data_25910 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25910 _Entry.PDB_ID 2N9L 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 25910 _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 GLY N N 2 113.750 113.750 108.694 5.056 25910 2 1 1 . 1 1 2 2 GLY C C 2 176.605 176.605 172.307 4.298 25910 3 1 1 . 1 1 2 2 GLY CA C 2 44.589 44.589 45.488 -0.899 25910 4 1 1 . 1 1 2 2 GLY H H 2 8.454 8.454 8.412 0.042 25910 5 1 1 . 1 1 3 3 THR N N 3 118.182 118.182 118.993 -0.811 25910 6 1 1 . 1 1 3 3 THR HA H 3 4.594 4.594 4.426 0.168 25910 7 1 1 . 1 1 3 3 THR C C 3 173.943 173.943 173.355 0.588 25910 8 1 1 . 1 1 3 3 THR CA C 3 62.633 62.633 61.995 0.638 25910 9 1 1 . 1 1 3 3 THR CB C 3 72.413 72.413 69.572 2.841 25910 10 1 1 . 1 1 3 3 THR H H 3 8.076 8.076 8.250 -0.174 25910 11 1 1 . 1 1 4 4 TYR N N 4 128.256 128.256 128.572 -0.316 25910 12 1 1 . 1 1 4 4 TYR HA H 4 5.271 5.271 4.915 0.356 25910 13 1 1 . 1 1 4 4 TYR C C 4 174.213 174.213 175.450 -1.237 25910 14 1 1 . 1 1 4 4 TYR CA C 4 56.625 56.625 57.955 -1.330 25910 15 1 1 . 1 1 4 4 TYR CB C 4 42.657 42.657 40.406 2.251 25910 16 1 1 . 1 1 4 4 TYR H H 4 9.273 9.273 9.035 0.238 25910 17 1 1 . 1 1 5 5 LYS N N 5 124.678 124.678 125.379 -0.701 25910 18 1 1 . 1 1 5 5 LYS HA H 5 5.169 5.169 4.773 0.396 25910 19 1 1 . 1 1 5 5 LYS C C 5 172.616 172.616 174.787 -2.171 25910 20 1 1 . 1 1 5 5 LYS CA C 5 54.875 54.875 55.721 -0.846 25910 21 1 1 . 1 1 5 5 LYS CB C 5 28.908 28.908 33.348 -4.440 25910 22 1 1 . 1 1 5 5 LYS H H 5 9.075 9.075 9.361 -0.286 25910 23 1 1 . 1 1 6 6 LEU N N 6 128.375 128.375 127.510 0.865 25910 24 1 1 . 1 1 6 6 LEU HA H 6 4.839 4.839 5.001 -0.162 25910 25 1 1 . 1 1 6 6 LEU C C 6 174.425 174.425 175.063 -0.638 25910 26 1 1 . 1 1 6 6 LEU CA C 6 52.459 52.459 52.949 -0.490 25910 27 1 1 . 1 1 6 6 LEU H H 6 8.541 8.541 8.579 -0.038 25910 28 1 1 . 1 1 7 7 ILE N N 7 128.123 128.123 127.448 0.675 25910 29 1 1 . 1 1 7 7 ILE HA H 7 4.221 4.221 4.615 -0.394 25910 30 1 1 . 1 1 7 7 ILE C C 7 174.566 174.566 174.362 0.204 25910 31 1 1 . 1 1 7 7 ILE CA C 7 60.226 60.226 59.992 0.234 25910 32 1 1 . 1 1 7 7 ILE CB C 7 37.977 37.977 39.641 -1.664 25910 33 1 1 . 1 1 7 7 ILE H H 7 9.020 9.020 8.873 0.147 25910 34 1 1 . 1 1 8 8 LEU N N 8 127.628 127.628 129.084 -1.456 25910 35 1 1 . 1 1 8 8 LEU HA H 8 4.383 4.383 4.243 0.140 25910 36 1 1 . 1 1 8 8 LEU C C 8 174.640 174.640 175.292 -0.652 25910 37 1 1 . 1 1 8 8 LEU CA C 8 54.428 54.428 54.748 -0.320 25910 38 1 1 . 1 1 8 8 LEU CB C 8 42.014 42.014 42.215 -0.201 25910 39 1 1 . 1 1 8 8 LEU H H 8 8.640 8.640 8.858 -0.218 25910 40 1 1 . 1 1 9 9 ASN N N 9 128.380 128.380 125.631 2.749 25910 41 1 1 . 1 1 9 9 ASN HA H 9 5.214 5.214 5.007 0.207 25910 42 1 1 . 1 1 9 9 ASN C C 9 175.683 175.683 174.220 1.463 25910 43 1 1 . 1 1 9 9 ASN CA C 9 50.778 50.778 51.731 -0.953 25910 44 1 1 . 1 1 9 9 ASN CB C 9 37.691 37.691 39.836 -2.145 25910 45 1 1 . 1 1 9 9 ASN H H 9 8.830 8.830 8.861 -0.031 25910 46 1 1 . 1 1 10 10 GLY N N 10 111.563 111.563 109.899 1.664 25910 47 1 1 . 1 1 10 10 GLY C C 10 173.311 173.311 174.080 -0.769 25910 48 1 1 . 1 1 10 10 GLY CA C 10 44.735 44.735 43.503 1.232 25910 49 1 1 . 1 1 10 10 GLY H H 10 7.831 7.831 7.828 0.003 25910 50 1 1 . 1 1 11 11 LYS N N 11 122.942 122.942 120.096 2.846 25910 51 1 1 . 1 1 11 11 LYS HA H 11 3.990 3.990 4.250 -0.260 25910 52 1 1 . 1 1 11 11 LYS C C 11 178.822 178.822 176.122 2.700 25910 53 1 1 . 1 1 11 11 LYS CA C 11 58.885 58.885 57.766 1.119 25910 54 1 1 . 1 1 11 11 LYS CB C 11 32.330 32.330 31.779 0.551 25910 55 1 1 . 1 1 11 11 LYS H H 11 9.419 9.419 8.482 0.937 25910 56 1 1 . 1 1 12 12 THR N N 12 110.192 110.192 111.705 -1.513 25910 57 1 1 . 1 1 12 12 THR HA H 12 4.312 4.312 4.328 -0.016 25910 58 1 1 . 1 1 12 12 THR C C 12 173.575 173.575 173.540 0.035 25910 59 1 1 . 1 1 12 12 THR CA C 12 61.517 61.517 63.130 -1.613 25910 60 1 1 . 1 1 12 12 THR CB C 12 69.598 69.598 70.191 -0.593 25910 61 1 1 . 1 1 12 12 THR H H 12 8.743 8.743 8.066 0.677 25910 62 1 1 . 1 1 13 13 LEU N N 13 127.300 127.300 119.794 7.506 25910 63 1 1 . 1 1 13 13 LEU HA H 13 4.401 4.401 4.927 -0.526 25910 64 1 1 . 1 1 13 13 LEU C C 13 173.148 173.148 174.340 -1.192 25910 65 1 1 . 1 1 13 13 LEU CA C 13 54.953 54.953 53.172 1.781 25910 66 1 1 . 1 1 13 13 LEU CB C 13 43.166 43.166 44.349 -1.183 25910 67 1 1 . 1 1 13 13 LEU H H 13 7.273 7.273 7.514 -0.241 25910 68 1 1 . 1 1 14 14 LYS N N 14 125.544 125.544 118.920 6.624 25910 69 1 1 . 1 1 14 14 LYS HA H 14 5.097 5.097 4.904 0.193 25910 70 1 1 . 1 1 14 14 LYS C C 14 176.255 176.255 175.159 1.096 25910 71 1 1 . 1 1 14 14 LYS CA C 14 53.661 53.661 55.009 -1.348 25910 72 1 1 . 1 1 14 14 LYS CB C 14 34.743 34.743 36.507 -1.764 25910 73 1 1 . 1 1 14 14 LYS H H 14 8.062 8.062 8.286 -0.224 25910 74 1 1 . 1 1 15 15 GLY N N 15 111.144 111.144 107.666 3.478 25910 75 1 1 . 1 1 15 15 GLY C C 15 171.151 171.151 171.875 -0.724 25910 76 1 1 . 1 1 15 15 GLY CA C 15 45.006 45.006 45.667 -0.661 25910 77 1 1 . 1 1 15 15 GLY H H 15 8.349 8.349 8.126 0.223 25910 78 1 1 . 1 1 16 16 GLU N N 16 120.581 120.581 122.531 -1.950 25910 79 1 1 . 1 1 16 16 GLU HA H 16 5.546 5.546 5.415 0.131 25910 80 1 1 . 1 1 16 16 GLU C C 16 175.034 175.034 175.228 -0.194 25910 81 1 1 . 1 1 16 16 GLU CA C 16 54.528 54.528 54.897 -0.369 25910 82 1 1 . 1 1 16 16 GLU CB C 16 33.817 33.817 32.279 1.538 25910 83 1 1 . 1 1 16 16 GLU H H 16 8.346 8.346 8.573 -0.228 25910 84 1 1 . 1 1 17 17 THR N N 17 117.658 117.658 118.460 -0.802 25910 85 1 1 . 1 1 17 17 THR HA H 17 4.622 4.622 4.799 -0.177 25910 86 1 1 . 1 1 17 17 THR C C 17 171.834 171.834 172.871 -1.037 25910 87 1 1 . 1 1 17 17 THR CA C 17 60.610 60.610 60.111 0.499 25910 88 1 1 . 1 1 17 17 THR CB C 17 69.030 69.030 71.376 -2.346 25910 89 1 1 . 1 1 17 17 THR H H 17 8.636 8.636 8.904 -0.268 25910 90 1 1 . 1 1 18 18 THR N N 18 113.707 113.707 113.304 0.403 25910 91 1 1 . 1 1 18 18 THR HA H 18 5.794 5.794 5.445 0.349 25910 92 1 1 . 1 1 18 18 THR C C 18 173.871 173.871 174.003 -0.132 25910 93 1 1 . 1 1 18 18 THR CA C 18 59.750 59.750 60.944 -1.194 25910 94 1 1 . 1 1 18 18 THR CB C 18 73.077 73.077 71.970 1.107 25910 95 1 1 . 1 1 18 18 THR H H 18 7.970 7.970 8.382 -0.412 25910 96 1 1 . 1 1 19 19 THR N N 19 116.670 116.670 119.524 -2.854 25910 97 1 1 . 1 1 19 19 THR HA H 19 4.606 4.606 4.682 -0.076 25910 98 1 1 . 1 1 19 19 THR C C 19 171.009 171.009 172.876 -1.867 25910 99 1 1 . 1 1 19 19 THR CA C 19 62.179 62.179 61.974 0.205 25910 100 1 1 . 1 1 19 19 THR CB C 19 70.463 70.463 71.582 -1.119 25910 101 1 1 . 1 1 19 19 THR H H 19 9.018 9.018 8.838 0.180 25910 102 1 1 . 1 1 20 20 GLU N N 20 126.491 126.491 124.702 1.789 25910 103 1 1 . 1 1 20 20 GLU HA H 20 5.528 5.528 5.325 0.203 25910 104 1 1 . 1 1 20 20 GLU C C 20 176.205 176.205 175.240 0.965 25910 105 1 1 . 1 1 20 20 GLU CA C 20 54.574 54.574 54.705 -0.131 25910 106 1 1 . 1 1 20 20 GLU CB C 20 30.757 30.757 31.833 -1.076 25910 107 1 1 . 1 1 20 20 GLU H H 20 7.922 7.922 8.656 -0.734 25910 108 1 1 . 1 1 21 21 ALA N N 21 126.835 126.835 125.344 1.491 25910 109 1 1 . 1 1 21 21 ALA HA H 21 4.740 4.740 4.620 0.120 25910 110 1 1 . 1 1 21 21 ALA C C 21 177.223 177.223 176.336 0.887 25910 111 1 1 . 1 1 21 21 ALA CA C 21 50.945 50.945 51.639 -0.694 25910 112 1 1 . 1 1 21 21 ALA CB C 21 23.578 23.578 21.052 2.526 25910 113 1 1 . 1 1 21 21 ALA H H 21 9.183 9.183 8.611 0.572 25910 114 1 1 . 1 1 22 22 VAL N N 22 117.316 117.316 118.841 -1.525 25910 115 1 1 . 1 1 22 22 VAL HA H 22 4.137 4.137 4.041 0.096 25910 116 1 1 . 1 1 22 22 VAL C C 22 174.432 174.432 175.278 -0.846 25910 117 1 1 . 1 1 22 22 VAL CA C 22 63.321 63.321 63.892 -0.571 25910 118 1 1 . 1 1 22 22 VAL CB C 22 32.120 32.120 32.307 -0.188 25910 119 1 1 . 1 1 22 22 VAL H H 22 8.519 8.519 8.612 -0.093 25910 120 1 1 . 1 1 23 23 ASP N N 23 116.395 116.395 115.755 0.640 25910 121 1 1 . 1 1 23 23 ASP HA H 23 4.580 4.580 4.850 -0.270 25910 122 1 1 . 1 1 23 23 ASP C C 23 174.391 174.391 175.643 -1.252 25910 123 1 1 . 1 1 23 23 ASP CA C 23 52.345 52.345 53.395 -1.050 25910 124 1 1 . 1 1 23 23 ASP CB C 23 42.149 42.149 42.871 -0.722 25910 125 1 1 . 1 1 23 23 ASP H H 23 7.191 7.191 7.703 -0.512 25910 126 1 1 . 1 1 24 24 ALA N N 24 123.019 123.019 124.076 -1.057 25910 127 1 1 . 1 1 24 24 ALA HA H 24 3.349 3.349 3.436 -0.087 25910 128 1 1 . 1 1 24 24 ALA C C 24 179.001 179.001 178.419 0.582 25910 129 1 1 . 1 1 24 24 ALA CA C 24 54.346 54.346 55.200 -0.854 25910 130 1 1 . 1 1 24 24 ALA CB C 24 17.327 17.327 18.489 -1.162 25910 131 1 1 . 1 1 24 24 ALA H H 24 8.315 8.315 8.742 -0.427 25910 132 1 1 . 1 1 25 25 ALA N N 25 122.203 122.203 119.692 2.511 25910 133 1 1 . 1 1 25 25 ALA HA H 25 3.891 3.891 4.035 -0.144 25910 134 1 1 . 1 1 25 25 ALA C C 25 180.736 180.736 179.285 1.451 25910 135 1 1 . 1 1 25 25 ALA CA C 25 54.646 54.646 54.614 0.032 25910 136 1 1 . 1 1 25 25 ALA CB C 25 17.623 17.623 17.969 -0.346 25910 137 1 1 . 1 1 25 25 ALA H H 25 7.982 7.982 8.340 -0.358 25910 138 1 1 . 1 1 26 26 THR N N 26 118.231 118.231 114.690 3.541 25910 139 1 1 . 1 1 26 26 THR HA H 26 3.973 3.973 4.082 -0.109 25910 140 1 1 . 1 1 26 26 THR C C 26 175.969 175.969 176.156 -0.187 25910 141 1 1 . 1 1 26 26 THR CA C 26 66.690 66.690 66.077 0.613 25910 142 1 1 . 1 1 26 26 THR CB C 26 66.977 66.977 68.636 -1.659 25910 143 1 1 . 1 1 26 26 THR H H 26 8.258 8.258 7.683 0.575 25910 144 1 1 . 1 1 27 27 ALA N N 27 125.522 125.522 125.186 0.336 25910 145 1 1 . 1 1 27 27 ALA HA H 27 3.008 3.008 3.983 -0.975 25910 146 1 1 . 1 1 27 27 ALA C C 27 176.928 176.928 179.043 -2.115 25910 147 1 1 . 1 1 27 27 ALA CA C 27 54.544 54.544 55.595 -1.051 25910 148 1 1 . 1 1 27 27 ALA CB C 27 17.299 17.299 18.107 -0.808 25910 149 1 1 . 1 1 27 27 ALA H H 27 6.992 6.992 7.443 -0.451 25910 150 1 1 . 1 1 28 28 GLU N N 28 118.584 118.584 118.436 0.148 25910 151 1 1 . 1 1 28 28 GLU HA H 28 2.575 2.575 3.773 -1.198 25910 152 1 1 . 1 1 28 28 GLU C C 28 177.127 177.127 178.355 -1.228 25910 153 1 1 . 1 1 28 28 GLU CA C 28 59.522 59.522 59.508 0.014 25910 154 1 1 . 1 1 28 28 GLU CB C 28 32.612 32.612 29.359 3.253 25910 155 1 1 . 1 1 28 28 GLU H H 28 8.284 8.284 8.067 0.217 25910 156 1 1 . 1 1 29 29 LYS N N 29 118.504 118.504 119.198 -0.694 25910 157 1 1 . 1 1 29 29 LYS HA H 29 3.654 3.654 3.860 -0.206 25910 158 1 1 . 1 1 29 29 LYS C C 29 179.844 179.844 179.271 0.573 25910 159 1 1 . 1 1 29 29 LYS CA C 29 59.589 59.589 59.161 0.428 25910 160 1 1 . 1 1 29 29 LYS CB C 29 32.200 32.200 32.292 -0.092 25910 161 1 1 . 1 1 29 29 LYS H H 29 6.861 6.861 7.687 -0.826 25910 162 1 1 . 1 1 30 30 VAL N N 30 122.501 122.501 118.645 3.856 25910 163 1 1 . 1 1 30 30 VAL HA H 30 3.550 3.550 3.731 -0.181 25910 164 1 1 . 1 1 30 30 VAL C C 30 179.643 179.643 178.577 1.066 25910 165 1 1 . 1 1 30 30 VAL CA C 30 65.870 65.870 65.901 -0.031 25910 166 1 1 . 1 1 30 30 VAL CB C 30 31.729 31.729 31.551 0.178 25910 167 1 1 . 1 1 30 30 VAL H H 30 7.203 7.203 7.754 -0.551 25910 168 1 1 . 1 1 31 31 PHE N N 31 122.601 122.601 119.128 3.473 25910 169 1 1 . 1 1 31 31 PHE C C 31 178.161 178.161 177.604 0.557 25910 170 1 1 . 1 1 31 31 PHE CA C 31 55.903 55.903 61.307 -5.404 25910 171 1 1 . 1 1 31 31 PHE H H 31 8.398 8.398 8.645 -0.247 25910 172 1 1 . 1 1 32 32 LYS N N 32 124.739 124.739 120.847 3.892 25910 173 1 1 . 1 1 32 32 LYS HA H 32 4.085 4.085 4.082 0.003 25910 174 1 1 . 1 1 32 32 LYS C C 32 179.432 179.432 178.607 0.825 25910 175 1 1 . 1 1 32 32 LYS CA C 32 59.714 59.714 60.166 -0.452 25910 176 1 1 . 1 1 32 32 LYS CB C 32 31.660 31.660 31.918 -0.258 25910 177 1 1 . 1 1 32 32 LYS H H 32 9.078 9.078 8.422 0.656 25910 178 1 1 . 1 1 33 33 GLN N N 33 121.561 121.561 117.770 3.791 25910 179 1 1 . 1 1 33 33 GLN HA H 33 3.986 3.986 4.000 -0.014 25910 180 1 1 . 1 1 33 33 GLN C C 33 176.867 176.867 178.483 -1.616 25910 181 1 1 . 1 1 33 33 GLN CA C 33 58.531 58.531 58.899 -0.368 25910 182 1 1 . 1 1 33 33 GLN CB C 33 27.914 27.914 28.638 -0.724 25910 183 1 1 . 1 1 33 33 GLN H H 33 7.325 7.325 7.794 -0.469 25910 184 1 1 . 1 1 34 34 TYR N N 34 122.729 122.729 120.101 2.628 25910 185 1 1 . 1 1 34 34 TYR HA H 34 4.206 4.206 4.149 0.057 25910 186 1 1 . 1 1 34 34 TYR C C 34 178.875 178.875 177.129 1.746 25910 187 1 1 . 1 1 34 34 TYR CA C 34 61.673 61.673 60.785 0.888 25910 188 1 1 . 1 1 34 34 TYR CB C 34 38.779 38.779 38.221 0.558 25910 189 1 1 . 1 1 34 34 TYR H H 34 8.165 8.165 8.061 0.104 25910 190 1 1 . 1 1 35 35 ALA N N 35 124.565 124.565 121.689 2.876 25910 191 1 1 . 1 1 35 35 ALA HA H 35 3.754 3.754 3.362 0.392 25910 192 1 1 . 1 1 35 35 ALA C C 35 174.251 174.251 179.545 -5.294 25910 193 1 1 . 1 1 35 35 ALA CA C 35 56.260 56.260 55.147 1.113 25910 194 1 1 . 1 1 35 35 ALA CB C 35 17.622 17.622 18.024 -0.402 25910 195 1 1 . 1 1 35 35 ALA H H 35 9.126 9.126 8.784 0.342 25910 196 1 1 . 1 1 36 36 ASN N N 36 119.406 119.406 116.076 3.330 25910 197 1 1 . 1 1 36 36 ASN HA H 36 4.370 4.370 4.589 -0.219 25910 198 1 1 . 1 1 36 36 ASN C C 36 179.225 179.225 177.085 2.140 25910 199 1 1 . 1 1 36 36 ASN CA C 36 56.845 56.845 55.324 1.521 25910 200 1 1 . 1 1 36 36 ASN CB C 36 38.724 38.724 38.814 -0.090 25910 201 1 1 . 1 1 36 36 ASN H H 36 8.156 8.156 8.149 0.007 25910 202 1 1 . 1 1 37 37 ASP N N 37 123.289 123.289 119.117 4.172 25910 203 1 1 . 1 1 37 37 ASP HA H 37 4.291 4.291 4.441 -0.150 25910 204 1 1 . 1 1 37 37 ASP C C 37 176.917 176.917 178.135 -1.218 25910 205 1 1 . 1 1 37 37 ASP CA C 37 56.791 56.791 56.426 0.365 25910 206 1 1 . 1 1 37 37 ASP CB C 37 41.927 41.927 41.206 0.720 25910 207 1 1 . 1 1 37 37 ASP H H 37 8.854 8.854 7.839 1.015 25910 208 1 1 . 1 1 38 38 ASN N N 38 117.154 117.154 116.339 0.815 25910 209 1 1 . 1 1 38 38 ASN HA H 38 4.528 4.528 4.662 -0.134 25910 210 1 1 . 1 1 38 38 ASN C C 38 173.809 173.809 175.971 -2.162 25910 211 1 1 . 1 1 38 38 ASN CA C 38 53.604 53.604 53.150 0.454 25910 212 1 1 . 1 1 38 38 ASN H H 38 7.302 7.302 7.993 -0.691 25910 213 1 1 . 1 1 39 39 GLY N N 39 109.931 109.931 107.277 2.654 25910 214 1 1 . 1 1 39 39 GLY C C 39 177.482 177.482 173.343 4.139 25910 215 1 1 . 1 1 39 39 GLY CA C 39 46.647 46.647 44.755 1.892 25910 216 1 1 . 1 1 39 39 GLY H H 39 7.716 7.716 7.596 0.120 25910 217 1 1 . 1 1 40 40 VAL N N 40 122.793 122.793 120.208 2.585 25910 218 1 1 . 1 1 40 40 VAL HA H 40 4.099 4.099 4.495 -0.396 25910 219 1 1 . 1 1 40 40 VAL C C 40 173.752 173.752 173.827 -0.075 25910 220 1 1 . 1 1 40 40 VAL CA C 40 61.738 61.738 60.912 0.826 25910 221 1 1 . 1 1 40 40 VAL CB C 40 32.918 32.918 34.366 -1.448 25910 222 1 1 . 1 1 40 40 VAL H H 40 8.027 8.027 7.933 0.094 25910 223 1 1 . 1 1 41 41 ASP N N 41 129.935 129.935 127.762 2.173 25910 224 1 1 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.852 -0.027 25910 225 1 1 . 1 1 41 41 ASP C C 41 174.270 174.270 174.591 -0.321 25910 226 1 1 . 1 1 41 41 ASP CA C 41 52.473 52.473 53.532 -1.059 25910 227 1 1 . 1 1 41 41 ASP CB C 41 42.513 42.513 42.480 0.033 25910 228 1 1 . 1 1 41 41 ASP H H 41 8.588 8.588 9.049 -0.461 25910 229 1 1 . 1 1 42 42 GLY N N 42 109.126 109.126 109.243 -0.117 25910 230 1 1 . 1 1 42 42 GLY C C 42 171.778 171.778 173.083 -1.305 25910 231 1 1 . 1 1 42 42 GLY CA C 42 45.243 45.243 44.419 0.824 25910 232 1 1 . 1 1 42 42 GLY H H 42 7.672 7.672 7.782 -0.110 25910 233 1 1 . 1 1 43 43 GLU N N 43 122.448 122.448 121.849 0.599 25910 234 1 1 . 1 1 43 43 GLU HA H 43 4.628 4.628 4.499 0.129 25910 235 1 1 . 1 1 43 43 GLU C C 43 176.874 176.874 176.591 0.283 25910 236 1 1 . 1 1 43 43 GLU CA C 43 55.350 55.350 54.979 0.371 25910 237 1 1 . 1 1 43 43 GLU CB C 43 31.207 31.207 30.506 0.701 25910 238 1 1 . 1 1 43 43 GLU H H 43 8.089 8.089 8.377 -0.288 25910 239 1 1 . 1 1 44 44 TRP N N 44 130.232 130.232 128.282 1.950 25910 240 1 1 . 1 1 44 44 TRP HA H 44 5.313 5.313 5.015 0.298 25910 241 1 1 . 1 1 44 44 TRP C C 44 176.867 176.867 176.713 0.154 25910 242 1 1 . 1 1 44 44 TRP CA C 44 57.688 57.688 57.436 0.252 25910 243 1 1 . 1 1 44 44 TRP CB C 44 30.268 30.268 29.244 1.024 25910 244 1 1 . 1 1 44 44 TRP H H 44 9.284 9.284 8.850 0.434 25910 245 1 1 . 1 1 45 45 THR N N 45 116.544 116.544 121.040 -4.496 25910 246 1 1 . 1 1 45 45 THR HA H 45 4.626 4.626 4.785 -0.159 25910 247 1 1 . 1 1 45 45 THR C C 45 172.518 172.518 172.687 -0.169 25910 248 1 1 . 1 1 45 45 THR CA C 45 60.392 60.392 61.478 -1.086 25910 249 1 1 . 1 1 45 45 THR CB C 45 72.517 72.517 70.987 1.530 25910 250 1 1 . 1 1 45 45 THR H H 45 9.192 9.192 9.309 -0.117 25910 251 1 1 . 1 1 46 46 TYR N N 46 122.420 122.420 123.552 -1.132 25910 252 1 1 . 1 1 46 46 TYR HA H 46 4.375 4.375 5.221 -0.846 25910 253 1 1 . 1 1 46 46 TYR C C 46 173.077 173.077 174.144 -1.067 25910 254 1 1 . 1 1 46 46 TYR CA C 46 56.663 56.663 54.503 2.160 25910 255 1 1 . 1 1 46 46 TYR CB C 46 38.701 38.701 39.936 -1.235 25910 256 1 1 . 1 1 46 46 TYR H H 46 8.512 8.512 8.077 0.435 25910 257 1 1 . 1 1 47 47 ASP N N 47 130.329 130.329 122.678 7.651 25910 258 1 1 . 1 1 47 47 ASP HA H 47 4.520 4.520 4.920 -0.400 25910 259 1 1 . 1 1 47 47 ASP C C 47 174.266 174.266 176.008 -1.742 25910 260 1 1 . 1 1 47 47 ASP CA C 47 51.864 51.864 53.202 -1.338 25910 261 1 1 . 1 1 47 47 ASP CB C 47 42.670 42.670 43.832 -1.162 25910 262 1 1 . 1 1 47 47 ASP H H 47 7.613 7.613 8.763 -1.150 25910 263 1 1 . 1 1 48 48 ASP N N 48 126.699 126.699 126.416 0.283 25910 264 1 1 . 1 1 48 48 ASP HA H 48 4.019 4.019 4.446 -0.427 25910 265 1 1 . 1 1 48 48 ASP C C 48 177.981 177.981 177.366 0.615 25910 266 1 1 . 1 1 48 48 ASP CA C 48 56.198 56.198 56.660 -0.462 25910 267 1 1 . 1 1 48 48 ASP CB C 48 41.614 41.614 40.938 0.676 25910 268 1 1 . 1 1 48 48 ASP H H 48 8.422 8.422 8.841 -0.419 25910 269 1 1 . 1 1 49 49 ALA N N 49 121.819 121.819 121.006 0.813 25910 270 1 1 . 1 1 49 49 ALA HA H 49 4.021 4.021 4.178 -0.157 25910 271 1 1 . 1 1 49 49 ALA C C 49 179.522 179.522 179.236 0.286 25910 272 1 1 . 1 1 49 49 ALA CA C 49 54.829 54.829 54.539 0.290 25910 273 1 1 . 1 1 49 49 ALA CB C 49 18.168 18.168 18.516 -0.348 25910 274 1 1 . 1 1 49 49 ALA H H 49 8.202 8.202 8.176 0.026 25910 275 1 1 . 1 1 50 50 THR N N 50 105.089 105.089 111.311 -6.222 25910 276 1 1 . 1 1 50 50 THR HA H 50 4.318 4.318 4.359 -0.041 25910 277 1 1 . 1 1 50 50 THR C C 50 174.943 174.943 174.793 0.150 25910 278 1 1 . 1 1 50 50 THR CA C 50 60.343 60.343 62.327 -1.984 25910 279 1 1 . 1 1 50 50 THR CB C 50 69.532 69.532 69.459 0.073 25910 280 1 1 . 1 1 50 50 THR H H 50 6.890 6.890 8.460 -1.570 25910 281 1 1 . 1 1 51 51 LYS N N 51 125.512 125.512 115.229 10.283 25910 282 1 1 . 1 1 51 51 LYS HA H 51 4.079 4.079 3.790 0.289 25910 283 1 1 . 1 1 51 51 LYS C C 51 174.733 174.733 175.266 -0.533 25910 284 1 1 . 1 1 51 51 LYS CA C 51 57.119 57.119 57.518 -0.399 25910 285 1 1 . 1 1 51 51 LYS CB C 51 33.975 33.975 29.685 4.290 25910 286 1 1 . 1 1 51 51 LYS H H 51 7.764 7.764 7.934 -0.170 25910 287 1 1 . 1 1 52 52 THR N N 52 112.742 112.742 110.371 2.371 25910 288 1 1 . 1 1 52 52 THR HA H 52 5.437 5.437 5.347 0.090 25910 289 1 1 . 1 1 52 52 THR C C 52 174.733 174.733 173.693 1.040 25910 290 1 1 . 1 1 52 52 THR CA C 52 62.078 62.078 60.469 1.609 25910 291 1 1 . 1 1 52 52 THR CB C 52 63.076 63.076 70.722 -7.646 25910 292 1 1 . 1 1 52 52 THR H H 52 7.261 7.261 7.728 -0.467 25910 293 1 1 . 1 1 53 53 PHE N N 53 132.937 132.937 123.605 9.332 25910 294 1 1 . 1 1 53 53 PHE HA H 53 5.641 5.641 5.407 0.234 25910 295 1 1 . 1 1 53 53 PHE C C 53 174.377 174.377 173.944 0.433 25910 296 1 1 . 1 1 53 53 PHE CA C 53 56.995 56.995 56.331 0.664 25910 297 1 1 . 1 1 53 53 PHE CB C 53 42.679 42.679 42.360 0.319 25910 298 1 1 . 1 1 53 53 PHE H H 53 10.363 10.363 9.270 1.093 25910 299 1 1 . 1 1 54 54 THR N N 54 119.069 119.069 123.713 -4.644 25910 300 1 1 . 1 1 54 54 THR HA H 54 5.140 5.140 5.072 0.068 25910 301 1 1 . 1 1 54 54 THR C C 54 172.417 172.417 173.567 -1.150 25910 302 1 1 . 1 1 54 54 THR CA C 54 61.408 61.408 61.511 -0.103 25910 303 1 1 . 1 1 54 54 THR CB C 54 65.839 65.839 70.417 -4.578 25910 304 1 1 . 1 1 54 54 THR H H 54 9.011 9.011 9.217 -0.206 25910 305 1 1 . 1 1 55 55 VAL N N 55 125.268 125.268 128.091 -2.823 25910 306 1 1 . 1 1 55 55 VAL HA H 55 4.382 4.382 4.151 0.231 25910 307 1 1 . 1 1 55 55 VAL CA C 55 57.834 57.834 60.580 -2.746 25910 308 1 1 . 1 1 55 55 VAL CB C 55 32.223 32.223 30.333 1.890 25910 309 1 1 . 1 1 55 55 VAL H H 55 8.122 8.122 8.701 -0.579 25910 310 1 1 . 1 1 56 56 THR N N 56 125.548 125.548 125.307 0.241 25910 311 1 1 . 1 1 56 56 THR C C 56 173.901 173.901 173.499 0.402 25910 312 1 1 . 1 1 56 56 THR CA C 56 61.272 61.272 62.477 -1.205 25910 313 1 1 . 1 1 56 56 THR H H 56 8.306 8.306 8.449 -0.143 25910 314 1 2 . 1 1 2 2 GLY N N 2 113.750 113.750 109.676 4.074 25910 315 1 2 . 1 1 2 2 GLY C C 2 176.605 176.605 174.133 2.472 25910 316 1 2 . 1 1 2 2 GLY CA C 2 44.589 44.589 44.771 -0.182 25910 317 1 2 . 1 1 2 2 GLY H H 2 8.454 8.454 8.361 0.093 25910 318 1 2 . 1 1 3 3 THR N N 3 118.182 118.182 118.602 -0.420 25910 319 1 2 . 1 1 3 3 THR HA H 3 4.594 4.594 4.486 0.108 25910 320 1 2 . 1 1 3 3 THR C C 3 173.943 173.943 173.730 0.213 25910 321 1 2 . 1 1 3 3 THR CA C 3 62.633 62.633 62.074 0.559 25910 322 1 2 . 1 1 3 3 THR CB C 3 72.413 72.413 69.472 2.942 25910 323 1 2 . 1 1 3 3 THR H H 3 8.076 8.076 7.971 0.105 25910 324 1 2 . 1 1 4 4 TYR N N 4 128.256 128.256 127.355 0.901 25910 325 1 2 . 1 1 4 4 TYR HA H 4 5.271 5.271 4.653 0.618 25910 326 1 2 . 1 1 4 4 TYR C C 4 174.213 174.213 175.335 -1.122 25910 327 1 2 . 1 1 4 4 TYR CA C 4 56.625 56.625 57.765 -1.140 25910 328 1 2 . 1 1 4 4 TYR CB C 4 42.657 42.657 38.583 4.074 25910 329 1 2 . 1 1 4 4 TYR H H 4 9.273 9.273 9.018 0.255 25910 330 1 2 . 1 1 5 5 LYS N N 5 124.678 124.678 125.207 -0.529 25910 331 1 2 . 1 1 5 5 LYS HA H 5 5.169 5.169 4.398 0.771 25910 332 1 2 . 1 1 5 5 LYS C C 5 172.616 172.616 175.064 -2.448 25910 333 1 2 . 1 1 5 5 LYS CA C 5 54.875 54.875 56.707 -1.832 25910 334 1 2 . 1 1 5 5 LYS CB C 5 28.908 28.908 33.157 -4.249 25910 335 1 2 . 1 1 5 5 LYS H H 5 9.075 9.075 8.467 0.608 25910 336 1 2 . 1 1 6 6 LEU N N 6 128.375 128.375 127.068 1.307 25910 337 1 2 . 1 1 6 6 LEU HA H 6 4.839 4.839 4.952 -0.113 25910 338 1 2 . 1 1 6 6 LEU C C 6 174.425 174.425 174.905 -0.480 25910 339 1 2 . 1 1 6 6 LEU CA C 6 52.459 52.459 52.692 -0.233 25910 340 1 2 . 1 1 6 6 LEU H H 6 8.541 8.541 8.700 -0.159 25910 341 1 2 . 1 1 7 7 ILE N N 7 128.123 128.123 127.853 0.270 25910 342 1 2 . 1 1 7 7 ILE HA H 7 4.221 4.221 4.502 -0.281 25910 343 1 2 . 1 1 7 7 ILE C C 7 174.566 174.566 174.014 0.552 25910 344 1 2 . 1 1 7 7 ILE CA C 7 60.226 60.226 60.056 0.170 25910 345 1 2 . 1 1 7 7 ILE CB C 7 37.977 37.977 39.622 -1.645 25910 346 1 2 . 1 1 7 7 ILE H H 7 9.020 9.020 8.604 0.416 25910 347 1 2 . 1 1 8 8 LEU N N 8 127.628 127.628 129.341 -1.713 25910 348 1 2 . 1 1 8 8 LEU HA H 8 4.383 4.383 4.370 0.013 25910 349 1 2 . 1 1 8 8 LEU C C 8 174.640 174.640 174.824 -0.184 25910 350 1 2 . 1 1 8 8 LEU CA C 8 54.428 54.428 54.183 0.245 25910 351 1 2 . 1 1 8 8 LEU CB C 8 42.014 42.014 43.330 -1.316 25910 352 1 2 . 1 1 8 8 LEU H H 8 8.640 8.640 8.825 -0.185 25910 353 1 2 . 1 1 9 9 ASN N N 9 128.380 128.380 124.622 3.758 25910 354 1 2 . 1 1 9 9 ASN HA H 9 5.214 5.214 4.918 0.296 25910 355 1 2 . 1 1 9 9 ASN C C 9 175.683 175.683 173.633 2.050 25910 356 1 2 . 1 1 9 9 ASN CA C 9 50.778 50.778 52.288 -1.510 25910 357 1 2 . 1 1 9 9 ASN CB C 9 37.691 37.691 41.657 -3.966 25910 358 1 2 . 1 1 9 9 ASN H H 9 8.830 8.830 8.580 0.250 25910 359 1 2 . 1 1 10 10 GLY N N 10 111.563 111.563 112.120 -0.557 25910 360 1 2 . 1 1 10 10 GLY C C 10 173.311 173.311 173.368 -0.057 25910 361 1 2 . 1 1 10 10 GLY CA C 10 44.735 44.735 44.586 0.149 25910 362 1 2 . 1 1 10 10 GLY H H 10 7.831 7.831 7.794 0.037 25910 363 1 2 . 1 1 11 11 LYS N N 11 122.942 122.942 119.989 2.953 25910 364 1 2 . 1 1 11 11 LYS HA H 11 3.990 3.990 4.228 -0.238 25910 365 1 2 . 1 1 11 11 LYS C C 11 178.822 178.822 176.311 2.511 25910 366 1 2 . 1 1 11 11 LYS CA C 11 58.885 58.885 58.015 0.870 25910 367 1 2 . 1 1 11 11 LYS CB C 11 32.330 32.330 31.566 0.764 25910 368 1 2 . 1 1 11 11 LYS H H 11 9.419 9.419 8.446 0.973 25910 369 1 2 . 1 1 12 12 THR N N 12 110.192 110.192 112.876 -2.684 25910 370 1 2 . 1 1 12 12 THR HA H 12 4.312 4.312 4.311 0.001 25910 371 1 2 . 1 1 12 12 THR C C 12 173.575 173.575 173.656 -0.081 25910 372 1 2 . 1 1 12 12 THR CA C 12 61.517 61.517 63.450 -1.933 25910 373 1 2 . 1 1 12 12 THR CB C 12 69.598 69.598 69.790 -0.192 25910 374 1 2 . 1 1 12 12 THR H H 12 8.743 8.743 8.302 0.441 25910 375 1 2 . 1 1 13 13 LEU N N 13 127.300 127.300 119.208 8.092 25910 376 1 2 . 1 1 13 13 LEU HA H 13 4.401 4.401 4.903 -0.502 25910 377 1 2 . 1 1 13 13 LEU C C 13 173.148 173.148 174.471 -1.323 25910 378 1 2 . 1 1 13 13 LEU CA C 13 54.953 54.953 53.266 1.687 25910 379 1 2 . 1 1 13 13 LEU CB C 13 43.166 43.166 44.193 -1.027 25910 380 1 2 . 1 1 13 13 LEU H H 13 7.273 7.273 7.470 -0.197 25910 381 1 2 . 1 1 14 14 LYS N N 14 125.544 125.544 118.586 6.958 25910 382 1 2 . 1 1 14 14 LYS HA H 14 5.097 5.097 4.879 0.218 25910 383 1 2 . 1 1 14 14 LYS C C 14 176.255 176.255 175.718 0.537 25910 384 1 2 . 1 1 14 14 LYS CA C 14 53.661 53.661 54.875 -1.214 25910 385 1 2 . 1 1 14 14 LYS CB C 14 34.743 34.743 35.848 -1.105 25910 386 1 2 . 1 1 14 14 LYS H H 14 8.062 8.062 8.140 -0.078 25910 387 1 2 . 1 1 15 15 GLY N N 15 111.144 111.144 107.371 3.773 25910 388 1 2 . 1 1 15 15 GLY C C 15 171.151 171.151 172.443 -1.292 25910 389 1 2 . 1 1 15 15 GLY CA C 15 45.006 45.006 45.215 -0.209 25910 390 1 2 . 1 1 15 15 GLY H H 15 8.349 8.349 8.425 -0.076 25910 391 1 2 . 1 1 16 16 GLU N N 16 120.581 120.581 122.512 -1.931 25910 392 1 2 . 1 1 16 16 GLU HA H 16 5.546 5.546 5.433 0.113 25910 393 1 2 . 1 1 16 16 GLU C C 16 175.034 175.034 175.198 -0.164 25910 394 1 2 . 1 1 16 16 GLU CA C 16 54.528 54.528 55.391 -0.863 25910 395 1 2 . 1 1 16 16 GLU CB C 16 33.817 33.817 33.431 0.386 25910 396 1 2 . 1 1 16 16 GLU H H 16 8.346 8.346 8.430 -0.084 25910 397 1 2 . 1 1 17 17 THR N N 17 117.658 117.658 118.604 -0.946 25910 398 1 2 . 1 1 17 17 THR HA H 17 4.622 4.622 4.778 -0.156 25910 399 1 2 . 1 1 17 17 THR C C 17 171.834 171.834 172.567 -0.733 25910 400 1 2 . 1 1 17 17 THR CA C 17 60.610 60.610 61.166 -0.556 25910 401 1 2 . 1 1 17 17 THR CB C 17 69.030 69.030 71.094 -2.064 25910 402 1 2 . 1 1 17 17 THR H H 17 8.636 8.636 8.815 -0.179 25910 403 1 2 . 1 1 18 18 THR N N 18 113.707 113.707 113.527 0.180 25910 404 1 2 . 1 1 18 18 THR HA H 18 5.794 5.794 5.100 0.694 25910 405 1 2 . 1 1 18 18 THR C C 18 173.871 173.871 173.885 -0.014 25910 406 1 2 . 1 1 18 18 THR CA C 18 59.750 59.750 61.029 -1.279 25910 407 1 2 . 1 1 18 18 THR CB C 18 73.077 73.077 71.589 1.488 25910 408 1 2 . 1 1 18 18 THR H H 18 7.970 7.970 8.455 -0.485 25910 409 1 2 . 1 1 19 19 THR N N 19 116.670 116.670 119.249 -2.579 25910 410 1 2 . 1 1 19 19 THR HA H 19 4.606 4.606 4.684 -0.078 25910 411 1 2 . 1 1 19 19 THR C C 19 171.009 171.009 172.860 -1.851 25910 412 1 2 . 1 1 19 19 THR CA C 19 62.179 62.179 61.694 0.485 25910 413 1 2 . 1 1 19 19 THR CB C 19 70.463 70.463 71.723 -1.260 25910 414 1 2 . 1 1 19 19 THR H H 19 9.018 9.018 8.463 0.555 25910 415 1 2 . 1 1 20 20 GLU N N 20 126.491 126.491 124.226 2.265 25910 416 1 2 . 1 1 20 20 GLU HA H 20 5.528 5.528 4.938 0.590 25910 417 1 2 . 1 1 20 20 GLU C C 20 176.205 176.205 175.559 0.646 25910 418 1 2 . 1 1 20 20 GLU CA C 20 54.574 54.574 55.300 -0.726 25910 419 1 2 . 1 1 20 20 GLU CB C 20 30.757 30.757 31.401 -0.645 25910 420 1 2 . 1 1 20 20 GLU H H 20 7.922 7.922 8.542 -0.620 25910 421 1 2 . 1 1 21 21 ALA N N 21 126.835 126.835 126.045 0.790 25910 422 1 2 . 1 1 21 21 ALA HA H 21 4.740 4.740 4.713 0.027 25910 423 1 2 . 1 1 21 21 ALA C C 21 177.223 177.223 176.240 0.983 25910 424 1 2 . 1 1 21 21 ALA CA C 21 50.945 50.945 51.676 -0.731 25910 425 1 2 . 1 1 21 21 ALA CB C 21 23.578 23.578 21.681 1.897 25910 426 1 2 . 1 1 21 21 ALA H H 21 9.183 9.183 8.377 0.806 25910 427 1 2 . 1 1 22 22 VAL N N 22 117.316 117.316 118.527 -1.211 25910 428 1 2 . 1 1 22 22 VAL HA H 22 4.137 4.137 4.348 -0.211 25910 429 1 2 . 1 1 22 22 VAL C C 22 174.432 174.432 174.723 -0.291 25910 430 1 2 . 1 1 22 22 VAL CA C 22 63.321 63.321 62.935 0.386 25910 431 1 2 . 1 1 22 22 VAL CB C 22 32.120 32.120 32.660 -0.540 25910 432 1 2 . 1 1 22 22 VAL H H 22 8.519 8.519 8.409 0.110 25910 433 1 2 . 1 1 23 23 ASP N N 23 116.395 116.395 117.233 -0.838 25910 434 1 2 . 1 1 23 23 ASP HA H 23 4.580 4.580 4.891 -0.311 25910 435 1 2 . 1 1 23 23 ASP C C 23 174.391 174.391 175.453 -1.062 25910 436 1 2 . 1 1 23 23 ASP CA C 23 52.345 52.345 53.553 -1.208 25910 437 1 2 . 