12 12 ASN H H 12 8.850 8.850 8.628 0.222 25791 17489 1 45 . 1 1 13 13 SER N N 13 114.747 114.747 115.920 -1.173 25791 17490 1 45 . 1 1 13 13 SER HA H 13 4.370 4.370 4.169 0.201 25791 17491 1 45 . 1 1 13 13 SER C C 13 176.515 176.515 176.509 0.006 25791 17492 1 45 . 1 1 13 13 SER CA C 13 61.141 61.141 61.690 -0.549 25791 17493 1 45 . 1 1 13 13 SER CB C 13 63.044 63.044 63.144 -0.100 25791 17494 1 45 . 1 1 13 13 SER H H 13 7.672 7.672 7.737 -0.065 25791 17495 1 45 . 1 1 14 14 GLN N N 14 119.954 119.954 117.624 2.330 25791 17496 1 45 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.217 0.001 25791 17497 1 45 . 1 1 14 14 GLN C C 14 178.208 178.208 176.616 1.592 25791 17498 1 45 . 1 1 14 14 GLN CA C 14 57.749 57.749 57.999 -0.250 25791 17499 1 45 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.577 0.123 25791 17500 1 45 . 1 1 14 14 GLN H H 14 7.573 7.573 7.818 -0.245 25791 17501 1 45 . 1 1 15 15 THR N N 15 107.493 107.493 107.557 -0.064 25791 17502 1 45 . 1 1 15 15 THR HA H 15 3.899 3.899 4.376 -0.477 25791 17503 1 45 . 1 1 15 15 THR C C 15 174.683 174.683 174.413 0.270 25791 17504 1 45 . 1 1 15 15 THR CA C 15 61.551 61.551 60.567 0.984 25791 17505 1 45 . 1 1 15 15 THR CB C 15 69.226 69.226 69.581 -0.355 25791 17506 1 45 . 1 1 15 15 THR H H 15 7.741 7.741 7.213 0.528 25791 17507 1 45 . 1 1 16 16 ALA N N 16 124.034 124.034 125.809 -1.775 25791 17508 1 45 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.007 0.128 25791 17509 1 45 . 1 1 16 16 ALA C C 16 179.899 179.899 178.789 1.110 25791 17510 1 45 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.772 0.435 25791 17511 1 45 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.232 0.492 25791 17512 1 45 . 1 1 16 16 ALA H H 16 6.873 6.873 7.203 -0.330 25791 17513 1 45 . 1 1 17 17 VAL N N 17 117.150 117.150 117.452 -0.302 25791 17514 1 45 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.769 -0.055 25791 17515 1 45 . 1 1 17 17 VAL C C 17 178.537 178.537 177.188 1.349 25791 17516 1 45 . 1 1 17 17 VAL CA C 17 66.508 66.508 64.950 1.558 25791 17517 1 45 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.807 -0.114 25791 17518 1 45 . 1 1 17 17 VAL H H 17 8.162 8.162 8.380 -0.218 25791 17519 1 45 . 1 1 18 18 GLN N N 18 119.489 119.489 119.163 0.326 25791 17520 1 45 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.345 -0.288 25791 17521 1 45 . 1 1 18 18 GLN C C 18 180.429 180.429 178.713 1.716 25791 17522 1 45 . 1 1 18 18 GLN CA C 18 59.699 59.699 58.891 0.808 25791 17523 1 45 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.659 0.527 25791 17524 1 45 . 1 1 18 18 GLN H H 18 8.451 8.451 8.004 0.447 25791 17525 1 45 . 1 1 19 19 PHE N N 19 117.940 117.940 119.121 -1.181 25791 17526 1 45 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.563 0.267 25791 17527 1 45 . 1 1 19 19 PHE C C 19 177.858 177.858 178.044 -0.186 25791 17528 1 45 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.135 -1.106 25791 17529 1 45 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.322 -2.417 25791 17530 1 45 . 1 1 19 19 PHE H H 19 8.924 8.924 8.753 0.171 25791 17531 1 45 . 1 1 20 20 GLN N N 20 120.297 120.297 120.026 0.271 25791 17532 1 45 . 1 1 20 20 GLN HA H 20 4.106 4.106 3.984 0.122 25791 17533 1 45 . 1 1 20 20 GLN C C 20 178.986 178.986 178.565 0.421 25791 17534 1 45 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.888 -0.325 25791 17535 1 45 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.533 -0.638 25791 17536 1 45 . 1 1 20 20 GLN H H 20 8.264 8.264 8.279 -0.015 25791 17537 1 45 . 1 1 21 21 GLN N N 21 118.595 118.595 119.303 -0.708 25791 17538 1 45 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.076 0.006 25791 17539 1 45 . 1 1 21 21 GLN C C 21 178.806 178.806 178.459 0.347 25791 17540 1 45 . 1 1 21 21 GLN CA C 21 59.170 59.170 59.103 0.067 25791 17541 1 45 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.814 -0.618 25791 17542 1 45 . 1 1 21 21 GLN H H 21 8.527 8.527 8.432 0.095 25791 17543 1 45 . 1 1 22 22 TYR N N 22 119.594 119.594 121.021 -1.427 25791 17544 1 45 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.167 0.080 25791 17545 1 45 . 1 1 22 22 TYR C C 22 177.789 177.789 177.068 0.721 25791 17546 1 45 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.730 0.982 25791 17547 1 45 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.340 0.384 25791 17548 1 45 . 1 1 22 22 TYR H H 22 7.843 7.843 7.797 0.046 25791 17549 1 45 . 1 1 23 23 ALA N N 23 120.663 120.663 121.304 -0.641 25791 17550 1 45 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.754 0.103 25791 17551 1 45 . 1 1 23 23 ALA C C 23 179.319 179.319 178.787 0.532 25791 17552 1 45 . 1 1 23 23 ALA CA C 23 55.589 55.589 55.004 0.585 25791 17553 1 45 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.238 0.243 25791 17554 1 45 . 1 1 23 23 ALA H H 23 8.612 8.612 8.661 -0.049 25791 17555 1 45 . 1 1 24 24 ALA N N 24 119.002 119.002 121.096 -2.094 25791 17556 1 45 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.093 -0.155 25791 17557 1 45 . 1 1 24 24 ALA C C 24 178.987 178.987 178.924 0.063 25791 17558 1 45 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.411 -0.094 25791 17559 1 45 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.806 -0.915 25791 17560 1 45 . 1 1 24 24 ALA H H 24 8.168 8.168 8.135 0.033 25791 17561 1 45 . 1 1 25 25 GLN N N 25 115.599 115.599 116.339 -0.740 25791 17562 1 45 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.025 -0.021 25791 17563 1 45 . 1 1 25 25 GLN C C 25 177.818 177.818 178.062 -0.244 25791 17564 1 45 . 1 1 25 25 GLN CA C 25 57.454 57.454 57.884 -0.430 25791 17565 1 45 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.685 -0.230 25791 17566 1 45 . 1 1 25 25 GLN H H 25 7.300 7.300 7.839 -0.539 25791 17567 1 45 . 1 1 26 26 GLN N N 26 116.989 116.989 117.685 -0.696 25791 17568 1 45 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.900 -0.196 25791 17569 1 45 . 1 1 26 26 GLN C C 26 175.979 175.979 176.055 -0.076 25791 17570 1 45 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.923 -0.135 25791 17571 1 45 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.538 -0.458 25791 17572 1 45 . 1 1 26 26 GLN H H 26 7.401 7.401 7.408 -0.007 25791 17573 1 45 . 1 1 27 27 TYR N N 27 114.712 114.712 117.971 -3.259 25791 17574 1 45 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.913 0.165 25791 17575 1 45 . 1 1 27 27 TYR C C 27 172.931 172.931 173.736 -0.805 25791 17576 1 45 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.793 0.374 25791 17577 1 45 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.214 1.446 25791 17578 1 45 . 1 1 27 27 TYR H H 27 7.675 7.675 8.044 -0.369 25791 17579 1 45 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.478 -0.116 25791 17580 1 45 . 1 1 28 28 PRO C C 28 179.333 179.333 177.960 1.373 25791 17581 1 45 . 1 1 28 28 PRO CA C 28 64.394 64.394 63.789 0.605 25791 17582 1 45 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.136 -0.883 25791 17583 1 45 . 1 1 29 29 GLY N N 29 110.091 110.091 112.102 -2.011 25791 17584 1 45 . 1 1 29 29 GLY C C 29 173.218 173.218 174.569 -1.351 25791 17585 1 45 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.329 0.583 25791 17586 1 45 . 1 1 29 29 GLY H H 29 8.826 8.826 8.872 -0.046 25791 17587 1 45 . 1 1 30 30 ASN N N 30 118.603 118.603 121.522 -2.919 25791 17588 1 45 . 1 1 30 30 ASN HA H 30 4.999 4.999 5.122 -0.123 25791 17589 1 45 . 1 1 30 30 ASN C C 30 173.977 173.977 174.648 -0.671 25791 17590 1 45 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.006 0.179 25791 17591 1 45 . 1 1 30 30 ASN CB C 30 38.426 38.426 37.919 0.507 25791 17592 1 45 . 1 1 30 30 ASN H H 30 7.293 7.293 7.818 -0.525 25791 17593 1 45 . 1 1 31 31 TYR N N 31 125.240 125.240 126.097 -0.857 25791 17594 1 45 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.051 -0.153 25791 17595 1 45 . 1 1 31 31 TYR C C 31 177.343 177.343 176.669 0.674 25791 17596 1 45 . 1 1 31 31 TYR CA C 31 61.811 61.811 62.812 -1.001 25791 17597 1 45 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.671 -0.314 25791 17598 1 45 . 1 1 31 31 TYR H H 31 8.509 8.509 7.922 0.587 25791 17599 1 45 . 1 1 32 32 GLU N N 32 118.993 118.993 118.069 0.924 25791 17600 1 45 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.562 0.338 25791 17601 1 45 . 