1 1 23 23 ASP CB C 23 42.149 42.149 43.220 -1.071 25910 438 1 2 . 1 1 23 23 ASP H H 23 7.191 7.191 7.790 -0.599 25910 439 1 2 . 1 1 24 24 ALA N N 24 123.019 123.019 124.281 -1.262 25910 440 1 2 . 1 1 24 24 ALA HA H 24 3.349 3.349 3.511 -0.162 25910 441 1 2 . 1 1 24 24 ALA C C 24 179.001 179.001 178.388 0.613 25910 442 1 2 . 1 1 24 24 ALA CA C 24 54.346 54.346 55.079 -0.733 25910 443 1 2 . 1 1 24 24 ALA CB C 24 17.327 17.327 18.625 -1.298 25910 444 1 2 . 1 1 24 24 ALA H H 24 8.315 8.315 8.701 -0.386 25910 445 1 2 . 1 1 25 25 ALA N N 25 122.203 122.203 119.708 2.495 25910 446 1 2 . 1 1 25 25 ALA HA H 25 3.891 3.891 4.244 -0.353 25910 447 1 2 . 1 1 25 25 ALA C C 25 180.736 180.736 179.238 1.498 25910 448 1 2 . 1 1 25 25 ALA CA C 25 54.646 54.646 54.544 0.102 25910 449 1 2 . 1 1 25 25 ALA CB C 25 17.623 17.623 17.877 -0.254 25910 450 1 2 . 1 1 25 25 ALA H H 25 7.982 7.982 8.356 -0.374 25910 451 1 2 . 1 1 26 26 THR N N 26 118.231 118.231 115.699 2.532 25910 452 1 2 . 1 1 26 26 THR HA H 26 3.973 3.973 3.989 -0.016 25910 453 1 2 . 1 1 26 26 THR C C 26 175.969 175.969 176.074 -0.105 25910 454 1 2 . 1 1 26 26 THR CA C 26 66.690 66.690 65.935 0.755 25910 455 1 2 . 1 1 26 26 THR CB C 26 66.977 66.977 68.635 -1.658 25910 456 1 2 . 1 1 26 26 THR H H 26 8.258 8.258 7.481 0.777 25910 457 1 2 . 1 1 27 27 ALA N N 27 125.522 125.522 124.374 1.148 25910 458 1 2 . 1 1 27 27 ALA HA H 27 3.008 3.008 3.963 -0.955 25910 459 1 2 . 1 1 27 27 ALA C C 27 176.928 176.928 178.746 -1.818 25910 460 1 2 . 1 1 27 27 ALA CA C 27 54.544 54.544 55.401 -0.857 25910 461 1 2 . 1 1 27 27 ALA CB C 27 17.299 17.299 18.039 -0.740 25910 462 1 2 . 1 1 27 27 ALA H H 27 6.992 6.992 7.622 -0.630 25910 463 1 2 . 1 1 28 28 GLU N N 28 118.584 118.584 118.832 -0.248 25910 464 1 2 . 1 1 28 28 GLU HA H 28 2.575 2.575 3.706 -1.131 25910 465 1 2 . 1 1 28 28 GLU C C 28 177.127 177.127 178.578 -1.451 25910 466 1 2 . 1 1 28 28 GLU CA C 28 59.522 59.522 59.577 -0.055 25910 467 1 2 . 1 1 28 28 GLU CB C 28 32.612 32.612 29.340 3.272 25910 468 1 2 . 1 1 28 28 GLU H H 28 8.284 8.284 8.409 -0.125 25910 469 1 2 . 1 1 29 29 LYS N N 29 118.504 118.504 118.340 0.164 25910 470 1 2 . 1 1 29 29 LYS HA H 29 3.654 3.654 3.954 -0.300 25910 471 1 2 . 1 1 29 29 LYS C C 29 179.844 179.844 179.322 0.522 25910 472 1 2 . 1 1 29 29 LYS CA C 29 59.589 59.589 58.828 0.762 25910 473 1 2 . 1 1 29 29 LYS CB C 29 32.200 32.200 32.442 -0.242 25910 474 1 2 . 1 1 29 29 LYS H H 29 6.861 6.861 7.402 -0.541 25910 475 1 2 . 1 1 30 30 VAL N N 30 122.501 122.501 120.003 2.498 25910 476 1 2 . 1 1 30 30 VAL HA H 30 3.550 3.550 3.688 -0.138 25910 477 1 2 . 1 1 30 30 VAL C C 30 179.643 179.643 178.382 1.261 25910 478 1 2 . 1 1 30 30 VAL CA C 30 65.870 65.870 66.425 -0.555 25910 479 1 2 . 1 1 30 30 VAL CB C 30 31.729 31.729 31.793 -0.064 25910 480 1 2 . 1 1 30 30 VAL H H 30 7.203 7.203 7.651 -0.448 25910 481 1 2 . 1 1 31 31 PHE N N 31 122.601 122.601 118.307 4.294 25910 482 1 2 . 1 1 31 31 PHE C C 31 178.161 178.161 177.382 0.779 25910 483 1 2 . 1 1 31 31 PHE CA C 31 55.903 55.903 60.596 -4.692 25910 484 1 2 . 1 1 31 31 PHE H H 31 8.398 8.398 8.745 -0.347 25910 485 1 2 . 1 1 32 32 LYS N N 32 124.739 124.739 121.345 3.394 25910 486 1 2 . 1 1 32 32 LYS HA H 32 4.085 4.085 4.078 0.007 25910 487 1 2 . 1 1 32 32 LYS C C 32 179.432 179.432 178.437 0.995 25910 488 1 2 . 1 1 32 32 LYS CA C 32 59.714 59.714 60.490 -0.776 25910 489 1 2 . 1 1 32 32 LYS CB C 32 31.660 31.660 32.038 -0.377 25910 490 1 2 . 1 1 32 32 LYS H H 32 9.078 9.078 7.827 1.251 25910 491 1 2 . 1 1 33 33 GLN N N 33 121.561 121.561 117.696 3.865 25910 492 1 2 . 1 1 33 33 GLN HA H 33 3.986 3.986 4.004 -0.018 25910 493 1 2 . 1 1 33 33 GLN C C 33 176.867 176.867 178.244 -1.377 25910 494 1 2 . 1 1 33 33 GLN CA C 33 58.531 58.531 59.152 -0.621 25910 495 1 2 . 1 1 33 33 GLN CB C 33 27.914 27.914 28.576 -0.662 25910 496 1 2 . 1 1 33 33 GLN H H 33 7.325 7.325 7.798 -0.473 25910 497 1 2 . 1 1 34 34 TYR N N 34 122.729 122.729 120.573 2.156 25910 498 1 2 . 1 1 34 34 TYR HA H 34 4.206 4.206 4.193 0.013 25910 499 1 2 . 1 1 34 34 TYR C C 34 178.875 178.875 177.196 1.679 25910 500 1 2 . 1 1 34 34 TYR CA C 34 61.673 61.673 61.047 0.626 25910 501 1 2 . 1 1 34 34 TYR CB C 34 38.779 38.779 38.240 0.539 25910 502 1 2 . 1 1 34 34 TYR H H 34 8.165 8.165 8.276 -0.111 25910 503 1 2 . 1 1 35 35 ALA N N 35 124.565 124.565 121.134 3.431 25910 504 1 2 . 1 1 35 35 ALA HA H 35 3.754 3.754 3.554 0.200 25910 505 1 2 . 1 1 35 35 ALA C C 35 174.251 174.251 179.394 -5.143 25910 506 1 2 . 1 1 35 35 ALA CA C 35 56.260 56.260 55.137 1.123 25910 507 1 2 . 1 1 35 35 ALA CB C 35 17.622 17.622 18.055 -0.433 25910 508 1 2 . 1 1 35 35 ALA H H 35 9.126 9.126 8.555 0.571 25910 509 1 2 . 1 1 36 36 ASN N N 36 119.406 119.406 117.773 1.633 25910 510 1 2 . 1 1 36 36 ASN HA H 36 4.370 4.370 4.438 -0.068 25910 511 1 2 . 1 1 36 36 ASN C C 36 179.225 179.225 178.041 1.184 25910 512 1 2 . 1 1 36 36 ASN CA C 36 56.845 56.845 56.082 0.763 25910 513 1 2 . 1 1 36 36 ASN CB C 36 38.724 38.724 38.738 -0.014 25910 514 1 2 . 1 1 36 36 ASN H H 36 8.156 8.156 8.502 -0.346 25910 515 1 2 . 1 1 37 37 ASP N N 37 123.289 123.289 120.568 2.721 25910 516 1 2 . 1 1 37 37 ASP HA H 37 4.291 4.291 4.455 -0.164 25910 517 1 2 . 1 1 37 37 ASP C C 37 176.917 176.917 178.050 -1.133 25910 518 1 2 . 1 1 37 37 ASP CA C 37 56.791 56.791 56.602 0.189 25910 519 1 2 . 1 1 37 37 ASP CB C 37 41.927 41.927 40.969 0.958 25910 520 1 2 . 1 1 37 37 ASP H H 37 8.854 8.854 8.638 0.216 25910 521 1 2 . 1 1 38 38 ASN N N 38 117.154 117.154 116.379 0.775 25910 522 1 2 . 1 1 38 38 ASN HA H 38 4.528 4.528 4.669 -0.141 25910 523 1 2 . 1 1 38 38 ASN C C 38 173.809 173.809 175.477 -1.668 25910 524 1 2 . 1 1 38 38 ASN CA C 38 53.604 53.604 52.544 1.060 25910 525 1 2 . 1 1 38 38 ASN H H 38 7.302 7.302 7.949 -0.647 25910 526 1 2 . 1 1 39 39 GLY N N 39 109.931 109.931 107.430 2.501 25910 527 1 2 . 1 1 39 39 GLY C C 39 177.482 177.482 173.057 4.425 25910 528 1 2 . 1 1 39 39 GLY CA C 39 46.647 46.647 45.397 1.250 25910 529 1 2 . 1 1 39 39 GLY H H 39 7.716 7.716 7.719 -0.003 25910 530 1 2 . 1 1 40 40 VAL N N 40 122.793 122.793 118.788 4.005 25910 531 1 2 . 1 1 40 40 VAL HA H 40 4.099 4.099 4.858 -0.759 25910 532 1 2 . 1 1 40 40 VAL C C 40 173.752 173.752 173.893 -0.141 25910 533 1 2 . 1 1 40 40 VAL CA C 40 61.738 61.738 60.516 1.222 25910 534 1 2 . 1 1 40 40 VAL CB C 40 32.918 32.918 34.896 -1.978 25910 535 1 2 . 1 1 40 40 VAL H H 40 8.027 8.027 7.867 0.160 25910 536 1 2 . 1 1 41 41 ASP N N 41 129.935 129.935 124.612 5.323 25910 537 1 2 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.806 0.019 25910 538 1 2 . 1 1 41 41 ASP C C 41 174.270 174.270 174.918 -0.648 25910 539 1 2 . 1 1 41 41 ASP CA C 41 52.473 52.473 54.144 -1.671 25910 540 1 2 . 1 1 41 41 ASP CB C 41 42.513 42.513 43.278 -0.765 25910 541 1 2 . 1 1 41 41 ASP H H 41 8.588 8.588 8.356 0.232 25910 542 1 2 . 1 1 42 42 GLY N N 42 109.126 109.126 109.581 -0.455 25910 543 1 2 . 1 1 42 42 GLY C C 42 171.778 171.778 172.733 -0.955 25910 544 1 2 . 1 1 42 42 GLY CA C 42 45.243 45.243 44.069 1.173 25910 545 1 2 . 1 1 42 42 GLY H H 42 7.672 7.672 7.877 -0.205 25910 546 1 2 . 1 1 43 43 GLU N N 43 122.448 122.448 120.527 1.921 25910 547 1 2 . 1 1 43 43 GLU HA H 43 4.628 4.628 4.559 0.069 25910 548 1 2 . 1 1 43 43 GLU C C 43 176.874 176.874 176.858 0.016 25910 549 1 2 . 1 1 43 43 GLU CA C 43 55.350 55.350 55.551 -0.201 25910 550 1 2 . 1 1 43 43 GLU CB C 43 31.207 31.207 30.778 0.429 25910 551 1 2 . 1 1 43 43 GLU H H 43 8.089 8.089 8.299 -0.210 25910 552 1 2 . 1 1 44 44 TRP N N 44 130.232 130.232 128.059 2.173 25910 553 1 2 . 1 1 44 44 TRP HA H 44 5.313 5.313 5.161 0.152 25910 554 1 2 . 1 1 44 44 TRP C C 44 176.867 176.867 176.796 0.071 25910 555 1 2 . 1 1 44 44 TRP CA C 44 57.688 57.688 56.594 1.094 25910 556 1 2 . 1 1 44 44 TRP CB C 44 30.268 30.268 29.533 0.735 25910 557 1 2 . 1 1 44 44 TRP H H 44 9.284 9.284 9.048 0.236 25910 558 1 2 . 1 1 45 45 THR N N 45 116.544 116.544 121.846 -5.302 25910 559 1 2 . 1 1 45 45 THR HA H 45 4.626 4.626 4.871 -0.245 25910 560 1 2 . 1 1 45 45 THR C C 45 172.518 172.518 172.932 -0.414 25910 561 1 2 . 1 1 45 45 THR CA C 45 60.392 60.392 61.640 -1.248 25910 562 1 2 . 1 1 45 45 THR CB C 45 72.517 72.517 70.642 1.875 25910 563 1 2 . 1 1 45 45 THR H H 45 9.192 9.192 9.140 0.052 25910 564 1 2 . 1 1 46 46 TYR N N 46 122.420 122.420 125.524 -3.104 25910 565 1 2 . 1 1 46 46 TYR HA H 46 4.375 4.375 4.523 -0.148 25910 566 1 2 . 1 1 46 46 TYR C C 46 173.077 173.077 174.649 -1.572 25910 567 1 2 . 1 1 46 46 TYR CA C 46 56.663 56.663 55.387 1.276 25910 568 1 2 . 1 1 46 46 TYR CB C 46 38.701 38.701 38.654 0.047 25910 569 1 2 . 1 1 46 46 TYR H H 46 8.512 8.512 8.597 -0.085 25910 570 1 2 . 1 1 47 47 ASP N N 47 130.329 130.329 123.971 6.358 25910 571 1 2 . 1 1 47 47 ASP HA H 47 4.520 4.520 4.688 -0.168 25910 572 1 2 . 1 1 47 47 ASP C C 47 174.266 174.266 176.036 -1.770 25910 573 1 2 . 1 1 47 47 ASP CA C 47 51.864 51.864 52.742 -0.878 25910 574 1 2 . 1 1 47 47 ASP CB C 47 42.670 42.670 41.352 1.318 25910 575 1 2 . 1 1 47 47 ASP H H 47 7.613 7.613 8.657 -1.044 25910 576 1 2 . 1 1 48 48 ASP N N 48 126.699 126.699 124.440 2.259 25910 577 1 2 . 1 1 48 48 ASP HA H 48 4.019 4.019 4.430 -0.411 25910 578 1 2 . 1 1 48 48 ASP C C 48 177.981 177.981 177.013 0.968 25910 579 1 2 . 1 1 48 48 ASP CA C 48 56.198 56.198 56.611 -0.413 25910 580 1 2 . 1 1 48 48 ASP CB C 48 41.614 41.614 40.737 0.877 25910 581 1 2 . 1 1 48 48 ASP H H 48 8.422 8.422 8.739 -0.317 25910 582 1 2 . 1 1 49 49 ALA N N 49 121.819 121.819 123.191 -1.372 25910 583 1 2 . 1 1 49 49 ALA HA H 49 4.021 4.021 4.205 -0.184 25910 584 1 2 . 1 1 49 49 ALA C C 49 179.522 179.522 179.551 -0.029 25910 585 1 2 . 1 1 49 49 ALA CA C 49 54.829 54.829 54.361 0.468 25910 586 1 2 . 1 1 49 49 ALA CB C 49 18.168 18.168 18.909 -0.741 25910 587 1 2 . 1 1 49 49 ALA H H 49 8.202 8.202 8.019 0.183 25910 588 1 2 . 1 1 50 50 THR N N 50 105.089 105.089 112.532 -7.443 25910 589 1 2 . 1 1 50 50 THR HA H 50 4.318 4.318 4.253 0.065 25910 590 1 2 . 1 1 50 50 THR C C 50 174.943 174.943 174.799 0.144 25910 591 1 2 . 1 1 50 50 THR CA C 50 60.343 60.343 63.142 -2.799 25910 592 1 2 . 1 1 50 50 THR CB C 50 69.532 69.532 69.487 0.045 25910 593 1 2 . 1 1 50 50 THR H H 50 6.890 6.890 8.239 -1.349 25910 594 1 2 . 1 1 51 51 LYS N N 51 125.512 125.512 118.907 6.605 25910 595 1 2 . 1 1 51 51 LYS HA H 51 4.079 4.079 4.025 0.054 25910 596 1 2 . 1 1 51 51 LYS C C 51 174.733 174.733 174.731 0.002 25910 597 1 2 . 1 1 51 51 LYS CA C 51 57.119 57.119 57.370 -0.251 25910 598 1 2 . 1 1 51 51 LYS CB C 51 33.975 33.975 31.713 2.262 25910 599 1 2 . 1 1 51 51 LYS H H 51 7.764 7.764 8.197 -0.433 25910 600 1 2 . 1 1 52 52 THR N N 52 112.742 112.742 108.993 3.749 25910 601 1 2 . 1 1 52 52 THR HA H 52 5.437 5.437 4.901 0.536 25910 602 1 2 . 1 1 52 52 THR C C 52 174.733 174.733 172.429 2.304 25910 603 1 2 . 1 1 52 52 THR CA C 52 62.078 62.078 60.677 1.401 25910 604 1 2 . 1 1 52 52 THR CB C 52 63.076 63.076 72.127 -9.051 25910 605 1 2 . 1 1 52 52 THR H H 52 7.261 7.261 8.194 -0.933 25910 606 1 2 . 1 1 53 53 PHE N N 53 132.937 132.937 123.146 9.791 25910 607 1 2 . 1 1 53 53 PHE HA H 53 5.641 5.641 5.316 0.325 25910 608 1 2 . 1 1 53 53 PHE C C 53 174.377 174.377 173.897 0.480 25910 609 1 2 . 1 1 53 53 PHE CA C 53 56.995 56.995 56.126 0.869 25910 610 1 2 . 1 1 53 53 PHE CB C 53 42.679 42.679 41.795 0.884 25910 611 1 2 . 1 1 53 53 PHE H H 53 10.363 10.363 9.172 1.191 25910 612 1 2 . 1 1 54 54 THR N N 54 119.069 119.069 123.801 -4.732 25910 613 1 2 . 1 1 54 54 THR HA H 54 5.140 5.140 5.097 0.043 25910 614 1 2 . 1 1 54 54 THR C C 54 172.417 172.417 173.324 -0.907 25910 615 1 2 . 1 1 54 54 THR CA C 54 61.408 61.408 61.118 0.290 25910 616 1 2 . 1 1 54 54 THR CB C 54 65.839 65.839 70.732 -4.893 25910 617 1 2 . 1 1 54 54 THR H H 54 9.011 9.011 8.577 0.434 25910 618 1 2 . 1 1 55 55 VAL N N 55 125.268 125.268 127.119 -1.851 25910 619 1 2 . 1 1 55 55 VAL HA H 55 4.382 4.382 4.156 0.226 25910 620 1 2 . 1 1 55 55 VAL CA C 55 57.834 57.834 60.599 -2.765 25910 621 1 2 . 1 1 55 55 VAL CB C 55 32.223 32.223 30.714 1.509 25910 622 1 2 . 1 1 55 55 VAL H H 55 8.122 8.122 8.675 -0.553 25910 623 1 2 . 1 1 56 56 THR N N 56 125.548 125.548 125.213 0.335 25910 624 1 2 . 1 1 56 56 THR C C 56 173.901 173.901 173.406 0.495 25910 625 1 2 . 1 1 56 56 THR CA C 56 61.272 61.272 62.483 -1.211 25910 626 1 2 . 1 1 56 56 THR H H 56 8.306 8.306 8.855 -0.549 25910 627 1 3 . 1 1 2 2 GLY N N 2 113.750 113.750 111.743 2.007 25910 628 1 3 . 1 1 2 2 GLY C C 2 176.605 176.605 171.920 4.685 25910 629 1 3 . 1 1 2 2 GLY CA C 2 44.589 44.589 45.454 -0.865 25910 630 1 3 . 1 1 2 2 GLY H H 2 8.454 8.454 8.736 -0.282 25910 631 1 3 . 1 1 3 3 THR N N 3 118.182 118.182 116.726 1.456 25910 632 1 3 . 1 1 3 3 THR HA H 3 4.594 4.594 4.757 -0.163 25910 633 1 3 . 1 1 3 3 THR C C 3 173.943 173.943 173.690 0.253 25910 634 1 3 . 1 1 3 3 THR CA C 3 62.633 62.633 62.532 0.101 25910 635 1 3 . 1 1 3 3 THR CB C 3 72.413 72.413 68.924 3.489 25910 636 1 3 . 1 1 3 3 THR H H 3 8.076 8.076 8.141 -0.065 25910 637 1 3 . 1 1 4 4 TYR N N 4 128.256 128.256 127.220 1.036 25910 638 1 3 . 1 1 4 4 TYR HA H 4 5.271 5.271 4.899 0.372 25910 639 1 3 . 1 1 4 4 TYR C C 4 174.213 174.213 175.725 -1.512 25910 640 1 3 . 1 1 4 4 TYR CA C 4 56.625 56.625 57.698 -1.073 25910 641 1 3 . 1 1 4 4 TYR CB C 4 42.657 42.657 40.623 2.034 25910 642 1 3 . 1 1 4 4 TYR H H 4 9.273 9.273 9.338 -0.065 25910 643 1 3 . 1 1 5 5 LYS N N 5 124.678 124.678 123.844 0.834 25910 644 1 3 . 1 1 5 5 LYS HA H 5 5.169 5.169 4.680 0.489 25910 645 1 3 . 1 1 5 5 LYS C C 5 172.616 172.616 175.091 -2.475 25910 646 1 3 . 1 1 5 5 LYS CA C 5 54.875 54.875 55.742 -0.867 25910 647 1 3 . 1 1 5 5 LYS CB C 5 28.908 28.908 33.034 -4.126 25910 648 1 3 . 1 1 5 5 LYS H H 5 9.075 9.075 9.251 -0.176 25910 649 1 3 . 1 1 6 6 LEU N N 6 128.375 128.375 127.462 0.913 25910 650 1 3 . 1 1 6 6 LEU HA H 6 4.839 4.839 4.907 -0.068 25910 651 1 3 . 1 1 6 6 LEU C C 6 174.425 174.425 174.978 -0.553 25910 652 1 3 . 1 1 6 6 LEU CA C 6 52.459 52.459 53.657 -1.198 25910 653 1 3 . 1 1 6 6 LEU H H 6 8.541 8.541 8.824 -0.283 25910 654 1 3 . 1 1 7 7 ILE N N 7 128.123 128.123 126.890 1.233 25910 655 1 3 . 1 1 7 7 ILE HA H 7 4.221 4.221 4.613 -0.392 25910 656 1 3 . 1 1 7 7 ILE C C 7 174.566 174.566 174.099 0.467 25910 657 1 3 . 1 1 7 7 ILE CA C 7 60.226 60.226 59.909 0.317 25910 658 1 3 . 1 1 7 7 ILE CB C 7 37.977 37.977 40.457 -2.480 25910 659 1 3 . 1 1 7 7 ILE H H 7 9.020 9.020 9.000 0.020 25910 660 1 3 . 1 1 8 8 LEU N N 8 127.628 127.628 128.612 -0.984 25910 661 1 3 . 1 1 8 8 LEU HA H 8 4.383 4.383 4.477 -0.094 25910 662 1 3 . 1 1 8 8 LEU C C 8 174.640 174.640 175.296 -0.656 25910 663 1 3 . 1 1 8 8 LEU CA C 8 54.428 54.428 53.996 0.432 25910 664 1 3 . 1 1 8 8 LEU CB C 8 42.014 42.014 42.470 -0.456 25910 665 1 3 . 1 1 8 8 LEU H H 8 8.640 8.640 8.994 -0.354 25910 666 1 3 . 1 1 9 9 ASN N N 9 128.380 128.380 123.521 4.859 25910 667 1 3 . 1 1 9 9 ASN HA H 9 5.214 5.214 4.918 0.296 25910 668 1 3 . 1 1 9 9 ASN C C 9 175.683 175.683 174.561 1.122 25910 669 1 3 . 1 1 9 9 ASN CA C 9 50.778 50.778 51.889 -1.111 25910 670 1 3 . 1 1 9 9 ASN CB C 9 37.691 37.691 40.325 -2.634 25910 671 1 3 . 1 1 9 9 ASN H H 9 8.830 8.830 8.925 -0.095 25910 672 1 3 . 1 1 10 10 GLY N N 10 111.563 111.563 109.889 1.674 25910 673 1 3 . 1 1 10 10 GLY C C 10 173.311 173.311 174.358 -1.047 25910 674 1 3 . 1 1 10 10 GLY CA C 10 44.735 44.735 44.334 0.401 25910 675 1 3 . 1 1 10 10 GLY H H 10 7.831 7.831 8.131 -0.300 25910 676 1 3 . 1 1 11 11 LYS N N 11 122.942 122.942 118.999 3.943 25910 677 1 3 . 1 1 11 11 LYS HA H 11 3.990 3.990 4.255 -0.265 25910 678 1 3 . 1 1 11 11 LYS C C 11 178.822 178.822 176.874 1.948 25910 679 1 3 . 1 1 11 11 LYS CA C 11 58.885 58.885 57.837 1.048 25910 680 1 3 . 1 1 11 11 LYS CB C 11 32.330 32.330 32.676 -0.346 25910 681 1 3 . 1 1 11 11 LYS H H 11 9.419 9.419 8.645 0.774 25910 682 1 3 . 1 1 12 12 THR N N 12 110.192 110.192 111.831 -1.639 25910 683 1 3 . 1 1 12 12 THR HA H 12 4.312 4.312 4.333 -0.021 25910 684 1 3 . 1 1 12 12 THR C C 12 173.575 173.575 173.608 -0.033 25910 685 1 3 . 1 1 12 12 THR CA C 12 61.517 61.517 62.558 -1.041 25910 686 1 3 . 1 1 12 12 THR CB C 12 69.598 69.598 69.837 -0.239 25910 687 1 3 . 1 1 12 12 THR H H 12 8.743 8.743 8.167 0.576 25910 688 1 3 . 1 1 13 13 LEU N N 13 127.300 127.300 119.377 7.923 25910 689 1 3 . 1 1 13 13 LEU HA H 13 4.401 4.401 4.928 -0.527 25910 690 1 3 . 1 1 13 13 LEU C C 13 173.148 173.148 174.388 -1.240 25910 691 1 3 . 1 1 13 13 LEU CA C 13 54.953 54.953 53.127 1.826 25910 692 1 3 . 1 1 13 13 LEU CB C 13 43.166 43.166 44.335 -1.169 25910 693 1 3 . 1 1 13 13 LEU H H 13 7.273 7.273 7.573 -0.300 25910 694 1 3 . 1 1 14 14 LYS N N 14 125.544 125.544 118.882 6.662 25910 695 1 3 . 1 1 14 14 LYS HA H 14 5.097 5.097 5.133 -0.036 25910 696 1 3 . 1 1 14 14 LYS C C 14 176.255 176.255 175.379 0.876 25910 697 1 3 . 1 1 14 14 LYS CA C 14 53.661 53.661 54.870 -1.209 25910 698 1 3 . 1 1 14 14 LYS CB C 14 34.743 34.743 36.452 -1.709 25910 699 1 3 . 1 1 14 14 LYS H H 14 8.062 8.062 8.272 -0.210 25910 700 1 3 . 1 1 15 15 GLY N N 15 111.144 111.144 107.783 3.361 25910 701 1 3 . 1 1 15 15 GLY C C 15 171.151 171.151 172.093 -0.942 25910 702 1 3 . 1 1 15 15 GLY CA C 15 45.006 45.006 45.483 -0.476 25910 703 1 3 . 1 1 15 15 GLY H H 15 8.349 8.349 8.361 -0.012 25910 704 1 3 . 1 1 16 16 GLU N N 16 120.581 120.581 121.916 -1.335 25910 705 1 3 . 1 1 16 16 GLU HA H 16 5.546 5.546 5.452 0.094 25910 706 1 3 . 1 1 16 16 GLU C C 16 175.034 175.034 174.888 0.146 25910 707 1 3 . 1 1 16 16 GLU CA C 16 54.528 54.528 55.355 -0.827 25910 708 1 3 . 1 1 16 16 GLU CB C 16 33.817 33.817 32.324 1.493 25910 709 1 3 . 1 1 16 16 GLU H H 16 8.346 8.346 8.710 -0.364 25910 710 1 3 . 1 1 17 17 THR N N 17 117.658 117.658 117.726 -0.068 25910 711 1 3 . 1 1 17 17 THR HA H 17 4.622 4.622 4.834 -0.212 25910 712 1 3 . 1 1 17 17 THR C C 17 171.834 171.834 172.749 -0.915 25910 713 1 3 . 1 1 17 17 THR CA C 17 60.610 60.610 60.300 0.310 25910 714 1 3 . 1 1 17 17 THR CB C 17 69.030 69.030 71.413 -2.383 25910 715 1 3 . 1 1 17 17 THR H H 17 8.636 8.636 8.842 -0.206 25910 716 1 3 . 1 1 18 18 THR N N 18 113.707 113.707 113.340 0.367 25910 717 1 3 . 1 1 18 18 THR HA H 18 5.794 5.794 5.645 0.149 25910 718 1 3 . 1 1 18 18 THR C C 18 173.871 173.871 174.162 -0.291 25910 719 1 3 . 1 1 18 18 THR CA C 18 59.750 59.750 60.661 -0.911 25910 720 1 3 . 1 1 18 18 THR CB C 18 73.077 73.077 71.947 1.130 25910 721 1 3 . 1 1 18 18 THR H H 18 7.970 7.970 8.384 -0.414 25910 722 1 3 . 1 1 19 19 THR N N 19 116.670 116.670 119.427 -2.757 25910 723 1 3 . 1 1 19 19 THR HA H 19 4.606 4.606 4.733 -0.127 25910 724 1 3 . 1 1 19 19 THR C C 19 171.009 171.009 172.853 -1.844 25910 725 1 3 . 1 1 19 19 THR CA C 19 62.179 62.179 61.781 0.398 25910 726 1 3 . 1 1 19 19 THR CB C 19 70.463 70.463 71.840 -1.377 25910 727 1 3 . 1 1 19 19 THR H H 19 9.018 9.018 8.683 0.335 25910 728 1 3 . 1 1 20 20 GLU N N 20 126.491 126.491 124.640 1.851 25910 729 1 3 . 1 1 20 20 GLU HA H 20 5.528 5.528 5.411 0.117 25910 730 1 3 . 1 1 20 20 GLU C C 20 176.205 176.205 175.410 0.795 25910 731 1 3 . 1 1 20 20 GLU CA C 20 54.574 54.574 54.675 -0.101 25910 732 1 3 . 1 1 20 20 GLU CB C 20 30.757 30.757 31.429 -0.672 25910 733 1 3 . 1 1 20 20 GLU H H 20 7.922 7.922 8.655 -0.733 25910 734 1 3 . 1 1 21 21 ALA N N 21 126.835 126.835 126.100 0.735 25910 735 1 3 . 1 1 21 21 ALA HA H 21 4.740 4.740 4.652 0.088 25910 736 1 3 . 1 1 21 21 ALA C C 21 177.223 177.223 176.495 0.728 25910 737 1 3 . 1 1 21 21 ALA CA C 21 50.945 50.945 51.046 -0.101 25910 738 1 3 . 1 1 21 21 ALA CB C 21 23.578 23.578 21.560 2.018 25910 739 1 3 . 1 1 21 21 ALA H H 21 9.183 9.183 8.807 0.376 25910 740 1 3 . 1 1 22 22 VAL N N 22 117.316 117.316 118.722 -1.406 25910 741 1 3 . 1 1 22 22 VAL HA H 22 4.137 4.137 3.954 0.183 25910 742 1 3 . 1 1 22 22 VAL C C 22 174.432 174.432 174.913 -0.481 25910 743 1 3 . 1 1 22 22 VAL CA C 22 63.321 63.321 64.796 -1.476 25910 744 1 3 . 1 1 22 22 VAL CB C 22 32.120 32.120 32.248 -0.128 25910 745 1 3 . 1 1 22 22 VAL H H 22 8.519 8.519 8.704 -0.185 25910 746 1 3 . 1 1 23 23 ASP N N 23 116.395 116.395 114.905 1.490 25910 747 1 3 . 1 1 23 23 ASP HA H 23 4.580 4.580 4.975 -0.395 25910 748 1 3 . 1 1 23 23 ASP C C 23 174.391 174.391 175.958 -1.567 25910 749 1 3 . 1 1 23 23 ASP CA C 23 52.345 52.345 53.232 -0.887 25910 750 1 3 . 1 1 23 23 ASP CB C 23 42.149 42.149 42.789 -0.640 25910 751 1 3 . 1 1 23 23 ASP H H 23 7.191 7.191 7.763 -0.572 25910 752 1 3 . 1 1 24 24 ALA N N 24 123.019 123.019 123.011 0.008 25910 753 1 3 . 1 1 24 24 ALA HA H 24 3.349 3.349 3.569 -0.220 25910 754 1 3 . 1 1 24 24 ALA C C 24 179.001 179.001 178.341 0.660 25910 755 1 3 . 1 1 24 24 ALA CA C 24 54.346 54.346 55.231 -0.885 25910 756 1 3 . 1 1 24 24 ALA CB C 24 17.327 17.327 18.573 -1.246 25910 757 1 3 . 1 1 24 24 ALA H H 24 8.315 8.315 8.727 -0.412 25910 758 1 3 . 1 1 25 25 ALA N N 25 122.203 122.203 120.846 1.357 25910 759 1 3 . 1 1 25 25 ALA HA H 25 3.891 3.891 3.920 -0.029 25910 760 1 3 . 1 1 25 25 ALA C C 25 180.736 180.736 179.151 1.585 25910 761 1 3 . 1 1 25 25 ALA CA C 25 54.646 54.646 54.927 -0.281 25910 762 1 3 . 1 1 25 25 ALA CB C 25 17.623 17.623 17.639 -0.016 25910 763 1 3 . 1 1 25 25 ALA H H 25 7.982 7.982 8.381 -0.399 25910 764 1 3 . 1 1 26 26 THR N N 26 118.231 118.231 115.120 3.111 25910 765 1 3 . 1 1 26 26 THR HA H 26 3.973 3.973 3.836 0.137 25910 766 1 3 . 1 1 26 26 THR C C 26 175.969 175.969 176.284 -0.315 25910 767 1 3 . 1 1 26 26 THR CA C 26 66.690 66.690 66.116 0.574 25910 768 1 3 . 1 1 26 26 THR CB C 26 66.977 66.977 68.344 -1.367 25910 769 1 3 . 1 1 26 26 THR H H 26 8.258 8.258 7.556 0.702 25910 770 1 3 . 1 1 27 27 ALA N N 27 125.522 125.522 123.937 1.585 25910 771 1 3 . 1 1 27 27 ALA HA H 27 3.008 3.008 3.483 -0.475 25910 772 1 3 . 1 1 27 27 ALA C C 27 176.928 176.928 178.686 -1.758 25910 773 1 3 . 1 1 27 27 ALA CA C 27 54.544 54.544 54.761 -0.217 25910 774 1 3 . 1 1 27 27 ALA CB C 27 17.299 17.299 17.363 -0.064 25910 775 1 3 . 1 1 27 27 ALA H H 27 6.992 6.992 7.382 -0.390 25910 776 1 3 . 1 1 28 28 GLU N N 28 118.584 118.584 118.551 0.033 25910 777 1 3 . 1 1 28 28 GLU HA H 28 2.575 2.575 3.367 -0.792 25910 778 1 3 . 1 1 28 28 GLU C C 28 177.127 177.127 178.699 -1.572 25910 779 1 3 . 1 1 28 28 GLU CA C 28 59.522 59.522 59.275 0.247 25910 780 1 3 . 1 1 28 28 GLU CB C 28 32.612 32.612 29.292 3.320 25910 781 1 3 . 1 1 28 28 GLU H H 28 8.284 8.284 8.181 0.103 25910 782 1 3 . 1 1 29 29 LYS N N 29 118.504 118.504 118.086 0.418 25910 783 1 3 . 1 1 29 29 LYS HA H 29 3.654 3.654 3.780 -0.126 25910 784 1 3 . 1 1 29 29 LYS C C 29 179.844 179.844 179.589 0.255 25910 785 1 3 . 1 1 29 29 LYS CA C 29 59.589 59.589 59.074 0.515 25910 786 1 3 . 1 1 29 29 LYS CB C 29 32.200 32.200 32.356 -0.156 25910 787 1 3 . 1 1 29 29 LYS H H 29 6.861 6.861 7.824 -0.963 25910 788 1 3 . 1 1 30 30 VAL N N 30 122.501 122.501 120.267 2.234 25910 789 1 3 . 1 1 30 30 VAL HA H 30 3.550 3.550 3.779 -0.229 25910 790 1 3 . 1 1 30 30 VAL C C 30 179.643 179.643 178.764 0.879 25910 791 1 3 . 1 1 30 30 VAL CA C 30 65.870 65.870 65.722 0.148 25910 792 1 3 . 1 1 30 30 VAL CB C 30 31.729 31.729 31.697 0.032 25910 793 1 3 . 1 1 30 30 VAL H H 30 7.203 7.203 7.318 -0.115 25910 794 1 3 . 1 1 31 31 PHE N N 31 122.601 122.601 117.606 4.995 25910 795 1 3 . 1 1 31 31 PHE C C 31 178.161 178.161 177.490 0.671 25910 796 1 3 . 1 1 31 31 PHE CA C 31 55.903 55.903 60.039 -4.136 25910 797 1 3 . 1 1 31 31 PHE H H 31 8.398 8.398 8.483 -0.085 25910 798 1 3 . 1 1 32 32 LYS N N 32 124.739 124.739 119.910 4.829 25910 799 1 3 . 1 1 32 32 LYS HA H 32 4.085 4.085 4.039 0.046 25910 800 1 3 . 1 1 32 32 LYS C C 32 179.432 179.432 178.754 0.678 25910 801 1 3 . 1 1 32 32 LYS CA C 32 59.714 59.714 59.782 -0.068 25910 802 1 3 . 1 1 32 32 LYS CB C 32 31.660 31.660 31.909 -0.249 25910 803 1 3 . 1 1 32 32 LYS H H 32 9.078 9.078 7.567 1.511 25910 804 1 3 . 1 1 33 33 GLN N N 33 121.561 121.561 118.491 3.070 25910 805 1 3 . 1 1 33 33 GLN HA H 33 3.986 3.986 3.995 -0.009 25910 806 1 3 . 1 1 33 33 GLN C C 33 176.867 176.867 178.571 -1.704 25910 807 1 3 . 1 1 33 33 GLN CA C 33 58.531 58.531 58.927 -0.396 25910 808 1 3 . 1 1 33 33 GLN CB C 33 27.914 27.914 28.632 -0.718 25910 809 1 3 . 1 1 33 33 GLN H H 33 7.325 7.325 7.812 -0.487 25910 810 1 3 . 1 1 34 34 TYR N N 34 122.729 122.729 120.637 2.092 25910 811 1 3 . 1 1 34 34 TYR HA H 34 4.206 4.206 4.135 0.071 25910 812 1 3 . 1 1 34 34 TYR C C 34 178.875 178.875 177.273 1.602 25910 813 1 3 . 1 1 34 34 TYR CA C 34 61.673 61.673 60.215 1.458 25910 814 1 3 . 1 1 34 34 TYR CB C 34 38.779 38.779 38.210 0.569 25910 815 1 3 . 1 1 34 34 TYR H H 34 8.165 8.165 7.692 0.473 25910 816 1 3 . 1 1 35 35 ALA N N 35 124.565 124.565 120.897 3.668 25910 817 1 3 . 1 1 35 35 ALA HA H 35 3.754 3.754 3.503 0.251 25910 818 1 3 . 1 1 35 35 ALA C C 35 174.251 174.251 179.721 -5.470 25910 819 1 3 . 1 1 35 35 ALA CA C 35 56.260 56.260 55.188 1.072 25910 820 1 3 . 1 1 35 35 ALA CB C 35 17.622 17.622 18.167 -0.545 25910 821 1 3 . 1 1 35 35 ALA H H 35 9.126 9.126 8.489 0.637 25910 822 1 3 . 1 1 36 36 ASN N N 36 119.406 119.406 116.290 3.116 25910 823 1 3 . 1 1 36 36 ASN HA H 36 4.370 4.370 4.603 -0.233 25910 824 1 3 . 1 1 36 36 ASN C C 36 179.225 179.225 178.235 0.990 25910 825 1 3 . 1 1 36 36 ASN CA C 36 56.845 56.845 55.773 1.072 25910 826 1 3 . 1 1 36 36 ASN CB C 36 38.724 38.724 38.759 -0.035 25910 827 1 3 . 1 1 36 36 ASN H H 36 8.156 8.156 8.542 -0.386 25910 828 1 3 . 1 1 37 37 ASP N N 37 123.289 123.289 120.023 3.266 25910 829 1 3 . 1 1 37 37 ASP HA H 37 4.291 4.291 4.527 -0.236 25910 830 1 3 . 1 1 37 37 ASP C C 37 176.917 176.917 177.509 -0.592 25910 831 1 3 . 1 1 37 37 ASP CA C 37 56.791 56.791 56.185 0.605 25910 832 1 3 . 1 1 37 37 ASP CB C 37 41.927 41.927 41.199 0.728 25910 833 1 3 . 1 1 37 37 ASP H H 37 8.854 8.854 8.049 0.805 25910 834 1 3 . 1 1 38 38 ASN N N 38 117.154 117.154 116.105 1.049 25910 835 1 3 . 1 1 38 38 ASN HA H 38 4.528 4.528 4.815 -0.287 25910 836 1 3 . 1 1 38 38 ASN C C 38 173.809 173.809 175.379 -1.570 25910 837 1 3 . 1 1 38 38 ASN CA C 38 53.604 53.604 51.820 1.784 25910 838 1 3 . 1 1 38 38 ASN H H 38 7.302 7.302 7.554 -0.252 25910 839 1 3 . 1 1 39 39 GLY N N 39 109.931 109.931 108.216 1.715 25910 840 1 3 . 1 1 39 39 GLY C C 39 177.482 177.482 173.621 3.861 25910 841 1 3 . 1 1 39 39 GLY CA C 39 46.647 46.647 45.502 1.145 25910 842 1 3 . 1 1 39 39 GLY H H 39 7.716 7.716 7.485 0.231 25910 843 1 3 . 1 1 40 40 VAL N N 40 122.793 122.793 119.898 2.895 25910 844 1 3 . 1 1 40 40 VAL HA H 40 4.099 4.099 4.771 -0.672 25910 845 1 3 . 1 1 40 40 VAL C C 40 173.752 173.752 174.216 -0.464 25910 846 1 3 . 1 1 40 40 VAL CA C 40 61.738 61.738 60.276 1.462 25910 847 1 3 . 1 1 40 40 VAL CB C 40 32.918 32.918 33.099 -0.181 25910 848 1 3 . 1 1 40 40 VAL H H 40 8.027 8.027 7.828 0.199 25910 849 1 3 . 1 1 41 41 ASP N N 41 129.935 129.935 128.177 1.758 25910 850 1 3 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.812 0.013 25910 851 1 3 . 1 1 41 41 ASP C C 41 174.270 174.270 174.864 -0.594 25910 852 1 3 . 1 1 41 41 ASP CA C 41 52.473 52.473 53.821 -1.348 25910 853 1 3 . 1 1 41 41 ASP CB C 41 42.513 42.513 43.178 -0.665 25910 854 1 3 . 1 1 41 41 ASP H H 41 8.588 8.588 8.837 -0.249 25910 855 1 3 . 1 1 42 42 GLY N N 42 109.126 109.126 110.633 -1.507 25910 856 1 3 . 1 1 42 42 GLY C C 42 171.778 171.778 173.455 -1.677 25910 857 1 3 . 1 1 42 42 GLY CA C 42 45.243 45.243 43.995 1.248 25910 858 1 3 . 1 1 42 42 GLY H H 42 7.672 7.672 7.703 -0.031 25910 859 1 3 . 1 1 43 43 GLU N N 43 122.448 122.448 120.943 1.505 25910 860 1 3 . 1 1 43 43 GLU HA H 43 4.628 4.628 4.504 0.124 25910 861 1 3 . 1 1 43 43 GLU C C 43 176.874 176.874 176.047 0.827 25910 862 1 3 . 1 1 43 43 GLU CA C 43 55.350 55.350 55.225 0.125 25910 863 1 3 . 1 1 43 43 GLU CB C 43 31.207 31.207 30.676 0.531 25910 864 1 3 . 1 1 43 43 GLU H H 43 8.089 8.089 8.065 0.024 25910 865 1 3 . 1 1 44 44 TRP N N 44 130.232 130.232 126.632 3.600 25910 866 1 3 . 1 1 44 44 TRP HA H 44 5.313 5.313 5.017 0.296 25910 867 1 3 . 1 1 44 44 TRP C C 44 176.867 176.867 176.578 0.289 25910 868 1 3 . 1 1 44 44 TRP CA C 44 57.688 57.688 56.743 0.945 25910 869 1 3 . 1 1 44 44 TRP CB C 44 30.268 30.268 30.170 0.098 25910 870 1 3 . 1 1 44 44 TRP H H 44 9.284 9.284 8.779 0.505 25910 871 1 3 . 1 1 45 45 THR N N 45 116.544 116.544 119.415 -2.871 25910 872 1 3 . 