1 1 32 32 GLU C C 32 179.549 179.549 178.848 0.701 25791 17602 1 45 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.734 0.377 25791 17603 1 45 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.837 0.331 25791 17604 1 45 . 1 1 32 32 GLU H H 32 8.714 8.714 8.693 0.021 25791 17605 1 45 . 1 1 33 33 GLN N N 33 117.037 117.037 117.618 -0.581 25791 17606 1 45 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.820 -0.087 25791 17607 1 45 . 1 1 33 33 GLN C C 33 179.119 179.119 178.654 0.465 25791 17608 1 45 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.313 -0.611 25791 17609 1 45 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.619 0.007 25791 17610 1 45 . 1 1 33 33 GLN H H 33 7.536 7.536 7.930 -0.394 25791 17611 1 45 . 1 1 34 34 GLN N N 34 117.723 117.723 119.714 -1.991 25791 17612 1 45 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.011 -0.200 25791 17613 1 45 . 1 1 34 34 GLN C C 34 177.634 177.634 178.433 -0.799 25791 17614 1 45 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.294 0.871 25791 17615 1 45 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.573 -1.072 25791 17616 1 45 . 1 1 34 34 GLN H H 34 7.968 7.968 8.119 -0.151 25791 17617 1 45 . 1 1 35 35 GLN N N 35 115.293 115.293 119.095 -3.802 25791 17618 1 45 . 1 1 35 35 GLN HA H 35 3.791 3.791 3.964 -0.173 25791 17619 1 45 . 1 1 35 35 GLN C C 35 178.757 178.757 178.570 0.187 25791 17620 1 45 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.500 0.110 25791 17621 1 45 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.156 0.049 25791 17622 1 45 . 1 1 35 35 GLN H H 35 7.870 7.870 7.993 -0.123 25791 17623 1 45 . 1 1 36 36 ILE N N 36 120.769 120.769 120.300 0.469 25791 17624 1 45 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.660 -0.096 25791 17625 1 45 . 1 1 36 36 ILE C C 36 178.273 178.273 178.053 0.220 25791 17626 1 45 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.188 0.048 25791 17627 1 45 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.675 0.698 25791 17628 1 45 . 1 1 36 36 ILE H H 36 7.503 7.503 7.929 -0.426 25791 17629 1 45 . 1 1 37 37 LEU N N 37 121.056 121.056 121.419 -0.363 25791 17630 1 45 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.057 0.252 25791 17631 1 45 . 1 1 37 37 LEU C C 37 178.348 178.348 178.134 0.214 25791 17632 1 45 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.629 0.105 25791 17633 1 45 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.690 -0.174 25791 17634 1 45 . 1 1 37 37 LEU H H 37 7.678 7.678 7.565 0.113 25791 17635 1 45 . 1 1 38 38 ILE N N 38 119.334 119.334 119.865 -0.531 25791 17636 1 45 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.485 -0.144 25791 17637 1 45 . 1 1 38 38 ILE C C 38 177.371 177.371 177.535 -0.164 25791 17638 1 45 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.826 1.259 25791 17639 1 45 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.708 0.641 25791 17640 1 45 . 1 1 38 38 ILE H H 38 8.702 8.702 8.454 0.248 25791 17641 1 45 . 1 1 39 39 ARG N N 39 117.798 117.798 120.290 -2.492 25791 17642 1 45 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.340 -0.125 25791 17643 1 45 . 1 1 39 39 ARG C C 39 179.555 179.555 178.660 0.895 25791 17644 1 45 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.051 0.408 25791 17645 1 45 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.694 0.058 25791 17646 1 45 . 1 1 39 39 ARG H H 39 7.739 7.739 8.436 -0.697 25791 17647 1 45 . 1 1 40 40 GLN N N 40 119.432 119.432 119.455 -0.023 25791 17648 1 45 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.075 0.062 25791 17649 1 45 . 1 1 40 40 GLN C C 40 179.522 179.522 178.728 0.794 25791 17650 1 45 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.746 0.514 25791 17651 1 45 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.360 -0.002 25791 17652 1 45 . 1 1 40 40 GLN H H 40 7.811 7.811 7.684 0.127 25791 17653 1 45 . 1 1 41 41 LEU N N 41 121.592 121.592 120.702 0.890 25791 17654 1 45 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.821 -0.134 25791 17655 1 45 . 1 1 41 41 LEU C C 41 178.974 178.974 179.052 -0.078 25791 17656 1 45 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.259 0.704 25791 17657 1 45 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.671 -0.819 25791 17658 1 45 . 1 1 41 41 LEU H H 41 8.648 8.648 8.276 0.372 25791 17659 1 45 . 1 1 42 42 GLN N N 42 119.054 119.054 118.926 0.128 25791 17660 1 45 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.333 0.211 25791 17661 1 45 . 1 1 42 42 GLN C C 42 180.176 180.176 178.902 1.274 25791 17662 1 45 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.512 -0.278 25791 17663 1 45 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.730 -0.810 25791 17664 1 45 . 1 1 42 42 GLN H H 42 8.641 8.641 8.681 -0.040 25791 17665 1 45 . 1 1 43 43 GLU N N 43 121.517 121.517 120.969 0.548 25791 17666 1 45 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.060 0.176 25791 17667 1 45 . 1 1 43 43 GLU C C 43 179.721 179.721 178.954 0.767 25791 17668 1 45 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.571 0.096 25791 17669 1 45 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.526 -0.268 25791 17670 1 45 . 1 1 43 43 GLU H H 43 8.111 8.111 8.137 -0.026 25791 17671 1 45 . 1 1 44 44 GLN N N 44 119.240 119.240 118.556 0.684 25791 17672 1 45 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.011 0.105 25791 17673 1 45 . 1 1 44 44 GLN C C 44 179.012 179.012 178.399 0.613 25791 17674 1 45 . 1 1 44 44 GLN CA C 44 59.149 59.149 59.046 0.103 25791 17675 1 45 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.808 0.045 25791 17676 1 45 . 1 1 44 44 GLN H H 44 8.372 8.372 7.966 0.406 25791 17677 1 45 . 1 1 45 45 HIS N N 45 121.705 121.705 120.491 1.214 25791 17678 1 45 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.284 -0.004 25791 17679 1 45 . 1 1 45 45 HIS C C 45 176.395 176.395 177.344 -0.949 25791 17680 1 45 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.072 1.287 25791 17681 1 45 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.572 1.754 25791 17682 1 45 . 1 1 45 45 HIS H H 45 9.472 9.472 8.563 0.909 25791 17683 1 45 . 1 1 46 46 TYR N N 46 119.039 119.039 120.039 -1.000 25791 17684 1 45 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.069 -0.220 25791 17685 1 45 . 1 1 46 46 TYR C C 46 176.664 176.664 178.119 -1.455 25791 17686 1 45 . 1 1 46 46 TYR CA C 46 62.251 62.251 62.038 0.213 25791 17687 1 45 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.413 -0.741 25791 17688 1 45 . 1 1 46 46 TYR H H 46 8.253 8.253 8.326 -0.073 25791 17689 1 45 . 1 1 47 47 GLN N N 47 116.407 116.407 117.822 -1.415 25791 17690 1 45 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.832 -0.048 25791 17691 1 45 . 1 1 47 47 GLN C C 47 179.048 179.048 178.421 0.627 25791 17692 1 45 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.160 -0.211 25791 17693 1 45 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.561 -0.380 25791 17694 1 45 . 1 1 47 47 GLN H H 47 7.814 7.814 8.166 -0.352 25791 17695 1 45 . 1 1 48 48 GLN N N 48 119.803 119.803 119.582 0.221 25791 17696 1 45 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.068 -0.091 25791 17697 1 45 . 1 1 48 48 GLN C C 48 177.741 177.741 178.150 -0.409 25791 17698 1 45 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.455 -0.141 25791 17699 1 45 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.438 -0.110 25791 17700 1 45 . 1 1 48 48 GLN H H 48 8.645 8.645 8.466 0.179 25791 17701 1 45 . 1 1 49 49 TYR N N 49 121.342 121.342 121.467 -0.125 25791 17702 1 45 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.155 -0.515 25791 17703 1 45 . 1 1 49 49 TYR C C 49 176.021 176.021 177.455 -1.434 25791 17704 1 45 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.075 1.034 25791 17705 1 45 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.140 0.767 25791 17706 1 45 . 1 1 49 49 TYR H H 49 9.105 9.105 8.536 0.569 25791 17707 1 45 . 1 1 50 50 MET N N 50 115.522 115.522 118.396 -2.874 25791 17708 1 45 . 1 1 50 50 MET HA H 50 4.040 4.040 3.435 0.605 25791 17709 1 45 . 1 1 50 50 MET C C 50 179.841 179.841 177.930 1.911 25791 17710 1 45 . 1 1 50 50 MET CA C 50 56.623 56.623 58.531 -1.908 25791 17711 1 45 . 1 1 50 50 MET CB C 50 30.099 30.099 32.125 -2.026 25791 17712 1 45 . 1 1 50 50 MET H H 50 8.060 8.060 7.958 0.102 25791 17713 1 45 . 1 1 51 51 GLN N N 51 118.942 118.942 118.842 0.100 25791 17714 1 45 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.806 0.259 25791 17715 1 45 . 1 1 51 51 GLN C C 51 178.707 178.707 178.306 0.401 25791 17716 1 45 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.300 -0.358 25791 17717 1 45 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.516 -0.027 25791 17718 1 45 . 1 1 51 51 GLN H H 51 7.830 7.830 7.921 -0.091 25791 17719 1 45 . 1 1 52 52 GLN N N 52 119.210 119.210 119.343 -0.133 25791 17720 1 45 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.080 -0.023 25791 17721 1 45 . 1 1 52 52 GLN C C 52 178.738 178.738 178.495 0.243 25791 17722 1 45 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.245 0.504 25791 17723 1 45 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.491 -0.088 25791 17724 1 45 . 1 1 52 52 GLN H H 52 8.187 8.187 7.863 0.324 25791 17725 1 45 . 1 1 53 53 LEU N N 53 121.233 121.233 121.573 -0.340 25791 17726 1 45 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.852 -0.011 25791 17727 1 45 . 1 1 53 53 LEU C C 53 179.191 179.191 178.062 1.129 25791 17728 1 45 . 1 1 53 53 LEU CA C 53 57.745 57.745 58.033 -0.289 25791 17729 1 45 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.289 0.577 25791 17730 1 45 . 1 1 53 53 LEU H H 53 8.441 8.441 8.239 0.202 25791 17731 1 45 . 1 1 54 54 TYR N N 54 118.505 118.505 118.386 0.119 25791 17732 1 45 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.906 0.412 25791 17733 1 45 . 1 1 54 54 TYR C C 54 177.535 177.535 177.687 -0.152 25791 17734 1 45 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.222 -1.746 25791 17735 1 45 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.229 -0.443 25791 17736 1 45 . 1 1 54 54 TYR H H 54 7.819 7.819 8.473 -0.654 25791 17737 1 45 . 1 1 55 55 GLN N N 55 117.299 117.299 117.694 -0.395 25791 17738 1 45 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.092 -0.193 25791 17739 1 45 . 1 1 55 55 GLN C C 55 179.041 179.041 178.346 0.695 25791 17740 1 45 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.904 -0.195 25791 17741 1 45 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.742 -0.527 25791 17742 1 45 . 1 1 55 55 GLN H H 55 7.735 7.735 7.772 -0.037 25791 17743 1 45 . 1 1 56 56 VAL N N 56 120.879 120.879 120.547 0.332 25791 17744 1 45 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.637 0.155 25791 17745 1 45 . 1 1 56 56 VAL C C 56 178.262 178.262 177.796 0.466 25791 17746 1 45 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.786 -0.844 25791 17747 1 45 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.515 0.364 25791 17748 1 45 . 1 1 56 56 VAL H H 56 8.014 8.014 7.903 0.111 25791 17749 1 45 . 1 1 57 57 GLN N N 57 120.513 120.513 120.093 0.420 25791 17750 1 45 . 1 1 57 57 GLN HA H 57 4.060 4.060 4.288 -0.228 25791 17751 1 45 . 1 1 57 57 GLN C C 57 178.772 178.772 178.420 0.352 25791 17752 1 45 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.255 0.361 25791 17753 1 45 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.980 0.006 25791 17754 1 45 . 1 1 57 57 GLN H H 57 8.103 8.103 8.213 -0.110 25791 17755 1 45 . 1 1 58 58 LEU N N 58 121.244 121.244 121.787 -0.543 25791 17756 1 45 . 1 1 58 58 LEU HA H 58 4.005 4.005 4.098 -0.093 25791 17757 1 45 . 1 1 58 58 LEU C C 58 179.134 179.134 178.240 0.894 25791 17758 1 45 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.215 0.291 25791 17759 1 45 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.549 0.254 25791 17760 1 45 . 1 1 58 58 LEU H H 58 8.176 8.176 7.648 0.528 25791 17761 1 45 . 1 1 59 59 ALA N N 59 121.608 121.608 121.533 0.075 25791 17762 1 45 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.901 0.264 25791 17763 1 45 . 1 1 59 59 ALA C C 59 180.497 180.497 179.838 0.659 25791 17764 1 45 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.274 -0.692 25791 17765 1 45 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.154 -0.101 25791 17766 1 45 . 1 1 59 59 ALA H H 59 7.833 7.833 8.179 -0.346 25791 17767 1 45 . 1 1 60 60 GLN N N 60 118.335 118.335 117.874 0.461 25791 17768 1 45 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.896 0.252 25791 17769 1 45 . 1 1 60 60 GLN C C 60 178.334 178.334 178.438 -0.104 25791 17770 1 45 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.957 -0.980 25791 17771 1 45 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.634 -0.199 25791 17772 1 45 . 1 1 60 60 GLN H H 60 8.081 8.081 8.232 -0.151 25791 17773 1 45 . 1 1 61 61 GLN N N 61 120.206 120.206 119.780 0.426 25791 17774 1 45 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.973 0.189 25791 17775 1 45 . 1 1 61 61 GLN C C 61 178.002 178.002 178.467 -0.465 25791 17776 1 45 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.910 -1.005 25791 17777 1 45 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.609 -0.030 25791 17778 1 45 . 1 1 61 61 GLN H H 61 8.111 8.111 8.086 0.025 25791 17779 1 45 . 1 1 62 62 GLN N N 62 118.980 118.980 119.186 -0.206 25791 17780 1 45 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.010 0.119 25791 17781 1 45 . 1 1 62 62 GLN C C 62 177.624 177.624 178.374 -0.750 25791 17782 1 45 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.835 -1.199 25791 17783 1 45 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.671 -0.035 25791 17784 1 45 . 1 1 62 62 GLN H H 62 8.203 8.203 8.459 -0.256 25791 17785 1 45 . 1 1 63 63 ALA N N 63 122.712 122.712 121.913 0.799 25791 17786 1 45 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.142 0.064 25791 17787 1 45 . 1 1 63 63 ALA C C 63 178.922 178.922 178.773 0.149 25791 17788 1 45 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.499 -0.603 25791 17789 1 45 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.180 0.279 25791 17790 1 45 . 1 1 63 63 ALA H H 63 8.004 8.004 8.037 -0.033 25791 17791 1 45 . 1 1 64 64 ALA N N 64 120.813 120.813 120.700 0.113 25791 17792 1 45 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.127 0.105 25791 17793 1 45 . 1 1 64 64 ALA C C 64 178.732 178.732 178.824 -0.092 25791 17794 1 45 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.172 -0.656 25791 17795 1 45 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.124 -0.494 25791 17796 1 45 . 1 1 64 64 ALA H H 64 7.837 7.837 7.601 0.236 25791 17797 1 45 . 1 1 65 65 LEU N N 65 119.196 119.196 119.267 -0.071 25791 17798 1 45 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.239 0.018 25791 17799 1 45 . 1 1 65 65 LEU C C 65 178.038 178.038 177.961 0.077 25791 17800 1 45 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.250 -0.428 25791 17801 1 45 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.178 0.086 25791 17802 1 45 . 1 1 65 65 LEU H H 65 7.765 7.765 7.737 0.028 25791 17803 1 45 . 1 1 66 66 GLN N N 66 119.365 119.365 115.795 3.570 25791 17804 1 45 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.898 0.377 25791 17805 1 45 . 1 1 66 66 GLN C C 66 176.120 176.120 175.560 0.560 25791 17806 1 45 . 1 1 66 66 GLN CA C 66 56.067 56.067 56.984 -0.917 25791 17807 1 45 . 1 1 66 66 GLN CB C 66 29.132 29.132 27.074 2.058 25791 17808 1 45 . 1 1 66 66 GLN H H 66 7.967 7.967 8.446 -0.479 25791 17809 1 45 . 1 1 67 67 LYS N N 67 121.521 121.521 116.598 4.923 25791 17810 1 45 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.397 -0.088 25791 17811 1 45 . 1 1 67 67 LYS C C 67 176.437 176.437 174.965 1.472 25791 17812 1 45 . 1 1 67 67 LYS CA C 67 56.389 56.389 56.554 -0.165 25791 17813 1 45 . 1 1 67 67 LYS CB C 67 33.041 33.041 33.700 -0.659 25791 17814 1 45 . 1 1 67 67 LYS H H 67 8.053 8.053 8.195 -0.142 25791 17815 1 45 . 1 1 68 68 GLN N N 68 121.970 121.970 118.956 3.014 25791 17816 1 45 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.537 -0.198 25791 17817 1 45 . 1 1 68 68 GLN C C 68 175.120 175.120 174.916 0.204 25791 17818 1 45 . 1 1 68 68 GLN CA C 68 56.000 56.000 56.127 -0.127 25791 17819 1 45 . 1 1 68 68 GLN CB C 68 29.498 29.498 29.875 -0.377 25791 17820 1 45 . 