1 1 45 45 THR HA H 45 4.626 4.626 4.853 -0.227 25910 873 1 3 . 1 1 45 45 THR C C 45 172.518 172.518 173.003 -0.485 25910 874 1 3 . 1 1 45 45 THR CA C 45 60.392 60.392 61.382 -0.990 25910 875 1 3 . 1 1 45 45 THR CB C 45 72.517 72.517 71.684 0.833 25910 876 1 3 . 1 1 45 45 THR H H 45 9.192 9.192 8.552 0.640 25910 877 1 3 . 1 1 46 46 TYR N N 46 122.420 122.420 121.281 1.139 25910 878 1 3 . 1 1 46 46 TYR HA H 46 4.375 4.375 5.160 -0.785 25910 879 1 3 . 1 1 46 46 TYR C C 46 173.077 173.077 173.986 -0.909 25910 880 1 3 . 1 1 46 46 TYR CA C 46 56.663 56.663 54.825 1.838 25910 881 1 3 . 1 1 46 46 TYR CB C 46 38.701 38.701 40.275 -1.574 25910 882 1 3 . 1 1 46 46 TYR H H 46 8.512 8.512 7.884 0.628 25910 883 1 3 . 1 1 47 47 ASP N N 47 130.329 130.329 122.881 7.448 25910 884 1 3 . 1 1 47 47 ASP HA H 47 4.520 4.520 4.870 -0.350 25910 885 1 3 . 1 1 47 47 ASP C C 47 174.266 174.266 175.704 -1.438 25910 886 1 3 . 1 1 47 47 ASP CA C 47 51.864 51.864 53.943 -2.079 25910 887 1 3 . 1 1 47 47 ASP CB C 47 42.670 42.670 44.552 -1.882 25910 888 1 3 . 1 1 47 47 ASP H H 47 7.613 7.613 8.392 -0.779 25910 889 1 3 . 1 1 48 48 ASP N N 48 126.699 126.699 124.425 2.274 25910 890 1 3 . 1 1 48 48 ASP HA H 48 4.019 4.019 4.482 -0.463 25910 891 1 3 . 1 1 48 48 ASP C C 48 177.981 177.981 176.675 1.306 25910 892 1 3 . 1 1 48 48 ASP CA C 48 56.198 56.198 56.026 0.172 25910 893 1 3 . 1 1 48 48 ASP CB C 48 41.614 41.614 40.670 0.944 25910 894 1 3 . 1 1 48 48 ASP H H 48 8.422 8.422 8.727 -0.305 25910 895 1 3 . 1 1 49 49 ALA N N 49 121.819 121.819 122.548 -0.729 25910 896 1 3 . 1 1 49 49 ALA HA H 49 4.021 4.021 4.193 -0.172 25910 897 1 3 . 1 1 49 49 ALA C C 49 179.522 179.522 178.698 0.824 25910 898 1 3 . 1 1 49 49 ALA CA C 49 54.829 54.829 54.364 0.465 25910 899 1 3 . 1 1 49 49 ALA CB C 49 18.168 18.168 18.770 -0.602 25910 900 1 3 . 1 1 49 49 ALA H H 49 8.202 8.202 8.393 -0.191 25910 901 1 3 . 1 1 50 50 THR N N 50 105.089 105.089 106.875 -1.786 25910 902 1 3 . 1 1 50 50 THR HA H 50 4.318 4.318 4.337 -0.019 25910 903 1 3 . 1 1 50 50 THR C C 50 174.943 174.943 174.661 0.282 25910 904 1 3 . 1 1 50 50 THR CA C 50 60.343 60.343 61.968 -1.625 25910 905 1 3 . 1 1 50 50 THR CB C 50 69.532 69.532 69.371 0.161 25910 906 1 3 . 1 1 50 50 THR H H 50 6.890 6.890 7.958 -1.068 25910 907 1 3 . 1 1 51 51 LYS N N 51 125.512 125.512 116.849 8.663 25910 908 1 3 . 1 1 51 51 LYS HA H 51 4.079 4.079 3.918 0.161 25910 909 1 3 . 1 1 51 51 LYS C C 51 174.733 174.733 175.126 -0.393 25910 910 1 3 . 1 1 51 51 LYS CA C 51 57.119 57.119 57.537 -0.418 25910 911 1 3 . 1 1 51 51 LYS CB C 51 33.975 33.975 29.792 4.183 25910 912 1 3 . 1 1 51 51 LYS H H 51 7.764 7.764 8.098 -0.334 25910 913 1 3 . 1 1 52 52 THR N N 52 112.742 112.742 110.210 2.532 25910 914 1 3 . 1 1 52 52 THR HA H 52 5.437 5.437 5.292 0.145 25910 915 1 3 . 1 1 52 52 THR C C 52 174.733 174.733 173.782 0.951 25910 916 1 3 . 1 1 52 52 THR CA C 52 62.078 62.078 60.890 1.188 25910 917 1 3 . 1 1 52 52 THR CB C 52 63.076 63.076 70.615 -7.539 25910 918 1 3 . 1 1 52 52 THR H H 52 7.261 7.261 7.560 -0.299 25910 919 1 3 . 1 1 53 53 PHE N N 53 132.937 132.937 123.247 9.690 25910 920 1 3 . 1 1 53 53 PHE HA H 53 5.641 5.641 5.303 0.338 25910 921 1 3 . 1 1 53 53 PHE C C 53 174.377 174.377 173.842 0.535 25910 922 1 3 . 1 1 53 53 PHE CA C 53 56.995 56.995 56.787 0.208 25910 923 1 3 . 1 1 53 53 PHE CB C 53 42.679 42.679 42.266 0.413 25910 924 1 3 . 1 1 53 53 PHE H H 53 10.363 10.363 9.104 1.259 25910 925 1 3 . 1 1 54 54 THR N N 54 119.069 119.069 122.969 -3.900 25910 926 1 3 . 1 1 54 54 THR HA H 54 5.140 5.140 5.150 -0.010 25910 927 1 3 . 1 1 54 54 THR C C 54 172.417 172.417 173.398 -0.981 25910 928 1 3 . 1 1 54 54 THR CA C 54 61.408 61.408 61.188 0.220 25910 929 1 3 . 1 1 54 54 THR CB C 54 65.839 65.839 70.935 -5.096 25910 930 1 3 . 1 1 54 54 THR H H 54 9.011 9.011 8.960 0.051 25910 931 1 3 . 1 1 55 55 VAL N N 55 125.268 125.268 127.798 -2.530 25910 932 1 3 . 1 1 55 55 VAL HA H 55 4.382 4.382 4.429 -0.047 25910 933 1 3 . 1 1 55 55 VAL CA C 55 57.834 57.834 60.259 -2.425 25910 934 1 3 . 1 1 55 55 VAL CB C 55 32.223 32.223 30.905 1.318 25910 935 1 3 . 1 1 55 55 VAL H H 55 8.122 8.122 8.820 -0.698 25910 936 1 3 . 1 1 56 56 THR N N 56 125.548 125.548 125.079 0.469 25910 937 1 3 . 1 1 56 56 THR C C 56 173.901 173.901 173.485 0.416 25910 938 1 3 . 1 1 56 56 THR CA C 56 61.272 61.272 61.697 -0.425 25910 939 1 3 . 1 1 56 56 THR H H 56 8.306 8.306 8.057 0.249 25910 940 1 4 . 1 1 2 2 GLY N N 2 113.750 113.750 107.448 6.302 25910 941 1 4 . 1 1 2 2 GLY C C 2 176.605 176.605 172.523 4.082 25910 942 1 4 . 1 1 2 2 GLY CA C 2 44.589 44.589 44.159 0.430 25910 943 1 4 . 1 1 2 2 GLY H H 2 8.454 8.454 8.317 0.137 25910 944 1 4 . 1 1 3 3 THR N N 3 118.182 118.182 117.480 0.702 25910 945 1 4 . 1 1 3 3 THR HA H 3 4.594 4.594 4.645 -0.051 25910 946 1 4 . 1 1 3 3 THR C C 3 173.943 173.943 173.553 0.390 25910 947 1 4 . 1 1 3 3 THR CA C 3 62.633 62.633 61.638 0.995 25910 948 1 4 . 1 1 3 3 THR CB C 3 72.413 72.413 69.840 2.573 25910 949 1 4 . 1 1 3 3 THR H H 3 8.076 8.076 8.097 -0.021 25910 950 1 4 . 1 1 4 4 TYR N N 4 128.256 128.256 127.207 1.049 25910 951 1 4 . 1 1 4 4 TYR HA H 4 5.271 5.271 4.642 0.629 25910 952 1 4 . 1 1 4 4 TYR C C 4 174.213 174.213 174.940 -0.727 25910 953 1 4 . 1 1 4 4 TYR CA C 4 56.625 56.625 57.754 -1.129 25910 954 1 4 . 1 1 4 4 TYR CB C 4 42.657 42.657 38.922 3.735 25910 955 1 4 . 1 1 4 4 TYR H H 4 9.273 9.273 8.487 0.786 25910 956 1 4 . 1 1 5 5 LYS N N 5 124.678 124.678 126.165 -1.487 25910 957 1 4 . 1 1 5 5 LYS HA H 5 5.169 5.169 4.391 0.778 25910 958 1 4 . 1 1 5 5 LYS C C 5 172.616 172.616 174.910 -2.294 25910 959 1 4 . 1 1 5 5 LYS CA C 5 54.875 54.875 56.242 -1.367 25910 960 1 4 . 1 1 5 5 LYS CB C 5 28.908 28.908 33.317 -4.409 25910 961 1 4 . 1 1 5 5 LYS H H 5 9.075 9.075 8.396 0.679 25910 962 1 4 . 1 1 6 6 LEU N N 6 128.375 128.375 128.356 0.019 25910 963 1 4 . 1 1 6 6 LEU HA H 6 4.839 4.839 4.808 0.032 25910 964 1 4 . 1 1 6 6 LEU C C 6 174.425 174.425 175.239 -0.814 25910 965 1 4 . 1 1 6 6 LEU CA C 6 52.459 52.459 53.702 -1.242 25910 966 1 4 . 1 1 6 6 LEU H H 6 8.541 8.541 8.204 0.337 25910 967 1 4 . 1 1 7 7 ILE N N 7 128.123 128.123 127.737 0.386 25910 968 1 4 . 1 1 7 7 ILE HA H 7 4.221 4.221 4.582 -0.361 25910 969 1 4 . 1 1 7 7 ILE C C 7 174.566 174.566 174.004 0.562 25910 970 1 4 . 1 1 7 7 ILE CA C 7 60.226 60.226 60.243 -0.017 25910 971 1 4 . 1 1 7 7 ILE CB C 7 37.977 37.977 41.156 -3.179 25910 972 1 4 . 1 1 7 7 ILE H H 7 9.020 9.020 8.908 0.112 25910 973 1 4 . 1 1 8 8 LEU N N 8 127.628 127.628 128.331 -0.703 25910 974 1 4 . 1 1 8 8 LEU HA H 8 4.383 4.383 4.482 -0.099 25910 975 1 4 . 1 1 8 8 LEU C C 8 174.640 174.640 174.569 0.071 25910 976 1 4 . 1 1 8 8 LEU CA C 8 54.428 54.428 54.060 0.368 25910 977 1 4 . 1 1 8 8 LEU CB C 8 42.014 42.014 44.585 -2.571 25910 978 1 4 . 1 1 8 8 LEU H H 8 8.640 8.640 8.946 -0.306 25910 979 1 4 . 1 1 9 9 ASN N N 9 128.380 128.380 124.692 3.688 25910 980 1 4 . 1 1 9 9 ASN HA H 9 5.214 5.214 4.935 0.279 25910 981 1 4 . 1 1 9 9 ASN C C 9 175.683 175.683 174.304 1.379 25910 982 1 4 . 1 1 9 9 ASN CA C 9 50.778 50.778 52.156 -1.378 25910 983 1 4 . 1 1 9 9 ASN CB C 9 37.691 37.691 40.624 -2.933 25910 984 1 4 . 1 1 9 9 ASN H H 9 8.830 8.830 8.891 -0.061 25910 985 1 4 . 1 1 10 10 GLY N N 10 111.563 111.563 110.197 1.366 25910 986 1 4 . 1 1 10 10 GLY C C 10 173.311 173.311 174.237 -0.926 25910 987 1 4 . 1 1 10 10 GLY CA C 10 44.735 44.735 43.995 0.740 25910 988 1 4 . 1 1 10 10 GLY H H 10 7.831 7.831 8.508 -0.677 25910 989 1 4 . 1 1 11 11 LYS N N 11 122.942 122.942 119.018 3.924 25910 990 1 4 . 1 1 11 11 LYS HA H 11 3.990 3.990 4.231 -0.241 25910 991 1 4 . 1 1 11 11 LYS C C 11 178.822 178.822 177.001 1.821 25910 992 1 4 . 1 1 11 11 LYS CA C 11 58.885 58.885 58.245 0.640 25910 993 1 4 . 1 1 11 11 LYS CB C 11 32.330 32.330 32.597 -0.267 25910 994 1 4 . 1 1 11 11 LYS H H 11 9.419 9.419 8.665 0.754 25910 995 1 4 . 1 1 12 12 THR N N 12 110.192 110.192 111.566 -1.374 25910 996 1 4 . 1 1 12 12 THR HA H 12 4.312 4.312 4.332 -0.020 25910 997 1 4 . 1 1 12 12 THR C C 12 173.575 173.575 173.607 -0.032 25910 998 1 4 . 1 1 12 12 THR CA C 12 61.517 61.517 62.519 -1.002 25910 999 1 4 . 1 1 12 12 THR CB C 12 69.598 69.598 69.850 -0.252 25910 1000 1 4 . 1 1 12 12 THR H H 12 8.743 8.743 8.219 0.524 25910 1001 1 4 . 1 1 13 13 LEU N N 13 127.300 127.300 119.240 8.060 25910 1002 1 4 . 1 1 13 13 LEU HA H 13 4.401 4.401 4.912 -0.511 25910 1003 1 4 . 1 1 13 13 LEU C C 13 173.148 173.148 174.307 -1.159 25910 1004 1 4 . 1 1 13 13 LEU CA C 13 54.953 54.953 53.115 1.838 25910 1005 1 4 . 1 1 13 13 LEU CB C 13 43.166 43.166 44.620 -1.454 25910 1006 1 4 . 1 1 13 13 LEU H H 13 7.273 7.273 7.544 -0.271 25910 1007 1 4 . 1 1 14 14 LYS N N 14 125.544 125.544 119.031 6.513 25910 1008 1 4 . 1 1 14 14 LYS HA H 14 5.097 5.097 5.083 0.014 25910 1009 1 4 . 1 1 14 14 LYS C C 14 176.255 176.255 175.258 0.997 25910 1010 1 4 . 1 1 14 14 LYS CA C 14 53.661 53.661 54.844 -1.183 25910 1011 1 4 . 1 1 14 14 LYS CB C 14 34.743 34.743 36.537 -1.794 25910 1012 1 4 . 1 1 14 14 LYS H H 14 8.062 8.062 8.314 -0.252 25910 1013 1 4 . 1 1 15 15 GLY N N 15 111.144 111.144 107.680 3.464 25910 1014 1 4 . 1 1 15 15 GLY C C 15 171.151 171.151 171.902 -0.751 25910 1015 1 4 . 1 1 15 15 GLY CA C 15 45.006 45.006 45.627 -0.621 25910 1016 1 4 . 1 1 15 15 GLY H H 15 8.349 8.349 8.417 -0.068 25910 1017 1 4 . 1 1 16 16 GLU N N 16 120.581 120.581 121.611 -1.030 25910 1018 1 4 . 1 1 16 16 GLU HA H 16 5.546 5.546 5.256 0.290 25910 1019 1 4 . 1 1 16 16 GLU C C 16 175.034 175.034 175.024 0.010 25910 1020 1 4 . 1 1 16 16 GLU CA C 16 54.528 54.528 55.305 -0.777 25910 1021 1 4 . 1 1 16 16 GLU CB C 16 33.817 33.817 32.412 1.405 25910 1022 1 4 . 1 1 16 16 GLU H H 16 8.346 8.346 8.509 -0.163 25910 1023 1 4 . 1 1 17 17 THR N N 17 117.658 117.658 118.276 -0.618 25910 1024 1 4 . 1 1 17 17 THR HA H 17 4.622 4.622 4.666 -0.044 25910 1025 1 4 . 1 1 17 17 THR C C 17 171.834 171.834 172.502 -0.668 25910 1026 1 4 . 1 1 17 17 THR CA C 17 60.610 60.610 60.305 0.305 25910 1027 1 4 . 1 1 17 17 THR CB C 17 69.030 69.030 70.751 -1.721 25910 1028 1 4 . 1 1 17 17 THR H H 17 8.636 8.636 8.666 -0.030 25910 1029 1 4 . 1 1 18 18 THR N N 18 113.707 113.707 114.998 -1.291 25910 1030 1 4 . 1 1 18 18 THR HA H 18 5.794 5.794 4.848 0.946 25910 1031 1 4 . 1 1 18 18 THR C C 18 173.871 173.871 173.157 0.714 25910 1032 1 4 . 1 1 18 18 THR CA C 18 59.750 59.750 62.054 -2.304 25910 1033 1 4 . 1 1 18 18 THR CB C 18 73.077 73.077 70.315 2.762 25910 1034 1 4 . 1 1 18 18 THR H H 18 7.970 7.970 8.470 -0.500 25910 1035 1 4 . 1 1 19 19 THR N N 19 116.670 116.670 122.516 -5.846 25910 1036 1 4 . 1 1 19 19 THR HA H 19 4.606 4.606 4.737 -0.132 25910 1037 1 4 . 1 1 19 19 THR C C 19 171.009 171.009 172.840 -1.831 25910 1038 1 4 . 1 1 19 19 THR CA C 19 62.179 62.179 61.819 0.360 25910 1039 1 4 . 1 1 19 19 THR CB C 19 70.463 70.463 71.528 -1.065 25910 1040 1 4 . 1 1 19 19 THR H H 19 9.018 9.018 8.472 0.546 25910 1041 1 4 . 1 1 20 20 GLU N N 20 126.491 126.491 123.564 2.927 25910 1042 1 4 . 1 1 20 20 GLU HA H 20 5.528 5.528 4.754 0.774 25910 1043 1 4 . 1 1 20 20 GLU C C 20 176.205 176.205 175.500 0.705 25910 1044 1 4 . 1 1 20 20 GLU CA C 20 54.574 54.574 55.551 -0.977 25910 1045 1 4 . 1 1 20 20 GLU CB C 20 30.757 30.757 30.954 -0.197 25910 1046 1 4 . 1 1 20 20 GLU H H 20 7.922 7.922 8.546 -0.624 25910 1047 1 4 . 1 1 21 21 ALA N N 21 126.835 126.835 125.216 1.619 25910 1048 1 4 . 1 1 21 21 ALA HA H 21 4.740 4.740 4.846 -0.106 25910 1049 1 4 . 1 1 21 21 ALA C C 21 177.223 177.223 175.801 1.422 25910 1050 1 4 . 1 1 21 21 ALA CA C 21 50.945 50.945 51.223 -0.278 25910 1051 1 4 . 1 1 21 21 ALA CB C 21 23.578 23.578 22.654 0.924 25910 1052 1 4 . 1 1 21 21 ALA H H 21 9.183 9.183 9.028 0.155 25910 1053 1 4 . 1 1 22 22 VAL N N 22 117.316 117.316 119.500 -2.184 25910 1054 1 4 . 1 1 22 22 VAL HA H 22 4.137 4.137 3.958 0.179 25910 1055 1 4 . 1 1 22 22 VAL C C 22 174.432 174.432 175.151 -0.719 25910 1056 1 4 . 1 1 22 22 VAL CA C 22 63.321 63.321 64.260 -0.938 25910 1057 1 4 . 1 1 22 22 VAL CB C 22 32.120 32.120 32.210 -0.090 25910 1058 1 4 . 1 1 22 22 VAL H H 22 8.519 8.519 8.803 -0.284 25910 1059 1 4 . 1 1 23 23 ASP N N 23 116.395 116.395 115.252 1.143 25910 1060 1 4 . 1 1 23 23 ASP HA H 23 4.580 4.580 4.966 -0.386 25910 1061 1 4 . 1 1 23 23 ASP C C 23 174.391 174.391 175.972 -1.581 25910 1062 1 4 . 1 1 23 23 ASP CA C 23 52.345 52.345 53.113 -0.768 25910 1063 1 4 . 1 1 23 23 ASP CB C 23 42.149 42.149 43.704 -1.555 25910 1064 1 4 . 1 1 23 23 ASP H H 23 7.191 7.191 7.521 -0.330 25910 1065 1 4 . 1 1 24 24 ALA N N 24 123.019 123.019 123.123 -0.104 25910 1066 1 4 . 1 1 24 24 ALA HA H 24 3.349 3.349 3.142 0.207 25910 1067 1 4 . 1 1 24 24 ALA C C 24 179.001 179.001 178.405 0.596 25910 1068 1 4 . 1 1 24 24 ALA CA C 24 54.346 54.346 55.182 -0.836 25910 1069 1 4 . 1 1 24 24 ALA CB C 24 17.327 17.327 18.239 -0.912 25910 1070 1 4 . 1 1 24 24 ALA H H 24 8.315 8.315 8.406 -0.091 25910 1071 1 4 . 1 1 25 25 ALA N N 25 122.203 122.203 120.402 1.801 25910 1072 1 4 . 1 1 25 25 ALA HA H 25 3.891 3.891 4.227 -0.336 25910 1073 1 4 . 1 1 25 25 ALA C C 25 180.736 180.736 179.569 1.167 25910 1074 1 4 . 1 1 25 25 ALA CA C 25 54.646 54.646 54.658 -0.012 25910 1075 1 4 . 1 1 25 25 ALA CB C 25 17.623 17.623 17.910 -0.287 25910 1076 1 4 . 1 1 25 25 ALA H H 25 7.982 7.982 8.328 -0.346 25910 1077 1 4 . 1 1 26 26 THR N N 26 118.231 118.231 115.677 2.554 25910 1078 1 4 . 1 1 26 26 THR HA H 26 3.973 3.973 3.924 0.049 25910 1079 1 4 . 1 1 26 26 THR C C 26 175.969 175.969 176.313 -0.344 25910 1080 1 4 . 1 1 26 26 THR CA C 26 66.690 66.690 66.370 0.320 25910 1081 1 4 . 1 1 26 26 THR CB C 26 66.977 66.977 68.737 -1.760 25910 1082 1 4 . 1 1 26 26 THR H H 26 8.258 8.258 7.410 0.848 25910 1083 1 4 . 1 1 27 27 ALA N N 27 125.522 125.522 124.153 1.369 25910 1084 1 4 . 1 1 27 27 ALA HA H 27 3.008 3.008 3.978 -0.970 25910 1085 1 4 . 1 1 27 27 ALA C C 27 176.928 176.928 178.809 -1.881 25910 1086 1 4 . 1 1 27 27 ALA CA C 27 54.544 54.544 55.291 -0.747 25910 1087 1 4 . 1 1 27 27 ALA CB C 27 17.299 17.299 18.136 -0.837 25910 1088 1 4 . 1 1 27 27 ALA H H 27 6.992 6.992 7.527 -0.535 25910 1089 1 4 . 1 1 28 28 GLU N N 28 118.584 118.584 118.719 -0.135 25910 1090 1 4 . 1 1 28 28 GLU HA H 28 2.575 2.575 3.730 -1.155 25910 1091 1 4 . 1 1 28 28 GLU C C 28 177.127 177.127 178.389 -1.262 25910 1092 1 4 . 1 1 28 28 GLU CA C 28 59.522 59.522 59.587 -0.065 25910 1093 1 4 . 1 1 28 28 GLU CB C 28 32.612 32.612 29.491 3.121 25910 1094 1 4 . 1 1 28 28 GLU H H 28 8.284 8.284 8.569 -0.285 25910 1095 1 4 . 1 1 29 29 LYS N N 29 118.504 118.504 119.045 -0.541 25910 1096 1 4 . 1 1 29 29 LYS HA H 29 3.654 3.654 3.857 -0.203 25910 1097 1 4 . 1 1 29 29 LYS C C 29 179.844 179.844 179.290 0.554 25910 1098 1 4 . 1 1 29 29 LYS CA C 29 59.589 59.589 59.184 0.404 25910 1099 1 4 . 1 1 29 29 LYS CB C 29 32.200 32.200 32.323 -0.123 25910 1100 1 4 . 1 1 29 29 LYS H H 29 6.861 6.861 7.443 -0.582 25910 1101 1 4 . 1 1 30 30 VAL N N 30 122.501 122.501 119.168 3.333 25910 1102 1 4 . 1 1 30 30 VAL HA H 30 3.550 3.550 3.680 -0.130 25910 1103 1 4 . 1 1 30 30 VAL C C 30 179.643 179.643 178.810 0.833 25910 1104 1 4 . 1 1 30 30 VAL CA C 30 65.870 65.870 66.148 -0.278 25910 1105 1 4 . 1 1 30 30 VAL CB C 30 31.729 31.729 31.444 0.285 25910 1106 1 4 . 1 1 30 30 VAL H H 30 7.203 7.203 7.471 -0.268 25910 1107 1 4 . 1 1 31 31 PHE N N 31 122.601 122.601 118.251 4.350 25910 1108 1 4 . 1 1 31 31 PHE C C 31 178.161 178.161 177.358 0.803 25910 1109 1 4 . 1 1 31 31 PHE CA C 31 55.903 55.903 60.071 -4.168 25910 1110 1 4 . 1 1 31 31 PHE H H 31 8.398 8.398 8.683 -0.285 25910 1111 1 4 . 1 1 32 32 LYS N N 32 124.739 124.739 121.323 3.416 25910 1112 1 4 . 1 1 32 32 LYS HA H 32 4.085 4.085 4.016 0.069 25910 1113 1 4 . 1 1 32 32 LYS C C 32 179.432 179.432 178.445 0.987 25910 1114 1 4 . 1 1 32 32 LYS CA C 32 59.714 59.714 60.426 -0.712 25910 1115 1 4 . 1 1 32 32 LYS CB C 32 31.660 31.660 31.929 -0.269 25910 1116 1 4 . 1 1 32 32 LYS H H 32 9.078 9.078 7.986 1.092 25910 1117 1 4 . 1 1 33 33 GLN N N 33 121.561 121.561 118.084 3.477 25910 1118 1 4 . 1 1 33 33 GLN HA H 33 3.986 3.986 4.009 -0.023 25910 1119 1 4 . 1 1 33 33 GLN C C 33 176.867 176.867 178.419 -1.552 25910 1120 1 4 . 1 1 33 33 GLN CA C 33 58.531 58.531 59.230 -0.699 25910 1121 1 4 . 1 1 33 33 GLN CB C 33 27.914 27.914 28.451 -0.537 25910 1122 1 4 . 1 1 33 33 GLN H H 33 7.325 7.325 7.750 -0.425 25910 1123 1 4 . 1 1 34 34 TYR N N 34 122.729 122.729 120.223 2.506 25910 1124 1 4 . 1 1 34 34 TYR HA H 34 4.206 4.206 4.239 -0.033 25910 1125 1 4 . 1 1 34 34 TYR C C 34 178.875 178.875 176.862 2.013 25910 1126 1 4 . 1 1 34 34 TYR CA C 34 61.673 61.673 60.524 1.149 25910 1127 1 4 . 1 1 34 34 TYR CB C 34 38.779 38.779 38.080 0.699 25910 1128 1 4 . 1 1 34 34 TYR H H 34 8.165 8.165 7.816 0.349 25910 1129 1 4 . 1 1 35 35 ALA N N 35 124.565 124.565 121.950 2.615 25910 1130 1 4 . 1 1 35 35 ALA HA H 35 3.754 3.754 3.399 0.355 25910 1131 1 4 . 1 1 35 35 ALA C C 35 174.251 174.251 179.439 -5.188 25910 1132 1 4 . 1 1 35 35 ALA CA C 35 56.260 56.260 55.108 1.152 25910 1133 1 4 . 1 1 35 35 ALA CB C 35 17.622 17.622 17.990 -0.368 25910 1134 1 4 . 1 1 35 35 ALA H H 35 9.126 9.126 8.729 0.397 25910 1135 1 4 . 1 1 36 36 ASN N N 36 119.406 119.406 117.615 1.791 25910 1136 1 4 . 1 1 36 36 ASN HA H 36 4.370 4.370 4.451 -0.081 25910 1137 1 4 . 1 1 36 36 ASN C C 36 179.225 179.225 178.118 1.107 25910 1138 1 4 . 1 1 36 36 ASN CA C 36 56.845 56.845 56.359 0.485 25910 1139 1 4 . 1 1 36 36 ASN CB C 36 38.724 38.724 38.659 0.065 25910 1140 1 4 . 1 1 36 36 ASN H H 36 8.156 8.156 8.393 -0.237 25910 1141 1 4 . 1 1 37 37 ASP N N 37 123.289 123.289 120.744 2.545 25910 1142 1 4 . 1 1 37 37 ASP HA H 37 4.291 4.291 4.443 -0.152 25910 1143 1 4 . 1 1 37 37 ASP C C 37 176.917 176.917 178.038 -1.121 25910 1144 1 4 . 1 1 37 37 ASP CA C 37 56.791 56.791 56.708 0.083 25910 1145 1 4 . 1 1 37 37 ASP CB C 37 41.927 41.927 41.081 0.846 25910 1146 1 4 . 1 1 37 37 ASP H H 37 8.854 8.854 8.221 0.633 25910 1147 1 4 . 1 1 38 38 ASN N N 38 117.154 117.154 116.322 0.832 25910 1148 1 4 . 1 1 38 38 ASN HA H 38 4.528 4.528 4.692 -0.164 25910 1149 1 4 . 1 1 38 38 ASN C C 38 173.809 173.809 175.533 -1.724 25910 1150 1 4 . 1 1 38 38 ASN CA C 38 53.604 53.604 52.336 1.268 25910 1151 1 4 . 1 1 38 38 ASN H H 38 7.302 7.302 7.979 -0.677 25910 1152 1 4 . 1 1 39 39 GLY N N 39 109.931 109.931 107.695 2.236 25910 1153 1 4 . 1 1 39 39 GLY C C 39 177.482 177.482 173.711 3.771 25910 1154 1 4 . 1 1 39 39 GLY CA C 39 46.647 46.647 45.324 1.323 25910 1155 1 4 . 1 1 39 39 GLY H H 39 7.716 7.716 7.705 0.011 25910 1156 1 4 . 1 1 40 40 VAL N N 40 122.793 122.793 118.848 3.945 25910 1157 1 4 . 1 1 40 40 VAL HA H 40 4.099 4.099 4.899 -0.800 25910 1158 1 4 . 1 1 40 40 VAL C C 40 173.752 173.752 173.898 -0.146 25910 1159 1 4 . 1 1 40 40 VAL CA C 40 61.738 61.738 60.542 1.196 25910 1160 1 4 . 1 1 40 40 VAL CB C 40 32.918 32.918 35.027 -2.109 25910 1161 1 4 . 1 1 40 40 VAL H H 40 8.027 8.027 7.794 0.233 25910 1162 1 4 . 1 1 41 41 ASP N N 41 129.935 129.935 125.102 4.833 25910 1163 1 4 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.816 0.009 25910 1164 1 4 . 1 1 41 41 ASP C C 41 174.270 174.270 174.874 -0.604 25910 1165 1 4 . 1 1 41 41 ASP CA C 41 52.473 52.473 54.076 -1.603 25910 1166 1 4 . 1 1 41 41 ASP CB C 41 42.513 42.513 43.296 -0.783 25910 1167 1 4 . 1 1 41 41 ASP H H 41 8.588 8.588 8.482 0.106 25910 1168 1 4 . 1 1 42 42 GLY N N 42 109.126 109.126 109.542 -0.416 25910 1169 1 4 . 1 1 42 42 GLY C C 42 171.778 171.778 173.282 -1.504 25910 1170 1 4 . 1 1 42 42 GLY CA C 42 45.243 45.243 44.115 1.128 25910 1171 1 4 . 1 1 42 42 GLY H H 42 7.672 7.672 7.765 -0.093 25910 1172 1 4 . 1 1 43 43 GLU N N 43 122.448 122.448 121.046 1.402 25910 1173 1 4 . 1 1 43 43 GLU HA H 43 4.628 4.628 4.367 0.261 25910 1174 1 4 . 1 1 43 43 GLU C C 43 176.874 176.874 176.736 0.138 25910 1175 1 4 . 1 1 43 43 GLU CA C 43 55.350 55.350 55.086 0.264 25910 1176 1 4 . 1 1 43 43 GLU CB C 43 31.207 31.207 29.949 1.258 25910 1177 1 4 . 1 1 43 43 GLU H H 43 8.089 8.089 8.104 -0.015 25910 1178 1 4 . 1 1 44 44 TRP N N 44 130.232 130.232 128.275 1.957 25910 1179 1 4 . 1 1 44 44 TRP HA H 44 5.313 5.313 4.870 0.443 25910 1180 1 4 . 1 1 44 44 TRP C C 44 176.867 176.867 176.973 -0.106 25910 1181 1 4 . 1 1 44 44 TRP CA C 44 57.688 57.688 57.734 -0.046 25910 1182 1 4 . 1 1 44 44 TRP CB C 44 30.268 30.268 28.575 1.693 25910 1183 1 4 . 1 1 44 44 TRP H H 44 9.284 9.284 8.664 0.620 25910 1184 1 4 . 1 1 45 45 THR N N 45 116.544 116.544 122.335 -5.791 25910 1185 1 4 . 1 1 45 45 THR HA H 45 4.626 4.626 4.800 -0.174 25910 1186 1 4 . 1 1 45 45 THR C C 45 172.518 172.518 172.940 -0.422 25910 1187 1 4 . 1 1 45 45 THR CA C 45 60.392 60.392 61.409 -1.017 25910 1188 1 4 . 1 1 45 45 THR CB C 45 72.517 72.517 70.475 2.042 25910 1189 1 4 . 1 1 45 45 THR H H 45 9.192 9.192 9.080 0.112 25910 1190 1 4 . 1 1 46 46 TYR N N 46 122.420 122.420 125.228 -2.808 25910 1191 1 4 . 1 1 46 46 TYR HA H 46 4.375 4.375 4.442 -0.067 25910 1192 1 4 . 1 1 46 46 TYR C C 46 173.077 173.077 174.352 -1.275 25910 1193 1 4 . 1 1 46 46 TYR CA C 46 56.663 56.663 55.295 1.367 25910 1194 1 4 . 1 1 46 46 TYR CB C 46 38.701 38.701 38.782 -0.081 25910 1195 1 4 . 1 1 46 46 TYR H H 46 8.512 8.512 8.412 0.100 25910 1196 1 4 . 1 1 47 47 ASP N N 47 130.329 130.329 123.521 6.808 25910 1197 1 4 . 1 1 47 47 ASP HA H 47 4.520 4.520 4.868 -0.348 25910 1198 1 4 . 1 1 47 47 ASP C C 47 174.266 174.266 176.293 -2.027 25910 1199 1 4 . 1 1 47 47 ASP CA C 47 51.864 51.864 53.256 -1.392 25910 1200 1 4 . 1 1 47 47 ASP CB C 47 42.670 42.670 42.028 0.642 25910 1201 1 4 . 1 1 47 47 ASP H H 47 7.613 7.613 8.896 -1.283 25910 1202 1 4 . 1 1 48 48 ASP N N 48 126.699 126.699 125.085 1.614 25910 1203 1 4 . 1 1 48 48 ASP HA H 48 4.019 4.019 4.369 -0.350 25910 1204 1 4 . 1 1 48 48 ASP C C 48 177.981 177.981 177.087 0.894 25910 1205 1 4 . 1 1 48 48 ASP CA C 48 56.198 56.198 57.054 -0.856 25910 1206 1 4 . 1 1 48 48 ASP CB C 48 41.614 41.614 40.995 0.619 25910 1207 1 4 . 1 1 48 48 ASP H H 48 8.422 8.422 8.992 -0.570 25910 1208 1 4 . 1 1 49 49 ALA N N 49 121.819 121.819 122.268 -0.449 25910 1209 1 4 . 1 1 49 49 ALA HA H 49 4.021 4.021 4.174 -0.153 25910 1210 1 4 . 1 1 49 49 ALA C C 49 179.522 179.522 179.067 0.455 25910 1211 1 4 . 1 1 49 49 ALA CA C 49 54.829 54.829 54.755 0.074 25910 1212 1 4 . 1 1 49 49 ALA CB C 49 18.168 18.168 18.596 -0.428 25910 1213 1 4 . 1 1 49 49 ALA H H 49 8.202 8.202 7.993 0.209 25910 1214 1 4 . 1 1 50 50 THR N N 50 105.089 105.089 111.987 -6.898 25910 1215 1 4 . 1 1 50 50 THR HA H 50 4.318 4.318 4.259 0.059 25910 1216 1 4 . 1 1 50 50 THR C C 50 174.943 174.943 174.778 0.165 25910 1217 1 4 . 1 1 50 50 THR CA C 50 60.343 60.343 62.548 -2.205 25910 1218 1 4 . 1 1 50 50 THR CB C 50 69.532 69.532 69.002 0.530 25910 1219 1 4 . 1 1 50 50 THR H H 50 6.890 6.890 8.366 -1.476 25910 1220 1 4 . 1 1 51 51 LYS N N 51 125.512 125.512 117.365 8.147 25910 1221 1 4 . 1 1 51 51 LYS HA H 51 4.079 4.079 3.842 0.237 25910 1222 1 4 . 1 1 51 51 LYS C C 51 174.733 174.733 175.146 -0.413 25910 1223 1 4 . 1 1 51 51 LYS CA C 51 57.119 57.119 57.450 -0.331 25910 1224 1 4 . 1 1 51 51 LYS CB C 51 33.975 33.975 29.607 4.368 25910 1225 1 4 . 1 1 51 51 LYS H H 51 7.764 7.764 7.884 -0.120 25910 1226 1 4 . 1 1 52 52 THR N N 52 112.742 112.742 108.865 3.877 25910 1227 1 4 . 1 1 52 52 THR HA H 52 5.437 5.437 5.504 -0.067 25910 1228 1 4 . 1 1 52 52 THR C C 52 174.733 174.733 172.919 1.814 25910 1229 1 4 . 1 1 52 52 THR CA C 52 62.078 62.078 59.956 2.122 25910 1230 1 4 . 1 1 52 52 THR CB C 52 63.076 63.076 72.736 -9.660 25910 1231 1 4 . 1 1 52 52 THR H H 52 7.261 7.261 8.339 -1.078 25910 1232 1 4 . 1 1 53 53 PHE N N 53 132.937 132.937 123.145 9.792 25910 1233 1 4 . 1 1 53 53 PHE HA H 53 5.641 5.641 5.271 0.370 25910 1234 1 4 . 1 1 53 53 PHE C C 53 174.377 174.377 173.558 0.819 25910 1235 1 4 . 1 1 53 53 PHE CA C 53 56.995 56.995 56.302 0.693 25910 1236 1 4 . 1 1 53 53 PHE CB C 53 42.679 42.679 41.926 0.753 25910 1237 1 4 . 1 1 53 53 PHE H H 53 10.363 10.363 9.163 1.200 25910 1238 1 4 . 1 1 54 54 THR N N 54 119.069 119.069 123.623 -4.554 25910 1239 1 4 . 1 1 54 54 THR HA H 54 5.140 5.140 5.190 -0.050 25910 1240 1 4 . 1 1 54 54 THR C C 54 172.417 172.417 173.370 -0.953 25910 1241 1 4 . 1 1 54 54 THR CA C 54 61.408 61.408 61.167 0.241 25910 1242 1 4 . 1 1 54 54 THR CB C 54 65.839 65.839 70.856 -5.017 25910 1243 1 4 . 1 1 54 54 THR H H 54 9.011 9.011 8.895 0.116 25910 1244 1 4 . 1 1 55 55 VAL N N 55 125.268 125.268 127.779 -2.511 25910 1245 1 4 . 1 1 55 55 VAL HA H 55 4.382 4.382 4.099 0.283 25910 1246 1 4 . 1 1 55 55 VAL CA C 55 57.834 57.834 60.360 -2.526 25910 1247 1 4 . 1 1 55 55 VAL CB C 55 32.223 32.223 30.227 1.996 25910 1248 1 4 . 1 1 55 55 VAL H H 55 8.122 8.122 8.372 -0.250 25910 1249 1 4 . 1 1 56 56 THR N N 56 125.548 125.548 124.775 0.773 25910 1250 1 4 . 1 1 56 56 THR C C 56 173.901 173.901 173.564 0.337 25910 1251 1 4 . 1 1 56 56 THR CA C 56 61.272 61.272 62.153 -0.881 25910 1252 1 4 . 1 1 56 56 THR H H 56 8.306 8.306 7.985 0.321 25910 1253 1 5 . 1 1 2 2 GLY N N 2 113.750 113.750 106.798 6.952 25910 1254 1 5 . 1 1 2 2 GLY C C 2 176.605 176.605 172.349 4.256 25910 1255 1 5 . 1 1 2 2 GLY CA C 2 44.589 44.589 44.322 0.267 25910 1256 1 5 . 1 1 2 2 GLY H H 2 8.454 8.454 8.940 -0.486 25910 1257 1 5 . 1 1 3 3 THR N N 3 118.182 118.182 116.494 1.688 25910 1258 1 5 . 1 1 3 3 THR HA H 3 4.594 4.594 4.646 -0.053 25910 1259 1 5 . 1 1 3 3 THR C C 3 173.943 173.943 172.742 1.201 25910 1260 1 5 . 1 1 3 3 THR CA C 3 62.633 62.633 61.890 0.743 25910 1261 1 5 . 1 1 3 3 THR CB C 3 72.413 72.413 70.883 1.530 25910 1262 1 5 . 1 1 3 3 THR H H 3 8.076 8.076 8.245 -0.169 25910 1263 1 5 . 1 1 4 4 TYR N N 4 128.256 128.256 122.971 5.285 25910 1264 1 5 . 1 1 4 4 TYR HA H 4 5.271 5.271 4.836 0.435 25910 1265 1 5 . 1 1 4 4 TYR C C 4 174.213 174.213 174.551 -0.338 25910 1266 1 5 . 1 1 4 4 TYR CA C 4 56.625 56.625 57.696 -1.071 25910 1267 1 5 . 1 1 4 4 TYR CB C 4 42.657 42.657 40.419 2.238 25910 1268 1 5 . 1 1 4 4 TYR H H 4 9.273 9.273 8.527 0.746 25910 1269 1 5 . 1 1 5 5 LYS N N 5 124.678 124.678 124.725 -0.047 25910 1270 1 5 . 1 1 5 5 LYS HA H 5 5.169 5.169 4.440 0.729 25910 1271 1 5 . 1 1 5 5 LYS C C 5 172.616 172.616 174.862 -2.246 25910 1272 1 5 . 1 1 5 5 LYS CA C 5 54.875 54.875 56.034 -1.159 25910 1273 1 5 . 1 1 5 5 LYS CB C 5 28.908 28.908 33.932 -5.024 25910 1274 1 5 . 1 1 5 5 LYS H H 5 9.075 9.075 8.928 0.147 25910 1275 1 5 . 1 1 6 6 LEU N N 6 128.375 128.375 126.997 1.378 25910 1276 1 5 . 1 1 6 6 LEU HA H 6 4.839 4.839 5.041 -0.202 25910 1277 1 5 . 1 1 6 6 LEU C C 6 174.425 174.425 175.574 -1.149 25910 1278 1 5 . 1 1 6 6 LEU CA C 6 52.459 52.459 53.971 -1.512 25910 1279 1 5 . 1 1 6 6 LEU H H 6 8.541 8.541 8.084 0.457 25910 1280 1 5 . 1 1 7 7 ILE N N 7 128.123 128.123 125.663 2.460 25910 1281 1 5 . 1 1 7 7 ILE HA H 7 4.221 4.221 4.671 -0.450 25910 1282 1 5 . 1 1 7 7 ILE C C 7 174.566 174.566 174.259 0.307 25910 1283 1 5 . 1 1 7 7 ILE CA C 7 60.226 60.226 60.192 0.034 25910 1284 1 5 . 1 1 7 7 ILE CB C 7 37.977 37.977 40.136 -2.159 25910 1285 1 5 . 1 1 7 7 ILE H H 7 9.020 9.020 8.802 0.218 25910 1286 1 5 . 1 1 8 8 LEU N N 8 127.628 127.628 128.932 -1.304 25910 1287 1 5 . 1 1 8 8 LEU HA H 8 4.383 4.383 4.362 0.021 25910 1288 1 5 . 1 1 8 8 LEU C C 8 174.640 174.640 175.054 -0.414 25910 1289 1 5 . 1 1 8 8 LEU CA C 8 54.428 54.428 54.862 -0.434 25910 1290 1 5 . 1 1 8 8 LEU CB C 8 42.014 42.014 42.574 -0.560 25910 1291 1 5 . 1 1 8 8 LEU H H 8 8.640 8.640 8.900 -0.260 25910 1292 1 5 . 1 1 9 9 ASN N N 9 128.380 128.380 124.273 4.107 25910 1293 1 5 . 1 1 9 9 ASN HA H 9 5.214 5.214 4.928 0.286 25910 1294 1 5 . 1 1 9 9 ASN C C 9 175.683 175.683 174.250 1.433 25910 1295 1 5 . 1 1 9 9 ASN CA C 9 50.778 50.778 52.235 -1.457 25910 1296 1 5 . 1 1 9 9 ASN CB C 9 37.691 37.691 40.563 -2.872 25910 1297 1 5 . 1 1 9 9 ASN H H 9 8.830 8.830 8.828 0.002 25910 1298 1 5 . 1 1 10 10 GLY N N 10 111.563 111.563 109.982 1.581 25910 1299 1 5 . 1 1 10 10 GLY C C 10 173.311 173.311 174.747 -1.436 25910 1300 1 5 . 1 1 10 10 GLY CA C 10 44.735 44.735 44.054 0.681 25910 1301 1 5 . 1 1 10 10 GLY H H 10 7.831 7.831 8.212 -0.381 25910 1302 1 5 . 1 1 11 11 LYS N N 11 122.942 122.942 118.663 4.279 25910 1303 1 5 . 1 1 11 11 LYS HA H 11 3.990 3.990 4.321 -0.331 25910 1304 1 5 . 1 1 11 11 LYS C C 11 178.822 178.822 176.641 2.181 25910 1305 1 5 . 