1 1 68 68 GLN H H 68 8.314 8.314 8.213 0.101 25791 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 1.688 0.236 1.685 25791 2 1 1 "Average Difference" HA 68 0.205 -0.036 0.204 25791 3 1 1 "Average Difference" C 67 0.856 -0.184 0.842 25791 4 1 1 "Average Difference" CA 67 0.875 0.066 0.880 25791 5 1 1 "Average Difference" CB 66 0.870 -0.043 0.876 25791 6 1 1 "Average Difference" HN 65 0.381 -0.038 0.383 25791 7 1 2 "Average Difference" N 65 1.719 0.294 1.707 25791 8 1 2 "Average Difference" HA 68 0.197 -0.040 0.194 25791 9 1 2 "Average Difference" C 67 0.817 -0.171 0.805 25791 10 1 2 "Average Difference" CA 67 0.871 -0.024 0.877 25791 11 1 2 "Average Difference" CB 66 0.861 -0.076 0.864 25791 12 1 2 "Average Difference" HN 65 0.342 0.018 0.345 25791 13 1 3 "Average Difference" N 65 1.690 0.309 1.675 25791 14 1 3 "Average Difference" HA 68 0.197 -0.046 0.193 25791 15 1 3 "Average Difference" C 67 0.857 -0.238 0.830 25791 16 1 3 "Average Difference" CA 67 0.720 -0.107 0.717 25791 17 1 3 "Average Difference" CB 66 0.776 0.020 0.781 25791 18 1 3 "Average Difference" HN 65 0.365 -0.020 0.367 25791 19 1 4 "Average Difference" N 65 1.689 0.206 1.690 25791 20 1 4 "Average Difference" HA 68 0.190 -0.046 0.186 25791 21 1 4 "Average Difference" C 67 0.831 -0.199 0.813 25791 22 1 4 "Average Difference" CA 67 0.803 -0.021 0.809 25791 23 1 4 "Average Difference" CB 66 0.799 -0.044 0.804 25791 24 1 4 "Average Difference" HN 65 0.370 -0.035 0.371 25791 25 1 5 "Average Difference" N 65 1.789 0.211 1.791 25791 26 1 5 "Average Difference" HA 68 0.193 -0.033 0.192 25791 27 1 5 "Average Difference" C 67 0.864 -0.145 0.859 25791 28 1 5 "Average Difference" CA 67 0.815 -0.012 0.821 25791 29 1 5 "Average Difference" CB 66 0.880 -0.082 0.883 25791 30 1 5 "Average Difference" HN 65 0.383 -0.049 0.383 25791 31 1 6 "Average Difference" N 65 1.580 0.351 1.553 25791 32 1 6 "Average Difference" HA 68 0.195 -0.041 0.192 25791 33 1 6 "Average Difference" C 67 0.839 -0.215 0.817 25791 34 1 6 "Average Difference" CA 67 0.725 -0.005 0.731 25791 35 1 6 "Average Difference" CB 66 0.788 -0.056 0.792 25791 36 1 6 "Average Difference" HN 65 0.361 0.035 0.362 25791 37 1 7 "Average Difference" N 65 1.526 0.283 1.511 25791 38 1 7 "Average Difference" HA 68 0.183 -0.035 0.181 25791 39 1 7 "Average Difference" C 67 0.853 -0.179 0.841 25791 40 1 7 "Average Difference" CA 67 0.802 0.019 0.808 25791 41 1 7 "Average Difference" CB 66 0.819 -0.051 0.823 25791 42 1 7 "Average Difference" HN 65 0.360 -0.004 0.363 25791 43 1 8 "Average Difference" N 65 1.900 0.135 1.910 25791 44 1 8 "Average Difference" HA 68 0.202 -0.033 0.201 25791 45 1 8 "Average Difference" C 67 0.900 -0.178 0.888 25791 46 1 8 "Average Difference" CA 67 0.829 -0.027 0.835 25791 47 1 8 "Average Difference" CB 66 0.878 -0.116 0.877 25791 48 1 8 "Average Difference" HN 65 0.439 -0.016 0.442 25791 49 1 9 "Average Difference" N 65 1.777 0.312 1.763 25791 50 1 9 "Average Difference" HA 68 0.206 -0.032 0.205 25791 51 1 9 "Average Difference" C 67 0.860 -0.183 0.847 25791 52 1 9 "Average Difference" CA 67 0.807 -0.043 0.812 25791 53 1 9 "Average Difference" CB 66 0.890 -0.061 0.895 25791 54 1 9 "Average Difference" HN 65 0.394 -0.014 0.396 25791 55 1 10 "Average Difference" N 65 1.719 0.206 1.720 25791 56 1 10 "Average Difference" HA 68 0.205 -0.025 0.205 25791 57 1 10 "Average Difference" C 67 0.858 -0.179 0.846 25791 58 1 10 "Average Difference" CA 67 0.869 -0.083 0.871 25791 59 1 10 "Average Difference" CB 66 0.873 -0.022 0.880 25791 60 1 10 "Average Difference" HN 65 0.405 -0.039 0.406 25791 61 1 11 "Average Difference" N 65 1.785 0.253 1.780 25791 62 1 11 "Average Difference" HA 68 0.198 -0.024 0.198 25791 63 1 11 "Average Difference" C 67 0.897 -0.193 0.882 25791 64 1 11 "Average Difference" CA 67 0.765 -0.066 0.768 25791 65 1 11 "Average Difference" CB 66 0.791 -0.051 0.796 25791 66 1 11 "Average Difference" HN 65 0.421 -0.010 0.424 25791 67 1 12 "Average Difference" N 65 1.742 0.200 1.744 25791 68 1 12 "Average Difference" HA 68 0.209 -0.024 0.209 25791 69 1 12 "Average Difference" C 67 0.841 -0.129 0.837 25791 70 1 12 "Average Difference" CA 67 0.922 -0.023 0.929 25791 71 1 12 "Average Difference" CB 66 0.877 -0.113 0.877 25791 72 1 12 "Average Difference" HN 65 0.406 -0.004 0.409 25791 73 1 13 "Average Difference" N 65 1.708 0.279 1.699 25791 74 1 13 "Average Difference" HA 68 0.188 -0.030 0.187 25791 75 1 13 "Average Difference" C 67 0.863 -0.217 0.841 25791 76 1 13 "Average Difference" CA 67 0.806 0.000 0.812 25791 77 1 13 "Average Difference" CB 66 0.916 0.027 0.922 25791 78 1 13 "Average Difference" HN 65 0.353 -0.016 0.355 25791 79 1 14 "Average Difference" N 65 1.805 0.228 1.805 25791 80 1 14 "Average Difference" HA 68 0.196 -0.032 0.195 25791 81 1 14 "Average Difference" C 67 0.837 -0.174 0.825 25791 82 1 14 "Average Difference" CA 67 0.853 0.003 0.860 25791 83 1 14 "Average Difference" CB 66 0.754 -0.040 0.759 25791 84 1 14 "Average Difference" HN 65 0.408 -0.031 0.410 25791 85 1 15 "Average Difference" N 65 1.714 0.193 1.716 25791 86 1 15 "Average Difference" HA 68 0.195 -0.037 0.193 25791 87 1 15 "Average Difference" C 67 0.880 -0.143 0.875 25791 88 1 15 "Average Difference" CA 67 0.905 0.030 0.911 25791 89 1 15 "Average Difference" CB 66 0.861 -0.033 0.867 25791 90 1 15 "Average Difference" HN 65 0.384 -0.025 0.386 25791 91 1 16 "Average Difference" N 65 1.662 0.317 1.644 25791 92 1 16 "Average Difference" HA 68 0.194 -0.036 0.192 25791 93 1 16 "Average Difference" C 67 0.849 -0.159 0.841 25791 94 1 16 "Average Difference" CA 67 0.853 -0.012 0.860 25791 95 1 16 "Average Difference" CB 66 0.860 -0.070 0.863 25791 96 1 16 "Average Difference" HN 65 0.382 -0.037 0.383 25791 97 1 17 "Average Difference" N 65 1.741 0.180 1.745 25791 98 1 17 "Average Difference" HA 68 0.196 -0.034 0.194 25791 99 1 17 "Average Difference" C 67 0.862 -0.139 0.857 25791 100 1 17 "Average Difference" CA 67 0.847 0.002 0.853 25791 101 1 17 "Average Difference" CB 66 0.906 -0.100 0.907 25791 102 1 17 "Average Difference" HN 65 0.430 -0.049 0.431 25791 103 1 18 "Average Difference" N 65 1.645 0.333 1.624 25791 104 1 18 "Average Difference" HA 68 0.213 -0.032 0.212 25791 105 1 18 "Average Difference" C 67 0.869 -0.208 0.850 25791 106 1 18 "Average Difference" CA 67 0.769 -0.072 0.772 25791 107 1 18 "Average Difference" CB 66 0.872 -0.056 0.876 25791 108 1 18 "Average Difference" HN 65 0.357 -0.033 0.359 25791 109 1 19 "Average Difference" N 65 1.802 0.295 1.791 25791 110 1 19 "Average Difference" HA 68 0.200 -0.030 0.199 25791 111 1 19 "Average Difference" C 67 0.866 -0.182 0.853 25791 112 1 19 "Average Difference" CA 67 0.810 -0.059 0.814 25791 113 1 19 "Average Difference" CB 66 0.842 -0.029 0.848 25791 114 1 19 "Average Difference" HN 65 0.415 -0.011 0.418 25791 115 1 20 "Average Difference" N 65 1.707 0.234 1.704 25791 116 1 20 "Average Difference" HA 68 0.202 -0.025 0.202 25791 117 1 20 "Average Difference" C 67 0.819 -0.185 0.804 25791 118 1 20 "Average Difference" CA 67 0.813 -0.078 0.815 25791 119 1 20 "Average Difference" CB 66 0.835 -0.078 0.838 25791 120 1 20 "Average Difference" HN 65 0.395 -0.033 0.396 25791 121 1 21 "Average Difference" N 65 1.853 0.122 1.863 25791 122 1 21 "Average Difference" HA 68 0.210 -0.047 0.206 25791 123 1 21 "Average Difference" C 67 0.835 -0.204 0.816 25791 124 1 21 "Average Difference" CA 67 0.826 0.000 0.832 25791 125 1 21 "Average Difference" CB 66 0.837 -0.026 0.843 25791 126 1 21 "Average Difference" HN 65 0.407 0.014 0.410 25791 127 1 22 "Average Difference" N 65 1.551 0.220 1.548 25791 128 1 22 "Average Difference" HA 68 0.203 -0.037 0.201 25791 129 1 22 "Average Difference" C 67 0.855 -0.231 0.829 25791 130 1 22 "Average Difference" CA 67 0.786 -0.013 0.792 25791 131 1 22 "Average Difference" CB 66 0.870 -0.058 0.875 25791 132 1 22 "Average Difference" HN 65 0.401 -0.055 0.401 25791 133 1 23 "Average Difference" N 65 1.707 0.233 1.705 25791 134 1 23 "Average Difference" HA 68 0.201 -0.021 0.201 25791 135 1 23 "Average Difference" C 67 0.845 -0.137 0.840 25791 136 1 23 "Average Difference" CA 67 0.814 -0.043 0.819 25791 137 1 23 "Average Difference" CB 66 0.847 -0.063 0.851 25791 138 1 23 "Average Difference" HN 65 0.379 -0.074 0.374 25791 139 1 24 "Average Difference" N 65 1.608 0.150 1.614 25791 140 1 24 "Average Difference" HA 68 0.191 -0.044 0.187 25791 141 1 24 "Average Difference" C 67 0.865 -0.148 0.858 25791 142 1 24 "Average Difference" CA 67 0.793 -0.003 0.799 25791 143 1 24 "Average Difference" CB 66 0.765 -0.042 0.770 25791 144 1 24 "Average Difference" HN 65 0.375 -0.057 0.374 25791 145 1 25 "Average Difference" N 65 1.706 0.233 1.703 25791 146 1 25 "Average Difference" HA 68 0.201 -0.021 0.201 25791 147 1 25 "Average Difference" C 67 0.845 -0.137 0.840 25791 148 1 25 "Average Difference" CA 67 0.814 -0.043 0.819 25791 149 1 25 "Average Difference" CB 66 0.847 -0.063 0.851 25791 150 1 25 "Average Difference" HN 65 0.379 -0.074 0.374 25791 151 1 26 "Average Difference" N 65 1.753 0.147 1.761 25791 152 1 26 "Average Difference" HA 68 0.201 -0.047 0.197 25791 153 1 26 "Average Difference" C 67 0.829 -0.173 0.817 25791 154 1 26 "Average Difference" CA 67 0.876 -0.008 0.883 25791 155 1 26 "Average Difference" CB 66 0.839 -0.099 0.840 25791 156 1 26 "Average Difference" HN 65 0.385 -0.047 0.385 25791 157 1 27 "Average Difference" N 65 1.559 0.237 1.553 25791 158 1 27 "Average Difference" HA 68 0.202 -0.037 0.200 25791 159 1 27 "Average Difference" C 67 0.847 -0.194 0.831 25791 160 1 27 "Average Difference" CA 67 0.778 -0.047 0.783 25791 161 1 27 "Average Difference" CB 66 0.778 0.005 0.784 25791 162 1 27 "Average Difference" HN 65 0.373 -0.017 0.375 25791 163 1 28 "Average Difference" N 65 1.627 0.336 1.604 25791 164 1 28 "Average Difference" HA 68 0.192 -0.033 0.190 25791 165 1 28 "Average Difference" C 67 0.818 -0.167 0.806 25791 166 1 28 "Average Difference" CA 67 0.781 -0.081 0.782 25791 167 1 28 "Average Difference" CB 66 0.848 -0.088 0.850 25791 168 1 28 "Average Difference" HN 65 0.354 -0.071 0.350 25791 169 1 29 "Average Difference" N 65 1.544 0.283 1.530 25791 170 1 29 "Average Difference" HA 68 0.193 -0.046 0.188 25791 171 1 29 "Average Difference" C 67 0.836 -0.201 0.818 25791 172 1 29 "Average Difference" CA 67 0.799 0.026 0.804 25791 173 1 29 "Average Difference" CB 66 0.823 -0.075 0.826 25791 174 1 29 "Average Difference" HN 65 0.319 -0.021 0.321 25791 175 1 30 "Average Difference" N 65 1.753 0.146 1.760 25791 176 1 30 "Average Difference" HA 68 0.201 -0.047 0.197 25791 177 1 30 "Average Difference" C 67 0.829 -0.172 0.817 25791 178 1 30 "Average Difference" CA 67 0.876 -0.008 0.882 25791 179 1 30 "Average Difference" CB 66 0.839 -0.099 0.840 25791 180 1 30 "Average Difference" HN 65 0.385 -0.047 0.385 25791 181 1 31 "Average Difference" N 65 1.544 0.283 1.530 25791 182 1 31 "Average Difference" HA 68 0.193 -0.046 0.188 25791 183 1 31 "Average Difference" C 67 0.836 -0.201 0.817 25791 184 1 31 "Average Difference" CA 67 0.798 0.026 0.804 25791 185 1 31 "Average Difference" CB 66 0.823 -0.075 0.826 25791 186 1 31 "Average Difference" HN 65 0.321 -0.019 0.323 25791 187 1 32 "Average Difference" N 65 1.559 0.237 1.553 25791 188 1 32 "Average Difference" HA 68 0.202 -0.036 0.200 25791 189 1 32 "Average Difference" C 67 0.847 -0.194 0.831 25791 190 1 32 "Average Difference" CA 67 0.779 -0.047 0.783 25791 191 1 32 "Average Difference" CB 66 0.778 0.005 0.784 25791 192 1 32 "Average Difference" HN 65 0.373 -0.017 0.375 25791 193 1 33 "Average Difference" N 65 1.728 0.145 1.735 25791 194 1 33 "Average Difference" HA 68 0.179 -0.046 0.174 25791 195 1 33 "Average Difference" C 67 0.857 -0.234 0.830 25791 196 1 33 "Average Difference" CA 67 0.779 0.012 0.785 25791 197 1 33 "Average Difference" CB 66 0.779 -0.003 0.785 25791 198 1 33 "Average Difference" HN 65 0.389 -0.017 0.391 25791 199 1 34 "Average Difference" N 65 1.727 0.146 1.734 25791 200 1 34 "Average Difference" HA 68 0.179 -0.046 0.174 25791 201 1 34 "Average Difference" C 67 0.857 -0.234 0.830 25791 202 1 34 "Average Difference" CA 67 0.779 0.012 0.785 25791 203 1 34 "Average Difference" CB 66 0.779 -0.003 0.785 25791 204 1 34 "Average Difference" HN 65 0.389 -0.017 0.392 25791 205 1 35 "Average Difference" N 65 1.766 0.106 1.777 25791 206 1 35 "Average Difference" HA 68 0.202 -0.031 0.202 25791 207 1 35 "Average Difference" C 67 0.823 -0.176 0.810 25791 208 1 35 "Average Difference" CA 67 0.846 -0.040 0.851 25791 209 1 35 "Average Difference" CB 66 0.815 0.063 0.819 25791 210 1 35 "Average Difference" HN 65 0.386 -0.061 0.384 25791 211 1 36 "Average Difference" N 65 1.558 0.220 1.554 25791 212 1 36 "Average Difference" HA 68 0.199 -0.022 0.199 25791 213 1 36 "Average Difference" C 67 0.836 -0.190 0.821 25791 214 1 36 "Average Difference" CA 67 0.741 -0.076 0.742 25791 215 1 36 "Average Difference" CB 66 0.803 -0.044 0.808 25791 216 1 36 "Average Difference" HN 65 0.350 -0.010 0.353 25791 217 1 37 "Average Difference" N 65 1.650 0.174 1.654 25791 218 1 37 "Average Difference" HA 68 0.202 -0.039 0.200 25791 219 1 37 "Average Difference" C 67 0.857 -0.189 0.842 25791 220 1 37 "Average Difference" CA 67 0.767 -0.058 0.771 25791 221 1 37 "Average Difference" CB 66 0.918 -0.118 0.918 25791 222 1 37 "Average Difference" HN 65 0.388 -0.024 0.391 25791 223 1 38 "Average Difference" N 65 1.559 0.220 1.555 25791 224 1 38 "Average Difference" HA 68 0.199 -0.022 0.199 25791 225 1 38 "Average Difference" C 67 0.836 -0.190 0.820 25791 226 1 38 "Average Difference" CA 67 0.740 -0.076 0.742 25791 227 1 38 "Average Difference" CB 66 0.803 -0.044 0.808 25791 228 1 38 "Average Difference" HN 65 0.350 -0.010 0.353 25791 229 1 39 "Average Difference" N 65 1.650 0.174 1.654 25791 230 1 39 "Average Difference" HA 68 0.202 -0.039 0.200 25791 231 1 39 "Average Difference" C 67 0.857 -0.189 0.842 25791 232 1 39 "Average Difference" CA 67 0.767 -0.058 0.770 25791 233 1 39 "Average Difference" CB 66 0.918 -0.119 0.918 25791 234 1 39 "Average Difference" HN 65 0.389 -0.024 0.391 25791 235 1 40 "Average Difference" N 65 1.793 0.233 1.791 25791 236 1 40 "Average Difference" HA 68 0.217 -0.025 0.217 25791 237 1 40 "Average Difference" C 67 0.784 -0.188 0.767 25791 238 1 40 "Average Difference" CA 67 0.768 -0.083 0.770 25791 239 1 40 "Average Difference" CB 66 0.918 -0.149 0.913 25791 240 1 40 "Average Difference" HN 65 0.368 0.005 0.371 25791 241 1 41 "Average Difference" N 65 1.634 0.200 1.634 25791 242 1 41 "Average Difference" HA 68 0.192 -0.034 0.190 25791 243 1 41 "Average Difference" C 67 0.887 -0.225 0.864 25791 244 1 41 "Average Difference" CA 67 0.816 -0.039 0.821 25791 245 1 41 "Average Difference" CB 66 0.769 -0.039 0.774 25791 246 1 41 "Average Difference" HN 65 0.384 -0.027 0.386 25791 247 1 42 "Average Difference" N 65 1.633 0.200 1.634 25791 248 1 42 "Average Difference" HA 68 0.192 -0.034 0.190 25791 249 1 42 "Average Difference" C 67 0.887 -0.225 0.864 25791 250 1 42 "Average Difference" CA 67 0.816 -0.039 0.821 25791 251 1 42 "Average Difference" CB 66 0.770 -0.039 0.774 25791 252 1 42 "Average Difference" HN 65 0.384 -0.027 0.386 25791 253 1 43 "Average Difference" N 65 1.715 0.190 1.717 25791 254 1 43 "Average Difference" HA 68 0.199 -0.033 0.198 25791 255 1 43 "Average Difference" C 67 0.854 -0.184 0.840 25791 256 1 43 "Average Difference" CA 67 0.768 -0.026 0.774 25791 257 1 43 "Average Difference" CB 66 0.839 -0.062 0.843 25791 258 1 43 "Average Difference" HN 65 0.366 -0.025 0.368 25791 259 1 44 "Average Difference" N 65 1.574 0.269 1.563 25791 260 1 44 "Average Difference" HA 68 0.185 -0.034 0.183 25791 261 1 44 "Average Difference" C 67 0.877 -0.221 0.855 25791 262 1 44 "Average Difference" CA 67 0.751 -0.074 0.753 25791 263 1 44 "Average Difference" CB 66 0.907 0.067 0.911 25791 264 1 44 "Average Difference" HN 65 0.355 -0.045 0.355 25791 265 1 45 "Average Difference" N 65 1.559 0.261 1.549 25791 266 1 45 "Average Difference" HA 68 0.205 -0.025 0.205 25791 267 1 45 "Average Difference" C 67 0.842 -0.271 0.803 25791 268 1 45 "Average Difference" CA 67 0.751 0.003 0.757 25791 269 1 45 "Average Difference" CB 66 0.805 0.031 0.811 25791 270 1 45 "Average Difference" HN 65 0.346 -0.021 0.348 25791 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 25791 _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 4.295 0.152 25791 2 1 . 1 1 2 2 GLN C C 2 176.144 176.144 176.876 -0.732 25791 3 1 . 1 1 2 2 GLN CA C 2 56.209 56.209 56.909 -0.700 25791 4 1 . 