1 1 11 11 LYS CA C 11 58.885 58.885 58.405 0.480 25910 1306 1 5 . 1 1 11 11 LYS CB C 11 32.330 32.330 32.328 0.002 25910 1307 1 5 . 1 1 11 11 LYS H H 11 9.419 9.419 8.578 0.841 25910 1308 1 5 . 1 1 12 12 THR N N 12 110.192 110.192 111.919 -1.727 25910 1309 1 5 . 1 1 12 12 THR HA H 12 4.312 4.312 4.375 -0.063 25910 1310 1 5 . 1 1 12 12 THR C C 12 173.575 173.575 173.477 0.098 25910 1311 1 5 . 1 1 12 12 THR CA C 12 61.517 61.517 63.110 -1.593 25910 1312 1 5 . 1 1 12 12 THR CB C 12 69.598 69.598 70.376 -0.778 25910 1313 1 5 . 1 1 12 12 THR H H 12 8.743 8.743 8.187 0.556 25910 1314 1 5 . 1 1 13 13 LEU N N 13 127.300 127.300 119.808 7.492 25910 1315 1 5 . 1 1 13 13 LEU HA H 13 4.401 4.401 4.943 -0.542 25910 1316 1 5 . 1 1 13 13 LEU C C 13 173.148 173.148 174.357 -1.209 25910 1317 1 5 . 1 1 13 13 LEU CA C 13 54.953 54.953 53.277 1.676 25910 1318 1 5 . 1 1 13 13 LEU CB C 13 43.166 43.166 44.222 -1.056 25910 1319 1 5 . 1 1 13 13 LEU H H 13 7.273 7.273 7.529 -0.256 25910 1320 1 5 . 1 1 14 14 LYS N N 14 125.544 125.544 118.923 6.621 25910 1321 1 5 . 1 1 14 14 LYS HA H 14 5.097 5.097 5.046 0.051 25910 1322 1 5 . 1 1 14 14 LYS C C 14 176.255 176.255 175.248 1.007 25910 1323 1 5 . 1 1 14 14 LYS CA C 14 53.661 53.661 54.960 -1.299 25910 1324 1 5 . 1 1 14 14 LYS CB C 14 34.743 34.743 36.478 -1.736 25910 1325 1 5 . 1 1 14 14 LYS H H 14 8.062 8.062 8.313 -0.251 25910 1326 1 5 . 1 1 15 15 GLY N N 15 111.144 111.144 107.828 3.316 25910 1327 1 5 . 1 1 15 15 GLY C C 15 171.151 171.151 172.047 -0.896 25910 1328 1 5 . 1 1 15 15 GLY CA C 15 45.006 45.006 45.487 -0.481 25910 1329 1 5 . 1 1 15 15 GLY H H 15 8.349 8.349 8.422 -0.073 25910 1330 1 5 . 1 1 16 16 GLU N N 16 120.581 120.581 122.207 -1.626 25910 1331 1 5 . 1 1 16 16 GLU HA H 16 5.546 5.546 5.438 0.108 25910 1332 1 5 . 1 1 16 16 GLU C C 16 175.034 175.034 174.921 0.113 25910 1333 1 5 . 1 1 16 16 GLU CA C 16 54.528 54.528 54.722 -0.194 25910 1334 1 5 . 1 1 16 16 GLU CB C 16 33.817 33.817 32.210 1.607 25910 1335 1 5 . 1 1 16 16 GLU H H 16 8.346 8.346 8.573 -0.227 25910 1336 1 5 . 1 1 17 17 THR N N 17 117.658 117.658 118.675 -1.017 25910 1337 1 5 . 1 1 17 17 THR HA H 17 4.622 4.622 4.602 0.020 25910 1338 1 5 . 1 1 17 17 THR C C 17 171.834 171.834 172.702 -0.868 25910 1339 1 5 . 1 1 17 17 THR CA C 17 60.610 60.610 60.150 0.460 25910 1340 1 5 . 1 1 17 17 THR CB C 17 69.030 69.030 71.330 -2.300 25910 1341 1 5 . 1 1 17 17 THR H H 17 8.636 8.636 8.545 0.091 25910 1342 1 5 . 1 1 18 18 THR N N 18 113.707 113.707 115.527 -1.820 25910 1343 1 5 . 1 1 18 18 THR HA H 18 5.794 5.794 4.585 1.209 25910 1344 1 5 . 1 1 18 18 THR C C 18 173.871 173.871 173.143 0.728 25910 1345 1 5 . 1 1 18 18 THR CA C 18 59.750 59.750 61.673 -1.923 25910 1346 1 5 . 1 1 18 18 THR CB C 18 73.077 73.077 70.014 3.063 25910 1347 1 5 . 1 1 18 18 THR H H 18 7.970 7.970 8.252 -0.282 25910 1348 1 5 . 1 1 19 19 THR N N 19 116.670 116.670 122.211 -5.541 25910 1349 1 5 . 1 1 19 19 THR HA H 19 4.606 4.606 4.735 -0.129 25910 1350 1 5 . 1 1 19 19 THR C C 19 171.009 171.009 172.942 -1.933 25910 1351 1 5 . 1 1 19 19 THR CA C 19 62.179 62.179 61.950 0.229 25910 1352 1 5 . 1 1 19 19 THR CB C 19 70.463 70.463 71.722 -1.258 25910 1353 1 5 . 1 1 19 19 THR H H 19 9.018 9.018 8.378 0.640 25910 1354 1 5 . 1 1 20 20 GLU N N 20 126.491 126.491 123.533 2.958 25910 1355 1 5 . 1 1 20 20 GLU HA H 20 5.528 5.528 4.913 0.615 25910 1356 1 5 . 1 1 20 20 GLU C C 20 176.205 176.205 175.508 0.697 25910 1357 1 5 . 1 1 20 20 GLU CA C 20 54.574 54.574 55.248 -0.674 25910 1358 1 5 . 1 1 20 20 GLU CB C 20 30.757 30.757 31.472 -0.715 25910 1359 1 5 . 1 1 20 20 GLU H H 20 7.922 7.922 8.600 -0.678 25910 1360 1 5 . 1 1 21 21 ALA N N 21 126.835 126.835 123.538 3.297 25910 1361 1 5 . 1 1 21 21 ALA HA H 21 4.740 4.740 4.671 0.069 25910 1362 1 5 . 1 1 21 21 ALA C C 21 177.223 177.223 176.188 1.035 25910 1363 1 5 . 1 1 21 21 ALA CA C 21 50.945 50.945 51.669 -0.724 25910 1364 1 5 . 1 1 21 21 ALA CB C 21 23.578 23.578 22.037 1.541 25910 1365 1 5 . 1 1 21 21 ALA H H 21 9.183 9.183 9.020 0.163 25910 1366 1 5 . 1 1 22 22 VAL N N 22 117.316 117.316 117.404 -0.088 25910 1367 1 5 . 1 1 22 22 VAL HA H 22 4.137 4.137 4.063 0.074 25910 1368 1 5 . 1 1 22 22 VAL C C 22 174.432 174.432 174.654 -0.222 25910 1369 1 5 . 1 1 22 22 VAL CA C 22 63.321 63.321 64.375 -1.054 25910 1370 1 5 . 1 1 22 22 VAL CB C 22 32.120 32.120 32.159 -0.039 25910 1371 1 5 . 1 1 22 22 VAL H H 22 8.519 8.519 8.678 -0.159 25910 1372 1 5 . 1 1 23 23 ASP N N 23 116.395 116.395 115.898 0.497 25910 1373 1 5 . 1 1 23 23 ASP HA H 23 4.580 4.580 4.799 -0.219 25910 1374 1 5 . 1 1 23 23 ASP C C 23 174.391 174.391 175.819 -1.428 25910 1375 1 5 . 1 1 23 23 ASP CA C 23 52.345 52.345 53.410 -1.065 25910 1376 1 5 . 1 1 23 23 ASP CB C 23 42.149 42.149 43.626 -1.477 25910 1377 1 5 . 1 1 23 23 ASP H H 23 7.191 7.191 7.481 -0.290 25910 1378 1 5 . 1 1 24 24 ALA N N 24 123.019 123.019 124.246 -1.227 25910 1379 1 5 . 1 1 24 24 ALA HA H 24 3.349 3.349 3.230 0.119 25910 1380 1 5 . 1 1 24 24 ALA C C 24 179.001 179.001 178.147 0.854 25910 1381 1 5 . 1 1 24 24 ALA CA C 24 54.346 54.346 54.778 -0.431 25910 1382 1 5 . 1 1 24 24 ALA CB C 24 17.327 17.327 18.276 -0.949 25910 1383 1 5 . 1 1 24 24 ALA H H 24 8.315 8.315 8.677 -0.362 25910 1384 1 5 . 1 1 25 25 ALA N N 25 122.203 122.203 119.477 2.726 25910 1385 1 5 . 1 1 25 25 ALA HA H 25 3.891 3.891 3.916 -0.025 25910 1386 1 5 . 1 1 25 25 ALA C C 25 180.736 180.736 179.214 1.522 25910 1387 1 5 . 1 1 25 25 ALA CA C 25 54.646 54.646 54.618 0.028 25910 1388 1 5 . 1 1 25 25 ALA CB C 25 17.623 17.623 17.956 -0.333 25910 1389 1 5 . 1 1 25 25 ALA H H 25 7.982 7.982 8.320 -0.338 25910 1390 1 5 . 1 1 26 26 THR N N 26 118.231 118.231 115.389 2.842 25910 1391 1 5 . 1 1 26 26 THR HA H 26 3.973 3.973 3.870 0.103 25910 1392 1 5 . 1 1 26 26 THR C C 26 175.969 175.969 176.060 -0.091 25910 1393 1 5 . 1 1 26 26 THR CA C 26 66.690 66.690 66.219 0.471 25910 1394 1 5 . 1 1 26 26 THR CB C 26 66.977 66.977 68.518 -1.541 25910 1395 1 5 . 1 1 26 26 THR H H 26 8.258 8.258 7.398 0.860 25910 1396 1 5 . 1 1 27 27 ALA N N 27 125.522 125.522 124.342 1.180 25910 1397 1 5 . 1 1 27 27 ALA HA H 27 3.008 3.008 3.156 -0.148 25910 1398 1 5 . 1 1 27 27 ALA C C 27 176.928 176.928 178.184 -1.256 25910 1399 1 5 . 1 1 27 27 ALA CA C 27 54.544 54.544 54.977 -0.433 25910 1400 1 5 . 1 1 27 27 ALA CB C 27 17.299 17.299 17.573 -0.274 25910 1401 1 5 . 1 1 27 27 ALA H H 27 6.992 6.992 7.374 -0.382 25910 1402 1 5 . 1 1 28 28 GLU N N 28 118.584 118.584 117.948 0.636 25910 1403 1 5 . 1 1 28 28 GLU HA H 28 2.575 2.575 3.296 -0.721 25910 1404 1 5 . 1 1 28 28 GLU C C 28 177.127 177.127 178.391 -1.264 25910 1405 1 5 . 1 1 28 28 GLU CA C 28 59.522 59.522 59.223 0.299 25910 1406 1 5 . 1 1 28 28 GLU CB C 28 32.612 32.612 29.300 3.312 25910 1407 1 5 . 1 1 28 28 GLU H H 28 8.284 8.284 8.195 0.089 25910 1408 1 5 . 1 1 29 29 LYS N N 29 118.504 118.504 119.216 -0.712 25910 1409 1 5 . 1 1 29 29 LYS HA H 29 3.654 3.654 3.859 -0.205 25910 1410 1 5 . 1 1 29 29 LYS C C 29 179.844 179.844 179.241 0.603 25910 1411 1 5 . 1 1 29 29 LYS CA C 29 59.589 59.589 59.121 0.468 25910 1412 1 5 . 1 1 29 29 LYS CB C 29 32.200 32.200 32.333 -0.133 25910 1413 1 5 . 1 1 29 29 LYS H H 29 6.861 6.861 7.366 -0.505 25910 1414 1 5 . 1 1 30 30 VAL N N 30 122.501 122.501 119.149 3.352 25910 1415 1 5 . 1 1 30 30 VAL HA H 30 3.550 3.550 3.707 -0.157 25910 1416 1 5 . 1 1 30 30 VAL C C 30 179.643 179.643 178.747 0.896 25910 1417 1 5 . 1 1 30 30 VAL CA C 30 65.870 65.870 66.149 -0.279 25910 1418 1 5 . 1 1 30 30 VAL CB C 30 31.729 31.729 31.378 0.351 25910 1419 1 5 . 1 1 30 30 VAL H H 30 7.203 7.203 7.814 -0.611 25910 1420 1 5 . 1 1 31 31 PHE N N 31 122.601 122.601 118.318 4.283 25910 1421 1 5 . 1 1 31 31 PHE C C 31 178.161 178.161 177.766 0.395 25910 1422 1 5 . 1 1 31 31 PHE CA C 31 55.903 55.903 58.737 -2.834 25910 1423 1 5 . 1 1 31 31 PHE H H 31 8.398 8.398 8.494 -0.096 25910 1424 1 5 . 1 1 32 32 LYS N N 32 124.739 124.739 119.871 4.868 25910 1425 1 5 . 1 1 32 32 LYS HA H 32 4.085 4.085 3.981 0.104 25910 1426 1 5 . 1 1 32 32 LYS C C 32 179.432 179.432 178.785 0.647 25910 1427 1 5 . 1 1 32 32 LYS CA C 32 59.714 59.714 59.838 -0.124 25910 1428 1 5 . 1 1 32 32 LYS CB C 32 31.660 31.660 31.846 -0.186 25910 1429 1 5 . 1 1 32 32 LYS H H 32 9.078 9.078 7.830 1.248 25910 1430 1 5 . 1 1 33 33 GLN N N 33 121.561 121.561 118.710 2.851 25910 1431 1 5 . 1 1 33 33 GLN HA H 33 3.986 3.986 4.022 -0.036 25910 1432 1 5 . 1 1 33 33 GLN C C 33 176.867 176.867 178.252 -1.385 25910 1433 1 5 . 1 1 33 33 GLN CA C 33 58.531 58.531 58.931 -0.400 25910 1434 1 5 . 1 1 33 33 GLN CB C 33 27.914 27.914 28.755 -0.841 25910 1435 1 5 . 1 1 33 33 GLN H H 33 7.325 7.325 7.675 -0.350 25910 1436 1 5 . 1 1 34 34 TYR N N 34 122.729 122.729 121.001 1.728 25910 1437 1 5 . 1 1 34 34 TYR HA H 34 4.206 4.206 4.112 0.094 25910 1438 1 5 . 1 1 34 34 TYR C C 34 178.875 178.875 177.343 1.532 25910 1439 1 5 . 1 1 34 34 TYR CA C 34 61.673 61.673 61.128 0.545 25910 1440 1 5 . 1 1 34 34 TYR CB C 34 38.779 38.779 38.304 0.475 25910 1441 1 5 . 1 1 34 34 TYR H H 34 8.165 8.165 7.735 0.430 25910 1442 1 5 . 1 1 35 35 ALA N N 35 124.565 124.565 120.106 4.459 25910 1443 1 5 . 1 1 35 35 ALA HA H 35 3.754 3.754 3.632 0.121 25910 1444 1 5 . 1 1 35 35 ALA C C 35 174.251 174.251 179.604 -5.353 25910 1445 1 5 . 1 1 35 35 ALA CA C 35 56.260 56.260 55.188 1.073 25910 1446 1 5 . 1 1 35 35 ALA CB C 35 17.622 17.622 18.200 -0.578 25910 1447 1 5 . 1 1 35 35 ALA H H 35 9.126 9.126 8.719 0.407 25910 1448 1 5 . 1 1 36 36 ASN N N 36 119.406 119.406 117.516 1.890 25910 1449 1 5 . 1 1 36 36 ASN HA H 36 4.370 4.370 4.604 -0.234 25910 1450 1 5 . 1 1 36 36 ASN C C 36 179.225 179.225 178.065 1.160 25910 1451 1 5 . 1 1 36 36 ASN CA C 36 56.845 56.845 55.856 0.989 25910 1452 1 5 . 1 1 36 36 ASN CB C 36 38.724 38.724 38.699 0.025 25910 1453 1 5 . 1 1 36 36 ASN H H 36 8.156 8.156 8.027 0.129 25910 1454 1 5 . 1 1 37 37 ASP N N 37 123.289 123.289 119.372 3.917 25910 1455 1 5 . 1 1 37 37 ASP HA H 37 4.291 4.291 4.481 -0.190 25910 1456 1 5 . 1 1 37 37 ASP C C 37 176.917 176.917 177.331 -0.414 25910 1457 1 5 . 1 1 37 37 ASP CA C 37 56.791 56.791 55.976 0.815 25910 1458 1 5 . 1 1 37 37 ASP CB C 37 41.927 41.927 40.928 0.999 25910 1459 1 5 . 1 1 37 37 ASP H H 37 8.854 8.854 8.447 0.407 25910 1460 1 5 . 1 1 38 38 ASN N N 38 117.154 117.154 116.308 0.846 25910 1461 1 5 . 1 1 38 38 ASN HA H 38 4.528 4.528 4.654 -0.126 25910 1462 1 5 . 1 1 38 38 ASN C C 38 173.809 173.809 175.309 -1.500 25910 1463 1 5 . 1 1 38 38 ASN CA C 38 53.604 53.604 52.154 1.450 25910 1464 1 5 . 1 1 38 38 ASN H H 38 7.302 7.302 7.429 -0.127 25910 1465 1 5 . 1 1 39 39 GLY N N 39 109.931 109.931 108.256 1.675 25910 1466 1 5 . 1 1 39 39 GLY C C 39 177.482 177.482 173.298 4.184 25910 1467 1 5 . 1 1 39 39 GLY CA C 39 46.647 46.647 45.571 1.076 25910 1468 1 5 . 1 1 39 39 GLY H H 39 7.716 7.716 7.620 0.096 25910 1469 1 5 . 1 1 40 40 VAL N N 40 122.793 122.793 118.655 4.138 25910 1470 1 5 . 1 1 40 40 VAL HA H 40 4.099 4.099 4.765 -0.666 25910 1471 1 5 . 1 1 40 40 VAL C C 40 173.752 173.752 173.729 0.023 25910 1472 1 5 . 1 1 40 40 VAL CA C 40 61.738 61.738 60.542 1.196 25910 1473 1 5 . 1 1 40 40 VAL CB C 40 32.918 32.918 34.953 -2.035 25910 1474 1 5 . 1 1 40 40 VAL H H 40 8.027 8.027 7.743 0.284 25910 1475 1 5 . 1 1 41 41 ASP N N 41 129.935 129.935 124.565 5.370 25910 1476 1 5 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.731 0.094 25910 1477 1 5 . 1 1 41 41 ASP C C 41 174.270 174.270 174.865 -0.595 25910 1478 1 5 . 1 1 41 41 ASP CA C 41 52.473 52.473 54.165 -1.692 25910 1479 1 5 . 1 1 41 41 ASP CB C 41 42.513 42.513 42.941 -0.428 25910 1480 1 5 . 1 1 41 41 ASP H H 41 8.588 8.588 8.416 0.172 25910 1481 1 5 . 1 1 42 42 GLY N N 42 109.126 109.126 109.405 -0.279 25910 1482 1 5 . 1 1 42 42 GLY C C 42 171.778 171.778 173.048 -1.270 25910 1483 1 5 . 1 1 42 42 GLY CA C 42 45.243 45.243 43.490 1.753 25910 1484 1 5 . 1 1 42 42 GLY H H 42 7.672 7.672 7.664 0.008 25910 1485 1 5 . 1 1 43 43 GLU N N 43 122.448 122.448 121.515 0.933 25910 1486 1 5 . 1 1 43 43 GLU HA H 43 4.628 4.628 4.395 0.233 25910 1487 1 5 . 1 1 43 43 GLU C C 43 176.874 176.874 176.661 0.213 25910 1488 1 5 . 1 1 43 43 GLU CA C 43 55.350 55.350 55.098 0.252 25910 1489 1 5 . 1 1 43 43 GLU CB C 43 31.207 31.207 30.379 0.828 25910 1490 1 5 . 1 1 43 43 GLU H H 43 8.089 8.089 8.364 -0.275 25910 1491 1 5 . 1 1 44 44 TRP N N 44 130.232 130.232 128.692 1.540 25910 1492 1 5 . 1 1 44 44 TRP HA H 44 5.313 5.313 5.057 0.256 25910 1493 1 5 . 1 1 44 44 TRP C C 44 176.867 176.867 176.895 -0.028 25910 1494 1 5 . 1 1 44 44 TRP CA C 44 57.688 57.688 57.860 -0.172 25910 1495 1 5 . 1 1 44 44 TRP CB C 44 30.268 30.268 29.137 1.131 25910 1496 1 5 . 1 1 44 44 TRP H H 44 9.284 9.284 8.630 0.654 25910 1497 1 5 . 1 1 45 45 THR N N 45 116.544 116.544 120.930 -4.386 25910 1498 1 5 . 1 1 45 45 THR HA H 45 4.626 4.626 4.875 -0.249 25910 1499 1 5 . 1 1 45 45 THR C C 45 172.518 172.518 172.568 -0.050 25910 1500 1 5 . 1 1 45 45 THR CA C 45 60.392 60.392 61.210 -0.818 25910 1501 1 5 . 1 1 45 45 THR CB C 45 72.517 72.517 71.255 1.262 25910 1502 1 5 . 1 1 45 45 THR H H 45 9.192 9.192 9.188 0.004 25910 1503 1 5 . 1 1 46 46 TYR N N 46 122.420 122.420 121.766 0.654 25910 1504 1 5 . 1 1 46 46 TYR HA H 46 4.375 4.375 5.204 -0.829 25910 1505 1 5 . 1 1 46 46 TYR C C 46 173.077 173.077 173.545 -0.468 25910 1506 1 5 . 1 1 46 46 TYR CA C 46 56.663 56.663 54.583 2.080 25910 1507 1 5 . 1 1 46 46 TYR CB C 46 38.701 38.701 40.535 -1.834 25910 1508 1 5 . 1 1 46 46 TYR H H 46 8.512 8.512 8.027 0.485 25910 1509 1 5 . 1 1 47 47 ASP N N 47 130.329 130.329 122.267 8.062 25910 1510 1 5 . 1 1 47 47 ASP HA H 47 4.520 4.520 4.804 -0.284 25910 1511 1 5 . 1 1 47 47 ASP C C 47 174.266 174.266 176.335 -2.069 25910 1512 1 5 . 1 1 47 47 ASP CA C 47 51.864 51.864 53.002 -1.138 25910 1513 1 5 . 1 1 47 47 ASP CB C 47 42.670 42.670 43.628 -0.958 25910 1514 1 5 . 1 1 47 47 ASP H H 47 7.613 7.613 8.857 -1.244 25910 1515 1 5 . 1 1 48 48 ASP N N 48 126.699 126.699 126.551 0.148 25910 1516 1 5 . 1 1 48 48 ASP HA H 48 4.019 4.019 4.314 -0.295 25910 1517 1 5 . 1 1 48 48 ASP C C 48 177.981 177.981 176.591 1.390 25910 1518 1 5 . 1 1 48 48 ASP CA C 48 56.198 56.198 56.705 -0.507 25910 1519 1 5 . 1 1 48 48 ASP CB C 48 41.614 41.614 41.235 0.379 25910 1520 1 5 . 1 1 48 48 ASP H H 48 8.422 8.422 8.958 -0.536 25910 1521 1 5 . 1 1 49 49 ALA N N 49 121.819 121.819 122.762 -0.943 25910 1522 1 5 . 1 1 49 49 ALA HA H 49 4.021 4.021 4.151 -0.130 25910 1523 1 5 . 1 1 49 49 ALA C C 49 179.522 179.522 179.974 -0.452 25910 1524 1 5 . 1 1 49 49 ALA CA C 49 54.829 54.829 54.903 -0.074 25910 1525 1 5 . 1 1 49 49 ALA CB C 49 18.168 18.168 18.774 -0.606 25910 1526 1 5 . 1 1 49 49 ALA H H 49 8.202 8.202 7.718 0.484 25910 1527 1 5 . 1 1 50 50 THR N N 50 105.089 105.089 112.804 -7.715 25910 1528 1 5 . 1 1 50 50 THR HA H 50 4.318 4.318 4.170 0.148 25910 1529 1 5 . 1 1 50 50 THR C C 50 174.943 174.943 174.793 0.150 25910 1530 1 5 . 1 1 50 50 THR CA C 50 60.343 60.343 63.660 -3.317 25910 1531 1 5 . 1 1 50 50 THR CB C 50 69.532 69.532 69.128 0.404 25910 1532 1 5 . 1 1 50 50 THR H H 50 6.890 6.890 8.603 -1.713 25910 1533 1 5 . 1 1 51 51 LYS N N 51 125.512 125.512 117.761 7.751 25910 1534 1 5 . 1 1 51 51 LYS HA H 51 4.079 4.079 3.842 0.237 25910 1535 1 5 . 1 1 51 51 LYS C C 51 174.733 174.733 175.058 -0.325 25910 1536 1 5 . 1 1 51 51 LYS CA C 51 57.119 57.119 57.315 -0.196 25910 1537 1 5 . 1 1 51 51 LYS CB C 51 33.975 33.975 30.053 3.922 25910 1538 1 5 . 1 1 51 51 LYS H H 51 7.764 7.764 7.894 -0.130 25910 1539 1 5 . 1 1 52 52 THR N N 52 112.742 112.742 109.708 3.034 25910 1540 1 5 . 1 1 52 52 THR HA H 52 5.437 5.437 5.547 -0.110 25910 1541 1 5 . 1 1 52 52 THR C C 52 174.733 174.733 172.987 1.746 25910 1542 1 5 . 1 1 52 52 THR CA C 52 62.078 62.078 60.334 1.744 25910 1543 1 5 . 1 1 52 52 THR CB C 52 63.076 63.076 72.521 -9.445 25910 1544 1 5 . 1 1 52 52 THR H H 52 7.261 7.261 8.205 -0.944 25910 1545 1 5 . 1 1 53 53 PHE N N 53 132.937 132.937 123.177 9.760 25910 1546 1 5 . 1 1 53 53 PHE HA H 53 5.641 5.641 5.469 0.172 25910 1547 1 5 . 1 1 53 53 PHE C C 53 174.377 174.377 173.825 0.552 25910 1548 1 5 . 1 1 53 53 PHE CA C 53 56.995 56.995 56.678 0.316 25910 1549 1 5 . 1 1 53 53 PHE CB C 53 42.679 42.679 42.450 0.229 25910 1550 1 5 . 1 1 53 53 PHE H H 53 10.363 10.363 9.413 0.950 25910 1551 1 5 . 1 1 54 54 THR N N 54 119.069 119.069 123.004 -3.935 25910 1552 1 5 . 1 1 54 54 THR HA H 54 5.140 5.140 5.216 -0.076 25910 1553 1 5 . 1 1 54 54 THR C C 54 172.417 172.417 173.471 -1.054 25910 1554 1 5 . 1 1 54 54 THR CA C 54 61.408 61.408 61.218 0.190 25910 1555 1 5 . 1 1 54 54 THR CB C 54 65.839 65.839 70.796 -4.957 25910 1556 1 5 . 1 1 54 54 THR H H 54 9.011 9.011 9.256 -0.245 25910 1557 1 5 . 1 1 55 55 VAL N N 55 125.268 125.268 128.229 -2.961 25910 1558 1 5 . 1 1 55 55 VAL HA H 55 4.382 4.382 4.154 0.228 25910 1559 1 5 . 1 1 55 55 VAL CA C 55 57.834 57.834 60.334 -2.500 25910 1560 1 5 . 1 1 55 55 VAL CB C 55 32.223 32.223 30.015 2.208 25910 1561 1 5 . 1 1 55 55 VAL H H 55 8.122 8.122 8.804 -0.682 25910 1562 1 5 . 1 1 56 56 THR N N 56 125.548 125.548 124.375 1.173 25910 1563 1 5 . 1 1 56 56 THR C C 56 173.901 173.901 173.989 -0.088 25910 1564 1 5 . 1 1 56 56 THR CA C 56 61.272 61.272 62.027 -0.755 25910 1565 1 5 . 1 1 56 56 THR H H 56 8.306 8.306 8.172 0.134 25910 1566 1 6 . 1 1 2 2 GLY N N 2 113.750 113.750 111.900 1.850 25910 1567 1 6 . 1 1 2 2 GLY C C 2 176.605 176.605 172.858 3.747 25910 1568 1 6 . 1 1 2 2 GLY CA C 2 44.589 44.589 44.631 -0.042 25910 1569 1 6 . 1 1 2 2 GLY H H 2 8.454 8.454 8.551 -0.097 25910 1570 1 6 . 1 1 3 3 THR N N 3 118.182 118.182 118.016 0.166 25910 1571 1 6 . 1 1 3 3 THR HA H 3 4.594 4.594 4.504 0.090 25910 1572 1 6 . 1 1 3 3 THR C C 3 173.943 173.943 173.147 0.796 25910 1573 1 6 . 1 1 3 3 THR CA C 3 62.633 62.633 61.904 0.729 25910 1574 1 6 . 1 1 3 3 THR CB C 3 72.413 72.413 70.477 1.936 25910 1575 1 6 . 1 1 3 3 THR H H 3 8.076 8.076 8.287 -0.211 25910 1576 1 6 . 1 1 4 4 TYR N N 4 128.256 128.256 122.841 5.415 25910 1577 1 6 . 1 1 4 4 TYR HA H 4 5.271 5.271 4.819 0.452 25910 1578 1 6 . 1 1 4 4 TYR C C 4 174.213 174.213 174.852 -0.639 25910 1579 1 6 . 1 1 4 4 TYR CA C 4 56.625 56.625 57.287 -0.662 25910 1580 1 6 . 1 1 4 4 TYR CB C 4 42.657 42.657 40.276 2.381 25910 1581 1 6 . 1 1 4 4 TYR H H 4 9.273 9.273 8.847 0.426 25910 1582 1 6 . 1 1 5 5 LYS N N 5 124.678 124.678 125.190 -0.512 25910 1583 1 6 . 1 1 5 5 LYS HA H 5 5.169 5.169 4.622 0.547 25910 1584 1 6 . 1 1 5 5 LYS C C 5 172.616 172.616 174.497 -1.881 25910 1585 1 6 . 1 1 5 5 LYS CA C 5 54.875 54.875 56.344 -1.469 25910 1586 1 6 . 1 1 5 5 LYS CB C 5 28.908 28.908 34.050 -5.142 25910 1587 1 6 . 1 1 5 5 LYS H H 5 9.075 9.075 9.138 -0.063 25910 1588 1 6 . 1 1 6 6 LEU N N 6 128.375 128.375 127.031 1.344 25910 1589 1 6 . 1 1 6 6 LEU HA H 6 4.839 4.839 4.962 -0.123 25910 1590 1 6 . 1 1 6 6 LEU C C 6 174.425 174.425 174.815 -0.390 25910 1591 1 6 . 1 1 6 6 LEU CA C 6 52.459 52.459 53.154 -0.695 25910 1592 1 6 . 1 1 6 6 LEU H H 6 8.541 8.541 8.672 -0.131 25910 1593 1 6 . 1 1 7 7 ILE N N 7 128.123 128.123 126.792 1.331 25910 1594 1 6 . 1 1 7 7 ILE HA H 7 4.221 4.221 4.579 -0.358 25910 1595 1 6 . 1 1 7 7 ILE C C 7 174.566 174.566 174.103 0.463 25910 1596 1 6 . 1 1 7 7 ILE CA C 7 60.226 60.226 59.933 0.293 25910 1597 1 6 . 1 1 7 7 ILE CB C 7 37.977 37.977 39.224 -1.247 25910 1598 1 6 . 1 1 7 7 ILE H H 7 9.020 9.020 9.207 -0.187 25910 1599 1 6 . 1 1 8 8 LEU N N 8 127.628 127.628 129.231 -1.603 25910 1600 1 6 . 1 1 8 8 LEU HA H 8 4.383 4.383 4.249 0.134 25910 1601 1 6 . 1 1 8 8 LEU C C 8 174.640 174.640 174.656 -0.016 25910 1602 1 6 . 1 1 8 8 LEU CA C 8 54.428 54.428 54.626 -0.198 25910 1603 1 6 . 1 1 8 8 LEU CB C 8 42.014 42.014 42.757 -0.743 25910 1604 1 6 . 1 1 8 8 LEU H H 8 8.640 8.640 8.798 -0.158 25910 1605 1 6 . 1 1 9 9 ASN N N 9 128.380 128.380 125.811 2.569 25910 1606 1 6 . 1 1 9 9 ASN HA H 9 5.214 5.214 5.023 0.191 25910 1607 1 6 . 1 1 9 9 ASN C C 9 175.683 175.683 174.334 1.349 25910 1608 1 6 . 1 1 9 9 ASN CA C 9 50.778 50.778 52.041 -1.263 25910 1609 1 6 . 1 1 9 9 ASN CB C 9 37.691 37.691 40.389 -2.698 25910 1610 1 6 . 1 1 9 9 ASN H H 9 8.830 8.830 8.572 0.258 25910 1611 1 6 . 1 1 10 10 GLY N N 10 111.563 111.563 110.143 1.420 25910 1612 1 6 . 1 1 10 10 GLY C C 10 173.311 173.311 174.371 -1.060 25910 1613 1 6 . 1 1 10 10 GLY CA C 10 44.735 44.735 44.002 0.733 25910 1614 1 6 . 1 1 10 10 GLY H H 10 7.831 7.831 8.212 -0.381 25910 1615 1 6 . 1 1 11 11 LYS N N 11 122.942 122.942 119.598 3.344 25910 1616 1 6 . 1 1 11 11 LYS HA H 11 3.990 3.990 4.231 -0.241 25910 1617 1 6 . 1 1 11 11 LYS C C 11 178.822 178.822 177.042 1.780 25910 1618 1 6 . 1 1 11 11 LYS CA C 11 58.885 58.885 58.132 0.753 25910 1619 1 6 . 1 1 11 11 LYS CB C 11 32.330 32.330 32.900 -0.570 25910 1620 1 6 . 1 1 11 11 LYS H H 11 9.419 9.419 8.758 0.661 25910 1621 1 6 . 1 1 12 12 THR N N 12 110.192 110.192 112.284 -2.092 25910 1622 1 6 . 1 1 12 12 THR HA H 12 4.312 4.312 4.396 -0.084 25910 1623 1 6 . 1 1 12 12 THR C C 12 173.575 173.575 173.739 -0.164 25910 1624 1 6 . 1 1 12 12 THR CA C 12 61.517 61.517 63.118 -1.601 25910 1625 1 6 . 1 1 12 12 THR CB C 12 69.598 69.598 70.733 -1.135 25910 1626 1 6 . 1 1 12 12 THR H H 12 8.743 8.743 8.325 0.418 25910 1627 1 6 . 1 1 13 13 LEU N N 13 127.300 127.300 120.183 7.117 25910 1628 1 6 . 1 1 13 13 LEU HA H 13 4.401 4.401 4.935 -0.534 25910 1629 1 6 . 1 1 13 13 LEU C C 13 173.148 173.148 174.331 -1.183 25910 1630 1 6 . 1 1 13 13 LEU CA C 13 54.953 54.953 53.478 1.475 25910 1631 1 6 . 1 1 13 13 LEU CB C 13 43.166 43.166 43.971 -0.805 25910 1632 1 6 . 1 1 13 13 LEU H H 13 7.273 7.273 7.622 -0.349 25910 1633 1 6 . 1 1 14 14 LYS N N 14 125.544 125.544 119.030 6.514 25910 1634 1 6 . 1 1 14 14 LYS HA H 14 5.097 5.097 5.060 0.037 25910 1635 1 6 . 1 1 14 14 LYS C C 14 176.255 176.255 175.303 0.952 25910 1636 1 6 . 1 1 14 14 LYS CA C 14 53.661 53.661 54.803 -1.143 25910 1637 1 6 . 1 1 14 14 LYS CB C 14 34.743 34.743 36.459 -1.716 25910 1638 1 6 . 1 1 14 14 LYS H H 14 8.062 8.062 8.299 -0.237 25910 1639 1 6 . 1 1 15 15 GLY N N 15 111.144 111.144 107.698 3.446 25910 1640 1 6 . 1 1 15 15 GLY C C 15 171.151 171.151 172.092 -0.941 25910 1641 1 6 . 1 1 15 15 GLY CA C 15 45.006 45.006 45.552 -0.546 25910 1642 1 6 . 1 1 15 15 GLY H H 15 8.349 8.349 8.495 -0.146 25910 1643 1 6 . 1 1 16 16 GLU N N 16 120.581 120.581 121.773 -1.192 25910 1644 1 6 . 1 1 16 16 GLU HA H 16 5.546 5.546 5.518 0.028 25910 1645 1 6 . 1 1 16 16 GLU C C 16 175.034 175.034 175.092 -0.058 25910 1646 1 6 . 1 1 16 16 GLU CA C 16 54.528 54.528 55.083 -0.555 25910 1647 1 6 . 1 1 16 16 GLU CB C 16 33.817 33.817 32.301 1.516 25910 1648 1 6 . 1 1 16 16 GLU H H 16 8.346 8.346 8.692 -0.346 25910 1649 1 6 . 1 1 17 17 THR N N 17 117.658 117.658 118.579 -0.921 25910 1650 1 6 . 1 1 17 17 THR HA H 17 4.622 4.622 4.749 -0.127 25910 1651 1 6 . 1 1 17 17 THR C C 17 171.834 171.834 172.731 -0.897 25910 1652 1 6 . 1 1 17 17 THR CA C 17 60.610 60.610 60.397 0.213 25910 1653 1 6 . 1 1 17 17 THR CB C 17 69.030 69.030 71.714 -2.684 25910 1654 1 6 . 1 1 17 17 THR H H 17 8.636 8.636 9.025 -0.389 25910 1655 1 6 . 1 1 18 18 THR N N 18 113.707 113.707 115.619 -1.912 25910 1656 1 6 . 1 1 18 18 THR HA H 18 5.794 5.794 5.042 0.752 25910 1657 1 6 . 1 1 18 18 THR C C 18 173.871 173.871 173.111 0.760 25910 1658 1 6 . 1 1 18 18 THR CA C 18 59.750 59.750 62.087 -2.337 25910 1659 1 6 . 1 1 18 18 THR CB C 18 73.077 73.077 70.093 2.984 25910 1660 1 6 . 1 1 18 18 THR H H 18 7.970 7.970 8.455 -0.485 25910 1661 1 6 . 1 1 19 19 THR N N 19 116.670 116.670 123.016 -6.346 25910 1662 1 6 . 1 1 19 19 THR HA H 19 4.606 4.606 4.795 -0.189 25910 1663 1 6 . 1 1 19 19 THR C C 19 171.009 171.009 172.737 -1.728 25910 1664 1 6 . 1 1 19 19 THR CA C 19 62.179 62.179 61.739 0.440 25910 1665 1 6 . 1 1 19 19 THR CB C 19 70.463 70.463 71.466 -1.003 25910 1666 1 6 . 1 1 19 19 THR H H 19 9.018 9.018 8.663 0.355 25910 1667 1 6 . 1 1 20 20 GLU N N 20 126.491 126.491 124.223 2.268 25910 1668 1 6 . 1 1 20 20 GLU HA H 20 5.528 5.528 4.845 0.683 25910 1669 1 6 . 1 1 20 20 GLU C C 20 176.205 176.205 175.409 0.796 25910 1670 1 6 . 1 1 20 20 GLU CA C 20 54.574 54.574 55.665 -1.091 25910 1671 1 6 . 1 1 20 20 GLU CB C 20 30.757 30.757 30.900 -0.143 25910 1672 1 6 . 1 1 20 20 GLU H H 20 7.922 7.922 8.591 -0.669 25910 1673 1 6 . 1 1 21 21 ALA N N 21 126.835 126.835 125.555 1.280 25910 1674 1 6 . 1 1 21 21 ALA HA H 21 4.740 4.740 4.618 0.122 25910 1675 1 6 . 1 1 21 21 ALA C C 21 177.223 177.223 176.363 0.860 25910 1676 1 6 . 1 1 21 21 ALA CA C 21 50.945 50.945 51.404 -0.459 25910 1677 1 6 . 1 1 21 21 ALA CB C 21 23.578 23.578 21.938 1.640 25910 1678 1 6 . 1 1 21 21 ALA H H 21 9.183 9.183 8.711 0.472 25910 1679 1 6 . 1 1 22 22 VAL N N 22 117.316 117.316 119.766 -2.450 25910 1680 1 6 . 1 1 22 22 VAL HA H 22 4.137 4.137 3.953 0.184 25910 1681 1 6 . 1 1 22 22 VAL C C 22 174.432 174.432 175.100 -0.668 25910 1682 1 6 . 1 1 22 22 VAL CA C 22 63.321 63.321 64.296 -0.975 25910 1683 1 6 . 1 1 22 22 VAL CB C 22 32.120 32.120 32.239 -0.119 25910 1684 1 6 . 1 1 22 22 VAL H H 22 8.519 8.519 8.660 -0.141 25910 1685 1 6 . 1 1 23 23 ASP N N 23 116.395 116.395 116.032 0.363 25910 1686 1 6 . 1 1 23 23 ASP HA H 23 4.580 4.580 4.879 -0.299 25910 1687 1 6 . 1 1 23 23 ASP C C 23 174.391 174.391 175.667 -1.276 25910 1688 1 6 . 1 1 23 23 ASP CA C 23 52.345 52.345 53.290 -0.945 25910 1689 1 6 . 1 1 23 23 ASP CB C 23 42.149 42.149 42.754 -0.605 25910 1690 1 6 . 1 1 23 23 ASP H H 23 7.191 7.191 7.693 -0.502 25910 1691 1 6 . 1 1 24 24 ALA N N 24 123.019 123.019 123.742 -0.723 25910 1692 1 6 . 1 1 24 24 ALA HA H 24 3.349 3.349 3.332 0.017 25910 1693 1 6 . 1 1 24 24 ALA C C 24 179.001 179.001 178.319 0.682 25910 1694 1 6 . 1 1 24 24 ALA CA C 24 54.346 54.346 54.901 -0.555 25910 1695 1 6 . 1 1 24 24 ALA CB C 24 17.327 17.327 18.235 -0.908 25910 1696 1 6 . 1 1 24 24 ALA H H 24 8.315 8.315 8.507 -0.192 25910 1697 1 6 . 1 1 25 25 ALA N N 25 122.203 122.203 120.973 1.230 25910 1698 1 6 . 1 1 25 25 ALA HA H 25 3.891 3.891 3.973 -0.082 25910 1699 1 6 . 1 1 25 25 ALA C C 25 180.736 180.736 179.509 1.227 25910 1700 1 6 . 1 1 25 25 ALA CA C 25 54.646 54.646 55.133 -0.487 25910 1701 1 6 . 1 1 25 25 ALA CB C 25 17.623 17.623 17.698 -0.075 25910 1702 1 6 . 1 1 25 25 ALA H H 25 7.982 7.982 8.391 -0.409 25910 1703 1 6 . 1 1 26 26 THR N N 26 118.231 118.231 115.345 2.886 25910 1704 1 6 . 1 1 26 26 THR HA H 26 3.973 3.973 3.897 0.076 25910 1705 1 6 . 1 1 26 26 THR C C 26 175.969 175.969 176.360 -0.391 25910 1706 1 6 . 1 1 26 26 THR CA C 26 66.690 66.690 66.139 0.551 25910 1707 1 6 . 1 1 26 26 THR CB C 26 66.977 66.977 68.440 -1.463 25910 1708 1 6 . 1 1 26 26 THR H H 26 8.258 8.258 7.402 0.856 25910 1709 1 6 . 1 1 27 27 ALA N N 27 125.522 125.522 124.273 1.249 25910 1710 1 6 . 1 1 27 27 ALA HA H 27 3.008 3.008 3.548 -0.540 25910 1711 1 6 . 1 1 27 27 ALA C C 27 176.928 176.928 178.629 -1.701 25910 1712 1 6 . 1 1 27 27 ALA CA C 27 54.544 54.544 55.270 -0.726 25910 1713 1 6 . 1 1 27 27 ALA CB C 27 17.299 17.299 17.658 -0.359 25910 1714 1 6 . 1 1 27 27 ALA H H 27 6.992 6.992 7.887 -0.895 25910 1715 1 6 . 1 1 28 28 GLU N N 28 118.584 118.584 118.496 0.088 25910 1716 1 6 . 1 1 28 28 GLU HA H 28 2.575 2.575 3.500 -0.925 25910 1717 1 6 . 1 1 28 28 GLU C C 28 177.127 177.127 178.440 -1.313 25910 1718 1 6 . 1 1 28 28 GLU CA C 28 59.522 59.522 59.367 0.155 25910 1719 1 6 . 1 1 28 28 GLU CB C 28 32.612 32.612 29.411 3.201 25910 1720 1 6 . 1 1 28 28 GLU H H 28 8.284 8.284 8.294 -0.010 25910 1721 1 6 . 1 1 29 29 LYS N N 29 118.504 118.504 119.056 -0.552 25910 1722 1 6 . 1 1 29 29 LYS HA H 29 3.654 3.654 3.859 -0.205 25910 1723 1 6 . 1 1 29 29 LYS C C 29 179.844 179.844 179.339 0.505 25910 1724 1 6 . 1 1 29 29 LYS CA C 29 59.589 59.589 59.059 0.531 25910 1725 1 6 . 1 1 29 29 LYS CB C 29 32.200 32.200 32.354 -0.154 25910 1726 1 6 . 1 1 29 29 LYS H H 29 6.861 6.861 7.630 -0.769 25910 1727 1 6 . 1 1 30 30 VAL N N 30 122.501 122.501 119.646 2.855 25910 1728 1 6 . 1 1 30 30 VAL HA H 30 3.550 3.550 3.657 -0.107 25910 1729 1 6 . 1 1 30 30 VAL C C 30 179.643 179.643 178.651 0.992 25910 1730 1 6 . 1 1 30 30 VAL CA C 30 65.870 65.870 65.937 -0.067 25910 1731 1 6 . 1 1 30 30 VAL CB C 30 31.729 31.729 31.234 0.495 25910 1732 1 6 . 1 1 30 30 VAL H H 30 7.203 7.203 7.948 -0.745 25910 1733 1 6 . 1 1 31 31 PHE N N 31 122.601 122.601 118.519 4.082 25910 1734 1 6 . 1 1 31 31 PHE C C 31 178.161 178.161 177.637 0.524 25910 1735 1 6 . 1 1 31 31 PHE CA C 31 55.903 55.903 60.092 -4.189 25910 1736 1 6 . 1 1 31 31 PHE H H 31 8.398 8.398 8.482 -0.084 25910 1737 1 6 . 1 1 32 32 LYS N N 32 124.739 124.739 120.258 4.481 25910 1738 1 6 . 1 1 32 32 LYS HA H 32 4.085 4.085 3.823 0.262 25910 1739 1 6 . 1 1 32 32 LYS C C 32 179.432 179.432 178.561 0.871 25910 1740 1 6 . 1 1 32 32 LYS CA C 32 59.714 59.714 59.905 -0.191 25910 1741 1 6 . 1 1 32 32 LYS CB C 32 31.660 31.660 31.911 -0.251 25910 1742 1 6 . 1 1 32 32 LYS H H 32 9.078 9.078 8.082 0.996 25910 1743 1 6 . 1 1 33 33 GLN N N 33 121.561 121.561 118.258 3.303 25910 1744 1 6 . 1 1 33 33 GLN HA H 33 3.986 3.986 4.029 -0.043 25910 1745 1 6 . 1 1 33 33 GLN C C 33 176.867 176.867 178.275 -1.408 25910 1746 1 6 . 1 1 33 33 GLN CA C 33 58.531 58.531 58.948 -0.417 25910 1747 1 6 . 1 1 33 33 GLN CB C 33 27.914 27.914 28.683 -0.769 25910 1748 1 6 . 1 1 33 33 GLN H H 33 7.325 7.325 7.788 -0.463 25910 1749 1 6 . 1 1 34 34 TYR N N 34 122.729 122.729 120.630 2.099 25910 1750 1 6 . 1 1 34 34 TYR HA H 34 4.206 4.206 4.161 0.045 25910 1751 1 6 . 1 1 34 34 TYR C C 34 178.875 178.875 177.143 1.732 25910 1752 1 6 . 1 1 34 34 TYR CA C 34 61.673 61.673 60.132 1.541 25910 1753 1 6 . 1 1 34 34 TYR CB C 34 38.779 38.779 38.055 0.724 25910 1754 1 6 . 1 1 34 34 TYR H H 34 8.165 8.165 8.279 -0.114 25910 1755 1 6 . 1 1 35 35 ALA N N 35 124.565 124.565 121.461 3.104 25910 1756 1 6 . 1 1 35 35 ALA HA H 35 3.754 3.754 3.670 0.084 25910 1757 1 6 . 1 1 35 35 ALA C C 35 174.251 174.251 179.630 -5.379 25910 1758 1 6 . 1 1 35 35 ALA CA C 35 56.260 56.260 55.062 1.198 25910 1759 1 6 . 1 1 35 35 ALA CB C 35 17.622 17.622 18.297 -0.675 25910 1760 1 6 . 1 1 35 35 ALA H H 35 9.126 9.126 8.080 1.046 25910 1761 1 6 . 1 1 36 36 ASN N N 36 119.406 119.406 116.772 2.634 25910 1762 1 6 . 1 1 36 36 ASN HA H 36 4.370 4.370 4.498 -0.128 25910 1763 1 6 . 1 1 36 36 ASN C C 36 179.225 179.225 177.197 2.028 25910 1764 1 6 . 1 1 36 36 ASN CA C 36 56.845 56.845 55.374 1.471 25910 1765 1 6 . 1 1 36 36 ASN CB C 36 38.724 38.724 38.760 -0.036 25910 1766 1 6 . 1 1 36 36 ASN H H 36 8.156 8.156 8.168 -0.012 25910 1767 1 6 . 1 1 37 37 ASP N N 37 123.289 123.289 118.715 4.574 25910 1768 1 6 . 1 1 37 37 ASP HA H 37 4.291 4.291 4.507 -0.216 25910 1769 1 6 . 1 1 37 37 ASP C C 37 176.917 176.917 177.868 -0.951 25910 1770 1 6 . 1 1 37 37 ASP CA C 37 56.791 56.791 56.166 0.625 25910 1771 1 6 . 1 1 37 37 ASP CB C 37 41.927 41.927 41.320 0.607 25910 1772 1 6 . 1 1 37 37 ASP H H 37 8.854 8.854 8.467 0.387 25910 1773 1 6 . 1 1 38 38 ASN N N 38 117.154 117.154 115.937 1.217 25910 1774 1 6 . 1 1 38 38 ASN HA H 38 4.528 4.528 4.802 -0.274 25910 1775 1 6 . 1 1 38 38 ASN C C 38 173.809 173.809 175.660 -1.851 25910 1776 1 6 . 1 1 38 38 ASN CA C 38 53.604 53.604 52.506 1.098 25910 1777 1 6 . 1 1 38 38 ASN H H 38 7.302 7.302 7.640 -0.338 25910 1778 1 6 . 1 1 39 39 GLY N N 39 109.931 109.931 107.853 2.078 25910 1779 1 6 . 1 1 39 39 GLY C C 39 177.482 177.482 173.376 4.106 25910 1780 1 6 . 1 1 39 39 GLY CA C 39 46.647 46.647 45.012 1.635 25910 1781 1 6 . 1 1 39 39 GLY H H 39 7.716 7.716 7.826 -0.110 25910 1782 1 6 . 1 1 40 40 VAL N N 40 122.793 122.793 120.191 2.602 25910 1783 1 6 . 1 1 40 40 VAL HA H 40 4.099 4.099 4.481 -0.382 25910 1784 1 6 . 1 1 40 40 VAL C C 40 173.752 173.752 173.798 -0.046 25910 1785 1 6 . 1 1 40 40 VAL CA C 40 61.738 61.738 61.261 0.477 25910 1786 1 6 . 1 1 40 40 VAL CB C 40 32.918 32.918 34.580 -1.662 25910 1787 1 6 . 1 1 40 40 VAL H H 40 8.027 8.027 7.887 0.140 25910 1788 1 6 . 1 1 41 41 ASP N N 41 129.935 129.935 125.282 4.653 25910 1789 1 6 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.742 0.083 25910 1790 1 6 . 1 1 41 41 ASP C C 41 174.270 174.270 174.659 -0.389 25910 1791 1 6 . 1 1 41 41 ASP CA C 41 52.473 52.473 54.155 -1.682 25910 1792 1 6 . 1 1 41 41 ASP CB C 41 42.513 42.513 43.010 -0.497 25910 1793 1 6 . 1 1 41 41 ASP H H 41 8.588 8.588 8.928 -0.340 25910 1794 1 6 . 1 1 42 42 GLY N N 42 109.126 109.126 109.075 0.051 25910 1795 1 6 . 1 1 42 42 GLY C C 42 171.778 171.778 172.934 -1.156 25910 1796 1 6 . 1 1 42 42 GLY CA C 42 45.243 45.243 43.377 1.866 25910 1797 1 6 . 1 1 42 42 GLY H H 42 7.672 7.672 7.705 -0.033 25910 1798 1 6 . 1 1 43 43 GLU N N 43 122.448 122.448 120.582 1.866 25910 1799 1 6 . 1 1 43 43 GLU HA H 43 4.628 4.628 4.381 0.247 25910 1800 1 6 . 1 1 43 43 GLU C C 43 176.874 176.874 176.318 0.556 25910 1801 1 6 . 1 1 43 43 GLU CA C 43 55.350 55.350 56.324 -0.974 25910 1802 1 6 . 1 1 43 43 GLU CB C 43 31.207 31.207 30.873 0.334 25910 1803 1 6 . 1 1 43 43 GLU H H 43 8.089 8.089 8.128 -0.039 25910 1804 1 6 . 1 1 44 44 TRP N N 44 130.232 130.232 127.336 2.896 25910 1805 1 6 . 1 1 44 44 TRP HA H 44 5.313 5.313 5.564 -0.251 25910 1806 1 6 . 1 1 44 44 TRP C C 44 176.867 176.867 176.753 0.114 25910 1807 1 6 . 1 1 44 44 TRP CA C 44 57.688 57.688 56.355 1.333 25910 1808 1 6 . 1 1 44 44 TRP CB C 44 30.268 30.268 30.757 -0.489 25910 1809 1 6 . 1 1 44 44 TRP H H 44 9.284 9.284 8.856 0.428 25910 1810 1 6 . 1 1 45 45 THR N N 45 116.544 116.544 118.700 -2.156 25910 1811 1 6 . 1 1 45 45 THR HA H 45 4.626 4.626 4.831 -0.205 25910 1812 1 6 . 1 1 45 45 THR C C 45 172.518 172.518 172.319 0.199 25910 1813 1 6 . 1 1 45 45 THR CA C 45 60.392 60.392 61.280 -0.888 25910 1814 1 6 . 1 1 45 45 THR CB C 45 72.517 72.517 72.243 0.274 25910 1815 1 6 . 1 1 45 45 THR H H 45 9.192 9.192 9.242 -0.050 25910 1816 1 6 . 1 1 46 46 TYR N N 46 122.420 122.420 121.009 1.411 25910 1817 1 6 . 1 1 46 46 TYR HA H 46 4.375 4.375 5.085 -0.710 25910 1818 1 6 . 1 1 46 46 TYR C C 46 173.077 173.077 174.118 -1.041 25910 1819 1 6 . 1 1 46 46 TYR CA C 46 56.663 56.663 55.184 1.479 25910 1820 1 6 . 1 1 46 46 TYR CB C 46 38.701 38.701 40.852 -2.151 25910 1821 1 6 . 1 1 46 46 TYR H H 46 8.512 8.512 8.043 0.469 25910 1822 1 6 . 1 1 47 47 ASP N N 47 130.329 130.329 123.098 7.231 25910 1823 1 6 . 1 1 47 47 ASP HA H 47 4.520 4.520 4.815 -0.295 25910 1824 1 6 . 1 1 47 47 ASP C C 47 174.266 174.266 176.114 -1.848 25910 1825 1 6 . 1 1 47 47 ASP CA C 47 51.864 51.864 52.956 -1.092 25910 1826 1 6 . 1 1 47 47 ASP CB C 47 42.670 42.670 42.677 -0.007 25910 1827 1 6 . 1 1 47 47 ASP H H 47 7.613 7.613 9.003 -1.390 25910 1828 1 6 . 1 1 48 48 ASP N N 48 126.699 126.699 126.612 0.087 25910 1829 1 6 . 1 1 48 48 ASP HA H 48 4.019 4.019 4.297 -0.278 25910 1830 1 6 . 1 1 48 48 ASP C C 48 177.981 177.981 176.842 1.139 25910 1831 1 6 . 1 1 48 48 ASP CA C 48 56.198 56.198 56.938 -0.739 25910 1832 1 6 . 1 1 48 48 ASP CB C 48 41.614 41.614 41.359 0.255 25910 1833 1 6 . 1 1 48 48 ASP H H 48 8.422 8.422 8.918 -0.496 25910 1834 1 6 . 1 1 49 49 ALA N N 49 121.819 121.819 122.273 -0.454 25910 1835 1 6 . 1 1 49 49 ALA HA H 49 4.021 4.021 4.112 -0.091 25910 1836 1 6 . 1 1 49 49 ALA C C 49 179.522 179.522 179.828 -0.306 25910 1837 1 6 . 1 1 49 49 ALA CA C 49 54.829 54.829 54.704 0.125 25910 1838 1 6 . 1 1 49 49 ALA CB C 49 18.168 18.168 18.411 -0.243 25910 1839 1 6 . 1 1 49 49 ALA H H 49 8.202 8.202 7.825 0.377 25910 1840 1 6 . 1 1 50 50 THR N N 50 105.089 105.089 111.531 -6.442 25910 1841 1 6 . 1 1 50 50 THR HA H 50 4.318 4.318 4.223 0.095 25910 1842 1 6 . 1 1 50 50 THR C C 50 174.943 174.943 174.824 0.119 25910 1843 1 6 . 1 1 50 50 THR CA C 50 60.343 60.343 62.999 -2.656 25910 1844 1 6 . 1 1 50 50 THR CB C 50 69.532 69.532 69.104 0.428 25910 1845 1 6 . 1 1 50 50 THR H H 50 6.890 6.890 8.631 -1.741 25910 1846 1 6 . 1 1 51 51 LYS N N 51 125.512 125.512 117.131 8.381 25910 1847 1 6 . 1 1 51 51 LYS HA H 51 4.079 4.079 3.906 0.173 25910 1848 1 6 . 1 1 51 51 LYS C C 51 174.733 174.733 174.840 -0.107 25910 1849 1 6 . 1 1 51 51 LYS CA C 51 57.119 57.119 57.319 -0.200 25910 1850 1 6 . 1 1 51 51 LYS CB C 51 33.975 33.975 30.349 3.626 25910 1851 1 6 . 1 1 51 51 LYS H H 51 7.764 7.764 7.953 -0.189 25910 1852 1 6 . 1 1 52 52 THR N N 52 112.742 112.742 109.726 3.016 25910 1853 1 6 . 1 1 52 52 THR HA H 52 5.437 5.437 5.569 -0.132 25910 1854 1 6 . 1 1 52 52 THR C C 52 174.733 174.733 173.334 1.399 25910 1855 1 6 . 1 1 52 52 THR CA C 52 62.078 62.078 59.904 2.174 25910 1856 1 6 . 1 1 52 52 THR CB C 52 63.076 63.076 71.850 -8.774 25910 1857 1 6 . 1 1 52 52 THR H H 52 7.261 7.261 8.181 -0.920 25910 1858 1 6 . 1 1 53 53 PHE N N 53 132.937 132.937 122.683 10.254 25910 1859 1 6 . 1 1 53 53 PHE HA H 53 5.641 5.641 5.568 0.073 25910 1860 1 6 . 1 1 53 53 PHE C C 53 174.377 174.377 173.873 0.504 25910 1861 1 6 . 1 1 53 53 PHE CA C 53 56.995 56.995 56.418 0.577 25910 1862 1 6 . 1 1 53 53 PHE CB C 53 42.679 42.679 43.710 -1.031 25910 1863 1 6 . 1 1 53 53 PHE H H 53 10.363 10.363 9.157 1.206 25910 1864 1 6 . 1 1 54 54 THR N N 54 119.069 119.069 122.855 -3.786 25910 1865 1 6 . 1 1 54 54 THR HA H 54 5.140 5.140 5.261 -0.121 25910 1866 1 6 . 1 1 54 54 THR C C 54 172.417 172.417 173.380 -0.963 25910 1867 1 6 . 1 1 54 54 THR CA C 54 61.408 61.408 61.126 0.282 25910 1868 1 6 . 1 1 54 54 THR CB C 54 65.839 65.839 71.403 -5.564 25910 1869 1 6 . 1 1 54 54 THR H H 54 9.011 9.011 9.521 -0.510 25910 1870 1 6 . 1 1 55 55 VAL N N 55 125.268 125.268 126.650 -1.382 25910 1871 1 6 . 1 1 55 55 VAL HA H 55 4.382 4.382 4.421 -0.039 25910 1872 1 6 . 1 1 55 55 VAL CA C 55 57.834 57.834 60.434 -2.600 25910 1873 1 6 . 1 1 55 55 VAL CB C 55 32.223 32.223 31.186 1.037 25910 1874 1 6 . 1 1 55 55 VAL H H 55 8.122 8.122 8.403 -0.281 25910 1875 1 6 . 1 1 56 56 THR N N 56 125.548 125.548 124.703 0.845 25910 1876 1 6 . 1 1 56 56 THR C C 56 173.901 173.901 174.020 -0.119 25910 1877 1 6 . 1 1 56 56 THR CA C 56 61.272 61.272 61.609 -0.337 25910 1878 1 6 . 1 1 56 56 THR H H 56 8.306 8.306 8.945 -0.639 25910 1879 1 7 . 1 1 2 2 GLY N N 2 113.750 113.750 112.141 1.609 25910 1880 1 7 . 1 1 2 2 GLY C C 2 176.605 176.605 171.684 4.921 25910 1881 1 7 . 1 1 2 2 GLY CA C 2 44.589 44.589 45.606 -1.017 25910 1882 1 7 . 1 1 2 2 GLY H H 2 8.454 8.454 8.669 -0.215 25910 1883 1 7 . 1 1 3 3 THR N N 3 118.182 118.182 117.114 1.068 25910 1884 1 7 . 1 1 3 3 THR HA H 3 4.594 4.594 4.635 -0.041 25910 1885 1 7 . 1 1 3 3 THR C C 3 173.943 173.943 173.515 0.428 25910 1886 1 7 . 1 1 3 3 THR CA C 3 62.633 62.633 61.980 0.653 25910 1887 1 7 . 1 1 3 3 THR CB C 3 72.413 72.413 69.604 2.809 25910 1888 1 7 . 1 1 3 3 THR H H 3 8.076 8.076 8.158 -0.082 25910 1889 1 7 . 1 1 4 4 TYR N N 4 128.256 128.256 126.895 1.361 25910 1890 1 7 . 1 1 4 4 TYR HA H 4 5.271 5.271 4.962 0.309 25910 1891 1 7 . 1 1 4 4 TYR C C 4 174.213 174.213 175.768 -1.555 25910 1892 1 7 . 1 1 4 4 TYR CA C 4 56.625 56.625 57.439 -0.814 25910 1893 1 7 . 1 1 4 4 TYR CB C 4 42.657 42.657 41.562 1.095 25910 1894 1 7 . 1 1 4 4 TYR H H 4 9.273 9.273 8.653 0.620 25910 1895 1 7 . 1 1 5 5 LYS N N 5 124.678 124.678 120.972 3.706 25910 1896 1 7 . 1 1 5 5 LYS HA H 5 5.169 5.169 4.860 0.309 25910 1897 1 7 . 1 1 5 5 LYS C C 5 172.616 172.616 174.690 -2.074 25910 1898 1 7 . 1 1 5 5 LYS CA C 5 54.875 54.875 55.313 -0.438 25910 1899 1 7 . 1 1 5 5 LYS CB C 5 28.908 28.908 34.537 -5.629 25910 1900 1 7 . 1 1 5 5 LYS H H 5 9.075 9.075 8.755 0.320 25910 1901 1 7 . 1 1 6 6 LEU N N 6 128.375 128.375 127.600 0.775 25910 1902 1 7 . 1 1 6 6 LEU HA H 6 4.839 4.839 4.699 0.140 25910 1903 1 7 . 1 1 6 6 LEU C C 6 174.425 174.425 174.758 -0.333 25910 1904 1 7 . 1 1 6 6 LEU CA C 6 52.459 52.459 53.486 -1.027 25910 1905 1 7 . 1 1 6 6 LEU H H 6 8.541 8.541 8.840 -0.299 25910 1906 1 7 . 1 1 7 7 ILE N N 7 128.123 128.123 128.554 -0.431 25910 1907 1 7 . 1 1 7 7 ILE HA H 7 4.221 4.221 4.275 -0.054 25910 1908 1 7 . 1 1 7 7 ILE C C 7 174.566 174.566 174.143 0.423 25910 1909 1 7 . 1 1 7 7 ILE CA C 7 60.226 60.226 59.921 0.305 25910 1910 1 7 . 1 1 7 7 ILE CB C 7 37.977 37.977 38.193 -0.216 25910 1911 1 7 . 1 1 7 7 ILE H H 7 9.020 9.020 8.989 0.031 25910 1912 1 7 . 1 1 8 8 LEU N N 8 127.628 127.628 129.651 -2.023 25910 1913 1 7 . 1 1 8 8 LEU HA H 8 4.383 4.383 4.212 0.171 25910 1914 1 7 . 1 1 8 8 LEU C C 8 174.640 174.640 174.496 0.144 25910 1915 1 7 . 1 1 8 8 LEU CA C 8 54.428 54.428 54.838 -0.410 25910 1916 1 7 . 1 1 8 8 LEU CB C 8 42.014 42.014 42.869 -0.855 25910 1917 1 7 . 1 1 8 8 LEU H H 8 8.640 8.640 8.898 -0.258 25910 1918 1 7 . 1 1 9 9 ASN N N 9 128.380 128.380 125.654 2.726 25910 1919 1 7 . 1 1 9 9 ASN HA H 9 5.214 5.214 4.906 0.308 25910 1920 1 7 . 1 1 9 9 ASN C C 9 175.683 175.683 174.438 1.245 25910 1921 1 7 . 1 1 9 9 ASN CA C 9 50.778 50.778 51.407 -0.629 25910 1922 1 7 . 1 1 9 9 ASN CB C 9 37.691 37.691 39.690 -1.998 25910 1923 1 7 . 1 1 9 9 ASN H H 9 8.830 8.830 8.680 0.150 25910 1924 1 7 . 1 1 10 10 GLY N N 10 111.563 111.563 109.419 2.144 25910 1925 1 7 . 1 1 10 10 GLY C C 10 173.311 173.311 174.264 -0.953 25910 1926 1 7 . 1 1 10 10 GLY CA C 10 44.735 44.735 43.989 0.746 25910 1927 1 7 . 1 1 10 10 GLY H H 10 7.831 7.831 8.115 -0.284 25910 1928 1 7 . 1 1 11 11 LYS N N 11 122.942 122.942 119.496 3.446 25910 1929 1 7 . 1 1 11 11 LYS HA H 11 3.990 3.990 4.249 -0.259 25910 1930 1 7 . 1 1 11 11 LYS C C 11 178.822 178.822 176.737 2.085 25910 1931 1 7 . 1 1 11 11 LYS CA C 11 58.885 58.885 58.388 0.497 25910 1932 1 7 . 1 1 11 11 LYS CB C 11 32.330 32.330 32.605 -0.275 25910 1933 1 7 . 1 1 11 11 LYS H H 11 9.419 9.419 8.641 0.778 25910 1934 1 7 . 1 1 12 12 THR N N 12 110.192 110.192 111.365 -1.173 25910 1935 1 7 . 1 1 12 12 THR HA H 12 4.312 4.312 4.279 0.033 25910 1936 1 7 . 1 1 12 12 THR C C 12 173.575 173.575 173.583 -0.008 25910 1937 1 7 . 1 1 12 12 THR CA C 12 61.517 61.517 63.058 -1.541 25910 1938 1 7 . 1 1 12 12 THR CB C 12 69.598 69.598 69.718 -0.120 25910 1939 1 7 . 1 1 12 12 THR H H 12 8.743 8.743 8.201 0.542 25910 1940 1 7 . 1 1 13 13 LEU N N 13 127.300 127.300 118.931 8.369 25910 1941 1 7 . 1 1 13 13 LEU HA H 13 4.401 4.401 4.907 -0.506 25910 1942 1 7 . 1 1 13 13 LEU C C 13 173.148 173.148 174.242 -1.094 25910 1943 1 7 . 1 1 13 13 LEU CA C 13 54.953 54.953 53.177 1.776 25910 1944 1 7 . 1 1 13 13 LEU CB C 13 43.166 43.166 44.679 -1.513 25910 1945 1 7 . 1 1 13 13 LEU H H 13 7.273 7.273 7.417 -0.144 25910 1946 1 7 . 1 1 14 14 LYS N N 14 125.544 125.544 118.682 6.862 25910 1947 1 7 . 1 1 14 14 LYS HA H 14 5.097 5.097 5.022 0.075 25910 1948 1 7 . 1 1 14 14 LYS C C 14 176.255 176.255 175.227 1.028 25910 1949 1 7 . 1 1 14 14 LYS CA C 14 53.661 53.661 54.944 -1.283 25910 1950 1 7 . 1 1 14 14 LYS CB C 14 34.743 34.743 36.569 -1.826 25910 1951 1 7 . 1 1 14 14 LYS H H 14 8.062 8.062 8.280 -0.218 25910 1952 1 7 . 1 1 15 15 GLY N N 15 111.144 111.144 107.680 3.464 25910 1953 1 7 . 1 1 15 15 GLY C C 15 171.151 171.151 171.769 -0.618 25910 1954 1 7 . 1 1 15 15 GLY CA C 15 45.006 45.006 45.801 -0.795 25910 1955 1 7 . 1 1 15 15 GLY H H 15 8.349 8.349 8.337 0.012 25910 1956 1 7 . 1 1 16 16 GLU N N 16 120.581 120.581 121.789 -1.208 25910 1957 1 7 . 1 1 16 16 GLU HA H 16 5.546 5.546 5.472 0.074 25910 1958 1 7 . 1 1 16 16 GLU C C 16 175.034 175.034 175.251 -0.217 25910 1959 1 7 . 1 1 16 16 GLU CA C 16 54.528 54.528 55.230 -0.702 25910 1960 1 7 . 1 1 16 16 GLU CB C 16 33.817 33.817 32.240 1.577 25910 1961 1 7 . 1 1 16 16 GLU H H 16 8.346 8.346 8.585 -0.239 25910 1962 1 7 . 1 1 17 17 THR N N 17 117.658 117.658 117.132 0.526 25910 1963 1 7 . 1 1 17 17 THR HA H 17 4.622 4.622 4.858 -0.236 25910 1964 1 7 . 1 1 17 17 THR C C 17 171.834 171.834 172.760 -0.926 25910 1965 1 7 . 1 1 17 17 THR CA C 17 60.610 60.610 59.860 0.750 25910 1966 1 7 . 1 1 17 17 THR CB C 17 69.030 69.030 71.030 -2.000 25910 1967 1 7 . 1 1 17 17 THR H H 17 8.636 8.636 8.337 0.299 25910 1968 1 7 . 1 1 18 18 THR N N 18 113.707 113.707 114.062 -0.355 25910 1969 1 7 . 1 1 18 18 THR HA H 18 5.794 5.794 5.324 0.470 25910 1970 1 7 . 1 1 18 18 THR C C 18 173.871 173.871 173.895 -0.024 25910 1971 1 7 . 1 1 18 18 THR CA C 18 59.750 59.750 60.829 -1.079 25910 1972 1 7 . 1 1 18 18 THR CB C 18 73.077 73.077 71.189 1.888 25910 1973 1 7 . 1 1 18 18 THR H H 18 7.970 7.970 8.533 -0.563 25910 1974 1 7 . 1 1 19 19 THR N N 19 116.670 116.670 119.441 -2.771 25910 1975 1 7 . 1 1 19 19 THR HA H 19 4.606 4.606 4.693 -0.087 25910 1976 1 7 . 1 1 19 19 THR C C 19 171.009 171.009 172.934 -1.925 25910 1977 1 7 . 1 1 19 19 THR CA C 19 62.179 62.179 61.618 0.561 25910 1978 1 7 . 1 1 19 19 THR CB C 19 70.463 70.463 71.262 -0.799 25910 1979 1 7 . 1 1 19 19 THR H H 19 9.018 9.018 8.519 0.499 25910 1980 1 7 . 1 1 20 20 GLU N N 20 126.491 126.491 124.363 2.128 25910 1981 1 7 . 1 1 20 20 GLU HA H 20 5.528 5.528 5.179 0.349 25910 1982 1 7 . 1 1 20 20 GLU C C 20 176.205 176.205 175.275 0.930 25910 1983 1 7 . 1 1 20 20 GLU CA C 20 54.574 54.574 55.273 -0.699 25910 1984 1 7 . 1 1 20 20 GLU CB C 20 30.757 30.757 31.578 -0.821 25910 1985 1 7 . 1 1 20 20 GLU H H 20 7.922 7.922 8.553 -0.630 25910 1986 1 7 . 1 1 21 21 ALA N N 21 126.835 126.835 123.624 3.211 25910 1987 1 7 . 1 1 21 21 ALA HA H 21 4.740 4.740 4.663 0.077 25910 1988 1 7 . 1 1 21 21 ALA C C 21 177.223 177.223 176.335 0.888 25910 1989 1 7 . 1 1 21 21 ALA CA C 21 50.945 50.945 51.633 -0.688 25910 1990 1 7 . 1 1 21 21 ALA CB C 21 23.578 23.578 21.890 1.688 25910 1991 1 7 . 1 1 21 21 ALA H H 21 9.183 9.183 8.850 0.333 25910 1992 1 7 . 1 1 22 22 VAL N N 22 117.316 117.316 118.643 -1.327 25910 1993 1 7 . 1 1 22 22 VAL HA H 22 4.137 4.137 3.962 0.175 25910 1994 1 7 . 1 1 22 22 VAL C C 22 174.432 174.432 175.012 -0.580 25910 1995 1 7 . 1 1 22 22 VAL CA C 22 63.321 63.321 64.830 -1.509 25910 1996 1 7 . 1 1 22 22 VAL CB C 22 32.120 32.120 32.273 -0.153 25910 1997 1 7 . 1 1 22 22 VAL H H 22 8.519 8.519 8.676 -0.157 25910 1998 1 7 . 1 1 23 23 ASP N N 23 116.395 116.395 114.375 2.020 25910 1999 1 7 . 1 1 23 23 ASP HA H 23 4.580 4.580 4.979 -0.399 25910 2000 1 7 . 1 1 23 23 ASP C C 23 174.391 174.391 176.020 -1.629 25910 2001 1 7 . 1 1 23 23 ASP CA C 23 52.345 52.345 53.331 -0.986 25910 2002 1 7 . 1 1 23 23 ASP CB C 23 42.149 42.149 42.956 -0.807 25910 2003 1 7 . 1 1 23 23 ASP H H 23 7.191 7.191 7.798 -0.607 25910 2004 1 7 . 1 1 24 24 ALA N N 24 123.019 123.019 123.433 -0.414 25910 2005 1 7 . 1 1 24 24 ALA HA H 24 3.349 3.349 3.418 -0.069 25910 2006 1 7 . 1 1 24 24 ALA C C 24 179.001 179.001 178.427 0.574 25910 2007 1 7 . 1 1 24 24 ALA CA C 24 54.346 54.346 55.669 -1.323 25910 2008 1 7 . 1 1 24 24 ALA CB C 24 17.327 17.327 18.227 -0.900 25910 2009 1 7 . 1 1 24 24 ALA H H 24 8.315 8.315 8.569 -0.254 25910 2010 1 7 . 1 1 25 25 ALA N N 25 122.203 122.203 120.099 2.104 25910 2011 1 7 . 1 1 25 25 ALA HA H 25 3.891 3.891 3.997 -0.106 25910 2012 1 7 . 1 1 25 25 ALA C C 25 180.736 180.736 179.720 1.016 25910 2013 1 7 . 1 1 25 25 ALA CA C 25 54.646 54.646 54.963 -0.317 25910 2014 1 7 . 1 1 25 25 ALA CB C 25 17.623 17.623 18.006 -0.383 25910 2015 1 7 . 1 1 25 25 ALA H H 25 7.982 7.982 8.445 -0.463 25910 2016 1 7 . 1 1 26 26 THR N N 26 118.231 118.231 115.922 2.309 25910 2017 1 7 . 1 1 26 26 THR HA H 26 3.973 3.973 3.911 0.062 25910 2018 1 7 . 1 1 26 26 THR C C 26 175.969 175.969 176.102 -0.133 25910 2019 1 7 . 1 1 26 26 THR CA C 26 66.690 66.690 66.716 -0.026 25910 2020 1 7 . 1 1 26 26 THR CB C 26 66.977 66.977 68.392 -1.415 25910 2021 1 7 . 1 1 26 26 THR H H 26 8.258 8.258 7.568 0.690 25910 2022 1 7 . 1 1 27 27 ALA N N 27 125.522 125.522 124.692 0.830 25910 2023 1 7 . 1 1 27 27 ALA HA H 27 3.008 3.008 3.882 -0.874 25910 2024 1 7 . 1 1 27 27 ALA C C 27 176.928 176.928 178.716 -1.788 25910 2025 1 7 . 1 1 27 27 ALA CA C 27 54.544 54.544 55.450 -0.906 25910 2026 1 7 . 1 1 27 27 ALA CB C 27 17.299 17.299 17.900 -0.601 25910 2027 1 7 . 1 1 27 27 ALA H H 27 6.992 6.992 7.558 -0.566 25910 2028 1 7 . 1 1 28 28 GLU N N 28 118.584 118.584 118.373 0.211 25910 2029 1 7 . 1 1 28 28 GLU HA H 28 2.575 2.575 3.602 -1.027 25910 2030 1 7 . 1 1 28 28 GLU C C 28 177.127 177.127 178.533 -1.406 25910 2031 1 7 . 1 1 28 28 GLU CA C 28 59.522 59.522 59.303 0.219 25910 2032 1 7 . 1 1 28 28 GLU CB C 28 32.612 32.612 29.288 3.324 25910 2033 1 7 . 1 1 28 28 GLU H H 28 8.284 8.284 8.364 -0.080 25910 2034 1 7 . 1 1 29 29 LYS N N 29 118.504 118.504 118.814 -0.310 25910 2035 1 7 . 1 1 29 29 LYS HA H 29 3.654 3.654 3.864 -0.210 25910 2036 1 7 . 1 1 29 29 LYS C C 29 179.844 179.844 179.211 0.633 25910 2037 1 7 . 1 1 29 29 LYS CA C 29 59.589 59.589 58.894 0.695 25910 2038 1 7 . 1 1 29 29 LYS CB C 29 32.200 32.200 32.498 -0.298 25910 2039 1 7 . 1 1 29 29 LYS H H 29 6.861 6.861 7.419 -0.558 25910 2040 1 7 . 1 1 30 30 VAL N N 30 122.501 122.501 119.734 2.767 25910 2041 1 7 . 1 1 30 30 VAL HA H 30 3.550 3.550 3.560 -0.010 25910 2042 1 7 . 1 1 30 30 VAL C C 30 179.643 179.643 178.519 1.124 25910 2043 1 7 . 1 1 30 30 VAL CA C 30 65.870 65.870 66.326 -0.456 25910 2044 1 7 . 1 1 30 30 VAL CB C 30 31.729 31.729 31.798 -0.069 25910 2045 1 7 . 1 1 30 30 VAL H H 30 7.203 7.203 8.043 -0.840 25910 2046 1 7 . 1 1 31 31 PHE N N 31 122.601 122.601 117.762 4.839 25910 2047 1 7 . 1 1 31 31 PHE C C 31 178.161 178.161 177.530 0.631 25910 2048 1 7 . 1 1 31 31 PHE CA C 31 55.903 55.903 60.918 -5.015 25910 2049 1 7 . 1 1 31 31 PHE H H 31 8.398 8.398 8.681 -0.283 25910 2050 1 7 . 1 1 32 32 LYS N N 32 124.739 124.739 120.159 4.580 25910 2051 1 7 . 1 1 32 32 LYS HA H 32 4.085 4.085 4.000 0.085 25910 2052 1 7 . 1 1 32 32 LYS C C 32 179.432 179.432 178.515 0.917 25910 2053 1 7 . 1 1 32 32 LYS CA C 32 59.714 59.714 60.078 -0.364 25910 2054 1 7 . 1 1 32 32 LYS CB C 32 31.660 31.660 31.957 -0.297 25910 2055 1 7 . 1 1 32 32 LYS H H 32 9.078 9.078 7.666 1.412 25910 2056 1 7 . 1 1 33 33 GLN N N 33 121.561 121.561 117.962 3.599 25910 2057 1 7 . 1 1 33 33 GLN HA H 33 3.986 3.986 3.995 -0.009 25910 2058 1 7 . 1 1 33 33 GLN C C 33 176.867 176.867 178.362 -1.495 25910 2059 1 7 . 1 1 33 33 GLN CA C 33 58.531 58.531 58.937 -0.406 25910 2060 1 7 . 1 1 33 33 GLN CB C 33 27.914 27.914 28.638 -0.724 25910 2061 1 7 . 1 1 33 33 GLN H H 33 7.325 7.325 7.783 -0.458 25910 2062 1 7 . 1 1 34 34 TYR N N 34 122.729 122.729 120.377 2.352 25910 2063 1 7 . 1 1 34 34 TYR HA H 34 4.206 4.206 4.232 -0.026 25910 2064 1 7 . 1 1 34 34 TYR C C 34 178.875 178.875 177.129 1.746 25910 2065 1 7 . 1 1 34 34 TYR CA C 34 61.673 61.673 60.456 1.217 25910 2066 1 7 . 1 1 34 34 TYR CB C 34 38.779 38.779 38.294 0.485 25910 2067 1 7 . 1 1 34 34 TYR H H 34 8.165 8.165 8.154 0.011 25910 2068 1 7 . 1 1 35 35 ALA N N 35 124.565 124.565 121.017 3.548 25910 2069 1 7 . 1 1 35 35 ALA HA H 35 3.754 3.754 3.535 0.219 25910 2070 1 7 . 1 1 35 35 ALA C C 35 174.251 174.251 179.618 -5.367 25910 2071 1 7 . 1 1 35 35 ALA CA C 35 56.260 56.260 54.980 1.280 25910 2072 1 7 . 1 1 35 35 ALA CB C 35 17.622 17.622 18.288 -0.666 25910 2073 1 7 . 1 1 35 35 ALA H H 35 9.126 9.126 8.667 0.459 25910 2074 1 7 . 1 1 36 36 ASN N N 36 119.406 119.406 117.303 2.103 25910 2075 1 7 . 1 1 36 36 ASN HA H 36 4.370 4.370 4.511 -0.141 25910 2076 1 7 . 1 1 36 36 ASN C C 36 179.225 179.225 178.039 1.186 25910 2077 1 7 . 1 1 36 36 ASN CA C 36 56.845 56.845 55.316 1.529 25910 2078 1 7 . 1 1 36 36 ASN CB C 36 38.724 38.724 38.718 0.006 25910 2079 1 7 . 1 1 36 36 ASN H H 36 8.156 8.156 8.175 -0.019 25910 2080 1 7 . 1 1 37 37 ASP N N 37 123.289 123.289 119.440 3.849 25910 2081 1 7 . 1 1 37 37 ASP HA H 37 4.291 4.291 4.549 -0.258 25910 2082 1 7 . 1 1 37 37 ASP C C 37 176.917 176.917 177.061 -0.144 25910 2083 1 7 . 1 1 37 37 ASP CA C 37 56.791 56.791 55.713 1.078 25910 2084 1 7 . 1 1 37 37 ASP CB C 37 41.927 41.927 41.010 0.917 25910 2085 1 7 . 1 1 37 37 ASP H H 37 8.854 8.854 8.256 0.598 25910 2086 1 7 . 1 1 38 38 ASN N N 38 117.154 117.154 116.108 1.046 25910 2087 1 7 . 1 1 38 38 ASN HA H 38 4.528 4.528 4.809 -0.281 25910 2088 1 7 . 1 1 38 38 ASN C C 38 173.809 173.809 175.348 -1.539 25910 2089 1 7 . 1 1 38 38 ASN CA C 38 53.604 53.604 51.673 1.931 25910 2090 1 7 . 1 1 38 38 ASN H H 38 7.302 7.302 7.389 -0.087 25910 2091 1 7 . 1 1 39 39 GLY N N 39 109.931 109.931 108.309 1.622 25910 2092 1 7 . 1 1 39 39 GLY C C 39 177.482 177.482 174.052 3.430 25910 2093 1 7 . 1 1 39 39 GLY CA C 39 46.647 46.647 45.453 1.194 25910 2094 1 7 . 1 1 39 39 GLY H H 39 7.716 7.716 7.737 -0.021 25910 2095 1 7 . 1 1 40 40 VAL N N 40 122.793 122.793 119.315 3.478 25910 2096 1 7 . 1 1 40 40 VAL HA H 40 4.099 4.099 4.581 -0.482 25910 2097 1 7 . 1 1 40 40 VAL C C 40 173.752 173.752 173.885 -0.133 25910 2098 1 7 . 1 1 40 40 VAL CA C 40 61.738 61.738 60.505 1.232 25910 2099 1 7 . 1 1 40 40 VAL CB C 40 32.918 32.918 34.950 -2.032 25910 2100 1 7 . 1 1 40 40 VAL H H 40 8.027 8.027 7.889 0.138 25910 2101 1 7 . 1 1 41 41 ASP N N 41 129.935 129.935 125.836 4.099 25910 2102 1 7 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.814 0.011 25910 2103 1 7 . 1 1 41 41 ASP C C 41 174.270 174.270 174.696 -0.426 25910 2104 1 7 . 1 1 41 41 ASP CA C 41 52.473 52.473 53.750 -1.277 25910 2105 1 7 . 1 1 41 41 ASP CB C 41 42.513 42.513 43.404 -0.891 25910 2106 1 7 . 1 1 41 41 ASP H H 41 8.588 8.588 8.650 -0.062 25910 2107 1 7 . 1 1 42 42 GLY N N 42 109.126 109.126 109.270 -0.144 25910 2108 1 7 . 1 1 42 42 GLY C C 42 171.778 171.778 173.054 -1.276 25910 2109 1 7 . 1 1 42 42 GLY CA C 42 45.243 45.243 43.694 1.549 25910 2110 1 7 . 1 1 42 42 GLY H H 42 7.672 7.672 7.783 -0.111 25910 2111 1 7 . 1 1 43 43 GLU N N 43 122.448 122.448 121.116 1.332 25910 2112 1 7 . 1 1 43 43 GLU HA H 43 4.628 4.628 4.399 0.229 25910 2113 1 7 . 1 1 43 43 GLU C C 43 176.874 176.874 176.671 0.203 25910 2114 1 7 . 1 1 43 43 GLU CA C 43 55.350 55.350 55.515 -0.165 25910 2115 1 7 . 1 1 43 43 GLU CB C 43 31.207 31.207 30.504 0.703 25910 2116 1 7 . 1 1 43 43 GLU H H 43 8.089 8.089 8.234 -0.145 25910 2117 1 7 . 1 1 44 44 TRP N N 44 130.232 130.232 128.433 1.799 25910 2118 1 7 . 1 1 44 44 TRP HA H 44 5.313 5.313 5.121 0.192 25910 2119 1 7 . 1 1 44 44 TRP C C 44 176.867 176.867 176.891 -0.024 25910 2120 1 7 . 1 1 44 44 TRP CA C 44 57.688 57.688 57.133 0.555 25910 2121 1 7 . 1 1 44 44 TRP CB C 44 30.268 30.268 28.783 1.485 25910 2122 1 7 . 1 1 44 44 TRP H H 44 9.284 9.284 8.891 0.393 25910 2123 1 7 . 1 1 45 45 THR N N 45 116.544 116.544 119.712 -3.168 25910 2124 1 7 . 1 1 45 45 THR HA H 45 4.626 4.626 4.923 -0.297 25910 2125 1 7 . 1 1 45 45 THR C C 45 172.518 172.518 173.060 -0.542 25910 2126 1 7 . 1 1 45 45 THR CA C 45 60.392 60.392 61.346 -0.954 25910 2127 1 7 . 1 1 45 45 THR CB C 45 72.517 72.517 71.529 0.988 25910 2128 1 7 . 1 1 45 45 THR H H 45 9.192 9.192 9.097 0.095 25910 2129 1 7 . 1 1 46 46 TYR N N 46 122.420 122.420 122.818 -0.398 25910 2130 1 7 . 1 1 46 46 TYR HA H 46 4.375 4.375 5.175 -0.800 25910 2131 1 7 . 1 1 46 46 TYR C C 46 173.077 173.077 173.812 -0.735 25910 2132 1 7 . 1 1 46 46 TYR CA C 46 56.663 56.663 54.609 2.054 25910 2133 1 7 . 1 1 46 46 TYR CB C 46 38.701 38.701 39.982 -1.281 25910 2134 1 7 . 1 1 46 46 TYR H H 46 8.512 8.512 8.342 0.170 25910 2135 1 7 . 1 1 47 47 ASP N N 47 130.329 130.329 123.523 6.806 25910 2136 1 7 . 1 1 47 47 ASP HA H 47 4.520 4.520 4.793 -0.273 25910 2137 1 7 . 1 1 47 47 ASP C C 47 174.266 174.266 176.051 -1.785 25910 2138 1 7 . 1 1 47 47 ASP CA C 47 51.864 51.864 52.818 -0.954 25910 2139 1 7 . 1 1 47 47 ASP CB C 47 42.670 42.670 42.735 -0.065 25910 2140 1 7 . 1 1 47 47 ASP H H 47 7.613 7.613 8.394 -0.781 25910 2141 1 7 . 1 1 48 48 ASP N N 48 126.699 126.699 125.919 0.780 25910 2142 1 7 . 1 1 48 48 ASP HA H 48 4.019 4.019 4.483 -0.464 25910 2143 1 7 . 1 1 48 48 ASP C C 48 177.981 177.981 176.989 0.992 25910 2144 1 7 . 1 1 48 48 ASP CA C 48 56.198 56.198 56.715 -0.517 25910 2145 1 7 . 1 1 48 48 ASP CB C 48 41.614 41.614 40.794 0.820 25910 2146 1 7 . 1 1 48 48 ASP H H 48 8.422 8.422 8.852 -0.430 25910 2147 1 7 . 1 1 49 49 ALA N N 49 121.819 121.819 121.169 0.650 25910 2148 1 7 . 1 1 49 49 ALA HA H 49 4.021 4.021 4.229 -0.208 25910 2149 1 7 . 1 1 49 49 ALA C C 49 179.522 179.522 179.146 0.376 25910 2150 1 7 . 1 1 49 49 ALA CA C 49 54.829 54.829 54.279 0.550 25910 2151 1 7 . 1 1 49 49 ALA CB C 49 18.168 18.168 18.605 -0.437 25910 2152 1 7 . 1 1 49 49 ALA H H 49 8.202 8.202 8.098 0.104 25910 2153 1 7 . 1 1 50 50 THR N N 50 105.089 105.089 110.760 -5.671 25910 2154 1 7 . 1 1 50 50 THR HA H 50 4.318 4.318 4.484 -0.166 25910 2155 1 7 . 1 1 50 50 THR C C 50 174.943 174.943 174.436 0.507 25910 2156 1 7 . 1 1 50 50 THR CA C 50 60.343 60.343 62.459 -2.115 25910 2157 1 7 . 1 1 50 50 THR CB C 50 69.532 69.532 69.940 -0.408 25910 2158 1 7 . 1 1 50 50 THR H H 50 6.890 6.890 8.396 -1.506 25910 2159 1 7 . 1 1 51 51 LYS N N 51 125.512 125.512 118.553 6.959 25910 2160 1 7 . 1 1 51 51 LYS HA H 51 4.079 4.079 3.931 0.148 25910 2161 1 7 . 1 1 51 51 LYS C C 51 174.733 174.733 175.002 -0.269 25910 2162 1 7 . 