1 1 2 2 GLN CB C 2 29.459 29.459 28.829 0.630 25791 5 1 . 1 1 3 3 GLN N N 3 122.052 122.052 120.420 1.632 25791 6 1 . 1 1 3 3 GLN HA H 3 4.323 4.323 4.108 0.215 25791 7 1 . 1 1 3 3 GLN C C 3 176.988 176.988 177.826 -0.838 25791 8 1 . 1 1 3 3 GLN CA C 3 57.403 57.403 58.491 -1.088 25791 9 1 . 1 1 3 3 GLN CB C 3 29.239 29.239 28.265 0.974 25791 10 1 . 1 1 3 3 GLN H H 3 8.780 8.780 8.696 0.084 25791 11 1 . 1 1 4 4 LYS N N 4 121.855 121.855 119.869 1.986 25791 12 1 . 1 1 4 4 LYS HA H 4 4.004 4.004 4.060 -0.056 25791 13 1 . 1 1 4 4 LYS C C 4 177.638 177.638 178.495 -0.857 25791 14 1 . 1 1 4 4 LYS CA C 4 60.239 60.239 59.172 1.067 25791 15 1 . 1 1 4 4 LYS CB C 4 32.699 32.699 32.041 0.658 25791 16 1 . 1 1 4 4 LYS H H 4 8.528 8.528 8.052 0.476 25791 17 1 . 1 1 5 5 GLN N N 5 116.397 116.397 118.160 -1.763 25791 18 1 . 1 1 5 5 GLN HA H 5 3.941 3.941 3.914 0.027 25791 19 1 . 1 1 5 5 GLN C C 5 178.761 178.761 178.412 0.349 25791 20 1 . 1 1 5 5 GLN CA C 5 59.349 59.349 58.999 0.350 25791 21 1 . 1 1 5 5 GLN CB C 5 27.950 27.950 28.330 -0.380 25791 22 1 . 1 1 5 5 GLN H H 5 8.223 8.223 7.848 0.375 25791 23 1 . 1 1 6 6 GLN N N 6 119.262 119.262 118.628 0.634 25791 24 1 . 1 1 6 6 GLN HA H 6 4.128 4.128 4.111 0.017 25791 25 1 . 1 1 6 6 GLN C C 6 179.018 179.018 178.328 0.690 25791 26 1 . 1 1 6 6 GLN CA C 6 59.089 59.089 58.680 0.409 25791 27 1 . 1 1 6 6 GLN CB C 6 28.710 28.710 28.094 0.616 25791 28 1 . 1 1 6 6 GLN H H 6 7.848 7.848 7.850 -0.002 25791 29 1 . 1 1 7 7 ILE N N 7 121.296 121.296 121.558 -0.262 25791 30 1 . 1 1 7 7 ILE HA H 7 3.583 3.583 3.843 -0.260 25791 31 1 . 1 1 7 7 ILE C C 7 177.833 177.833 178.149 -0.316 25791 32 1 . 1 1 7 7 ILE CA C 7 65.129 65.129 63.118 2.011 25791 33 1 . 1 1 7 7 ILE CB C 7 38.206 38.206 37.121 1.085 25791 34 1 . 1 1 7 7 ILE H H 7 8.095 8.095 7.318 0.777 25791 35 1 . 1 1 8 8 MET N N 8 117.603 117.603 118.989 -1.386 25791 36 1 . 1 1 8 8 MET HA H 8 3.985 3.985 4.032 -0.047 25791 37 1 . 1 1 8 8 MET C C 8 177.355 177.355 178.789 -1.434 25791 38 1 . 1 1 8 8 MET CA C 8 59.932 59.932 59.529 0.403 25791 39 1 . 1 1 8 8 MET CB C 8 32.721 32.721 31.952 0.770 25791 40 1 . 1 1 8 8 MET H H 8 8.672 8.672 8.348 0.324 25791 41 1 . 1 1 9 9 ALA N N 9 118.774 118.774 121.541 -2.767 25791 42 1 . 1 1 9 9 ALA HA H 9 4.046 4.046 4.024 0.022 25791 43 1 . 1 1 9 9 ALA C C 9 180.546 180.546 179.214 1.332 25791 44 1 . 1 1 9 9 ALA CA C 9 55.385 55.385 55.134 0.251 25791 45 1 . 1 1 9 9 ALA CB C 9 17.898 17.898 17.985 -0.087 25791 46 1 . 1 1 9 9 ALA H H 9 7.795 7.795 8.265 -0.470 25791 47 1 . 1 1 10 10 ALA N N 10 120.854 120.854 121.586 -0.732 25791 48 1 . 1 1 10 10 ALA HA H 10 4.205 4.205 4.077 0.128 25791 49 1 . 1 1 10 10 ALA C C 10 181.200 181.200 179.508 1.692 25791 50 1 . 1 1 10 10 ALA CA C 10 55.012 55.012 54.722 0.290 25791 51 1 . 1 1 10 10 ALA CB C 10 19.261 19.261 18.389 0.872 25791 52 1 . 1 1 10 10 ALA H H 10 7.438 7.438 7.613 -0.175 25791 53 1 . 1 1 11 11 LEU N N 11 120.775 120.775 118.741 2.034 25791 54 1 . 1 1 11 11 LEU HA H 11 3.748 3.748 3.760 -0.012 25791 55 1 . 1 1 11 11 LEU C C 11 179.041 179.041 179.230 -0.189 25791 56 1 . 1 1 11 11 LEU CA C 11 58.346 58.346 57.898 0.448 25791 57 1 . 1 1 11 11 LEU CB C 11 39.977 39.977 41.239 -1.262 25791 58 1 . 1 1 11 11 LEU H H 11 8.757 8.757 8.575 0.182 25791 59 1 . 1 1 12 12 ASN N N 12 116.313 116.313 117.582 -1.269 25791 60 1 . 1 1 12 12 ASN HA H 12 4.564 4.564 4.527 0.037 25791 61 1 . 1 1 12 12 ASN C C 12 178.900 178.900 177.334 1.566 25791 62 1 . 1 1 12 12 ASN CA C 12 54.065 54.065 56.000 -1.935 25791 63 1 . 1 1 12 12 ASN CB C 12 36.993 36.993 38.444 -1.451 25791 64 1 . 1 1 12 12 ASN H H 12 8.850 8.850 8.443 0.407 25791 65 1 . 1 1 13 13 SER N N 13 114.747 114.747 115.636 -0.889 25791 66 1 . 1 1 13 13 SER HA H 13 4.370 4.370 4.182 0.188 25791 67 1 . 1 1 13 13 SER C C 13 176.515 176.515 176.806 -0.291 25791 68 1 . 1 1 13 13 SER CA C 13 61.141 61.141 61.495 -0.354 25791 69 1 . 1 1 13 13 SER CB C 13 63.044 63.044 63.223 -0.179 25791 70 1 . 1 1 13 13 SER H H 13 7.672 7.672 7.828 -0.156 25791 71 1 . 1 1 14 14 GLN N N 14 119.954 119.954 118.404 1.550 25791 72 1 . 1 1 14 14 GLN HA H 14 4.218 4.218 4.196 0.022 25791 73 1 . 1 1 14 14 GLN C C 14 178.208 178.208 176.988 1.220 25791 74 1 . 1 1 14 14 GLN CA C 14 57.749 57.749 58.051 -0.302 25791 75 1 . 1 1 14 14 GLN CB C 14 28.700 28.700 28.751 -0.051 25791 76 1 . 1 1 14 14 GLN H H 14 7.573 7.573 7.836 -0.263 25791 77 1 . 1 1 15 15 THR N N 15 107.493 107.493 107.438 0.055 25791 78 1 . 1 1 15 15 THR HA H 15 3.899 3.899 4.410 -0.511 25791 79 1 . 1 1 15 15 THR C C 15 174.683 174.683 174.603 0.080 25791 80 1 . 1 1 15 15 THR CA C 15 61.551 61.551 60.282 1.269 25791 81 1 . 1 1 15 15 THR CB C 15 69.226 69.226 69.342 -0.116 25791 82 1 . 1 1 15 15 THR H H 15 7.741 7.741 7.374 0.367 25791 83 1 . 1 1 16 16 ALA N N 16 124.034 124.034 126.071 -2.037 25791 84 1 . 1 1 16 16 ALA HA H 16 4.135 4.135 4.024 0.111 25791 85 1 . 1 1 16 16 ALA C C 16 179.899 179.899 178.623 1.276 25791 86 1 . 1 1 16 16 ALA CA C 16 56.207 56.207 55.716 0.491 25791 87 1 . 1 1 16 16 ALA CB C 16 18.724 18.724 18.071 0.653 25791 88 1 . 1 1 16 16 ALA H H 16 6.873 6.873 7.410 -0.537 25791 89 1 . 1 1 17 17 VAL N N 17 117.150 117.150 117.953 -0.803 25791 90 1 . 1 1 17 17 VAL HA H 17 3.714 3.714 3.738 -0.024 25791 91 1 . 1 1 17 17 VAL C C 17 178.537 178.537 177.349 1.188 25791 92 1 . 1 1 17 17 VAL CA C 17 66.508 66.508 65.168 1.340 25791 93 1 . 1 1 17 17 VAL CB C 17 31.693 31.693 31.518 0.175 25791 94 1 . 1 1 17 17 VAL H H 17 8.162 8.162 8.405 -0.243 25791 95 1 . 1 1 18 18 GLN N N 18 119.489 119.489 119.502 -0.013 25791 96 1 . 1 1 18 18 GLN HA H 18 4.057 4.057 4.078 -0.021 25791 97 1 . 1 1 18 18 GLN C C 18 180.429 180.429 178.851 1.578 25791 98 1 . 1 1 18 18 GLN CA C 18 59.699 59.699 59.202 0.497 25791 99 1 . 1 1 18 18 GLN CB C 18 29.186 29.186 28.473 0.713 25791 100 1 . 1 1 18 18 GLN H H 18 8.451 8.451 7.981 0.470 25791 101 1 . 1 1 19 19 PHE N N 19 117.940 117.940 118.876 -0.936 25791 102 1 . 1 1 19 19 PHE HA H 19 4.830 4.830 4.470 0.360 25791 103 1 . 1 1 19 19 PHE C C 19 177.858 177.858 178.270 -0.412 25791 104 1 . 1 1 19 19 PHE CA C 19 57.029 57.029 58.598 -1.569 25791 105 1 . 1 1 19 19 PHE CB C 19 35.905 35.905 38.194 -2.289 25791 106 1 . 1 1 19 19 PHE H H 19 8.924 8.924 8.702 0.222 25791 107 1 . 1 1 20 20 GLN N N 20 120.297 120.297 119.504 0.793 25791 108 1 . 1 1 20 20 GLN HA H 20 4.106 4.106 4.010 0.096 25791 109 1 . 1 1 20 20 GLN C C 20 178.986 178.986 178.686 0.300 25791 110 1 . 1 1 20 20 GLN CA C 20 59.563 59.563 59.650 -0.087 25791 111 1 . 1 1 20 20 GLN CB C 20 27.895 27.895 28.568 -0.673 25791 112 1 . 1 1 20 20 GLN H H 20 8.264 8.264 8.208 0.056 25791 113 1 . 1 1 21 21 GLN N N 21 118.595 118.595 119.108 -0.513 25791 114 1 . 1 1 21 21 GLN HA H 21 4.082 4.082 4.083 -0.001 25791 115 1 . 1 1 21 21 GLN C C 21 178.806 178.806 178.587 0.219 25791 116 1 . 1 1 21 21 GLN CA C 21 59.170 59.170 58.876 0.294 25791 117 1 . 1 1 21 21 GLN CB C 21 28.196 28.196 28.724 -0.528 25791 118 1 . 1 1 21 21 GLN H H 21 8.527 8.527 8.420 0.107 25791 119 1 . 1 1 22 22 TYR N N 22 119.594 119.594 121.409 -1.815 25791 120 1 . 1 1 22 22 TYR HA H 22 4.247 4.247 4.263 -0.016 25791 121 1 . 1 1 22 22 TYR C C 22 177.789 177.789 177.198 0.591 25791 122 1 . 1 1 22 22 TYR CA C 22 61.712 61.712 60.432 1.280 25791 123 1 . 1 1 22 22 TYR CB C 22 38.724 38.724 38.376 0.348 25791 124 1 . 1 1 22 22 TYR H H 22 7.843 7.843 8.042 -0.199 25791 125 1 . 1 1 23 23 ALA N N 23 120.663 120.663 121.371 -0.708 25791 126 1 . 1 1 23 23 ALA HA H 23 3.857 3.857 3.764 0.093 25791 127 1 . 1 1 23 23 ALA C C 23 179.319 179.319 178.747 0.572 25791 128 1 . 1 1 23 23 ALA CA C 23 55.589 55.589 54.944 0.645 25791 129 1 . 1 1 23 23 ALA CB C 23 18.482 18.482 18.184 0.298 25791 130 1 . 1 1 23 23 ALA H H 23 8.612 8.612 8.622 -0.010 25791 131 1 . 1 1 24 24 ALA N N 24 119.002 119.002 120.676 -1.674 25791 132 1 . 1 1 24 24 ALA HA H 24 3.938 3.938 4.105 -0.167 25791 133 1 . 1 1 24 24 ALA C C 24 178.987 178.987 179.013 -0.026 25791 134 1 . 1 1 24 24 ALA CA C 24 54.317 54.317 54.227 0.090 25791 135 1 . 1 1 24 24 ALA CB C 24 17.891 17.891 18.542 -0.651 25791 136 1 . 1 1 24 24 ALA H H 24 8.168 8.168 8.079 0.089 25791 137 1 . 