1 1 51 51 LYS CA C 51 57.119 57.119 57.645 -0.526 25910 2163 1 7 . 1 1 51 51 LYS CB C 51 33.975 33.975 30.657 3.318 25910 2164 1 7 . 1 1 51 51 LYS H H 51 7.764 7.764 8.070 -0.306 25910 2165 1 7 . 1 1 52 52 THR N N 52 112.742 112.742 109.721 3.021 25910 2166 1 7 . 1 1 52 52 THR HA H 52 5.437 5.437 5.183 0.254 25910 2167 1 7 . 1 1 52 52 THR C C 52 174.733 174.733 173.615 1.118 25910 2168 1 7 . 1 1 52 52 THR CA C 52 62.078 62.078 60.760 1.318 25910 2169 1 7 . 1 1 52 52 THR CB C 52 63.076 63.076 70.773 -7.697 25910 2170 1 7 . 1 1 52 52 THR H H 52 7.261 7.261 7.600 -0.339 25910 2171 1 7 . 1 1 53 53 PHE N N 53 132.937 132.937 123.776 9.161 25910 2172 1 7 . 1 1 53 53 PHE HA H 53 5.641 5.641 5.262 0.379 25910 2173 1 7 . 1 1 53 53 PHE C C 53 174.377 174.377 173.911 0.466 25910 2174 1 7 . 1 1 53 53 PHE CA C 53 56.995 56.995 56.155 0.840 25910 2175 1 7 . 1 1 53 53 PHE CB C 53 42.679 42.679 42.009 0.670 25910 2176 1 7 . 1 1 53 53 PHE H H 53 10.363 10.363 9.305 1.058 25910 2177 1 7 . 1 1 54 54 THR N N 54 119.069 119.069 123.830 -4.761 25910 2178 1 7 . 1 1 54 54 THR HA H 54 5.140 5.140 5.027 0.113 25910 2179 1 7 . 1 1 54 54 THR C C 54 172.417 172.417 173.493 -1.076 25910 2180 1 7 . 1 1 54 54 THR CA C 54 61.408 61.408 61.803 -0.395 25910 2181 1 7 . 1 1 54 54 THR CB C 54 65.839 65.839 70.222 -4.383 25910 2182 1 7 . 1 1 54 54 THR H H 54 9.011 9.011 9.162 -0.151 25910 2183 1 7 . 1 1 55 55 VAL N N 55 125.268 125.268 127.902 -2.634 25910 2184 1 7 . 1 1 55 55 VAL HA H 55 4.382 4.382 4.275 0.107 25910 2185 1 7 . 1 1 55 55 VAL CA C 55 57.834 57.834 60.457 -2.623 25910 2186 1 7 . 1 1 55 55 VAL CB C 55 32.223 32.223 30.672 1.551 25910 2187 1 7 . 1 1 55 55 VAL H H 55 8.122 8.122 8.570 -0.448 25910 2188 1 7 . 1 1 56 56 THR N N 56 125.548 125.548 124.639 0.909 25910 2189 1 7 . 1 1 56 56 THR C C 56 173.901 173.901 173.908 -0.007 25910 2190 1 7 . 1 1 56 56 THR CA C 56 61.272 61.272 61.883 -0.611 25910 2191 1 7 . 1 1 56 56 THR H H 56 8.306 8.306 8.220 0.086 25910 2192 1 8 . 1 1 2 2 GLY N N 2 113.750 113.750 111.571 2.179 25910 2193 1 8 . 1 1 2 2 GLY C C 2 176.605 176.605 171.884 4.721 25910 2194 1 8 . 1 1 2 2 GLY CA C 2 44.589 44.589 45.521 -0.932 25910 2195 1 8 . 1 1 2 2 GLY H H 2 8.454 8.454 8.764 -0.310 25910 2196 1 8 . 1 1 3 3 THR N N 3 118.182 118.182 116.682 1.500 25910 2197 1 8 . 1 1 3 3 THR HA H 3 4.594 4.594 4.543 0.051 25910 2198 1 8 . 1 1 3 3 THR C C 3 173.943 173.943 173.677 0.266 25910 2199 1 8 . 1 1 3 3 THR CA C 3 62.633 62.633 62.613 0.020 25910 2200 1 8 . 1 1 3 3 THR CB C 3 72.413 72.413 69.097 3.316 25910 2201 1 8 . 1 1 3 3 THR H H 3 8.076 8.076 8.178 -0.102 25910 2202 1 8 . 1 1 4 4 TYR N N 4 128.256 128.256 127.200 1.056 25910 2203 1 8 . 1 1 4 4 TYR HA H 4 5.271 5.271 4.734 0.537 25910 2204 1 8 . 1 1 4 4 TYR C C 4 174.213 174.213 175.214 -1.001 25910 2205 1 8 . 1 1 4 4 TYR CA C 4 56.625 56.625 57.690 -1.065 25910 2206 1 8 . 1 1 4 4 TYR CB C 4 42.657 42.657 40.704 1.953 25910 2207 1 8 . 1 1 4 4 TYR H H 4 9.273 9.273 9.181 0.092 25910 2208 1 8 . 1 1 5 5 LYS N N 5 124.678 124.678 122.729 1.949 25910 2209 1 8 . 1 1 5 5 LYS HA H 5 5.169 5.169 5.040 0.129 25910 2210 1 8 . 1 1 5 5 LYS C C 5 172.616 172.616 174.426 -1.810 25910 2211 1 8 . 1 1 5 5 LYS CA C 5 54.875 54.875 55.025 -0.150 25910 2212 1 8 . 1 1 5 5 LYS CB C 5 28.908 28.908 34.241 -5.333 25910 2213 1 8 . 1 1 5 5 LYS H H 5 9.075 9.075 8.765 0.310 25910 2214 1 8 . 1 1 6 6 LEU N N 6 128.375 128.375 127.147 1.228 25910 2215 1 8 . 1 1 6 6 LEU HA H 6 4.839 4.839 4.944 -0.105 25910 2216 1 8 . 1 1 6 6 LEU C C 6 174.425 174.425 174.889 -0.464 25910 2217 1 8 . 1 1 6 6 LEU CA C 6 52.459 52.459 53.018 -0.559 25910 2218 1 8 . 1 1 6 6 LEU H H 6 8.541 8.541 8.381 0.160 25910 2219 1 8 . 1 1 7 7 ILE N N 7 128.123 128.123 128.196 -0.073 25910 2220 1 8 . 1 1 7 7 ILE HA H 7 4.221 4.221 4.701 -0.480 25910 2221 1 8 . 1 1 7 7 ILE C C 7 174.566 174.566 174.451 0.115 25910 2222 1 8 . 1 1 7 7 ILE CA C 7 60.226 60.226 59.622 0.604 25910 2223 1 8 . 1 1 7 7 ILE CB C 7 37.977 37.977 40.274 -2.297 25910 2224 1 8 . 1 1 7 7 ILE H H 7 9.020 9.020 9.164 -0.144 25910 2225 1 8 . 1 1 8 8 LEU N N 8 127.628 127.628 126.675 0.953 25910 2226 1 8 . 1 1 8 8 LEU HA H 8 4.383 4.383 4.405 -0.022 25910 2227 1 8 . 1 1 8 8 LEU C C 8 174.640 174.640 175.138 -0.498 25910 2228 1 8 . 1 1 8 8 LEU CA C 8 54.428 54.428 54.154 0.274 25910 2229 1 8 . 1 1 8 8 LEU CB C 8 42.014 42.014 42.968 -0.954 25910 2230 1 8 . 1 1 8 8 LEU H H 8 8.640 8.640 8.737 -0.097 25910 2231 1 8 . 1 1 9 9 ASN N N 9 128.380 128.380 123.124 5.256 25910 2232 1 8 . 1 1 9 9 ASN HA H 9 5.214 5.214 4.882 0.332 25910 2233 1 8 . 1 1 9 9 ASN C C 9 175.683 175.683 174.141 1.542 25910 2234 1 8 . 1 1 9 9 ASN CA C 9 50.778 50.778 52.424 -1.646 25910 2235 1 8 . 1 1 9 9 ASN CB C 9 37.691 37.691 40.536 -2.845 25910 2236 1 8 . 1 1 9 9 ASN H H 9 8.830 8.830 8.455 0.375 25910 2237 1 8 . 1 1 10 10 GLY N N 10 111.563 111.563 110.461 1.102 25910 2238 1 8 . 1 1 10 10 GLY C C 10 173.311 173.311 174.322 -1.011 25910 2239 1 8 . 1 1 10 10 GLY CA C 10 44.735 44.735 43.650 1.085 25910 2240 1 8 . 1 1 10 10 GLY H H 10 7.831 7.831 8.101 -0.270 25910 2241 1 8 . 1 1 11 11 LYS N N 11 122.942 122.942 120.662 2.280 25910 2242 1 8 . 1 1 11 11 LYS HA H 11 3.990 3.990 4.158 -0.168 25910 2243 1 8 . 1 1 11 11 LYS C C 11 178.822 178.822 176.094 2.728 25910 2244 1 8 . 1 1 11 11 LYS CA C 11 58.885 58.885 58.044 0.841 25910 2245 1 8 . 1 1 11 11 LYS CB C 11 32.330 32.330 32.200 0.130 25910 2246 1 8 . 1 1 11 11 LYS H H 11 9.419 9.419 8.612 0.807 25910 2247 1 8 . 1 1 12 12 THR N N 12 110.192 110.192 112.177 -1.985 25910 2248 1 8 . 1 1 12 12 THR HA H 12 4.312 4.312 4.316 -0.004 25910 2249 1 8 . 1 1 12 12 THR C C 12 173.575 173.575 173.244 0.331 25910 2250 1 8 . 1 1 12 12 THR CA C 12 61.517 61.517 62.596 -1.079 25910 2251 1 8 . 1 1 12 12 THR CB C 12 69.598 69.598 69.580 0.018 25910 2252 1 8 . 1 1 12 12 THR H H 12 8.743 8.743 7.993 0.750 25910 2253 1 8 . 1 1 13 13 LEU N N 13 127.300 127.300 118.796 8.504 25910 2254 1 8 . 1 1 13 13 LEU HA H 13 4.401 4.401 4.938 -0.537 25910 2255 1 8 . 1 1 13 13 LEU C C 13 173.148 173.148 174.368 -1.220 25910 2256 1 8 . 1 1 13 13 LEU CA C 13 54.953 54.953 53.085 1.868 25910 2257 1 8 . 1 1 13 13 LEU CB C 13 43.166 43.166 44.733 -1.567 25910 2258 1 8 . 1 1 13 13 LEU H H 13 7.273 7.273 7.610 -0.337 25910 2259 1 8 . 1 1 14 14 LYS N N 14 125.544 125.544 118.870 6.674 25910 2260 1 8 . 1 1 14 14 LYS HA H 14 5.097 5.097 5.175 -0.078 25910 2261 1 8 . 1 1 14 14 LYS C C 14 176.255 176.255 175.723 0.532 25910 2262 1 8 . 1 1 14 14 LYS CA C 14 53.661 53.661 54.684 -1.024 25910 2263 1 8 . 1 1 14 14 LYS CB C 14 34.743 34.743 36.102 -1.359 25910 2264 1 8 . 1 1 14 14 LYS H H 14 8.062 8.062 8.196 -0.134 25910 2265 1 8 . 1 1 15 15 GLY N N 15 111.144 111.144 107.194 3.950 25910 2266 1 8 . 1 1 15 15 GLY C C 15 171.151 171.151 172.285 -1.134 25910 2267 1 8 . 1 1 15 15 GLY CA C 15 45.006 45.006 45.391 -0.384 25910 2268 1 8 . 1 1 15 15 GLY H H 15 8.349 8.349 8.064 0.285 25910 2269 1 8 . 1 1 16 16 GLU N N 16 120.581 120.581 121.892 -1.311 25910 2270 1 8 . 1 1 16 16 GLU HA H 16 5.546 5.546 5.077 0.469 25910 2271 1 8 . 1 1 16 16 GLU C C 16 175.034 175.034 175.157 -0.123 25910 2272 1 8 . 1 1 16 16 GLU CA C 16 54.528 54.528 55.551 -1.023 25910 2273 1 8 . 1 1 16 16 GLU CB C 16 33.817 33.817 33.107 0.710 25910 2274 1 8 . 1 1 16 16 GLU H H 16 8.346 8.346 8.547 -0.201 25910 2275 1 8 . 1 1 17 17 THR N N 17 117.658 117.658 117.764 -0.106 25910 2276 1 8 . 1 1 17 17 THR HA H 17 4.622 4.622 4.877 -0.255 25910 2277 1 8 . 1 1 17 17 THR C C 17 171.834 171.834 172.993 -1.159 25910 2278 1 8 . 1 1 17 17 THR CA C 17 60.610 60.610 60.431 0.179 25910 2279 1 8 . 1 1 17 17 THR CB C 17 69.030 69.030 70.977 -1.947 25910 2280 1 8 . 1 1 17 17 THR H H 17 8.636 8.636 8.953 -0.317 25910 2281 1 8 . 1 1 18 18 THR N N 18 113.707 113.707 113.955 -0.248 25910 2282 1 8 . 1 1 18 18 THR HA H 18 5.794 5.794 5.543 0.251 25910 2283 1 8 . 1 1 18 18 THR C C 18 173.871 173.871 173.844 0.027 25910 2284 1 8 . 1 1 18 18 THR CA C 18 59.750 59.750 60.674 -0.924 25910 2285 1 8 . 1 1 18 18 THR CB C 18 73.077 73.077 71.573 1.504 25910 2286 1 8 . 1 1 18 18 THR H H 18 7.970 7.970 8.501 -0.531 25910 2287 1 8 . 1 1 19 19 THR N N 19 116.670 116.670 119.529 -2.859 25910 2288 1 8 . 1 1 19 19 THR HA H 19 4.606 4.606 4.760 -0.154 25910 2289 1 8 . 1 1 19 19 THR C C 19 171.009 171.009 172.784 -1.775 25910 2290 1 8 . 1 1 19 19 THR CA C 19 62.179 62.179 61.754 0.425 25910 2291 1 8 . 1 1 19 19 THR CB C 19 70.463 70.463 71.475 -1.012 25910 2292 1 8 . 1 1 19 19 THR H H 19 9.018 9.018 9.014 0.004 25910 2293 1 8 . 1 1 20 20 GLU N N 20 126.491 126.491 124.167 2.324 25910 2294 1 8 . 1 1 20 20 GLU HA H 20 5.528 5.528 5.444 0.084 25910 2295 1 8 . 1 1 20 20 GLU C C 20 176.205 176.205 175.556 0.649 25910 2296 1 8 . 1 1 20 20 GLU CA C 20 54.574 54.574 55.057 -0.483 25910 2297 1 8 . 1 1 20 20 GLU CB C 20 30.757 30.757 31.432 -0.675 25910 2298 1 8 . 1 1 20 20 GLU H H 20 7.922 7.922 8.590 -0.668 25910 2299 1 8 . 1 1 21 21 ALA N N 21 126.835 126.835 126.378 0.457 25910 2300 1 8 . 1 1 21 21 ALA HA H 21 4.740 4.740 4.689 0.051 25910 2301 1 8 . 1 1 21 21 ALA C C 21 177.223 177.223 176.105 1.118 25910 2302 1 8 . 1 1 21 21 ALA CA C 21 50.945 50.945 51.690 -0.745 25910 2303 1 8 . 1 1 21 21 ALA CB C 21 23.578 23.578 22.011 1.567 25910 2304 1 8 . 1 1 21 21 ALA H H 21 9.183 9.183 8.839 0.344 25910 2305 1 8 . 1 1 22 22 VAL N N 22 117.316 117.316 118.604 -1.288 25910 2306 1 8 . 1 1 22 22 VAL HA H 22 4.137 4.137 4.133 0.004 25910 2307 1 8 . 1 1 22 22 VAL C C 22 174.432 174.432 174.752 -0.320 25910 2308 1 8 . 1 1 22 22 VAL CA C 22 63.321 63.321 63.976 -0.655 25910 2309 1 8 . 1 1 22 22 VAL CB C 22 32.120 32.120 32.265 -0.145 25910 2310 1 8 . 1 1 22 22 VAL H H 22 8.519 8.519 8.409 0.110 25910 2311 1 8 . 1 1 23 23 ASP N N 23 116.395 116.395 117.032 -0.637 25910 2312 1 8 . 1 1 23 23 ASP HA H 23 4.580 4.580 4.876 -0.296 25910 2313 1 8 . 1 1 23 23 ASP C C 23 174.391 174.391 175.481 -1.090 25910 2314 1 8 . 1 1 23 23 ASP CA C 23 52.345 52.345 53.485 -1.140 25910 2315 1 8 . 1 1 23 23 ASP CB C 23 42.149 42.149 43.051 -0.902 25910 2316 1 8 . 1 1 23 23 ASP H H 23 7.191 7.191 7.716 -0.525 25910 2317 1 8 . 1 1 24 24 ALA N N 24 123.019 123.019 125.908 -2.889 25910 2318 1 8 . 1 1 24 24 ALA HA H 24 3.349 3.349 3.421 -0.072 25910 2319 1 8 . 1 1 24 24 ALA C C 24 179.001 179.001 178.226 0.775 25910 2320 1 8 . 1 1 24 24 ALA CA C 24 54.346 54.346 55.068 -0.722 25910 2321 1 8 . 1 1 24 24 ALA CB C 24 17.327 17.327 18.850 -1.523 25910 2322 1 8 . 1 1 24 24 ALA H H 24 8.315 8.315 8.755 -0.440 25910 2323 1 8 . 1 1 25 25 ALA N N 25 122.203 122.203 120.075 2.128 25910 2324 1 8 . 1 1 25 25 ALA HA H 25 3.891 3.891 3.960 -0.069 25910 2325 1 8 . 1 1 25 25 ALA C C 25 180.736 180.736 179.495 1.241 25910 2326 1 8 . 1 1 25 25 ALA CA C 25 54.646 54.646 55.186 -0.540 25910 2327 1 8 . 1 1 25 25 ALA CB C 25 17.623 17.623 17.930 -0.308 25910 2328 1 8 . 1 1 25 25 ALA H H 25 7.982 7.982 8.423 -0.441 25910 2329 1 8 . 1 1 26 26 THR N N 26 118.231 118.231 114.748 3.483 25910 2330 1 8 . 1 1 26 26 THR HA H 26 3.973 3.973 3.931 0.042 25910 2331 1 8 . 1 1 26 26 THR C C 26 175.969 175.969 176.241 -0.272 25910 2332 1 8 . 1 1 26 26 THR CA C 26 66.690 66.690 66.050 0.640 25910 2333 1 8 . 1 1 26 26 THR CB C 26 66.977 66.977 68.439 -1.462 25910 2334 1 8 . 1 1 26 26 THR H H 26 8.258 8.258 7.607 0.651 25910 2335 1 8 . 1 1 27 27 ALA N N 27 125.522 125.522 124.467 1.055 25910 2336 1 8 . 1 1 27 27 ALA HA H 27 3.008 3.008 3.723 -0.715 25910 2337 1 8 . 1 1 27 27 ALA C C 27 176.928 176.928 178.620 -1.692 25910 2338 1 8 . 1 1 27 27 ALA CA C 27 54.544 54.544 54.922 -0.378 25910 2339 1 8 . 1 1 27 27 ALA CB C 27 17.299 17.299 17.725 -0.426 25910 2340 1 8 . 1 1 27 27 ALA H H 27 6.992 6.992 7.184 -0.192 25910 2341 1 8 . 1 1 28 28 GLU N N 28 118.584 118.584 119.023 -0.439 25910 2342 1 8 . 1 1 28 28 GLU HA H 28 2.575 2.575 3.969 -1.394 25910 2343 1 8 . 1 1 28 28 GLU C C 28 177.127 177.127 178.809 -1.682 25910 2344 1 8 . 1 1 28 28 GLU CA C 28 59.522 59.522 59.738 -0.216 25910 2345 1 8 . 1 1 28 28 GLU CB C 28 32.612 32.612 29.580 3.032 25910 2346 1 8 . 1 1 28 28 GLU H H 28 8.284 8.284 8.291 -0.007 25910 2347 1 8 . 1 1 29 29 LYS N N 29 118.504 118.504 117.648 0.856 25910 2348 1 8 . 1 1 29 29 LYS HA H 29 3.654 3.654 3.910 -0.256 25910 2349 1 8 . 1 1 29 29 LYS C C 29 179.844 179.844 179.349 0.495 25910 2350 1 8 . 1 1 29 29 LYS CA C 29 59.589 59.589 59.095 0.494 25910 2351 1 8 . 1 1 29 29 LYS CB C 29 32.200 32.200 32.311 -0.111 25910 2352 1 8 . 1 1 29 29 LYS H H 29 6.861 6.861 8.028 -1.167 25910 2353 1 8 . 1 1 30 30 VAL N N 30 122.501 122.501 119.308 3.193 25910 2354 1 8 . 1 1 30 30 VAL HA H 30 3.550 3.550 3.653 -0.103 25910 2355 1 8 . 1 1 30 30 VAL C C 30 179.643 179.643 178.402 1.241 25910 2356 1 8 . 1 1 30 30 VAL CA C 30 65.870 65.870 65.391 0.479 25910 2357 1 8 . 1 1 30 30 VAL CB C 30 31.729 31.729 31.904 -0.175 25910 2358 1 8 . 1 1 30 30 VAL H H 30 7.203 7.203 7.238 -0.035 25910 2359 1 8 . 1 1 31 31 PHE N N 31 122.601 122.601 118.386 4.215 25910 2360 1 8 . 1 1 31 31 PHE C C 31 178.161 178.161 177.611 0.550 25910 2361 1 8 . 1 1 31 31 PHE CA C 31 55.903 55.903 60.820 -4.917 25910 2362 1 8 . 1 1 31 31 PHE H H 31 8.398 8.398 7.726 0.672 25910 2363 1 8 . 1 1 32 32 LYS N N 32 124.739 124.739 120.288 4.451 25910 2364 1 8 . 1 1 32 32 LYS HA H 32 4.085 4.085 3.820 0.265 25910 2365 1 8 . 1 1 32 32 LYS C C 32 179.432 179.432 178.666 0.766 25910 2366 1 8 . 1 1 32 32 LYS CA C 32 59.714 59.714 60.231 -0.517 25910 2367 1 8 . 1 1 32 32 LYS CB C 32 31.660 31.660 31.875 -0.214 25910 2368 1 8 . 1 1 32 32 LYS H H 32 9.078 9.078 8.413 0.665 25910 2369 1 8 . 1 1 33 33 GLN N N 33 121.561 121.561 117.942 3.619 25910 2370 1 8 . 1 1 33 33 GLN HA H 33 3.986 3.986 4.007 -0.021 25910 2371 1 8 . 1 1 33 33 GLN C C 33 176.867 176.867 178.238 -1.371 25910 2372 1 8 . 1 1 33 33 GLN CA C 33 58.531 58.531 59.076 -0.545 25910 2373 1 8 . 1 1 33 33 GLN CB C 33 27.914 27.914 28.655 -0.741 25910 2374 1 8 . 1 1 33 33 GLN H H 33 7.325 7.325 7.662 -0.337 25910 2375 1 8 . 1 1 34 34 TYR N N 34 122.729 122.729 120.536 2.193 25910 2376 1 8 . 1 1 34 34 TYR HA H 34 4.206 4.206 4.129 0.077 25910 2377 1 8 . 1 1 34 34 TYR C C 34 178.875 178.875 177.236 1.639 25910 2378 1 8 . 1 1 34 34 TYR CA C 34 61.673 61.673 60.831 0.842 25910 2379 1 8 . 1 1 34 34 TYR CB C 34 38.779 38.779 38.010 0.769 25910 2380 1 8 . 1 1 34 34 TYR H H 34 8.165 8.165 7.980 0.185 25910 2381 1 8 . 1 1 35 35 ALA N N 35 124.565 124.565 120.488 4.077 25910 2382 1 8 . 1 1 35 35 ALA HA H 35 3.754 3.754 3.463 0.291 25910 2383 1 8 . 1 1 35 35 ALA C C 35 174.251 174.251 179.472 -5.221 25910 2384 1 8 . 1 1 35 35 ALA CA C 35 56.260 56.260 55.198 1.062 25910 2385 1 8 . 1 1 35 35 ALA CB C 35 17.622 17.622 18.058 -0.436 25910 2386 1 8 . 1 1 35 35 ALA H H 35 9.126 9.126 8.507 0.619 25910 2387 1 8 . 1 1 36 36 ASN N N 36 119.406 119.406 117.552 1.854 25910 2388 1 8 . 1 1 36 36 ASN HA H 36 4.370 4.370 4.644 -0.274 25910 2389 1 8 . 1 1 36 36 ASN C C 36 179.225 179.225 178.342 0.883 25910 2390 1 8 . 1 1 36 36 ASN CA C 36 56.845 56.845 55.932 0.913 25910 2391 1 8 . 1 1 36 36 ASN CB C 36 38.724 38.724 38.766 -0.042 25910 2392 1 8 . 1 1 36 36 ASN H H 36 8.156 8.156 8.241 -0.085 25910 2393 1 8 . 1 1 37 37 ASP N N 37 123.289 123.289 120.410 2.879 25910 2394 1 8 . 1 1 37 37 ASP HA H 37 4.291 4.291 4.445 -0.154 25910 2395 1 8 . 1 1 37 37 ASP C C 37 176.917 176.917 177.864 -0.947 25910 2396 1 8 . 1 1 37 37 ASP CA C 37 56.791 56.791 56.540 0.251 25910 2397 1 8 . 1 1 37 37 ASP CB C 37 41.927 41.927 41.046 0.881 25910 2398 1 8 . 1 1 37 37 ASP H H 37 8.854 8.854 8.691 0.163 25910 2399 1 8 . 1 1 38 38 ASN N N 38 117.154 117.154 116.321 0.833 25910 2400 1 8 . 1 1 38 38 ASN HA H 38 4.528 4.528 4.662 -0.134 25910 2401 1 8 . 1 1 38 38 ASN C C 38 173.809 173.809 175.679 -1.870 25910 2402 1 8 . 1 1 38 38 ASN CA C 38 53.604 53.604 52.647 0.957 25910 2403 1 8 . 1 1 38 38 ASN H H 38 7.302 7.302 8.011 -0.709 25910 2404 1 8 . 1 1 39 39 GLY N N 39 109.931 109.931 107.405 2.526 25910 2405 1 8 . 1 1 39 39 GLY C C 39 177.482 177.482 173.252 4.230 25910 2406 1 8 . 1 1 39 39 GLY CA C 39 46.647 46.647 45.406 1.241 25910 2407 1 8 . 1 1 39 39 GLY H H 39 7.716 7.716 7.630 0.086 25910 2408 1 8 . 1 1 40 40 VAL N N 40 122.793 122.793 118.584 4.209 25910 2409 1 8 . 1 1 40 40 VAL HA H 40 4.099 4.099 4.408 -0.309 25910 2410 1 8 . 1 1 40 40 VAL C C 40 173.752 173.752 173.811 -0.059 25910 2411 1 8 . 1 1 40 40 VAL CA C 40 61.738 61.738 60.352 1.386 25910 2412 1 8 . 1 1 40 40 VAL CB C 40 32.918 32.918 34.086 -1.168 25910 2413 1 8 . 1 1 40 40 VAL H H 40 8.027 8.027 7.997 0.030 25910 2414 1 8 . 1 1 41 41 ASP N N 41 129.935 129.935 123.179 6.756 25910 2415 1 8 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.951 -0.126 25910 2416 1 8 . 1 1 41 41 ASP C C 41 174.270 174.270 174.741 -0.471 25910 2417 1 8 . 1 1 41 41 ASP CA C 41 52.473 52.473 53.221 -0.748 25910 2418 1 8 . 1 1 41 41 ASP CB C 41 42.513 42.513 44.685 -2.172 25910 2419 1 8 . 1 1 41 41 ASP H H 41 8.588 8.588 8.421 0.167 25910 2420 1 8 . 1 1 42 42 GLY N N 42 109.126 109.126 107.834 1.292 25910 2421 1 8 . 1 1 42 42 GLY C C 42 171.778 171.778 172.800 -1.022 25910 2422 1 8 . 1 1 42 42 GLY CA C 42 45.243 45.243 45.120 0.123 25910 2423 1 8 . 1 1 42 42 GLY H H 42 7.672 7.672 8.139 -0.467 25910 2424 1 8 . 1 1 43 43 GLU N N 43 122.448 122.448 120.943 1.505 25910 2425 1 8 . 1 1 43 43 GLU HA H 43 4.628 4.628 4.692 -0.064 25910 2426 1 8 . 1 1 43 43 GLU C C 43 176.874 176.874 176.058 0.816 25910 2427 1 8 . 1 1 43 43 GLU CA C 43 55.350 55.350 55.173 0.176 25910 2428 1 8 . 1 1 43 43 GLU CB C 43 31.207 31.207 31.342 -0.135 25910 2429 1 8 . 1 1 43 43 GLU H H 43 8.089 8.089 8.309 -0.220 25910 2430 1 8 . 1 1 44 44 TRP N N 44 130.232 130.232 125.416 4.816 25910 2431 1 8 . 1 1 44 44 TRP HA H 44 5.313 5.313 5.037 0.276 25910 2432 1 8 . 1 1 44 44 TRP C C 44 176.867 176.867 175.854 1.013 25910 2433 1 8 . 1 1 44 44 TRP CA C 44 57.688 57.688 56.367 1.321 25910 2434 1 8 . 1 1 44 44 TRP CB C 44 30.268 30.268 29.732 0.536 25910 2435 1 8 . 1 1 44 44 TRP H H 44 9.284 9.284 8.642 0.642 25910 2436 1 8 . 1 1 45 45 THR N N 45 116.544 116.544 121.086 -4.542 25910 2437 1 8 . 1 1 45 45 THR HA H 45 4.626 4.626 4.678 -0.052 25910 2438 1 8 . 1 1 45 45 THR C C 45 172.518 172.518 172.449 0.069 25910 2439 1 8 . 1 1 45 45 THR CA C 45 60.392 60.392 61.381 -0.989 25910 2440 1 8 . 1 1 45 45 THR CB C 45 72.517 72.517 70.688 1.829 25910 2441 1 8 . 1 1 45 45 THR H H 45 9.192 9.192 8.320 0.872 25910 2442 1 8 . 1 1 46 46 TYR N N 46 122.420 122.420 123.596 -1.176 25910 2443 1 8 . 1 1 46 46 TYR HA H 46 4.375 4.375 4.255 0.120 25910 2444 1 8 . 1 1 46 46 TYR C C 46 173.077 173.077 174.060 -0.983 25910 2445 1 8 . 1 1 46 46 TYR CA C 46 56.663 56.663 54.870 1.793 25910 2446 1 8 . 1 1 46 46 TYR CB C 46 38.701 38.701 39.893 -1.192 25910 2447 1 8 . 1 1 46 46 TYR H H 46 8.512 8.512 8.209 0.303 25910 2448 1 8 . 1 1 47 47 ASP N N 47 130.329 130.329 124.558 5.771 25910 2449 1 8 . 1 1 47 47 ASP HA H 47 4.520 4.520 4.658 -0.138 25910 2450 1 8 . 1 1 47 47 ASP C C 47 174.266 174.266 175.615 -1.349 25910 2451 1 8 . 1 1 47 47 ASP CA C 47 51.864 51.864 53.857 -1.993 25910 2452 1 8 . 1 1 47 47 ASP CB C 47 42.670 42.670 42.694 -0.024 25910 2453 1 8 . 1 1 47 47 ASP H H 47 7.613 7.613 8.330 -0.717 25910 2454 1 8 . 1 1 48 48 ASP N N 48 126.699 126.699 124.810 1.889 25910 2455 1 8 . 1 1 48 48 ASP HA H 48 4.019 4.019 4.474 -0.455 25910 2456 1 8 . 1 1 48 48 ASP C C 48 177.981 177.981 176.855 1.126 25910 2457 1 8 . 1 1 48 48 ASP CA C 48 56.198 56.198 56.860 -0.662 25910 2458 1 8 . 1 1 48 48 ASP CB C 48 41.614 41.614 41.182 0.432 25910 2459 1 8 . 1 1 48 48 ASP H H 48 8.422 8.422 8.815 -0.393 25910 2460 1 8 . 1 1 49 49 ALA N N 49 121.819 121.819 123.252 -1.433 25910 2461 1 8 . 1 1 49 49 ALA HA H 49 4.021 4.021 4.124 -0.103 25910 2462 1 8 . 1 1 49 49 ALA C C 49 179.522 179.522 178.714 0.808 25910 2463 1 8 . 1 1 49 49 ALA CA C 49 54.829 54.829 54.652 0.177 25910 2464 1 8 . 1 1 49 49 ALA CB C 49 18.168 18.168 18.078 0.090 25910 2465 1 8 . 1 1 49 49 ALA H H 49 8.202 8.202 8.413 -0.211 25910 2466 1 8 . 1 1 50 50 THR N N 50 105.089 105.089 111.975 -6.886 25910 2467 1 8 . 1 1 50 50 THR HA H 50 4.318 4.318 4.247 0.071 25910 2468 1 8 . 1 1 50 50 THR C C 50 174.943 174.943 174.894 0.049 25910 2469 1 8 . 1 1 50 50 THR CA C 50 60.343 60.343 62.334 -1.991 25910 2470 1 8 . 1 1 50 50 THR CB C 50 69.532 69.532 68.792 0.740 25910 2471 1 8 . 1 1 50 50 THR H H 50 6.890 6.890 7.965 -1.075 25910 2472 1 8 . 1 1 51 51 LYS N N 51 125.512 125.512 119.268 6.244 25910 2473 1 8 . 1 1 51 51 LYS HA H 51 4.079 4.079 4.030 0.049 25910 2474 1 8 . 1 1 51 51 LYS C C 51 174.733 174.733 174.789 -0.056 25910 2475 1 8 . 1 1 51 51 LYS CA C 51 57.119 57.119 56.985 0.134 25910 2476 1 8 . 1 1 51 51 LYS CB C 51 33.975 33.975 31.005 2.970 25910 2477 1 8 . 1 1 51 51 LYS H H 51 7.764 7.764 7.889 -0.125 25910 2478 1 8 . 1 1 52 52 THR N N 52 112.742 112.742 108.642 4.100 25910 2479 1 8 . 1 1 52 52 THR HA H 52 5.437 5.437 4.830 0.607 25910 2480 1 8 . 1 1 52 52 THR C C 52 174.733 174.733 172.405 2.328 25910 2481 1 8 . 1 1 52 52 THR CA C 52 62.078 62.078 60.406 1.672 25910 2482 1 8 . 1 1 52 52 THR CB C 52 63.076 63.076 72.088 -9.012 25910 2483 1 8 . 1 1 52 52 THR H H 52 7.261 7.261 7.927 -0.666 25910 2484 1 8 . 1 1 53 53 PHE N N 53 132.937 132.937 123.176 9.761 25910 2485 1 8 . 1 1 53 53 PHE HA H 53 5.641 5.641 4.992 0.649 25910 2486 1 8 . 1 1 53 53 PHE C C 53 174.377 174.377 173.389 0.988 25910 2487 1 8 . 1 1 53 53 PHE CA C 53 56.995 56.995 57.065 -0.070 25910 2488 1 8 . 1 1 53 53 PHE CB C 53 42.679 42.679 42.408 0.271 25910 2489 1 8 . 1 1 53 53 PHE H H 53 10.363 10.363 8.414 1.949 25910 2490 1 8 . 1 1 54 54 THR N N 54 119.069 119.069 123.550 -4.481 25910 2491 1 8 . 1 1 54 54 THR HA H 54 5.140 5.140 5.041 0.099 25910 2492 1 8 . 1 1 54 54 THR C C 54 172.417 172.417 173.745 -1.328 25910 2493 1 8 . 1 1 54 54 THR CA C 54 61.408 61.408 61.110 0.298 25910 2494 1 8 . 1 1 54 54 THR CB C 54 65.839 65.839 71.149 -5.310 25910 2495 1 8 . 1 1 54 54 THR H H 54 9.011 9.011 8.428 0.583 25910 2496 1 8 . 1 1 55 55 VAL N N 55 125.268 125.268 128.673 -3.405 25910 2497 1 8 . 1 1 55 55 VAL HA H 55 4.382 4.382 3.902 0.480 25910 2498 1 8 . 1 1 55 55 VAL CA C 55 57.834 57.834 61.377 -3.543 25910 2499 1 8 . 1 1 55 55 VAL CB C 55 32.223 32.223 30.397 1.826 25910 2500 1 8 . 1 1 55 55 VAL H H 55 8.122 8.122 8.763 -0.641 25910 2501 1 8 . 1 1 56 56 THR N N 56 125.548 125.548 123.593 1.955 25910 2502 1 8 . 1 1 56 56 THR C C 56 173.901 173.901 173.403 0.498 25910 2503 1 8 . 1 1 56 56 THR CA C 56 61.272 61.272 61.205 0.068 25910 2504 1 8 . 1 1 56 56 THR H H 56 8.306 8.306 7.894 0.412 25910 2505 1 9 . 1 1 2 2 GLY N N 2 113.750 113.750 110.405 3.345 25910 2506 1 9 . 1 1 2 2 GLY C C 2 176.605 176.605 173.615 2.990 25910 2507 1 9 . 1 1 2 2 GLY CA C 2 44.589 44.589 45.397 -0.807 25910 2508 1 9 . 1 1 2 2 GLY H H 2 8.454 8.454 8.641 -0.187 25910 2509 1 9 . 1 1 3 3 THR N N 3 118.182 118.182 121.290 -3.108 25910 2510 1 9 . 1 1 3 3 THR HA H 3 4.594 4.594 4.526 0.068 25910 2511 1 9 . 1 1 3 3 THR C C 3 173.943 173.943 173.657 0.286 25910 2512 1 9 . 1 1 3 3 THR CA C 3 62.633 62.633 62.585 0.048 25910 2513 1 9 . 1 1 3 3 THR CB C 3 72.413 72.413 69.471 2.942 25910 2514 1 9 . 1 1 3 3 THR H H 3 8.076 8.076 7.993 0.083 25910 2515 1 9 . 1 1 4 4 TYR N N 4 128.256 128.256 127.970 0.286 25910 2516 1 9 . 1 1 4 4 TYR HA H 4 5.271 5.271 4.630 0.641 25910 2517 1 9 . 1 1 4 4 TYR C C 4 174.213 174.213 175.245 -1.032 25910 2518 1 9 . 1 1 4 4 TYR CA C 4 56.625 56.625 57.951 -1.326 25910 2519 1 9 . 1 1 4 4 TYR CB C 4 42.657 42.657 39.182 3.474 25910 2520 1 9 . 1 1 4 4 TYR H H 4 9.273 9.273 8.735 0.538 25910 2521 1 9 . 1 1 5 5 LYS N N 5 124.678 124.678 125.369 -0.691 25910 2522 1 9 . 1 1 5 5 LYS HA H 5 5.169 5.169 4.549 0.620 25910 2523 1 9 . 1 1 5 5 LYS C C 5 172.616 172.616 175.149 -2.533 25910 2524 1 9 . 1 1 5 5 LYS CA C 5 54.875 54.875 56.665 -1.790 25910 2525 1 9 . 1 1 5 5 LYS CB C 5 28.908 28.908 33.169 -4.261 25910 2526 1 9 . 1 1 5 5 LYS H H 5 9.075 9.075 8.550 0.525 25910 2527 1 9 . 1 1 6 6 LEU N N 6 128.375 128.375 127.206 1.169 25910 2528 1 9 . 1 1 6 6 LEU HA H 6 4.839 4.839 4.974 -0.135 25910 2529 1 9 . 1 1 6 6 LEU C C 6 174.425 174.425 175.008 -0.583 25910 2530 1 9 . 1 1 6 6 LEU CA C 6 52.459 52.459 53.133 -0.674 25910 2531 1 9 . 1 1 6 6 LEU H H 6 8.541 8.541 8.679 -0.138 25910 2532 1 9 . 1 1 7 7 ILE N N 7 128.123 128.123 128.406 -0.283 25910 2533 1 9 . 1 1 7 7 ILE HA H 7 4.221 4.221 4.471 -0.250 25910 2534 1 9 . 1 1 7 7 ILE C C 7 174.566 174.566 173.912 0.654 25910 2535 1 9 . 1 1 7 7 ILE CA C 7 60.226 60.226 60.251 -0.024 25910 2536 1 9 . 1 1 7 7 ILE CB C 7 37.977 37.977 39.227 -1.250 25910 2537 1 9 . 1 1 7 7 ILE H H 7 9.020 9.020 8.673 0.347 25910 2538 1 9 . 1 1 8 8 LEU N N 8 127.628 127.628 129.404 -1.776 25910 2539 1 9 . 1 1 8 8 LEU HA H 8 4.383 4.383 4.403 -0.020 25910 2540 1 9 . 1 1 8 8 LEU C C 8 174.640 174.640 174.449 0.191 25910 2541 1 9 . 1 1 8 8 LEU CA C 8 54.428 54.428 54.094 0.334 25910 2542 1 9 . 1 1 8 8 LEU CB C 8 42.014 42.014 43.620 -1.605 25910 2543 1 9 . 1 1 8 8 LEU H H 8 8.640 8.640 8.963 -0.323 25910 2544 1 9 . 1 1 9 9 ASN N N 9 128.380 128.380 125.462 2.918 25910 2545 1 9 . 1 1 9 9 ASN HA H 9 5.214 5.214 4.925 0.289 25910 2546 1 9 . 1 1 9 9 ASN C C 9 175.683 175.683 174.427 1.256 25910 2547 1 9 . 1 1 9 9 ASN CA C 9 50.778 50.778 51.895 -1.117 25910 2548 1 9 . 1 1 9 9 ASN CB C 9 37.691 37.691 40.547 -2.856 25910 2549 1 9 . 1 1 9 9 ASN H H 9 8.830 8.830 8.921 -0.091 25910 2550 1 9 . 1 1 10 10 GLY N N 10 111.563 111.563 110.589 0.974 25910 2551 1 9 . 1 1 10 10 GLY C C 10 173.311 173.311 174.209 -0.898 25910 2552 1 9 . 1 1 10 10 GLY CA C 10 44.735 44.735 44.224 0.512 25910 2553 1 9 . 1 1 10 10 GLY H H 10 7.831 7.831 8.218 -0.387 25910 2554 1 9 . 1 1 11 11 LYS N N 11 122.942 122.942 118.391 4.551 25910 2555 1 9 . 1 1 11 11 LYS HA H 11 3.990 3.990 4.366 -0.376 25910 2556 1 9 . 1 1 11 11 LYS C C 11 178.822 178.822 176.932 1.890 25910 2557 1 9 . 1 1 11 11 LYS CA C 11 58.885 58.885 57.757 1.128 25910 2558 1 9 . 1 1 11 11 LYS CB C 11 32.330 32.330 32.672 -0.342 25910 2559 1 9 . 1 1 11 11 LYS H H 11 9.419 9.419 8.632 0.787 25910 2560 1 9 . 1 1 12 12 THR N N 12 110.192 110.192 112.242 -2.050 25910 2561 1 9 . 1 1 12 12 THR HA H 12 4.312 4.312 4.353 -0.041 25910 2562 1 9 . 1 1 12 12 THR C C 12 173.575 173.575 173.425 0.150 25910 2563 1 9 . 1 1 12 12 THR CA C 12 61.517 61.517 62.661 -1.144 25910 2564 1 9 . 1 1 12 12 THR CB C 12 69.598 69.598 69.700 -0.102 25910 2565 1 9 . 1 1 12 12 THR H H 12 8.743 8.743 8.125 0.618 25910 2566 1 9 . 1 1 13 13 LEU N N 13 127.300 127.300 119.024 8.276 25910 2567 1 9 . 1 1 13 13 LEU HA H 13 4.401 4.401 4.918 -0.517 25910 2568 1 9 . 1 1 13 13 LEU C C 13 173.148 173.148 174.381 -1.233 25910 2569 1 9 . 1 1 13 13 LEU CA C 13 54.953 54.953 53.167 1.786 25910 2570 1 9 . 1 1 13 13 LEU CB C 13 43.166 43.166 44.391 -1.225 25910 2571 1 9 . 1 1 13 13 LEU H H 13 7.273 7.273 7.627 -0.354 25910 2572 1 9 . 1 1 14 14 LYS N N 14 125.544 125.544 118.717 6.827 25910 2573 1 9 . 1 1 14 14 LYS HA H 14 5.097 5.097 5.143 -0.046 25910 2574 1 9 . 1 1 14 14 LYS C C 14 176.255 176.255 175.657 0.598 25910 2575 1 9 . 1 1 14 14 LYS CA C 14 53.661 53.661 54.729 -1.068 25910 2576 1 9 . 1 1 14 14 LYS CB C 14 34.743 34.743 36.239 -1.496 25910 2577 1 9 . 1 1 14 14 LYS H H 14 8.062 8.062 8.158 -0.096 25910 2578 1 9 . 1 1 15 15 GLY N N 15 111.144 111.144 107.200 3.944 25910 2579 1 9 . 1 1 15 15 GLY C C 15 171.151 171.151 172.003 -0.852 25910 2580 1 9 . 1 1 15 15 GLY CA C 15 45.006 45.006 45.237 -0.231 25910 2581 1 9 . 1 1 15 15 GLY H H 15 8.349 8.349 8.588 -0.239 25910 2582 1 9 . 1 1 16 16 GLU N N 16 120.581 120.581 122.545 -1.964 25910 2583 1 9 . 1 1 16 16 GLU HA H 16 5.546 5.546 5.427 0.119 25910 2584 1 9 . 1 1 16 16 GLU C C 16 175.034 175.034 175.197 -0.163 25910 2585 1 9 . 1 1 16 16 GLU CA C 16 54.528 54.528 54.935 -0.407 25910 2586 1 9 . 1 1 16 16 GLU CB C 16 33.817 33.817 32.803 1.014 25910 2587 1 9 . 1 1 16 16 GLU H H 16 8.346 8.346 8.624 -0.278 25910 2588 1 9 . 1 1 17 17 THR N N 17 117.658 117.658 118.338 -0.680 25910 2589 1 9 . 1 1 17 17 THR HA H 17 4.622 4.622 4.774 -0.152 25910 2590 1 9 . 1 1 17 17 THR C C 17 171.834 171.834 172.744 -0.910 25910 2591 1 9 . 1 1 17 17 THR CA C 17 60.610 60.610 60.489 0.121 25910 2592 1 9 . 1 1 17 17 THR CB C 17 69.030 69.030 71.133 -2.103 25910 2593 1 9 . 1 1 17 17 THR H H 17 8.636 8.636 8.763 -0.127 25910 2594 1 9 . 1 1 18 18 THR N N 18 113.707 113.707 112.548 1.159 25910 2595 1 9 . 1 1 18 18 THR HA H 18 5.794 5.794 5.257 0.537 25910 2596 1 9 . 1 1 18 18 THR C C 18 173.871 173.871 173.896 -0.025 25910 2597 1 9 . 1 1 18 18 THR CA C 18 59.750 59.750 61.445 -1.695 25910 2598 1 9 . 1 1 18 18 THR CB C 18 73.077 73.077 71.659 1.418 25910 2599 1 9 . 1 1 18 18 THR H H 18 7.970 7.970 8.487 -0.517 25910 2600 1 9 . 1 1 19 19 THR N N 19 116.670 116.670 119.041 -2.371 25910 2601 1 9 . 1 1 19 19 THR HA H 19 4.606 4.606 4.761 -0.155 25910 2602 1 9 . 1 1 19 19 THR C C 19 171.009 171.009 172.727 -1.718 25910 2603 1 9 . 1 1 19 19 THR CA C 19 62.179 62.179 61.592 0.587 25910 2604 1 9 . 1 1 19 19 THR CB C 19 70.463 70.463 70.975 -0.512 25910 2605 1 9 . 1 1 19 19 THR H H 19 9.018 9.018 8.521 0.497 25910 2606 1 9 . 1 1 20 20 GLU N N 20 126.491 126.491 124.286 2.205 25910 2607 1 9 . 1 1 20 20 GLU HA H 20 5.528 5.528 5.294 0.234 25910 2608 1 9 . 1 1 20 20 GLU C C 20 176.205 176.205 175.243 0.962 25910 2609 1 9 . 1 1 20 20 GLU CA C 20 54.574 54.574 54.939 -0.365 25910 2610 1 9 . 1 1 20 20 GLU CB C 20 30.757 30.757 31.636 -0.879 25910 2611 1 9 . 1 1 20 20 GLU H H 20 7.922 7.922 8.570 -0.648 25910 2612 1 9 . 1 1 21 21 ALA N N 21 126.835 126.835 125.307 1.528 25910 2613 1 9 . 1 1 21 21 ALA HA H 21 4.740 4.740 4.583 0.157 25910 2614 1 9 . 1 1 21 21 ALA C C 21 177.223 177.223 176.339 0.884 25910 2615 1 9 . 1 1 21 21 ALA CA C 21 50.945 50.945 51.548 -0.603 25910 2616 1 9 . 1 1 21 21 ALA CB C 21 23.578 23.578 20.811 2.767 25910 2617 1 9 . 1 1 21 21 ALA H H 21 9.183 9.183 8.287 0.896 25910 2618 1 9 . 1 1 22 22 VAL N N 22 117.316 117.316 118.593 -1.277 25910 2619 1 9 . 1 1 22 22 VAL HA H 22 4.137 4.137 3.950 0.187 25910 2620 1 9 . 1 1 22 22 VAL C C 22 174.432 174.432 175.109 -0.677 25910 2621 1 9 . 1 1 22 22 VAL CA C 22 63.321 63.321 64.634 -1.313 25910 2622 1 9 . 1 1 22 22 VAL CB C 22 32.120 32.120 32.260 -0.140 25910 2623 1 9 . 1 1 22 22 VAL H H 22 8.519 8.519 8.501 0.018 25910 2624 1 9 . 1 1 23 23 ASP N N 23 116.395 116.395 114.691 1.704 25910 2625 1 9 . 1 1 23 23 ASP HA H 23 4.580 4.580 4.987 -0.407 25910 2626 1 9 . 1 1 23 23 ASP C C 23 174.391 174.391 175.693 -1.302 25910 2627 1 9 . 1 1 23 23 ASP CA C 23 52.345 52.345 53.426 -1.081 25910 2628 1 9 . 1 1 23 23 ASP CB C 23 42.149 42.149 42.664 -0.515 25910 2629 1 9 . 1 1 23 23 ASP H H 23 7.191 7.191 7.811 -0.620 25910 2630 1 9 . 1 1 24 24 ALA N N 24 123.019 123.019 123.042 -0.023 25910 2631 1 9 . 1 1 24 24 ALA HA H 24 3.349 3.349 3.250 0.099 25910 2632 1 9 . 1 1 24 24 ALA C C 24 179.001 179.001 178.448 0.553 25910 2633 1 9 . 1 1 24 24 ALA CA C 24 54.346 54.346 55.217 -0.871 25910 2634 1 9 . 1 1 24 24 ALA CB C 24 17.327 17.327 18.308 -0.981 25910 2635 1 9 . 1 1 24 24 ALA H H 24 8.315 8.315 8.641 -0.326 25910 2636 1 9 . 1 1 25 25 ALA N N 25 122.203 122.203 120.529 1.674 25910 2637 1 9 . 1 1 25 25 ALA HA H 25 3.891 3.891 3.966 -0.075 25910 2638 1 9 . 1 1 25 25 ALA C C 25 180.736 180.736 179.673 1.063 25910 2639 1 9 . 1 1 25 25 ALA CA C 25 54.646 54.646 55.013 -0.367 25910 2640 1 9 . 1 1 25 25 ALA CB C 25 17.623 17.623 17.709 -0.086 25910 2641 1 9 . 1 1 25 25 ALA H H 25 7.982 7.982 8.303 -0.321 25910 2642 1 9 . 1 1 26 26 THR N N 26 118.231 118.231 114.564 3.667 25910 2643 1 9 . 1 1 26 26 THR HA H 26 3.973 3.973 4.006 -0.033 25910 2644 1 9 . 1 1 26 26 THR C C 26 175.969 175.969 176.298 -0.329 25910 2645 1 9 . 1 1 26 26 THR CA C 26 66.690 66.690 66.229 0.461 25910 2646 1 9 . 1 1 26 26 THR CB C 26 66.977 66.977 68.541 -1.564 25910 2647 1 9 . 1 1 26 26 THR H H 26 8.258 8.258 7.811 0.447 25910 2648 1 9 . 1 1 27 27 ALA N N 27 125.522 125.522 124.602 0.920 25910 2649 1 9 . 1 1 27 27 ALA HA H 27 3.008 3.008 4.138 -1.130 25910 2650 1 9 . 1 1 27 27 ALA C C 27 176.928 176.928 179.316 -2.388 25910 2651 1 9 . 1 1 27 27 ALA CA C 27 54.544 54.544 55.131 -0.587 25910 2652 1 9 . 1 1 27 27 ALA CB C 27 17.299 17.299 18.097 -0.798 25910 2653 1 9 . 1 1 27 27 ALA H H 27 6.992 6.992 7.372 -0.380 25910 2654 1 9 . 1 1 28 28 GLU N N 28 118.584 118.584 118.892 -0.308 25910 2655 1 9 . 1 1 28 28 GLU HA H 28 2.575 2.575 3.680 -1.105 25910 2656 1 9 . 1 1 28 28 GLU C C 28 177.127 177.127 178.845 -1.718 25910 2657 1 9 . 1 1 28 28 GLU CA C 28 59.522 59.522 59.509 0.013 25910 2658 1 9 . 1 1 28 28 GLU CB C 28 32.612 32.612 29.549 3.063 25910 2659 1 9 . 1 1 28 28 GLU H H 28 8.284 8.284 8.574 -0.290 25910 2660 1 9 . 1 1 29 29 LYS N N 29 118.504 118.504 118.179 0.325 25910 2661 1 9 . 1 1 29 29 LYS HA H 29 3.654 3.654 3.872 -0.218 25910 2662 1 9 . 1 1 29 29 LYS C C 29 179.844 179.844 179.732 0.112 25910 2663 1 9 . 1 1 29 29 LYS CA C 29 59.589 59.589 58.989 0.600 25910 2664 1 9 . 1 1 29 29 LYS CB C 29 32.200 32.200 32.503 -0.303 25910 2665 1 9 . 1 1 29 29 LYS H H 29 6.861 6.861 8.039 -1.178 25910 2666 1 9 . 1 1 30 30 VAL N N 30 122.501 122.501 120.897 1.604 25910 2667 1 9 . 1 1 30 30 VAL HA H 30 3.550 3.550 3.610 -0.060 25910 2668 1 9 . 1 1 30 30 VAL C C 30 179.643 179.643 178.368 1.275 25910 2669 1 9 . 1 1 30 30 VAL CA C 30 65.870 65.870 66.071 -0.201 25910 2670 1 9 . 1 1 30 30 VAL CB C 30 31.729 31.729 31.800 -0.071 25910 2671 1 9 . 1 1 30 30 VAL H H 30 7.203 7.203 7.744 -0.541 25910 2672 1 9 . 1 1 31 31 PHE N N 31 122.601 122.601 117.023 5.578 25910 2673 1 9 . 1 1 31 31 PHE C C 31 178.161 178.161 177.161 1.000 25910 2674 1 9 . 1 1 31 31 PHE CA C 31 55.903 55.903 59.165 -3.262 25910 2675 1 9 . 1 1 31 31 PHE H H 31 8.398 8.398 8.615 -0.217 25910 2676 1 9 . 1 1 32 32 LYS N N 32 124.739 124.739 120.910 3.829 25910 2677 1 9 . 1 1 32 32 LYS HA H 32 4.085 4.085 3.981 0.104 25910 2678 1 9 . 1 1 32 32 LYS C C 32 179.432 179.432 178.515 0.917 25910 2679 1 9 . 1 1 32 32 LYS CA C 32 59.714 59.714 60.209 -0.495 25910 2680 1 9 . 1 1 32 32 LYS CB C 32 31.660 31.660 31.956 -0.296 25910 2681 1 9 . 1 1 32 32 LYS H H 32 9.078 9.078 7.751 1.327 25910 2682 1 9 . 1 1 33 33 GLN N N 33 121.561 121.561 118.069 3.492 25910 2683 1 9 . 1 1 33 33 GLN HA H 33 3.986 3.986 4.003 -0.017 25910 2684 1 9 . 1 1 33 33 GLN C C 33 176.867 176.867 178.372 -1.505 25910 2685 1 9 . 1 1 33 33 GLN CA C 33 58.531 58.531 58.971 -0.440 25910 2686 1 9 . 1 1 33 33 GLN CB C 33 27.914 27.914 28.649 -0.735 25910 2687 1 9 . 1 1 33 33 GLN H H 33 7.325 7.325 7.736 -0.411 25910 2688 1 9 . 1 1 34 34 TYR N N 34 122.729 122.729 120.507 2.222 25910 2689 1 9 . 1 1 34 34 TYR HA H 34 4.206 4.206 4.180 0.026 25910 2690 1 9 . 1 1 34 34 TYR C C 34 178.875 178.875 177.208 1.667 25910 2691 1 9 . 1 1 34 34 TYR CA C 34 61.673 61.673 60.847 0.826 25910 2692 1 9 . 1 1 34 34 TYR CB C 34 38.779 38.779 38.206 0.573 25910 2693 1 9 . 1 1 34 34 TYR H H 34 8.165 8.165 8.118 0.047 25910 2694 1 9 . 1 1 35 35 ALA N N 35 124.565 124.565 120.947 3.618 25910 2695 1 9 . 1 1 35 35 ALA HA H 35 3.754 3.754 3.422 0.332 25910 2696 1 9 . 1 1 35 35 ALA C C 35 174.251 174.251 179.629 -5.378 25910 2697 1 9 . 1 1 35 35 ALA CA C 35 56.260 56.260 55.076 1.184 25910 2698 1 9 . 1 1 35 35 ALA CB C 35 17.622 17.622 18.178 -0.556 25910 2699 1 9 . 1 1 35 35 ALA H H 35 9.126 9.126 8.800 0.326 25910 2700 1 9 . 1 1 36 36 ASN N N 36 119.406 119.406 116.119 3.287 25910 2701 1 9 . 1 1 36 36 ASN HA H 36 4.370 4.370 4.583 -0.213 25910 2702 1 9 . 1 1 36 36 ASN C C 36 179.225 179.225 177.109 2.116 25910 2703 1 9 . 1 1 36 36 ASN CA C 36 56.845 56.845 55.398 1.448 25910 2704 1 9 . 1 1 36 36 ASN CB C 36 38.724 38.724 38.830 -0.106 25910 2705 1 9 . 1 1 36 36 ASN H H 36 8.156 8.156 8.470 -0.314 25910 2706 1 9 . 1 1 37 37 ASP N N 37 123.289 123.289 118.714 4.575 25910 2707 1 9 . 1 1 37 37 ASP HA H 37 4.291 4.291 4.480 -0.189 25910 2708 1 9 . 1 1 37 37 ASP C C 37 176.917 176.917 177.792 -0.875 25910 2709 1 9 . 1 1 37 37 ASP CA C 37 56.791 56.791 55.927 0.864 25910 2710 1 9 . 1 1 37 37 ASP CB C 37 41.927 41.927 41.185 0.742 25910 2711 1 9 . 1 1 37 37 ASP H H 37 8.854 8.854 8.161 0.693 25910 2712 1 9 . 1 1 38 38 ASN N N 38 117.154 117.154 116.336 0.818 25910 2713 1 9 . 1 1 38 38 ASN HA H 38 4.528 4.528 4.740 -0.212 25910 2714 1 9 . 1 1 38 38 ASN C C 38 173.809 173.809 175.415 -1.606 25910 2715 1 9 . 1 1 38 38 ASN CA C 38 53.604 53.604 51.824 1.780 25910 2716 1 9 . 1 1 38 38 ASN H H 38 7.302 7.302 7.579 -0.277 25910 2717 1 9 . 1 1 39 39 GLY N N 39 109.931 109.931 108.096 1.835 25910 2718 1 9 . 1 1 39 39 GLY C C 39 177.482 177.482 173.475 4.007 25910 2719 1 9 . 1 1 39 39 GLY CA C 39 46.647 46.647 45.589 1.058 25910 2720 1 9 . 1 1 39 39 GLY H H 39 7.716 7.716 7.541 0.175 25910 2721 1 9 . 1 1 40 40 VAL N N 40 122.793 122.793 119.383 3.410 25910 2722 1 9 . 1 1 40 40 VAL HA H 40 4.099 4.099 4.717 -0.618 25910 2723 1 9 . 1 1 40 40 VAL C C 40 173.752 173.752 174.332 -0.580 25910 2724 1 9 . 1 1 40 40 VAL CA C 40 61.738 61.738 60.855 0.883 25910 2725 1 9 . 1 1 40 40 VAL CB C 40 32.918 32.918 34.122 -1.204 25910 2726 1 9 . 1 1 40 40 VAL H H 40 8.027 8.027 7.765 0.262 25910 2727 1 9 . 1 1 41 41 ASP N N 41 129.935 129.935 127.859 2.076 25910 2728 1 9 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.887 -0.062 25910 2729 1 9 . 1 1 41 41 ASP C C 41 174.270 174.270 175.188 -0.918 25910 2730 1 9 . 1 1 41 41 ASP CA C 41 52.473 52.473 53.766 -1.293 25910 2731 1 9 . 1 1 41 41 ASP CB C 41 42.513 42.513 42.934 -0.421 25910 2732 1 9 . 1 1 41 41 ASP H H 41 8.588 8.588 8.349 0.239 25910 2733 1 9 . 1 1 42 42 GLY N N 42 109.126 109.126 110.249 -1.123 25910 2734 1 9 . 1 1 42 42 GLY C C 42 171.778 171.778 173.341 -1.563 25910 2735 1 9 . 1 1 42 42 GLY CA C 42 45.243 45.243 43.852 1.391 25910 2736 1 9 . 1 1 42 42 GLY H H 42 7.672 7.672 7.882 -0.210 25910 2737 1 9 . 1 1 43 43 GLU N N 43 122.448 122.448 121.554 0.894 25910 2738 1 9 . 1 1 43 43 GLU HA H 43 4.628 4.628 4.529 0.099 25910 2739 1 9 . 1 1 43 43 GLU C C 43 176.874 176.874 176.386 0.488 25910 2740 1 9 . 1 1 43 43 GLU CA C 43 55.350 55.350 55.330 0.020 25910 2741 1 9 . 1 1 43 43 GLU CB C 43 31.207 31.207 30.610 0.598 25910 2742 1 9 . 1 1 43 43 GLU H H 43 8.089 8.089 8.272 -0.183 25910 2743 1 9 . 1 1 44 44 TRP N N 44 130.232 130.232 128.201 2.031 25910 2744 1 9 . 1 1 44 44 TRP HA H 44 5.313 5.313 5.175 0.138 25910 2745 1 9 . 1 1 44 44 TRP C C 44 176.867 176.867 176.583 0.284 25910 2746 1 9 . 1 1 44 44 TRP CA C 44 57.688 57.688 56.670 1.018 25910 2747 1 9 . 1 1 44 44 TRP CB C 44 30.268 30.268 29.476 0.792 25910 2748 1 9 . 1 1 44 44 TRP H H 44 9.284 9.284 8.961 0.323 25910 2749 1 9 . 1 1 45 45 THR N N 45 116.544 116.544 121.203 -4.659 25910 2750 1 9 . 1 1 45 45 THR HA H 45 4.626 4.626 4.815 -0.189 25910 2751 1 9 . 1 1 45 45 THR C C 45 172.518 172.518 173.439 -0.921 25910 2752 1 9 . 1 1 45 45 THR CA C 45 60.392 60.392 61.506 -1.114 25910 2753 1 9 . 1 1 45 45 THR CB C 45 72.517 72.517 70.702 1.815 25910 2754 1 9 . 1 1 45 45 THR H H 45 9.192 9.192 8.952 0.240 25910 2755 1 9 . 1 1 46 46 TYR N N 46 122.420 122.420 124.862 -2.442 25910 2756 1 9 . 1 1 46 46 TYR HA H 46 4.375 4.375 4.687 -0.312 25910 2757 1 9 . 1 1 46 46 TYR C C 46 173.077 173.077 174.609 -1.532 25910 2758 1 9 . 1 1 46 46 TYR CA C 46 56.663 56.663 55.218 1.445 25910 2759 1 9 . 1 1 46 46 TYR CB C 46 38.701 38.701 38.786 -0.085 25910 2760 1 9 . 1 1 46 46 TYR H H 46 8.512 8.512 8.256 0.256 25910 2761 1 9 . 1 1 47 47 ASP N N 47 130.329 130.329 123.553 6.776 25910 2762 1 9 . 1 1 47 47 ASP HA H 47 4.520 4.520 4.857 -0.337 25910 2763 1 9 . 1 1 47 47 ASP C C 47 174.266 174.266 175.784 -1.518 25910 2764 1 9 . 1 1 47 47 ASP CA C 47 51.864 51.864 52.857 -0.993 25910 2765 1 9 . 1 1 47 47 ASP CB C 47 42.670 42.670 42.454 0.216 25910 2766 1 9 . 1 1 47 47 ASP H H 47 7.613 7.613 8.688 -1.075 25910 2767 1 9 . 1 1 48 48 ASP N N 48 126.699 126.699 126.757 -0.058 25910 2768 1 9 . 1 1 48 48 ASP HA H 48 4.019 4.019 4.498 -0.479 25910 2769 1 9 . 1 1 48 48 ASP C C 48 177.981 177.981 176.739 1.242 25910 2770 1 9 . 1 1 48 48 ASP CA C 48 56.198 56.198 56.472 -0.274 25910 2771 1 9 . 1 1 48 48 ASP CB C 48 41.614 41.614 41.085 0.529 25910 2772 1 9 . 1 1 48 48 ASP H H 48 8.422 8.422 8.813 -0.391 25910 2773 1 9 . 1 1 49 49 ALA N N 49 121.819 121.819 121.540 0.279 25910 2774 1 9 . 1 1 49 49 ALA HA H 49 4.021 4.021 4.230 -0.209 25910 2775 1 9 . 1 1 49 49 ALA C C 49 179.522 179.522 179.237 0.285 25910 2776 1 9 . 1 1 49 49 ALA CA C 49 54.829 54.829 54.387 0.442 25910 2777 1 9 . 1 1 49 49 ALA CB C 49 18.168 18.168 18.515 -0.347 25910 2778 1 9 . 1 1 49 49 ALA H H 49 8.202 8.202 7.767 0.435 25910 2779 1 9 . 1 1 50 50 THR N N 50 105.089 105.089 112.014 -6.925 25910 2780 1 9 . 1 1 50 50 THR HA H 50 4.318 4.318 4.290 0.028 25910 2781 1 9 . 1 1 50 50 THR C C 50 174.943 174.943 174.614 0.329 25910 2782 1 9 . 1 1 50 50 THR CA C 50 60.343 60.343 63.535 -3.192 25910 2783 1 9 . 1 1 50 50 THR CB C 50 69.532 69.532 69.509 0.023 25910 2784 1 9 . 1 1 50 50 THR H H 50 6.890 6.890 8.486 -1.596 25910 2785 1 9 . 1 1 51 51 LYS N N 51 125.512 125.512 119.845 5.667 25910 2786 1 9 . 1 1 51 51 LYS HA H 51 4.079 4.079 3.925 0.154 25910 2787 1 9 . 1 1 51 51 LYS C C 51 174.733 174.733 174.809 -0.076 25910 2788 1 9 . 1 1 51 51 LYS CA C 51 57.119 57.119 57.309 -0.191 25910 2789 1 9 . 1 1 51 51 LYS CB C 51 33.975 33.975 30.689 3.286 25910 2790 1 9 . 1 1 51 51 LYS H H 51 7.764 7.764 7.918 -0.154 25910 2791 1 9 . 1 1 52 52 THR N N 52 112.742 112.742 110.201 2.541 25910 2792 1 9 . 1 1 52 52 THR HA H 52 5.437 5.437 4.920 0.517 25910 2793 1 9 . 1 1 52 52 THR C C 52 174.733 174.733 172.673 2.060 25910 2794 1 9 . 1 1 52 52 THR CA C 52 62.078 62.078 60.616 1.462 25910 2795 1 9 . 1 1 52 52 THR CB C 52 63.076 63.076 72.403 -9.328 25910 2796 1 9 . 1 1 52 52 THR H H 52 7.261 7.261 8.193 -0.931 25910 2797 1 9 . 1 1 53 53 PHE N N 53 132.937 132.937 123.069 9.868 25910 2798 1 9 . 1 1 53 53 PHE HA H 53 5.641 5.641 5.285 0.356 25910 2799 1 9 . 1 1 53 53 PHE C C 53 174.377 174.377 173.692 0.685 25910 2800 1 9 . 1 1 53 53 PHE CA C 53 56.995 56.995 56.349 0.646 25910 2801 1 9 . 1 1 53 53 PHE CB C 53 42.679 42.679 42.185 0.494 25910 2802 1 9 . 1 1 53 53 PHE H H 53 10.363 10.363 8.997 1.366 25910 2803 1 9 . 1 1 54 54 THR N N 54 119.069 119.069 123.395 -4.326 25910 2804 1 9 . 1 1 54 54 THR HA H 54 5.140 5.140 5.085 0.055 25910 2805 1 9 . 1 1 54 54 THR C C 54 172.417 172.417 173.344 -0.927 25910 2806 1 9 . 1 1 54 54 THR CA C 54 61.408 61.408 61.372 0.036 25910 2807 1 9 . 1 1 54 54 THR CB C 54 65.839 65.839 70.522 -4.683 25910 2808 1 9 . 1 1 54 54 THR H H 54 9.011 9.011 8.573 0.438 25910 2809 1 9 . 1 1 55 55 VAL N N 55 125.268 125.268 127.580 -2.312 25910 2810 1 9 . 1 1 55 55 VAL HA H 55 4.382 4.382 4.249 0.133 25910 2811 1 9 . 1 1 55 55 VAL CA C 55 57.834 57.834 60.401 -2.567 25910 2812 1 9 . 1 1 55 55 VAL CB C 55 32.223 32.223 30.409 1.814 25910 2813 1 9 . 1 1 55 55 VAL H H 55 8.122 8.122 8.865 -0.743 25910 2814 1 9 . 1 1 56 56 THR N N 56 125.548 125.548 124.811 0.737 25910 2815 1 9 . 1 1 56 56 THR C C 56 173.901 173.901 173.603 0.298 25910 2816 1 9 . 1 1 56 56 THR CA C 56 61.272 61.272 61.874 -0.602 25910 2817 1 9 . 1 1 56 56 THR H H 56 8.306 8.306 8.635 -0.329 25910 2818 1 10 . 1 1 2 2 GLY N N 2 113.750 113.750 107.632 6.118 25910 2819 1 10 . 1 1 2 2 GLY C C 2 176.605 176.605 172.161 4.444 25910 2820 1 10 . 1 1 2 2 GLY CA C 2 44.589 44.589 45.000 -0.411 25910 2821 1 10 . 1 1 2 2 GLY H H 2 8.454 8.454 8.770 -0.316 25910 2822 1 10 . 1 1 3 3 THR N N 3 118.182 118.182 117.560 0.622 25910 2823 1 10 . 1 1 3 3 THR HA H 3 4.594 4.594 4.534 0.060 25910 2824 1 10 . 1 1 3 3 THR C C 3 173.943 173.943 173.878 0.065 25910 2825 1 10 . 1 1 3 3 THR CA C 3 62.633 62.633 61.983 0.650 25910 2826 1 10 . 1 1 3 3 THR CB C 3 72.413 72.413 69.271 3.142 25910 2827 1 10 . 1 1 3 3 THR H H 3 8.076 8.076 8.251 -0.175 25910 2828 1 10 . 1 1 4 4 TYR N N 4 128.256 128.256 127.957 0.299 25910 2829 1 10 . 1 1 4 4 TYR HA H 4 5.271 5.271 4.674 0.597 25910 2830 1 10 . 1 1 4 4 TYR C C 4 174.213 174.213 175.091 -0.878 25910 2831 1 10 . 1 1 4 4 TYR CA C 4 56.625 56.625 57.782 -1.157 25910 2832 1 10 . 1 1 4 4 TYR CB C 4 42.657 42.657 38.426 4.231 25910 2833 1 10 . 1 1 4 4 TYR H H 4 9.273 9.273 8.786 0.487 25910 2834 1 10 . 1 1 5 5 LYS N N 5 124.678 124.678 126.753 -2.075 25910 2835 1 10 . 1 1 5 5 LYS HA H 5 5.169 5.169 4.616 0.553 25910 2836 1 10 . 1 1 5 5 LYS C C 5 172.616 172.616 174.880 -2.264 25910 2837 1 10 . 1 1 5 5 LYS CA C 5 54.875 54.875 55.988 -1.113 25910 2838 1 10 . 1 1 5 5 LYS CB C 5 28.908 28.908 33.050 -4.142 25910 2839 1 10 . 1 1 5 5 LYS H H 5 9.075 9.075 8.176 0.899 25910 2840 1 10 . 1 1 6 6 LEU N N 6 128.375 128.375 127.823 0.552 25910 2841 1 10 . 1 1 6 6 LEU HA H 6 4.839 4.839 4.942 -0.103 25910 2842 1 10 . 1 1 6 6 LEU C C 6 174.425 174.425 175.477 -1.052 25910 2843 1 10 . 1 1 6 6 LEU CA C 6 52.459 52.459 53.800 -1.341 25910 2844 1 10 . 1 1 6 6 LEU H H 6 8.541 8.541 8.385 0.156 25910 2845 1 10 . 1 1 7 7 ILE N N 7 128.123 128.123 126.267 1.856 25910 2846 1 10 . 1 1 7 7 ILE HA H 7 4.221 4.221 4.677 -0.456 25910 2847 1 10 . 1 1 7 7 ILE C C 7 174.566 174.566 174.273 0.293 25910 2848 1 10 . 1 1 7 7 ILE CA C 7 60.226 60.226 60.002 0.224 25910 2849 1 10 . 1 1 7 7 ILE CB C 7 37.977 37.977 40.705 -2.728 25910 2850 1 10 . 1 1 7 7 ILE H H 7 9.020 9.020 9.259 -0.239 25910 2851 1 10 . 1 1 8 8 LEU N N 8 127.628 127.628 128.581 -0.953 25910 2852 1 10 . 1 1 8 8 LEU HA H 8 4.383 4.383 4.343 0.040 25910 2853 1 10 . 1 1 8 8 LEU C C 8 174.640 174.640 174.981 -0.341 25910 2854 1 10 . 1 1 8 8 LEU CA C 8 54.428 54.428 54.145 0.283 25910 2855 1 10 . 1 1 8 8 LEU CB C 8 42.014 42.014 42.319 -0.305 25910 2856 1 10 . 1 1 8 8 LEU H H 8 8.640 8.640 8.890 -0.250 25910 2857 1 10 . 1 1 9 9 ASN N N 9 128.380 128.380 123.682 4.698 25910 2858 1 10 . 1 1 9 9 ASN HA H 9 5.214 5.214 4.896 0.318 25910 2859 1 10 . 1 1 9 9 ASN C C 9 175.683 175.683 174.463 1.220 25910 2860 1 10 . 1 1 9 9 ASN CA C 9 50.778 50.778 51.950 -1.171 25910 2861 1 10 . 1 1 9 9 ASN CB C 9 37.691 37.691 40.270 -2.579 25910 2862 1 10 . 1 1 9 9 ASN H H 9 8.830 8.830 8.763 0.067 25910 2863 1 10 . 1 1 10 10 GLY N N 10 111.563 111.563 109.754 1.809 25910 2864 1 10 . 1 1 10 10 GLY C C 10 173.311 173.311 174.218 -0.907 25910 2865 1 10 . 1 1 10 10 GLY CA C 10 44.735 44.735 44.160 0.575 25910 2866 1 10 . 1 1 10 10 GLY H H 10 7.831 7.831 8.093 -0.262 25910 2867 1 10 . 1 1 11 11 LYS N N 11 122.942 122.942 118.699 4.243 25910 2868 1 10 . 1 1 11 11 LYS HA H 11 3.990 3.990 4.339 -0.349 25910 2869 1 10 . 1 1 11 11 LYS C C 11 178.822 178.822 176.794 2.028 25910 2870 1 10 . 1 1 11 11 LYS CA C 11 58.885 58.885 57.735 1.150 25910 2871 1 10 . 1 1 11 11 LYS CB C 11 32.330 32.330 32.675 -0.345 25910 2872 1 10 . 1 1 11 11 LYS H H 11 9.419 9.419 8.630 0.789 25910 2873 1 10 . 1 1 12 12 THR N N 12 110.192 110.192 112.125 -1.933 25910 2874 1 10 . 1 1 12 12 THR HA H 12 4.312 4.312 4.339 -0.027 25910 2875 1 10 . 1 1 12 12 THR C C 12 173.575 173.575 173.414 0.161 25910 2876 1 10 . 1 1 12 12 THR CA C 12 61.517 61.517 62.677 -1.160 25910 2877 1 10 . 1 1 12 12 THR CB C 12 69.598 69.598 69.722 -0.125 25910 2878 1 10 . 1 1 12 12 THR H H 12 8.743 8.743 8.128 0.615 25910 2879 1 10 . 1 1 13 13 LEU N N 13 127.300 127.300 118.817 8.483 25910 2880 1 10 . 1 1 13 13 LEU HA H 13 4.401 4.401 4.927 -0.526 25910 2881 1 10 . 1 1 13 13 LEU C C 13 173.148 173.148 174.385 -1.237 25910 2882 1 10 . 1 1 13 13 LEU CA C 13 54.953 54.953 53.142 1.811 25910 2883 1 10 . 1 1 13 13 LEU CB C 13 43.166 43.166 44.324 -1.158 25910 2884 1 10 . 1 1 13 13 LEU H H 13 7.273 7.273 7.638 -0.365 25910 2885 1 10 . 1 1 14 14 LYS N N 14 125.544 125.544 118.731 6.813 25910 2886 1 10 . 1 1 14 14 LYS HA H 14 5.097 5.097 5.107 -0.010 25910 2887 1 10 . 1 1 14 14 LYS C C 14 176.255 176.255 175.246 1.009 25910 2888 1 10 . 1 1 14 14 LYS CA C 14 53.661 53.661 54.921 -1.260 25910 2889 1 10 . 1 1 14 14 LYS CB C 14 34.743 34.743 36.546 -1.803 25910 2890 1 10 . 1 1 14 14 LYS H H 14 8.062 8.062 8.270 -0.208 25910 2891 1 10 . 1 1 15 15 GLY N N 15 111.144 111.144 107.665 3.479 25910 2892 1 10 . 1 1 15 15 GLY C C 15 171.151 171.151 171.788 -0.637 25910 2893 1 10 . 1 1 15 15 GLY CA C 15 45.006 45.006 45.787 -0.781 25910 2894 1 10 . 1 1 15 15 GLY H H 15 8.349 8.349 8.205 0.144 25910 2895 1 10 . 1 1 16 16 GLU N N 16 120.581 120.581 122.105 -1.524 25910 2896 1 10 . 1 1 16 16 GLU HA H 16 5.546 5.546 5.377 0.169 25910 2897 1 10 . 1 1 16 16 GLU C C 16 175.034 175.034 175.197 -0.163 25910 2898 1 10 . 1 1 16 16 GLU CA C 16 54.528 54.528 55.281 -0.753 25910 2899 1 10 . 1 1 16 16 GLU CB C 16 33.817 33.817 32.212 1.605 25910 2900 1 10 . 1 1 16 16 GLU H H 16 8.346 8.346 8.556 -0.210 25910 2901 1 10 . 1 1 17 17 THR N N 17 117.658 117.658 118.179 -0.521 25910 2902 1 10 . 1 1 17 17 THR HA H 17 4.622 4.622 4.671 -0.049 25910 2903 1 10 . 1 1 17 17 THR C C 17 171.834 171.834 172.554 -0.720 25910 2904 1 10 . 1 1 17 17 THR CA C 17 60.610 60.610 59.972 0.638 25910 2905 1 10 . 1 1 17 17 THR CB C 17 69.030 69.030 71.142 -2.112 25910 2906 1 10 . 1 1 17 17 THR H H 17 8.636 8.636 8.879 -0.243 25910 2907 1 10 . 1 1 18 18 THR N N 18 113.707 113.707 115.928 -2.221 25910 2908 1 10 . 1 1 18 18 THR HA H 18 5.794 5.794 4.872 0.922 25910 2909 1 10 . 1 1 18 18 THR C C 18 173.871 173.871 173.140 0.731 25910 2910 1 10 . 1 1 18 18 THR CA C 18 59.750 59.750 61.880 -2.130 25910 2911 1 10 . 1 1 18 18 THR CB C 18 73.077 73.077 70.093 2.984 25910 2912 1 10 . 1 1 18 18 THR H H 18 7.970 7.970 8.451 -0.481 25910 2913 1 10 . 1 1 19 19 THR N N 19 116.670 116.670 122.761 -6.091 25910 2914 1 10 . 1 1 19 19 THR HA H 19 4.606 4.606 4.765 -0.159 25910 2915 1 10 . 1 1 19 19 THR C C 19 171.009 171.009 172.673 -1.664 25910 2916 1 10 . 1 1 19 19 THR CA C 19 62.179 62.179 61.864 0.315 25910 2917 1 10 . 1 1 19 19 THR CB C 19 70.463 70.463 71.408 -0.945 25910 2918 1 10 . 1 1 19 19 THR H H 19 9.018 9.018 8.411 0.607 25910 2919 1 10 . 1 1 20 20 GLU N N 20 126.491 126.491 125.131 1.360 25910 2920 1 10 . 1 1 20 20 GLU HA H 20 5.528 5.528 5.114 0.414 25910 2921 1 10 . 1 1 20 20 GLU C C 20 176.205 176.205 175.209 0.996 25910 2922 1 10 . 1 1 20 20 GLU CA C 20 54.574 54.574 55.561 -0.987 25910 2923 1 10 . 1 1 20 20 GLU CB C 20 30.757 30.757 30.991 -0.234 25910 2924 1 10 . 1 1 20 20 GLU H H 20 7.922 7.922 8.617 -0.695 25910 2925 1 10 . 1 1 21 21 ALA N N 21 126.835 126.835 126.729 0.106 25910 2926 1 10 . 1 1 21 21 ALA HA H 21 4.740 4.740 4.744 -0.004 25910 2927 1 10 . 1 1 21 21 ALA C C 21 177.223 177.223 175.635 1.588 25910 2928 1 10 . 1 1 21 21 ALA CA C 21 50.945 50.945 51.077 -0.132 25910 2929 1 10 . 1 1 21 21 ALA CB C 21 23.578 23.578 21.902 1.676 25910 2930 1 10 . 1 1 21 21 ALA H H 21 9.183 9.183 9.116 0.067 25910 2931 1 10 . 1 1 22 22 VAL N N 22 117.316 117.316 118.170 -0.854 25910 2932 1 10 . 1 1 22 22 VAL HA H 22 4.137 4.137 4.127 0.010 25910 2933 1 10 . 1 1 22 22 VAL C C 22 174.432 174.432 175.416 -0.984 25910 2934 1 10 . 1 1 22 22 VAL CA C 22 63.321 63.321 64.555 -1.234 25910 2935 1 10 . 1 1 22 22 VAL CB C 22 32.120 32.120 32.398 -0.278 25910 2936 1 10 . 1 1 22 22 VAL H H 22 8.519 8.519 8.580 -0.061 25910 2937 1 10 . 1 1 23 23 ASP N N 23 116.395 116.395 116.605 -0.210 25910 2938 1 10 . 1 1 23 23 ASP HA H 23 4.580 4.580 4.957 -0.377 25910 2939 1 10 . 1 1 23 23 ASP C C 23 174.391 174.391 175.303 -0.912 25910 2940 1 10 . 1 1 23 23 ASP CA C 23 52.345 52.345 53.167 -0.822 25910 2941 1 10 . 1 1 23 23 ASP CB C 23 42.149 42.149 44.146 -1.997 25910 2942 1 10 . 1 1 23 23 ASP H H 23 7.191 7.191 7.439 -0.248 25910 2943 1 10 . 1 1 24 24 ALA N N 24 123.019 123.019 123.268 -0.249 25910 2944 1 10 . 1 1 24 24 ALA HA H 24 3.349 3.349 2.944 0.405 25910 2945 1 10 . 1 1 24 24 ALA C C 24 179.001 179.001 178.363 0.638 25910 2946 1 10 . 1 1 24 24 ALA CA C 24 54.346 54.346 55.109 -0.763 25910 2947 1 10 . 1 1 24 24 ALA CB C 24 17.327 17.327 18.689 -1.362 25910 2948 1 10 . 1 1 24 24 ALA H H 24 8.315 8.315 8.579 -0.264 25910 2949 1 10 . 1 1 25 25 ALA N N 25 122.203 122.203 119.834 2.369 25910 2950 1 10 . 1 1 25 25 ALA HA H 25 3.891 3.891 4.268 -0.377 25910 2951 1 10 . 1 1 25 25 ALA C C 25 180.736 180.736 179.463 1.273 25910 2952 1 10 . 1 1 25 25 ALA CA C 25 54.646 54.646 54.495 0.152 25910 2953 1 10 . 1 1 25 25 ALA CB C 25 17.623 17.623 17.883 -0.260 25910 2954 1 10 . 1 1 25 25 ALA H H 25 7.982 7.982 8.346 -0.364 25910 2955 1 10 . 1 1 26 26 THR N N 26 118.231 118.231 115.718 2.513 25910 2956 1 10 . 1 1 26 26 THR HA H 26 3.973 3.973 3.929 0.044 25910 2957 1 10 . 1 1 26 26 THR C C 26 175.969 175.969 176.202 -0.233 25910 2958 1 10 . 1 1 26 26 THR CA C 26 66.690 66.690 66.353 0.337 25910 2959 1 10 . 1 1 26 26 THR CB C 26 66.977 66.977 68.567 -1.590 25910 2960 1 10 . 1 1 26 26 THR H H 26 8.258 8.258 7.492 0.766 25910 2961 1 10 . 1 1 27 27 ALA N N 27 125.522 125.522 124.429 1.093 25910 2962 1 10 . 1 1 27 27 ALA HA H 27 3.008 3.008 3.934 -0.926 25910 2963 1 10 . 1 1 27 27 ALA C C 27 176.928 176.928 179.041 -2.113 25910 2964 1 10 . 1 1 27 27 ALA CA C 27 54.544 54.544 55.600 -1.056 25910 2965 1 10 . 1 1 27 27 ALA CB C 27 17.299 17.299 18.100 -0.801 25910 2966 1 10 . 1 1 27 27 ALA H H 27 6.992 6.992 7.438 -0.446 25910 2967 1 10 . 1 1 28 28 GLU N N 28 118.584 118.584 118.326 0.258 25910 2968 1 10 . 1 1 28 28 GLU HA H 28 2.575 2.575 3.547 -0.972 25910 2969 1 10 . 1 1 28 28 GLU C C 28 177.127 177.127 178.488 -1.361 25910 2970 1 10 . 1 1 28 28 GLU CA C 28 59.522 59.522 59.400 0.122 25910 2971 1 10 . 1 1 28 28 GLU CB C 28 32.612 32.612 29.447 3.165 25910 2972 1 10 . 1 1 28 28 GLU H H 28 8.284 8.284 8.456 -0.172 25910 2973 1 10 . 1 1 29 29 LYS N N 29 118.504 118.504 118.192 0.312 25910 2974 1 10 . 1 1 29 29 LYS HA H 29 3.654 3.654 3.871 -0.217 25910 2975 1 10 . 1 1 29 29 LYS C C 29 179.844 179.844 179.302 0.542 25910 2976 1 10 . 1 1 29 29 LYS CA C 29 59.589 59.589 58.805 0.784 25910 2977 1 10 . 1 1 29 29 LYS CB C 29 32.200 32.200 32.423 -0.223 25910 2978 1 10 . 1 1 29 29 LYS H H 29 6.861 6.861 7.539 -0.678 25910 2979 1 10 . 1 1 30 30 VAL N N 30 122.501 122.501 119.716 2.785 25910 2980 1 10 . 1 1 30 30 VAL HA H 30 3.550 3.550 3.686 -0.136 25910 2981 1 10 . 1 1 30 30 VAL C C 30 179.643 179.643 178.241 1.402 25910 2982 1 10 . 1 1 30 30 VAL CA C 30 65.870 65.870 66.250 -0.380 25910 2983 1 10 . 1 1 30 30 VAL CB C 30 31.729 31.729 31.849 -0.120 25910 2984 1 10 . 1 1 30 30 VAL H H 30 7.203 7.203 8.074 -0.871 25910 2985 1 10 . 1 1 31 31 PHE N N 31 122.601 122.601 118.210 4.391 25910 2986 1 10 . 1 1 31 31 PHE C C 31 178.161 178.161 177.332 0.829 25910 2987 1 10 . 1 1 31 31 PHE CA C 31 55.903 55.903 60.217 -4.314 25910 2988 1 10 . 1 1 31 31 PHE H H 31 8.398 8.398 8.419 -0.021 25910 2989 1 10 . 1 1 32 32 LYS N N 32 124.739 124.739 121.300 3.439 25910 2990 1 10 . 1 1 32 32 LYS HA H 32 4.085 4.085 4.000 0.085 25910 2991 1 10 . 1 1 32 32 LYS C C 32 179.432 179.432 178.359 1.073 25910 2992 1 10 . 1 1 32 32 LYS CA C 32 59.714 59.714 60.362 -0.648 25910 2993 1 10 . 1 1 32 32 LYS CB C 32 31.660 31.660 31.951 -0.291 25910 2994 1 10 . 1 1 32 32 LYS H H 32 9.078 9.078 7.705 1.373 25910 2995 1 10 . 1 1 33 33 GLN N N 33 121.561 121.561 117.623 3.938 25910 2996 1 10 . 1 1 33 33 GLN HA H 33 3.986 3.986 3.989 -0.003 25910 2997 1 10 . 1 1 33 33 GLN C C 33 176.867 176.867 178.523 -1.656 25910 2998 1 10 . 1 1 33 33 GLN CA C 33 58.531 58.531 59.025 -0.494 25910 2999 1 10 . 1 1 33 33 GLN CB C 33 27.914 27.914 28.522 -0.608 25910 3000 1 10 . 1 1 33 33 GLN H H 33 7.325 7.325 7.783 -0.458 25910 3001 1 10 . 1 1 34 34 TYR N N 34 122.729 122.729 120.084 2.645 25910 3002 1 10 . 1 1 34 34 TYR HA H 34 4.206 4.206 4.243 -0.037 25910 3003 1 10 . 1 1 34 34 TYR C C 34 178.875 178.875 176.570 2.305 25910 3004 1 10 . 1 1 34 34 TYR CA C 34 61.673 61.673 60.399 1.274 25910 3005 1 10 . 1 1 34 34 TYR CB C 34 38.779 38.779 38.189 0.590 25910 3006 1 10 . 1 1 34 34 TYR H H 34 8.165 8.165 7.806 0.359 25910 3007 1 10 . 1 1 35 35 ALA N N 35 124.565 124.565 121.832 2.733 25910 3008 1 10 . 1 1 35 35 ALA HA H 35 3.754 3.754 3.512 0.242 25910 3009 1 10 . 1 1 35 35 ALA C C 35 174.251 174.251 179.591 -5.340 25910 3010 1 10 . 1 1 35 35 ALA CA C 35 56.260 56.260 54.846 1.414 25910 3011 1 10 . 1 1 35 35 ALA CB C 35 17.622 17.622 18.173 -0.551 25910 3012 1 10 . 1 1 35 35 ALA H H 35 9.126 9.126 7.985 1.141 25910 3013 1 10 . 1 1 36 36 ASN N N 36 119.406 119.406 117.521 1.885 25910 3014 1 10 . 1 1 36 36 ASN HA H 36 4.370 4.370 4.608 -0.238 25910 3015 1 10 . 1 1 36 36 ASN C C 36 179.225 179.225 178.002 1.223 25910 3016 1 10 . 1 1 36 36 ASN CA C 36 56.845 56.845 55.357 1.488 25910 3017 1 10 . 1 1 36 36 ASN CB C 36 38.724 38.724 38.584 0.140 25910 3018 1 10 . 