1 1 25 25 GLN N N 25 115.599 115.599 116.821 -1.222 25791 138 1 . 1 1 25 25 GLN HA H 25 4.004 4.004 4.033 -0.029 25791 139 1 . 1 1 25 25 GLN C C 25 177.818 177.818 178.165 -0.347 25791 140 1 . 1 1 25 25 GLN CA C 25 57.454 57.454 58.071 -0.617 25791 141 1 . 1 1 25 25 GLN CB C 25 28.455 28.455 28.846 -0.391 25791 142 1 . 1 1 25 25 GLN H H 25 7.300 7.300 7.625 -0.325 25791 143 1 . 1 1 26 26 GLN N N 26 116.989 116.989 116.728 0.261 25791 144 1 . 1 1 26 26 GLN HA H 26 3.704 3.704 3.863 -0.159 25791 145 1 . 1 1 26 26 GLN C C 26 175.979 175.979 175.957 0.022 25791 146 1 . 1 1 26 26 GLN CA C 26 56.788 56.788 56.928 -0.140 25791 147 1 . 1 1 26 26 GLN CB C 26 29.080 29.080 29.565 -0.485 25791 148 1 . 1 1 26 26 GLN H H 26 7.401 7.401 7.413 -0.012 25791 149 1 . 1 1 27 27 TYR N N 27 114.712 114.712 117.715 -3.003 25791 150 1 . 1 1 27 27 TYR HA H 27 5.078 5.078 4.889 0.189 25791 151 1 . 1 1 27 27 TYR C C 27 172.931 172.931 173.646 -0.715 25791 152 1 . 1 1 27 27 TYR CA C 27 55.167 55.167 54.649 0.518 25791 153 1 . 1 1 27 27 TYR CB C 27 39.660 39.660 38.373 1.287 25791 154 1 . 1 1 27 27 TYR H H 27 7.675 7.675 8.049 -0.374 25791 155 1 . 1 1 28 28 PRO HA H 28 4.362 4.362 4.379 -0.017 25791 156 1 . 1 1 28 28 PRO C C 28 179.333 179.333 178.010 1.323 25791 157 1 . 1 1 28 28 PRO CA C 28 64.394 64.394 64.014 0.380 25791 158 1 . 1 1 28 28 PRO CB C 28 31.254 31.254 32.274 -1.020 25791 159 1 . 1 1 29 29 GLY N N 29 110.091 110.091 112.798 -2.707 25791 160 1 . 1 1 29 29 GLY C C 29 173.218 173.218 174.646 -1.428 25791 161 1 . 1 1 29 29 GLY CA C 29 45.912 45.912 45.442 0.470 25791 162 1 . 1 1 29 29 GLY H H 29 8.826 8.826 8.771 0.055 25791 163 1 . 1 1 30 30 ASN N N 30 118.603 118.603 122.130 -3.527 25791 164 1 . 1 1 30 30 ASN HA H 30 4.999 4.999 4.930 0.069 25791 165 1 . 1 1 30 30 ASN C C 30 173.977 173.977 175.238 -1.261 25791 166 1 . 1 1 30 30 ASN CA C 30 51.185 51.185 51.466 -0.281 25791 167 1 . 1 1 30 30 ASN CB C 30 38.426 38.426 37.541 0.884 25791 168 1 . 1 1 30 30 ASN H H 30 7.293 7.293 7.700 -0.407 25791 169 1 . 1 1 31 31 TYR N N 31 125.240 125.240 125.013 0.227 25791 170 1 . 1 1 31 31 TYR HA H 31 3.898 3.898 4.151 -0.253 25791 171 1 . 1 1 31 31 TYR C C 31 177.343 177.343 176.864 0.479 25791 172 1 . 1 1 31 31 TYR CA C 31 61.811 61.811 61.974 -0.163 25791 173 1 . 1 1 31 31 TYR CB C 31 38.357 38.357 38.273 0.084 25791 174 1 . 1 1 31 31 TYR H H 31 8.509 8.509 7.956 0.553 25791 175 1 . 1 1 32 32 GLU N N 32 118.993 118.993 118.304 0.689 25791 176 1 . 1 1 32 32 GLU HA H 32 3.900 3.900 3.768 0.132 25791 177 1 . 1 1 32 32 GLU C C 32 179.549 179.549 178.745 0.804 25791 178 1 . 1 1 32 32 GLU CA C 32 60.112 60.112 59.554 0.558 25791 179 1 . 1 1 32 32 GLU CB C 32 29.168 29.168 28.549 0.619 25791 180 1 . 1 1 32 32 GLU H H 32 8.714 8.714 8.277 0.437 25791 181 1 . 1 1 33 33 GLN N N 33 117.037 117.037 118.345 -1.308 25791 182 1 . 1 1 33 33 GLN HA H 33 3.733 3.733 3.828 -0.095 25791 183 1 . 1 1 33 33 GLN C C 33 179.119 179.119 178.559 0.560 25791 184 1 . 1 1 33 33 GLN CA C 33 57.702 57.702 58.302 -0.600 25791 185 1 . 1 1 33 33 GLN CB C 33 27.626 27.626 27.675 -0.049 25791 186 1 . 1 1 33 33 GLN H H 33 7.536 7.536 8.161 -0.625 25791 187 1 . 1 1 34 34 GLN N N 34 117.723 117.723 119.654 -1.931 25791 188 1 . 1 1 34 34 GLN HA H 34 3.811 3.811 4.019 -0.208 25791 189 1 . 1 1 34 34 GLN C C 34 177.634 177.634 178.564 -0.930 25791 190 1 . 1 1 34 34 GLN CA C 34 60.165 60.165 59.418 0.747 25791 191 1 . 1 1 34 34 GLN CB C 34 27.501 27.501 28.555 -1.054 25791 192 1 . 1 1 34 34 GLN H H 34 7.968 7.968 8.309 -0.341 25791 193 1 . 1 1 35 35 GLN N N 35 115.293 115.293 118.862 -3.569 25791 194 1 . 1 1 35 35 GLN HA H 35 3.791 3.791 4.017 -0.226 25791 195 1 . 1 1 35 35 GLN C C 35 178.757 178.757 178.627 0.130 25791 196 1 . 1 1 35 35 GLN CA C 35 58.610 58.610 58.464 0.146 25791 197 1 . 1 1 35 35 GLN CB C 35 28.205 28.205 28.280 -0.075 25791 198 1 . 1 1 35 35 GLN H H 35 7.870 7.870 7.953 -0.083 25791 199 1 . 1 1 36 36 ILE N N 36 120.769 120.769 120.541 0.228 25791 200 1 . 1 1 36 36 ILE HA H 36 3.564 3.564 3.640 -0.076 25791 201 1 . 1 1 36 36 ILE C C 36 178.273 178.273 178.150 0.123 25791 202 1 . 1 1 36 36 ILE CA C 36 65.236 65.236 65.202 0.034 25791 203 1 . 1 1 36 36 ILE CB C 36 38.373 38.373 37.651 0.722 25791 204 1 . 1 1 36 36 ILE H H 36 7.503 7.503 8.054 -0.551 25791 205 1 . 1 1 37 37 LEU N N 37 121.056 121.056 121.368 -0.312 25791 206 1 . 1 1 37 37 LEU HA H 37 4.309 4.309 4.041 0.268 25791 207 1 . 1 1 37 37 LEU C C 37 178.348 178.348 178.207 0.141 25791 208 1 . 1 1 37 37 LEU CA C 37 57.734 57.734 57.874 -0.140 25791 209 1 . 1 1 37 37 LEU CB C 37 41.516 41.516 41.759 -0.243 25791 210 1 . 1 1 37 37 LEU H H 37 7.678 7.678 7.840 -0.162 25791 211 1 . 1 1 38 38 ILE N N 38 119.334 119.334 119.717 -0.383 25791 212 1 . 1 1 38 38 ILE HA H 38 3.341 3.341 3.452 -0.111 25791 213 1 . 1 1 38 38 ILE C C 38 177.371 177.371 177.896 -0.525 25791 214 1 . 1 1 38 38 ILE CA C 38 67.085 67.085 65.682 1.403 25791 215 1 . 1 1 38 38 ILE CB C 38 38.349 38.349 37.571 0.778 25791 216 1 . 1 1 38 38 ILE H H 38 8.702 8.702 8.310 0.392 25791 217 1 . 1 1 39 39 ARG N N 39 117.798 117.798 119.694 -1.896 25791 218 1 . 1 1 39 39 ARG HA H 39 4.215 4.215 4.111 0.104 25791 219 1 . 1 1 39 39 ARG C C 39 179.555 179.555 179.057 0.498 25791 220 1 . 1 1 39 39 ARG CA C 39 59.459 59.459 59.826 -0.367 25791 221 1 . 1 1 39 39 ARG CB C 39 29.752 29.752 29.868 -0.116 25791 222 1 . 1 1 39 39 ARG H H 39 7.739 7.739 8.364 -0.625 25791 223 1 . 1 1 40 40 GLN N N 40 119.432 119.432 118.841 0.591 25791 224 1 . 1 1 40 40 GLN HA H 40 4.137 4.137 4.067 0.070 25791 225 1 . 1 1 40 40 GLN C C 40 179.522 179.522 178.575 0.947 25791 226 1 . 1 1 40 40 GLN CA C 40 59.260 59.260 58.764 0.496 25791 227 1 . 1 1 40 40 GLN CB C 40 28.358 28.358 28.554 -0.196 25791 228 1 . 1 1 40 40 GLN H H 40 7.811 7.811 7.628 0.183 25791 229 1 . 1 1 41 41 LEU N N 41 121.592 121.592 120.466 1.126 25791 230 1 . 1 1 41 41 LEU HA H 41 3.687 3.687 3.742 -0.055 25791 231 1 . 1 1 41 41 LEU C C 41 178.974 178.974 179.035 -0.061 25791 232 1 . 1 1 41 41 LEU CA C 41 57.963 57.963 57.629 0.334 25791 233 1 . 1 1 41 41 LEU CB C 41 39.852 39.852 40.832 -0.980 25791 234 1 . 1 1 41 41 LEU H H 41 8.648 8.648 8.164 0.484 25791 235 1 . 1 1 42 42 GLN N N 42 119.054 119.054 118.481 0.573 25791 236 1 . 1 1 42 42 GLN HA H 42 4.544 4.544 4.318 0.226 25791 237 1 . 1 1 42 42 GLN C C 42 180.176 180.176 178.810 1.366 25791 238 1 . 1 1 42 42 GLN CA C 42 59.234 59.234 59.283 -0.049 25791 239 1 . 1 1 42 42 GLN CB C 42 27.920 27.920 28.679 -0.759 25791 240 1 . 1 1 42 42 GLN H H 42 8.641 8.641 8.566 0.075 25791 241 1 . 1 1 43 43 GLU N N 43 121.517 121.517 121.309 0.208 25791 242 1 . 1 1 43 43 GLU HA H 43 4.236 4.236 4.058 0.178 25791 243 1 . 1 1 43 43 GLU C C 43 179.721 179.721 178.982 0.739 25791 244 1 . 1 1 43 43 GLU CA C 43 59.667 59.667 59.673 -0.006 25791 245 1 . 1 1 43 43 GLU CB C 43 29.258 29.258 29.486 -0.228 25791 246 1 . 1 1 43 43 GLU H H 43 8.111 8.111 7.968 0.143 25791 247 1 . 1 1 44 44 GLN N N 44 119.240 119.240 118.380 0.860 25791 248 1 . 1 1 44 44 GLN HA H 44 4.116 4.116 4.094 0.022 25791 249 1 . 1 1 44 44 GLN C C 44 179.012 179.012 178.393 0.619 25791 250 1 . 1 1 44 44 GLN CA C 44 59.149 59.149 59.055 0.094 25791 251 1 . 1 1 44 44 GLN CB C 44 28.854 28.854 28.803 0.051 25791 252 1 . 1 1 44 44 GLN H H 44 8.372 8.372 8.179 0.193 25791 253 1 . 1 1 45 45 HIS N N 45 121.705 121.705 120.737 0.968 25791 254 1 . 1 1 45 45 HIS HA H 45 4.280 4.280 4.287 -0.007 25791 255 1 . 1 1 45 45 HIS C C 45 176.395 176.395 177.292 -0.897 25791 256 1 . 1 1 45 45 HIS CA C 45 60.359 60.359 59.134 1.225 25791 257 1 . 1 1 45 45 HIS CB C 45 32.325 32.325 30.563 1.762 25791 258 1 . 1 1 45 45 HIS H H 45 9.472 9.472 8.420 1.052 25791 259 1 . 1 1 46 46 TYR N N 46 119.039 119.039 120.407 -1.368 25791 260 1 . 1 1 46 46 TYR HA H 46 3.849 3.849 4.043 -0.194 25791 261 1 . 1 1 46 46 TYR C C 46 176.664 176.664 178.029 -1.365 25791 262 1 . 1 1 46 46 TYR CA C 46 62.251 62.251 61.945 0.306 25791 263 1 . 1 1 46 46 TYR CB C 46 37.672 37.672 38.422 -0.750 25791 264 1 . 1 1 46 46 TYR H H 46 8.253 8.253 8.433 -0.180 25791 265 1 . 1 1 47 47 GLN N N 47 116.407 116.407 117.694 -1.287 25791 266 1 . 1 1 47 47 GLN HA H 47 3.784 3.784 3.808 -0.024 25791 267 1 . 1 1 47 47 GLN C C 47 179.048 179.048 178.451 0.597 25791 268 1 . 1 1 47 47 GLN CA C 47 58.949 58.949 59.288 -0.339 25791 269 1 . 1 1 47 47 GLN CB C 47 28.181 28.181 28.367 -0.186 25791 270 1 . 1 1 47 47 GLN H H 47 7.814 7.814 8.422 -0.608 25791 271 1 . 1 1 48 48 GLN N N 48 119.803 119.803 119.804 -0.001 25791 272 1 . 1 1 48 48 GLN HA H 48 3.977 3.977 4.084 -0.107 25791 273 1 . 1 1 48 48 GLN C C 48 177.741 177.741 178.201 -0.460 25791 274 1 . 1 1 48 48 GLN CA C 48 58.314 58.314 58.370 -0.056 25791 275 1 . 1 1 48 48 GLN CB C 48 28.328 28.328 28.388 -0.060 25791 276 1 . 1 1 48 48 GLN H H 48 8.645 8.645 8.445 0.200 25791 277 1 . 1 1 49 49 TYR N N 49 121.342 121.342 121.731 -0.389 25791 278 1 . 1 1 49 49 TYR HA H 49 3.640 3.640 4.147 -0.507 25791 279 1 . 1 1 49 49 TYR C C 49 176.021 176.021 177.503 -1.482 25791 280 1 . 1 1 49 49 TYR CA C 49 62.109 62.109 61.430 0.679 25791 281 1 . 1 1 49 49 TYR CB C 49 38.907 38.907 38.189 0.718 25791 282 1 . 1 1 49 49 TYR H H 49 9.105 9.105 8.594 0.511 25791 283 1 . 1 1 50 50 MET N N 50 115.522 115.522 118.391 -2.869 25791 284 1 . 1 1 50 50 MET HA H 50 4.040 4.040 3.636 0.404 25791 285 1 . 1 1 50 50 MET C C 50 179.841 179.841 178.232 1.609 25791 286 1 . 1 1 50 50 MET CA C 50 56.623 56.623 57.529 -0.906 25791 287 1 . 1 1 50 50 MET CB C 50 30.099 30.099 31.840 -1.741 25791 288 1 . 1 1 50 50 MET H H 50 8.060 8.060 8.292 -0.232 25791 289 1 . 1 1 51 51 GLN N N 51 118.942 118.942 118.355 0.587 25791 290 1 . 1 1 51 51 GLN HA H 51 4.065 4.065 3.892 0.173 25791 291 1 . 1 1 51 51 GLN C C 51 178.707 178.707 178.472 0.235 25791 292 1 . 1 1 51 51 GLN CA C 51 58.941 58.941 59.108 -0.167 25791 293 1 . 1 1 51 51 GLN CB C 51 28.489 28.489 28.305 0.184 25791 294 1 . 1 1 51 51 GLN H H 51 7.830 7.830 8.006 -0.176 25791 295 1 . 1 1 52 52 GLN N N 52 119.210 119.210 119.785 -0.575 25791 296 1 . 1 1 52 52 GLN HA H 52 4.057 4.057 4.124 -0.067 25791 297 1 . 1 1 52 52 GLN C C 52 178.738 178.738 178.520 0.218 25791 298 1 . 1 1 52 52 GLN CA C 52 58.749 58.749 58.333 0.416 25791 299 1 . 1 1 52 52 GLN CB C 52 28.403 28.403 28.647 -0.244 25791 300 1 . 1 1 52 52 GLN H H 52 8.187 8.187 8.036 0.151 25791 301 1 . 1 1 53 53 LEU N N 53 121.233 121.233 121.359 -0.126 25791 302 1 . 1 1 53 53 LEU HA H 53 3.841 3.841 3.853 -0.012 25791 303 1 . 1 1 53 53 LEU C C 53 179.191 179.191 177.997 1.194 25791 304 1 . 1 1 53 53 LEU CA C 53 57.745 57.745 57.715 0.030 25791 305 1 . 1 1 53 53 LEU CB C 53 41.866 41.866 41.230 0.636 25791 306 1 . 1 1 53 53 LEU H H 53 8.441 8.441 8.178 0.263 25791 307 1 . 1 1 54 54 TYR N N 54 118.505 118.505 119.251 -0.746 25791 308 1 . 1 1 54 54 TYR HA H 54 4.318 4.318 3.901 0.417 25791 309 1 . 1 1 54 54 TYR C C 54 177.535 177.535 177.534 0.001 25791 310 1 . 1 1 54 54 TYR CA C 54 60.477 60.477 62.299 -1.822 25791 311 1 . 1 1 54 54 TYR CB C 54 37.786 37.786 38.323 -0.537 25791 312 1 . 1 1 54 54 TYR H H 54 7.819 7.819 8.253 -0.434 25791 313 1 . 1 1 55 55 GLN N N 55 117.299 117.299 117.708 -0.409 25791 314 1 . 1 1 55 55 GLN HA H 55 3.899 3.899 4.037 -0.138 25791 315 1 . 1 1 55 55 GLN C C 55 179.041 179.041 178.396 0.645 25791 316 1 . 1 1 55 55 GLN CA C 55 58.709 58.709 58.952 -0.243 25791 317 1 . 1 1 55 55 GLN CB C 55 28.215 28.215 28.607 -0.392 25791 318 1 . 1 1 55 55 GLN H H 55 7.735 7.735 7.743 -0.008 25791 319 1 . 1 1 56 56 VAL N N 56 120.879 120.879 120.142 0.737 25791 320 1 . 1 1 56 56 VAL HA H 56 3.792 3.792 3.620 0.172 25791 321 1 . 1 1 56 56 VAL C C 56 178.262 178.262 177.896 0.366 25791 322 1 . 1 1 56 56 VAL CA C 56 65.942 65.942 66.433 -0.491 25791 323 1 . 1 1 56 56 VAL CB C 56 31.879 31.879 31.498 0.381 25791 324 1 . 1 1 56 56 VAL H H 56 8.014 8.014 7.686 0.328 25791 325 1 . 1 1 57 57 GLN N N 57 120.513 120.513 119.603 0.910 25791 326 1 . 1 1 57 57 GLN HA H 57 4.060 4.060 4.036 0.024 25791 327 1 . 1 1 57 57 GLN C C 57 178.772 178.772 178.284 0.488 25791 328 1 . 1 1 57 57 GLN CA C 57 58.616 58.616 58.300 0.316 25791 329 1 . 1 1 57 57 GLN CB C 57 27.985 27.985 27.808 0.177 25791 330 1 . 1 1 57 57 GLN H H 57 8.103 8.103 8.250 -0.147 25791 331 1 . 1 1 58 58 LEU N N 58 121.244 121.244 121.601 -0.357 25791 332 1 . 1 1 58 58 LEU HA H 58 4.005 4.005 3.980 0.025 25791 333 1 . 1 1 58 58 LEU C C 58 179.134 179.134 178.180 0.954 25791 334 1 . 1 1 58 58 LEU CA C 58 57.506 57.506 57.190 0.316 25791 335 1 . 1 1 58 58 LEU CB C 58 41.803 41.803 41.264 0.539 25791 336 1 . 1 1 58 58 LEU H H 58 8.176 8.176 7.919 0.257 25791 337 1 . 1 1 59 59 ALA N N 59 121.608 121.608 121.354 0.254 25791 338 1 . 1 1 59 59 ALA HA H 59 4.165 4.165 3.920 0.245 25791 339 1 . 1 1 59 59 ALA C C 59 180.497 180.497 179.876 0.621 25791 340 1 . 1 1 59 59 ALA CA C 59 54.582 54.582 55.177 -0.595 25791 341 1 . 1 1 59 59 ALA CB C 59 18.053 18.053 18.158 -0.105 25791 342 1 . 1 1 59 59 ALA H H 59 7.833 7.833 8.037 -0.204 25791 343 1 . 1 1 60 60 GLN N N 60 118.335 118.335 117.586 0.749 25791 344 1 . 1 1 60 60 GLN HA H 60 4.148 4.148 3.950 0.198 25791 345 1 . 1 1 60 60 GLN C C 60 178.334 178.334 178.601 -0.267 25791 346 1 . 1 1 60 60 GLN CA C 60 57.977 57.977 58.624 -0.647 25791 347 1 . 1 1 60 60 GLN CB C 60 28.435 28.435 28.458 -0.023 25791 348 1 . 1 1 60 60 GLN H H 60 8.081 8.081 7.863 0.218 25791 349 1 . 1 1 61 61 GLN N N 61 120.206 120.206 119.923 0.283 25791 350 1 . 1 1 61 61 GLN HA H 61 4.162 4.162 3.977 0.185 25791 351 1 . 1 1 61 61 GLN C C 61 178.002 178.002 178.526 -0.524 25791 352 1 . 1 1 61 61 GLN CA C 61 57.905 57.905 58.830 -0.925 25791 353 1 . 1 1 61 61 GLN CB C 61 28.579 28.579 28.459 0.120 25791 354 1 . 1 1 61 61 GLN H H 61 8.111 8.111 8.054 0.057 25791 355 1 . 1 1 62 62 GLN N N 62 118.980 118.980 118.748 0.232 25791 356 1 . 1 1 62 62 GLN HA H 62 4.129 4.129 4.040 0.089 25791 357 1 . 1 1 62 62 GLN C C 62 177.624 177.624 178.303 -0.679 25791 358 1 . 1 1 62 62 GLN CA C 62 57.636 57.636 58.717 -1.081 25791 359 1 . 1 1 62 62 GLN CB C 62 28.636 28.636 28.557 0.079 25791 360 1 . 1 1 62 62 GLN H H 62 8.203 8.203 8.525 -0.322 25791 361 1 . 1 1 63 63 ALA N N 63 122.712 122.712 121.683 1.029 25791 362 1 . 1 1 63 63 ALA HA H 63 4.206 4.206 4.158 0.048 25791 363 1 . 1 1 63 63 ALA C C 63 178.922 178.922 178.763 0.159 25791 364 1 . 1 1 63 63 ALA CA C 63 53.896 53.896 54.349 -0.452 25791 365 1 . 1 1 63 63 ALA CB C 63 18.459 18.459 18.242 0.217 25791 366 1 . 1 1 63 63 ALA H H 63 8.004 8.004 7.886 0.118 25791 367 1 . 1 1 64 64 ALA N N 64 120.813 120.813 120.667 0.146 25791 368 1 . 1 1 64 64 ALA HA H 64 4.232 4.232 4.163 0.069 25791 369 1 . 1 1 64 64 ALA C C 64 178.732 178.732 178.779 -0.047 25791 370 1 . 1 1 64 64 ALA CA C 64 53.516 53.516 54.092 -0.576 25791 371 1 . 1 1 64 64 ALA CB C 64 18.630 18.630 19.143 -0.513 25791 372 1 . 1 1 64 64 ALA H H 64 7.837 7.837 7.658 0.179 25791 373 1 . 1 1 65 65 LEU N N 65 119.196 119.196 118.770 0.426 25791 374 1 . 1 1 65 65 LEU HA H 65 4.257 4.257 4.275 -0.018 25791 375 1 . 1 1 65 65 LEU C C 65 178.038 178.038 177.791 0.247 25791 376 1 . 1 1 65 65 LEU CA C 65 55.822 55.822 56.229 -0.407 25791 377 1 . 1 1 65 65 LEU CB C 65 42.264 42.264 42.099 0.165 25791 378 1 . 1 1 65 65 LEU H H 65 7.765 7.765 7.695 0.070 25791 379 1 . 1 1 66 66 GLN N N 66 119.365 119.365 114.719 4.646 25791 380 1 . 1 1 66 66 GLN HA H 66 4.275 4.275 3.957 0.318 25791 381 1 . 1 1 66 66 GLN C C 66 176.120 176.120 175.756 0.364 25791 382 1 . 1 1 66 66 GLN CA C 66 56.067 56.067 57.028 -0.961 25791 383 1 . 1 1 66 66 GLN CB C 66 29.132 29.132 26.661 2.471 25791 384 1 . 1 1 66 66 GLN H H 66 7.967 7.967 8.245 -0.278 25791 385 1 . 1 1 67 67 LYS N N 67 121.521 121.521 118.192 3.329 25791 386 1 . 1 1 67 67 LYS HA H 67 4.309 4.309 4.350 -0.041 25791 387 1 . 1 1 67 67 LYS C C 67 176.437 176.437 175.640 0.797 25791 388 1 . 1 1 67 67 LYS CA C 67 56.389 56.389 55.968 0.421 25791 389 1 . 1 1 67 67 LYS CB C 67 33.041 33.041 32.812 0.229 25791 390 1 . 1 1 67 67 LYS H H 67 8.053 8.053 8.112 -0.059 25791 391 1 . 1 1 68 68 GLN N N 68 121.970 121.970 118.924 3.046 25791 392 1 . 1 1 68 68 GLN HA H 68 4.339 4.339 4.245 0.094 25791 393 1 . 1 1 68 68 GLN C C 68 175.120 175.120 175.316 -0.196 25791 394 1 . 1 1 68 68 GLN CA C 68 56.000 56.000 56.029 -0.029 25791 395 1 . 1 1 68 68 GLN CB C 68 29.498 29.498 28.337 1.161 25791 396 1 . 1 1 68 68 GLN H H 68 8.314 8.314 8.227 0.087 25791 stop_ save_