1 1 36 36 ASN H H 36 8.156 8.156 8.106 0.050 25910 3019 1 10 . 1 1 37 37 ASP N N 37 123.289 123.289 119.506 3.783 25910 3020 1 10 . 1 1 37 37 ASP HA H 37 4.291 4.291 4.543 -0.252 25910 3021 1 10 . 1 1 37 37 ASP C C 37 176.917 176.917 177.283 -0.366 25910 3022 1 10 . 1 1 37 37 ASP CA C 37 56.791 56.791 55.967 0.824 25910 3023 1 10 . 1 1 37 37 ASP CB C 37 41.927 41.927 41.073 0.854 25910 3024 1 10 . 1 1 37 37 ASP H H 37 8.854 8.854 8.201 0.653 25910 3025 1 10 . 1 1 38 38 ASN N N 38 117.154 117.154 116.168 0.986 25910 3026 1 10 . 1 1 38 38 ASN HA H 38 4.528 4.528 4.845 -0.317 25910 3027 1 10 . 1 1 38 38 ASN C C 38 173.809 173.809 175.363 -1.554 25910 3028 1 10 . 1 1 38 38 ASN CA C 38 53.604 53.604 51.624 1.980 25910 3029 1 10 . 1 1 38 38 ASN H H 38 7.302 7.302 7.467 -0.165 25910 3030 1 10 . 1 1 39 39 GLY N N 39 109.931 109.931 108.348 1.583 25910 3031 1 10 . 1 1 39 39 GLY C C 39 177.482 177.482 173.408 4.074 25910 3032 1 10 . 1 1 39 39 GLY CA C 39 46.647 46.647 45.552 1.095 25910 3033 1 10 . 1 1 39 39 GLY H H 39 7.716 7.716 7.815 -0.099 25910 3034 1 10 . 1 1 40 40 VAL N N 40 122.793 122.793 119.078 3.715 25910 3035 1 10 . 1 1 40 40 VAL HA H 40 4.099 4.099 4.724 -0.625 25910 3036 1 10 . 1 1 40 40 VAL C C 40 173.752 173.752 174.070 -0.318 25910 3037 1 10 . 1 1 40 40 VAL CA C 40 61.738 61.738 60.321 1.417 25910 3038 1 10 . 1 1 40 40 VAL CB C 40 32.918 32.918 34.690 -1.772 25910 3039 1 10 . 1 1 40 40 VAL H H 40 8.027 8.027 7.847 0.180 25910 3040 1 10 . 1 1 41 41 ASP N N 41 129.935 129.935 126.044 3.891 25910 3041 1 10 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.783 0.042 25910 3042 1 10 . 1 1 41 41 ASP C C 41 174.270 174.270 174.752 -0.482 25910 3043 1 10 . 1 1 41 41 ASP CA C 41 52.473 52.473 53.963 -1.490 25910 3044 1 10 . 1 1 41 41 ASP CB C 41 42.513 42.513 43.245 -0.732 25910 3045 1 10 . 1 1 41 41 ASP H H 41 8.588 8.588 8.524 0.064 25910 3046 1 10 . 1 1 42 42 GLY N N 42 109.126 109.126 109.469 -0.343 25910 3047 1 10 . 1 1 42 42 GLY C C 42 171.778 171.778 173.218 -1.440 25910 3048 1 10 . 1 1 42 42 GLY CA C 42 45.243 45.243 43.822 1.421 25910 3049 1 10 . 1 1 42 42 GLY H H 42 7.672 7.672 7.833 -0.161 25910 3050 1 10 . 1 1 43 43 GLU N N 43 122.448 122.448 121.515 0.933 25910 3051 1 10 . 1 1 43 43 GLU HA H 43 4.628 4.628 4.428 0.200 25910 3052 1 10 . 1 1 43 43 GLU C C 43 176.874 176.874 176.731 0.143 25910 3053 1 10 . 1 1 43 43 GLU CA C 43 55.350 55.350 55.397 -0.047 25910 3054 1 10 . 1 1 43 43 GLU CB C 43 31.207 31.207 30.364 0.843 25910 3055 1 10 . 1 1 43 43 GLU H H 43 8.089 8.089 8.366 -0.277 25910 3056 1 10 . 1 1 44 44 TRP N N 44 130.232 130.232 128.549 1.683 25910 3057 1 10 . 1 1 44 44 TRP HA H 44 5.313 5.313 4.959 0.354 25910 3058 1 10 . 1 1 44 44 TRP C C 44 176.867 176.867 176.942 -0.075 25910 3059 1 10 . 1 1 44 44 TRP CA C 44 57.688 57.688 57.692 -0.004 25910 3060 1 10 . 1 1 44 44 TRP CB C 44 30.268 30.268 29.562 0.706 25910 3061 1 10 . 1 1 44 44 TRP H H 44 9.284 9.284 8.842 0.442 25910 3062 1 10 . 1 1 45 45 THR N N 45 116.544 116.544 120.313 -3.769 25910 3063 1 10 . 1 1 45 45 THR HA H 45 4.626 4.626 4.814 -0.188 25910 3064 1 10 . 1 1 45 45 THR C C 45 172.518 172.518 172.556 -0.038 25910 3065 1 10 . 1 1 45 45 THR CA C 45 60.392 60.392 61.490 -1.098 25910 3066 1 10 . 1 1 45 45 THR CB C 45 72.517 72.517 71.180 1.337 25910 3067 1 10 . 1 1 45 45 THR H H 45 9.192 9.192 9.124 0.068 25910 3068 1 10 . 1 1 46 46 TYR N N 46 122.420 122.420 122.320 0.100 25910 3069 1 10 . 1 1 46 46 TYR HA H 46 4.375 4.375 5.132 -0.757 25910 3070 1 10 . 1 1 46 46 TYR C C 46 173.077 173.077 174.556 -1.479 25910 3071 1 10 . 1 1 46 46 TYR CA C 46 56.663 56.663 55.219 1.444 25910 3072 1 10 . 1 1 46 46 TYR CB C 46 38.701 38.701 40.644 -1.943 25910 3073 1 10 . 1 1 46 46 TYR H H 46 8.512 8.512 7.987 0.525 25910 3074 1 10 . 1 1 47 47 ASP N N 47 130.329 130.329 123.065 7.264 25910 3075 1 10 . 1 1 47 47 ASP HA H 47 4.520 4.520 4.803 -0.283 25910 3076 1 10 . 1 1 47 47 ASP C C 47 174.266 174.266 176.029 -1.763 25910 3077 1 10 . 1 1 47 47 ASP CA C 47 51.864 51.864 52.416 -0.552 25910 3078 1 10 . 1 1 47 47 ASP CB C 47 42.670 42.670 42.542 0.128 25910 3079 1 10 . 1 1 47 47 ASP H H 47 7.613 7.613 8.729 -1.116 25910 3080 1 10 . 1 1 48 48 ASP N N 48 126.699 126.699 125.670 1.029 25910 3081 1 10 . 1 1 48 48 ASP HA H 48 4.019 4.019 4.391 -0.372 25910 3082 1 10 . 1 1 48 48 ASP C C 48 177.981 177.981 176.108 1.873 25910 3083 1 10 . 1 1 48 48 ASP CA C 48 56.198 56.198 55.894 0.304 25910 3084 1 10 . 1 1 48 48 ASP CB C 48 41.614 41.614 40.569 1.045 25910 3085 1 10 . 1 1 48 48 ASP H H 48 8.422 8.422 8.843 -0.421 25910 3086 1 10 . 1 1 49 49 ALA N N 49 121.819 121.819 122.427 -0.608 25910 3087 1 10 . 1 1 49 49 ALA HA H 49 4.021 4.021 4.233 -0.212 25910 3088 1 10 . 1 1 49 49 ALA C C 49 179.522 179.522 179.426 0.096 25910 3089 1 10 . 1 1 49 49 ALA CA C 49 54.829 54.829 54.019 0.810 25910 3090 1 10 . 1 1 49 49 ALA CB C 49 18.168 18.168 19.213 -1.045 25910 3091 1 10 . 1 1 49 49 ALA H H 49 8.202 8.202 7.843 0.359 25910 3092 1 10 . 1 1 50 50 THR N N 50 105.089 105.089 112.333 -7.244 25910 3093 1 10 . 1 1 50 50 THR HA H 50 4.318 4.318 4.230 0.088 25910 3094 1 10 . 1 1 50 50 THR C C 50 174.943 174.943 174.063 0.880 25910 3095 1 10 . 1 1 50 50 THR CA C 50 60.343 60.343 62.779 -2.436 25910 3096 1 10 . 1 1 50 50 THR CB C 50 69.532 69.532 69.183 0.348 25910 3097 1 10 . 1 1 50 50 THR H H 50 6.890 6.890 8.367 -1.477 25910 3098 1 10 . 1 1 51 51 LYS N N 51 125.512 125.512 117.170 8.342 25910 3099 1 10 . 1 1 51 51 LYS HA H 51 4.079 4.079 3.880 0.199 25910 3100 1 10 . 1 1 51 51 LYS C C 51 174.733 174.733 175.050 -0.317 25910 3101 1 10 . 1 1 51 51 LYS CA C 51 57.119 57.119 57.042 0.077 25910 3102 1 10 . 1 1 51 51 LYS CB C 51 33.975 33.975 29.744 4.231 25910 3103 1 10 . 1 1 51 51 LYS H H 51 7.764 7.764 7.681 0.083 25910 3104 1 10 . 1 1 52 52 THR N N 52 112.742 112.742 109.599 3.143 25910 3105 1 10 . 1 1 52 52 THR HA H 52 5.437 5.437 5.396 0.041 25910 3106 1 10 . 1 1 52 52 THR C C 52 174.733 174.733 172.951 1.782 25910 3107 1 10 . 1 1 52 52 THR CA C 52 62.078 62.078 60.114 1.964 25910 3108 1 10 . 1 1 52 52 THR CB C 52 63.076 63.076 72.366 -9.290 25910 3109 1 10 . 1 1 52 52 THR H H 52 7.261 7.261 8.073 -0.812 25910 3110 1 10 . 1 1 53 53 PHE N N 53 132.937 132.937 122.933 10.004 25910 3111 1 10 . 1 1 53 53 PHE HA H 53 5.641 5.641 5.521 0.120 25910 3112 1 10 . 1 1 53 53 PHE C C 53 174.377 174.377 173.711 0.666 25910 3113 1 10 . 1 1 53 53 PHE CA C 53 56.995 56.995 56.090 0.905 25910 3114 1 10 . 1 1 53 53 PHE CB C 53 42.679 42.679 43.178 -0.499 25910 3115 1 10 . 1 1 53 53 PHE H H 53 10.363 10.363 9.239 1.124 25910 3116 1 10 . 1 1 54 54 THR N N 54 119.069 119.069 123.419 -4.350 25910 3117 1 10 . 1 1 54 54 THR HA H 54 5.140 5.140 5.061 0.079 25910 3118 1 10 . 1 1 54 54 THR C C 54 172.417 172.417 173.295 -0.878 25910 3119 1 10 . 1 1 54 54 THR CA C 54 61.408 61.408 61.318 0.090 25910 3120 1 10 . 1 1 54 54 THR CB C 54 65.839 65.839 71.372 -5.533 25910 3121 1 10 . 1 1 54 54 THR H H 54 9.011 9.011 9.476 -0.465 25910 3122 1 10 . 1 1 55 55 VAL N N 55 125.268 125.268 128.010 -2.742 25910 3123 1 10 . 1 1 55 55 VAL HA H 55 4.382 4.382 4.256 0.126 25910 3124 1 10 . 1 1 55 55 VAL CA C 55 57.834 57.834 60.574 -2.740 25910 3125 1 10 . 1 1 55 55 VAL CB C 55 32.223 32.223 30.735 1.488 25910 3126 1 10 . 1 1 55 55 VAL H H 55 8.122 8.122 8.716 -0.594 25910 3127 1 10 . 1 1 56 56 THR N N 56 125.548 125.548 124.849 0.699 25910 3128 1 10 . 1 1 56 56 THR C C 56 173.901 173.901 173.728 0.173 25910 3129 1 10 . 1 1 56 56 THR CA C 56 61.272 61.272 62.443 -1.171 25910 3130 1 10 . 1 1 56 56 THR H H 56 8.306 8.306 8.324 -0.018 25910 3131 1 11 . 1 1 2 2 GLY N N 2 113.750 113.750 112.127 1.623 25910 3132 1 11 . 1 1 2 2 GLY C C 2 176.605 176.605 171.815 4.790 25910 3133 1 11 . 1 1 2 2 GLY CA C 2 44.589 44.589 45.552 -0.963 25910 3134 1 11 . 1 1 2 2 GLY H H 2 8.454 8.454 8.444 0.010 25910 3135 1 11 . 1 1 3 3 THR N N 3 118.182 118.182 117.258 0.924 25910 3136 1 11 . 1 1 3 3 THR HA H 3 4.594 4.594 4.485 0.109 25910 3137 1 11 . 1 1 3 3 THR C C 3 173.943 173.943 173.546 0.397 25910 3138 1 11 . 1 1 3 3 THR CA C 3 62.633 62.633 62.293 0.340 25910 3139 1 11 . 1 1 3 3 THR CB C 3 72.413 72.413 69.085 3.328 25910 3140 1 11 . 1 1 3 3 THR H H 3 8.076 8.076 8.155 -0.079 25910 3141 1 11 . 1 1 4 4 TYR N N 4 128.256 128.256 127.929 0.327 25910 3142 1 11 . 1 1 4 4 TYR HA H 4 5.271 5.271 4.704 0.567 25910 3143 1 11 . 1 1 4 4 TYR C C 4 174.213 174.213 175.160 -0.947 25910 3144 1 11 . 1 1 4 4 TYR CA C 4 56.625 56.625 57.456 -0.831 25910 3145 1 11 . 1 1 4 4 TYR CB C 4 42.657 42.657 39.017 3.640 25910 3146 1 11 . 1 1 4 4 TYR H H 4 9.273 9.273 8.333 0.940 25910 3147 1 11 . 1 1 5 5 LYS N N 5 124.678 124.678 126.096 -1.418 25910 3148 1 11 . 1 1 5 5 LYS HA H 5 5.169 5.169 4.456 0.713 25910 3149 1 11 . 1 1 5 5 LYS C C 5 172.616 172.616 174.729 -2.113 25910 3150 1 11 . 1 1 5 5 LYS CA C 5 54.875 54.875 56.461 -1.585 25910 3151 1 11 . 1 1 5 5 LYS CB C 5 28.908 28.908 33.556 -4.647 25910 3152 1 11 . 1 1 5 5 LYS H H 5 9.075 9.075 8.413 0.662 25910 3153 1 11 . 1 1 6 6 LEU N N 6 128.375 128.375 127.974 0.401 25910 3154 1 11 . 1 1 6 6 LEU HA H 6 4.839 4.839 5.321 -0.482 25910 3155 1 11 . 1 1 6 6 LEU C C 6 174.425 174.425 175.154 -0.729 25910 3156 1 11 . 1 1 6 6 LEU CA C 6 52.459 52.459 52.992 -0.533 25910 3157 1 11 . 1 1 6 6 LEU H H 6 8.541 8.541 8.250 0.291 25910 3158 1 11 . 1 1 7 7 ILE N N 7 128.123 128.123 126.974 1.149 25910 3159 1 11 . 1 1 7 7 ILE HA H 7 4.221 4.221 4.568 -0.347 25910 3160 1 11 . 1 1 7 7 ILE C C 7 174.566 174.566 173.986 0.580 25910 3161 1 11 . 1 1 7 7 ILE CA C 7 60.226 60.226 60.236 -0.010 25910 3162 1 11 . 1 1 7 7 ILE CB C 7 37.977 37.977 40.702 -2.725 25910 3163 1 11 . 1 1 7 7 ILE H H 7 9.020 9.020 8.975 0.045 25910 3164 1 11 . 1 1 8 8 LEU N N 8 127.628 127.628 128.425 -0.797 25910 3165 1 11 . 1 1 8 8 LEU HA H 8 4.383 4.383 4.418 -0.035 25910 3166 1 11 . 1 1 8 8 LEU C C 8 174.640 174.640 174.842 -0.202 25910 3167 1 11 . 1 1 8 8 LEU CA C 8 54.428 54.428 54.173 0.255 25910 3168 1 11 . 1 1 8 8 LEU CB C 8 42.014 42.014 43.408 -1.395 25910 3169 1 11 . 1 1 8 8 LEU H H 8 8.640 8.640 8.944 -0.304 25910 3170 1 11 . 1 1 9 9 ASN N N 9 128.380 128.380 124.668 3.712 25910 3171 1 11 . 1 1 9 9 ASN HA H 9 5.214 5.214 4.906 0.308 25910 3172 1 11 . 1 1 9 9 ASN C C 9 175.683 175.683 174.422 1.261 25910 3173 1 11 . 1 1 9 9 ASN CA C 9 50.778 50.778 51.873 -1.095 25910 3174 1 11 . 1 1 9 9 ASN CB C 9 37.691 37.691 40.168 -2.477 25910 3175 1 11 . 1 1 9 9 ASN H H 9 8.830 8.830 8.899 -0.069 25910 3176 1 11 . 1 1 10 10 GLY N N 10 111.563 111.563 110.047 1.516 25910 3177 1 11 . 1 1 10 10 GLY C C 10 173.311 173.311 174.242 -0.931 25910 3178 1 11 . 1 1 10 10 GLY CA C 10 44.735 44.735 44.190 0.545 25910 3179 1 11 . 1 1 10 10 GLY H H 10 7.831 7.831 8.139 -0.308 25910 3180 1 11 . 1 1 11 11 LYS N N 11 122.942 122.942 120.184 2.758 25910 3181 1 11 . 1 1 11 11 LYS HA H 11 3.990 3.990 4.331 -0.341 25910 3182 1 11 . 1 1 11 11 LYS C C 11 178.822 178.822 176.581 2.241 25910 3183 1 11 . 1 1 11 11 LYS CA C 11 58.885 58.885 57.630 1.254 25910 3184 1 11 . 1 1 11 11 LYS CB C 11 32.330 32.330 32.279 0.051 25910 3185 1 11 . 1 1 11 11 LYS H H 11 9.419 9.419 8.613 0.806 25910 3186 1 11 . 1 1 12 12 THR N N 12 110.192 110.192 112.208 -2.016 25910 3187 1 11 . 1 1 12 12 THR HA H 12 4.312 4.312 4.319 -0.007 25910 3188 1 11 . 1 1 12 12 THR C C 12 173.575 173.575 173.475 0.100 25910 3189 1 11 . 1 1 12 12 THR CA C 12 61.517 61.517 63.364 -1.847 25910 3190 1 11 . 1 1 12 12 THR CB C 12 69.598 69.598 69.870 -0.272 25910 3191 1 11 . 1 1 12 12 THR H H 12 8.743 8.743 8.193 0.550 25910 3192 1 11 . 1 1 13 13 LEU N N 13 127.300 127.300 118.873 8.427 25910 3193 1 11 . 1 1 13 13 LEU HA H 13 4.401 4.401 4.922 -0.521 25910 3194 1 11 . 1 1 13 13 LEU C C 13 173.148 173.148 174.272 -1.124 25910 3195 1 11 . 1 1 13 13 LEU CA C 13 54.953 54.953 53.198 1.755 25910 3196 1 11 . 1 1 13 13 LEU CB C 13 43.166 43.166 44.447 -1.282 25910 3197 1 11 . 1 1 13 13 LEU H H 13 7.273 7.273 7.479 -0.206 25910 3198 1 11 . 1 1 14 14 LYS N N 14 125.544 125.544 118.445 7.099 25910 3199 1 11 . 1 1 14 14 LYS HA H 14 5.097 5.097 5.078 0.019 25910 3200 1 11 . 1 1 14 14 LYS C C 14 176.255 176.255 175.677 0.578 25910 3201 1 11 . 1 1 14 14 LYS CA C 14 53.661 53.661 54.777 -1.116 25910 3202 1 11 . 1 1 14 14 LYS CB C 14 34.743 34.743 36.172 -1.429 25910 3203 1 11 . 1 1 14 14 LYS H H 14 8.062 8.062 8.161 -0.099 25910 3204 1 11 . 1 1 15 15 GLY N N 15 111.144 111.144 107.180 3.964 25910 3205 1 11 . 1 1 15 15 GLY C C 15 171.151 171.151 172.037 -0.886 25910 3206 1 11 . 1 1 15 15 GLY CA C 15 45.006 45.006 45.258 -0.252 25910 3207 1 11 . 1 1 15 15 GLY H H 15 8.349 8.349 8.365 -0.016 25910 3208 1 11 . 1 1 16 16 GLU N N 16 120.581 120.581 121.688 -1.107 25910 3209 1 11 . 1 1 16 16 GLU HA H 16 5.546 5.546 5.372 0.174 25910 3210 1 11 . 1 1 16 16 GLU C C 16 175.034 175.034 175.257 -0.223 25910 3211 1 11 . 1 1 16 16 GLU CA C 16 54.528 54.528 55.276 -0.749 25910 3212 1 11 . 1 1 16 16 GLU CB C 16 33.817 33.817 33.145 0.672 25910 3213 1 11 . 1 1 16 16 GLU H H 16 8.346 8.346 8.462 -0.116 25910 3214 1 11 . 1 1 17 17 THR N N 17 117.658 117.658 118.036 -0.378 25910 3215 1 11 . 1 1 17 17 THR HA H 17 4.622 4.622 4.718 -0.096 25910 3216 1 11 . 1 1 17 17 THR C C 17 171.834 171.834 172.800 -0.966 25910 3217 1 11 . 1 1 17 17 THR CA C 17 60.610 60.610 60.827 -0.217 25910 3218 1 11 . 1 1 17 17 THR CB C 17 69.030 69.030 71.369 -2.339 25910 3219 1 11 . 1 1 17 17 THR H H 17 8.636 8.636 8.768 -0.132 25910 3220 1 11 . 1 1 18 18 THR N N 18 113.707 113.707 115.065 -1.358 25910 3221 1 11 . 1 1 18 18 THR HA H 18 5.794 5.794 4.754 1.040 25910 3222 1 11 . 1 1 18 18 THR C C 18 173.871 173.871 173.178 0.693 25910 3223 1 11 . 1 1 18 18 THR CA C 18 59.750 59.750 61.490 -1.740 25910 3224 1 11 . 1 1 18 18 THR CB C 18 73.077 73.077 69.788 3.289 25910 3225 1 11 . 1 1 18 18 THR H H 18 7.970 7.970 8.525 -0.555 25910 3226 1 11 . 1 1 19 19 THR N N 19 116.670 116.670 122.261 -5.591 25910 3227 1 11 . 1 1 19 19 THR HA H 19 4.606 4.606 4.688 -0.082 25910 3228 1 11 . 1 1 19 19 THR C C 19 171.009 171.009 172.556 -1.547 25910 3229 1 11 . 1 1 19 19 THR CA C 19 62.179 62.179 61.721 0.458 25910 3230 1 11 . 1 1 19 19 THR CB C 19 70.463 70.463 71.301 -0.838 25910 3231 1 11 . 1 1 19 19 THR H H 19 9.018 9.018 8.498 0.520 25910 3232 1 11 . 1 1 20 20 GLU N N 20 126.491 126.491 124.569 1.922 25910 3233 1 11 . 1 1 20 20 GLU HA H 20 5.528 5.528 4.924 0.604 25910 3234 1 11 . 1 1 20 20 GLU C C 20 176.205 176.205 175.292 0.913 25910 3235 1 11 . 1 1 20 20 GLU CA C 20 54.574 54.574 55.121 -0.547 25910 3236 1 11 . 1 1 20 20 GLU CB C 20 30.757 30.757 31.049 -0.292 25910 3237 1 11 . 1 1 20 20 GLU H H 20 7.922 7.922 8.507 -0.585 25910 3238 1 11 . 1 1 21 21 ALA N N 21 126.835 126.835 126.045 0.790 25910 3239 1 11 . 1 1 21 21 ALA HA H 21 4.740 4.740 4.636 0.104 25910 3240 1 11 . 1 1 21 21 ALA C C 21 177.223 177.223 176.447 0.776 25910 3241 1 11 . 1 1 21 21 ALA CA C 21 50.945 50.945 51.227 -0.282 25910 3242 1 11 . 1 1 21 21 ALA CB C 21 23.578 23.578 21.240 2.338 25910 3243 1 11 . 1 1 21 21 ALA H H 21 9.183 9.183 8.396 0.787 25910 3244 1 11 . 1 1 22 22 VAL N N 22 117.316 117.316 118.589 -1.273 25910 3245 1 11 . 1 1 22 22 VAL HA H 22 4.137 4.137 3.948 0.189 25910 3246 1 11 . 1 1 22 22 VAL C C 22 174.432 174.432 174.756 -0.324 25910 3247 1 11 . 1 1 22 22 VAL CA C 22 63.321 63.321 64.629 -1.308 25910 3248 1 11 . 1 1 22 22 VAL CB C 22 32.120 32.120 32.256 -0.136 25910 3249 1 11 . 1 1 22 22 VAL H H 22 8.519 8.519 8.330 0.189 25910 3250 1 11 . 1 1 23 23 ASP N N 23 116.395 116.395 113.928 2.467 25910 3251 1 11 . 1 1 23 23 ASP HA H 23 4.580 4.580 4.799 -0.219 25910 3252 1 11 . 1 1 23 23 ASP C C 23 174.391 174.391 175.451 -1.060 25910 3253 1 11 . 1 1 23 23 ASP CA C 23 52.345 52.345 53.480 -1.135 25910 3254 1 11 . 1 1 23 23 ASP CB C 23 42.149 42.149 42.682 -0.533 25910 3255 1 11 . 1 1 23 23 ASP H H 23 7.191 7.191 7.713 -0.522 25910 3256 1 11 . 1 1 24 24 ALA N N 24 123.019 123.019 124.132 -1.113 25910 3257 1 11 . 1 1 24 24 ALA HA H 24 3.349 3.349 3.851 -0.502 25910 3258 1 11 . 1 1 24 24 ALA C C 24 179.001 179.001 178.450 0.551 25910 3259 1 11 . 1 1 24 24 ALA CA C 24 54.346 54.346 55.589 -1.243 25910 3260 1 11 . 1 1 24 24 ALA CB C 24 17.327 17.327 18.780 -1.453 25910 3261 1 11 . 1 1 24 24 ALA H H 24 8.315 8.315 8.942 -0.627 25910 3262 1 11 . 1 1 25 25 ALA N N 25 122.203 122.203 119.997 2.206 25910 3263 1 11 . 1 1 25 25 ALA HA H 25 3.891 3.891 4.141 -0.250 25910 3264 1 11 . 1 1 25 25 ALA C C 25 180.736 180.736 179.504 1.232 25910 3265 1 11 . 1 1 25 25 ALA CA C 25 54.646 54.646 54.953 -0.307 25910 3266 1 11 . 1 1 25 25 ALA CB C 25 17.623 17.623 17.923 -0.300 25910 3267 1 11 . 1 1 25 25 ALA H H 25 7.982 7.982 8.573 -0.591 25910 3268 1 11 . 1 1 26 26 THR N N 26 118.231 118.231 115.611 2.620 25910 3269 1 11 . 1 1 26 26 THR HA H 26 3.973 3.973 3.901 0.072 25910 3270 1 11 . 1 1 26 26 THR C C 26 175.969 175.969 176.416 -0.447 25910 3271 1 11 . 1 1 26 26 THR CA C 26 66.690 66.690 66.162 0.528 25910 3272 1 11 . 1 1 26 26 THR CB C 26 66.977 66.977 68.457 -1.480 25910 3273 1 11 . 1 1 26 26 THR H H 26 8.258 8.258 7.548 0.710 25910 3274 1 11 . 1 1 27 27 ALA N N 27 125.522 125.522 123.975 1.547 25910 3275 1 11 . 1 1 27 27 ALA HA H 27 3.008 3.008 3.937 -0.929 25910 3276 1 11 . 1 1 27 27 ALA C C 27 176.928 176.928 179.243 -2.315 25910 3277 1 11 . 1 1 27 27 ALA CA C 27 54.544 54.544 55.410 -0.867 25910 3278 1 11 . 1 1 27 27 ALA CB C 27 17.299 17.299 17.881 -0.583 25910 3279 1 11 . 1 1 27 27 ALA H H 27 6.992 6.992 7.864 -0.872 25910 3280 1 11 . 1 1 28 28 GLU N N 28 118.584 118.584 118.511 0.073 25910 3281 1 11 . 1 1 28 28 GLU HA H 28 2.575 2.575 3.900 -1.325 25910 3282 1 11 . 1 1 28 28 GLU C C 28 177.127 177.127 178.499 -1.372 25910 3283 1 11 . 1 1 28 28 GLU CA C 28 59.522 59.522 59.408 0.114 25910 3284 1 11 . 1 1 28 28 GLU CB C 28 32.612 32.612 29.374 3.238 25910 3285 1 11 . 1 1 28 28 GLU H H 28 8.284 8.284 8.249 0.035 25910 3286 1 11 . 1 1 29 29 LYS N N 29 118.504 118.504 119.166 -0.662 25910 3287 1 11 . 1 1 29 29 LYS HA H 29 3.654 3.654 3.864 -0.210 25910 3288 1 11 . 1 1 29 29 LYS C C 29 179.844 179.844 179.195 0.649 25910 3289 1 11 . 1 1 29 29 LYS CA C 29 59.589 59.589 59.118 0.471 25910 3290 1 11 . 1 1 29 29 LYS CB C 29 32.200 32.200 32.364 -0.164 25910 3291 1 11 . 1 1 29 29 LYS H H 29 6.861 6.861 7.906 -1.045 25910 3292 1 11 . 1 1 30 30 VAL N N 30 122.501 122.501 118.597 3.904 25910 3293 1 11 . 1 1 30 30 VAL HA H 30 3.550 3.550 3.743 -0.193 25910 3294 1 11 . 1 1 30 30 VAL C C 30 179.643 179.643 178.550 1.093 25910 3295 1 11 . 1 1 30 30 VAL CA C 30 65.870 65.870 65.977 -0.107 25910 3296 1 11 . 1 1 30 30 VAL CB C 30 31.729 31.729 31.566 0.163 25910 3297 1 11 . 1 1 30 30 VAL H H 30 7.203 7.203 8.090 -0.887 25910 3298 1 11 . 1 1 31 31 PHE N N 31 122.601 122.601 119.059 3.542 25910 3299 1 11 . 1 1 31 31 PHE C C 31 178.161 178.161 177.512 0.649 25910 3300 1 11 . 1 1 31 31 PHE CA C 31 55.903 55.903 60.186 -4.283 25910 3301 1 11 . 1 1 31 31 PHE H H 31 8.398 8.398 8.620 -0.222 25910 3302 1 11 . 1 1 32 32 LYS N N 32 124.739 124.739 120.784 3.955 25910 3303 1 11 . 1 1 32 32 LYS HA H 32 4.085 4.085 4.233 -0.148 25910 3304 1 11 . 1 1 32 32 LYS C C 32 179.432 179.432 178.760 0.672 25910 3305 1 11 . 1 1 32 32 LYS CA C 32 59.714 59.714 59.663 0.051 25910 3306 1 11 . 1 1 32 32 LYS CB C 32 31.660 31.660 31.912 -0.252 25910 3307 1 11 . 1 1 32 32 LYS H H 32 9.078 9.078 8.076 1.002 25910 3308 1 11 . 1 1 33 33 GLN N N 33 121.561 121.561 118.747 2.814 25910 3309 1 11 . 1 1 33 33 GLN HA H 33 3.986 3.986 4.041 -0.055 25910 3310 1 11 . 1 1 33 33 GLN C C 33 176.867 176.867 178.185 -1.318 25910 3311 1 11 . 1 1 33 33 GLN CA C 33 58.531 58.531 59.094 -0.563 25910 3312 1 11 . 1 1 33 33 GLN CB C 33 27.914 27.914 28.713 -0.799 25910 3313 1 11 . 1 1 33 33 GLN H H 33 7.325 7.325 7.982 -0.657 25910 3314 1 11 . 1 1 34 34 TYR N N 34 122.729 122.729 120.921 1.808 25910 3315 1 11 . 1 1 34 34 TYR HA H 34 4.206 4.206 4.205 0.001 25910 3316 1 11 . 1 1 34 34 TYR C C 34 178.875 178.875 177.221 1.654 25910 3317 1 11 . 1 1 34 34 TYR CA C 34 61.673 61.673 60.635 1.038 25910 3318 1 11 . 1 1 34 34 TYR CB C 34 38.779 38.779 38.143 0.636 25910 3319 1 11 . 1 1 34 34 TYR H H 34 8.165 8.165 8.236 -0.071 25910 3320 1 11 . 1 1 35 35 ALA N N 35 124.565 124.565 120.215 4.350 25910 3321 1 11 . 1 1 35 35 ALA HA H 35 3.754 3.754 3.505 0.249 25910 3322 1 11 . 1 1 35 35 ALA C C 35 174.251 174.251 179.601 -5.350 25910 3323 1 11 . 1 1 35 35 ALA CA C 35 56.260 56.260 54.980 1.280 25910 3324 1 11 . 1 1 35 35 ALA CB C 35 17.622 17.622 18.132 -0.510 25910 3325 1 11 . 1 1 35 35 ALA H H 35 9.126 9.126 8.530 0.596 25910 3326 1 11 . 1 1 36 36 ASN N N 36 119.406 119.406 117.251 2.155 25910 3327 1 11 . 1 1 36 36 ASN HA H 36 4.370 4.370 4.484 -0.114 25910 3328 1 11 . 1 1 36 36 ASN C C 36 179.225 179.225 178.016 1.209 25910 3329 1 11 . 1 1 36 36 ASN CA C 36 56.845 56.845 56.150 0.695 25910 3330 1 11 . 1 1 36 36 ASN CB C 36 38.724 38.724 38.661 0.063 25910 3331 1 11 . 1 1 36 36 ASN H H 36 8.156 8.156 8.146 0.010 25910 3332 1 11 . 1 1 37 37 ASP N N 37 123.289 123.289 119.237 4.052 25910 3333 1 11 . 1 1 37 37 ASP HA H 37 4.291 4.291 4.619 -0.328 25910 3334 1 11 . 1 1 37 37 ASP C C 37 176.917 176.917 177.126 -0.209 25910 3335 1 11 . 1 1 37 37 ASP CA C 37 56.791 56.791 55.718 1.073 25910 3336 1 11 . 1 1 37 37 ASP CB C 37 41.927 41.927 41.090 0.837 25910 3337 1 11 . 1 1 37 37 ASP H H 37 8.854 8.854 8.493 0.361 25910 3338 1 11 . 1 1 38 38 ASN N N 38 117.154 117.154 116.496 0.658 25910 3339 1 11 . 1 1 38 38 ASN HA H 38 4.528 4.528 4.819 -0.291 25910 3340 1 11 . 1 1 38 38 ASN C C 38 173.809 173.809 175.161 -1.352 25910 3341 1 11 . 1 1 38 38 ASN CA C 38 53.604 53.604 52.178 1.426 25910 3342 1 11 . 1 1 38 38 ASN H H 38 7.302 7.302 7.501 -0.199 25910 3343 1 11 . 1 1 39 39 GLY N N 39 109.931 109.931 108.489 1.442 25910 3344 1 11 . 1 1 39 39 GLY C C 39 177.482 177.482 173.116 4.366 25910 3345 1 11 . 1 1 39 39 GLY CA C 39 46.647 46.647 45.513 1.134 25910 3346 1 11 . 1 1 39 39 GLY H H 39 7.716 7.716 7.545 0.171 25910 3347 1 11 . 1 1 40 40 VAL N N 40 122.793 122.793 118.932 3.861 25910 3348 1 11 . 1 1 40 40 VAL HA H 40 4.099 4.099 4.845 -0.746 25910 3349 1 11 . 1 1 40 40 VAL C C 40 173.752 173.752 173.819 -0.067 25910 3350 1 11 . 1 1 40 40 VAL CA C 40 61.738 61.738 59.866 1.872 25910 3351 1 11 . 1 1 40 40 VAL CB C 40 32.918 32.918 34.587 -1.669 25910 3352 1 11 . 1 1 40 40 VAL H H 40 8.027 8.027 7.734 0.293 25910 3353 1 11 . 1 1 41 41 ASP N N 41 129.935 129.935 124.401 5.534 25910 3354 1 11 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.796 0.029 25910 3355 1 11 . 1 1 41 41 ASP C C 41 174.270 174.270 174.732 -0.462 25910 3356 1 11 . 1 1 41 41 ASP CA C 41 52.473 52.473 54.059 -1.586 25910 3357 1 11 . 1 1 41 41 ASP CB C 41 42.513 42.513 43.366 -0.853 25910 3358 1 11 . 1 1 41 41 ASP H H 41 8.588 8.588 8.416 0.172 25910 3359 1 11 . 1 1 42 42 GLY N N 42 109.126 109.126 109.380 -0.254 25910 3360 1 11 . 1 1 42 42 GLY C C 42 171.778 171.778 173.335 -1.557 25910 3361 1 11 . 1 1 42 42 GLY CA C 42 45.243 45.243 43.978 1.265 25910 3362 1 11 . 1 1 42 42 GLY H H 42 7.672 7.672 7.786 -0.114 25910 3363 1 11 . 1 1 43 43 GLU N N 43 122.448 122.448 121.127 1.321 25910 3364 1 11 . 1 1 43 43 GLU HA H 43 4.628 4.628 4.352 0.276 25910 3365 1 11 . 1 1 43 43 GLU C C 43 176.874 176.874 176.736 0.138 25910 3366 1 11 . 1 1 43 43 GLU CA C 43 55.350 55.350 55.075 0.275 25910 3367 1 11 . 1 1 43 43 GLU CB C 43 31.207 31.207 29.898 1.309 25910 3368 1 11 . 1 1 43 43 GLU H H 43 8.089 8.089 8.150 -0.061 25910 3369 1 11 . 1 1 44 44 TRP N N 44 130.232 130.232 128.644 1.588 25910 3370 1 11 . 1 1 44 44 TRP HA H 44 5.313 5.313 4.883 0.430 25910 3371 1 11 . 1 1 44 44 TRP C C 44 176.867 176.867 176.806 0.061 25910 3372 1 11 . 1 1 44 44 TRP CA C 44 57.688 57.688 57.518 0.170 25910 3373 1 11 . 1 1 44 44 TRP CB C 44 30.268 30.268 28.889 1.379 25910 3374 1 11 . 1 1 44 44 TRP H H 44 9.284 9.284 8.779 0.505 25910 3375 1 11 . 1 1 45 45 THR N N 45 116.544 116.544 119.991 -3.447 25910 3376 1 11 . 1 1 45 45 THR HA H 45 4.626 4.626 4.693 -0.067 25910 3377 1 11 . 1 1 45 45 THR C C 45 172.518 172.518 172.211 0.307 25910 3378 1 11 . 1 1 45 45 THR CA C 45 60.392 60.392 61.099 -0.707 25910 3379 1 11 . 1 1 45 45 THR CB C 45 72.517 72.517 71.158 1.359 25910 3380 1 11 . 1 1 45 45 THR H H 45 9.192 9.192 8.570 0.622 25910 3381 1 11 . 1 1 46 46 TYR N N 46 122.420 122.420 120.140 2.280 25910 3382 1 11 . 1 1 46 46 TYR HA H 46 4.375 4.375 4.998 -0.623 25910 3383 1 11 . 1 1 46 46 TYR C C 46 173.077 173.077 173.840 -0.763 25910 3384 1 11 . 1 1 46 46 TYR CA C 46 56.663 56.663 55.069 1.594 25910 3385 1 11 . 1 1 46 46 TYR CB C 46 38.701 38.701 41.253 -2.552 25910 3386 1 11 . 1 1 46 46 TYR H H 46 8.512 8.512 7.880 0.632 25910 3387 1 11 . 1 1 47 47 ASP N N 47 130.329 130.329 122.844 7.485 25910 3388 1 11 . 1 1 47 47 ASP HA H 47 4.520 4.520 4.695 -0.175 25910 3389 1 11 . 1 1 47 47 ASP C C 47 174.266 174.266 175.964 -1.698 25910 3390 1 11 . 1 1 47 47 ASP CA C 47 51.864 51.864 52.379 -0.515 25910 3391 1 11 . 1 1 47 47 ASP CB C 47 42.670 42.670 43.166 -0.496 25910 3392 1 11 . 1 1 47 47 ASP H H 47 7.613 7.613 8.754 -1.141 25910 3393 1 11 . 1 1 48 48 ASP N N 48 126.699 126.699 126.186 0.513 25910 3394 1 11 . 1 1 48 48 ASP HA H 48 4.019 4.019 4.595 -0.576 25910 3395 1 11 . 1 1 48 48 ASP C C 48 177.981 177.981 177.123 0.858 25910 3396 1 11 . 1 1 48 48 ASP CA C 48 56.198 56.198 56.315 -0.117 25910 3397 1 11 . 1 1 48 48 ASP CB C 48 41.614 41.614 40.946 0.668 25910 3398 1 11 . 1 1 48 48 ASP H H 48 8.422 8.422 8.744 -0.322 25910 3399 1 11 . 1 1 49 49 ALA N N 49 121.819 121.819 122.682 -0.863 25910 3400 1 11 . 1 1 49 49 ALA HA H 49 4.021 4.021 4.353 -0.332 25910 3401 1 11 . 1 1 49 49 ALA C C 49 179.522 179.522 179.397 0.125 25910 3402 1 11 . 1 1 49 49 ALA CA C 49 54.829 54.829 54.797 0.032 25910 3403 1 11 . 1 1 49 49 ALA CB C 49 18.168 18.168 18.628 -0.460 25910 3404 1 11 . 1 1 49 49 ALA H H 49 8.202 8.202 8.463 -0.261 25910 3405 1 11 . 1 1 50 50 THR N N 50 105.089 105.089 113.453 -8.364 25910 3406 1 11 . 1 1 50 50 THR HA H 50 4.318 4.318 4.255 0.063 25910 3407 1 11 . 1 1 50 50 THR C C 50 174.943 174.943 174.387 0.556 25910 3408 1 11 . 1 1 50 50 THR CA C 50 60.343 60.343 62.999 -2.656 25910 3409 1 11 . 1 1 50 50 THR CB C 50 69.532 69.532 69.369 0.163 25910 3410 1 11 . 1 1 50 50 THR H H 50 6.890 6.890 8.451 -1.561 25910 3411 1 11 . 1 1 51 51 LYS N N 51 125.512 125.512 115.956 9.556 25910 3412 1 11 . 1 1 51 51 LYS HA H 51 4.079 4.079 4.085 -0.006 25910 3413 1 11 . 1 1 51 51 LYS C C 51 174.733 174.733 175.148 -0.415 25910 3414 1 11 . 1 1 51 51 LYS CA C 51 57.119 57.119 57.233 -0.114 25910 3415 1 11 . 1 1 51 51 LYS CB C 51 33.975 33.975 29.578 4.397 25910 3416 1 11 . 1 1 51 51 LYS H H 51 7.764 7.764 7.935 -0.171 25910 3417 1 11 . 1 1 52 52 THR N N 52 112.742 112.742 109.366 3.376 25910 3418 1 11 . 1 1 52 52 THR HA H 52 5.437 5.437 5.447 -0.010 25910 3419 1 11 . 1 1 52 52 THR C C 52 174.733 174.733 173.083 1.650 25910 3420 1 11 . 1 1 52 52 THR CA C 52 62.078 62.078 60.247 1.831 25910 3421 1 11 . 1 1 52 52 THR CB C 52 63.076 63.076 72.471 -9.395 25910 3422 1 11 . 1 1 52 52 THR H H 52 7.261 7.261 8.176 -0.915 25910 3423 1 11 . 1 1 53 53 PHE N N 53 132.937 132.937 122.642 10.295 25910 3424 1 11 . 1 1 53 53 PHE HA H 53 5.641 5.641 5.369 0.272 25910 3425 1 11 . 1 1 53 53 PHE C C 53 174.377 174.377 174.143 0.234 25910 3426 1 11 . 1 1 53 53 PHE CA C 53 56.995 56.995 56.959 0.036 25910 3427 1 11 . 1 1 53 53 PHE CB C 53 42.679 42.679 42.958 -0.279 25910 3428 1 11 . 1 1 53 53 PHE H H 53 10.363 10.363 9.393 0.970 25910 3429 1 11 . 1 1 54 54 THR N N 54 119.069 119.069 122.735 -3.666 25910 3430 1 11 . 1 1 54 54 THR HA H 54 5.140 5.140 5.105 0.035 25910 3431 1 11 . 1 1 54 54 THR C C 54 172.417 172.417 173.562 -1.145 25910 3432 1 11 . 1 1 54 54 THR CA C 54 61.408 61.408 61.084 0.324 25910 3433 1 11 . 1 1 54 54 THR CB C 54 65.839 65.839 70.797 -4.958 25910 3434 1 11 . 1 1 54 54 THR H H 54 9.011 9.011 8.962 0.049 25910 3435 1 11 . 1 1 55 55 VAL N N 55 125.268 125.268 127.597 -2.329 25910 3436 1 11 . 1 1 55 55 VAL HA H 55 4.382 4.382 3.867 0.515 25910 3437 1 11 . 1 1 55 55 VAL CA C 55 57.834 57.834 60.968 -3.134 25910 3438 1 11 . 1 1 55 55 VAL CB C 55 32.223 32.223 30.153 2.070 25910 3439 1 11 . 1 1 55 55 VAL H H 55 8.122 8.122 8.683 -0.561 25910 3440 1 11 . 1 1 56 56 THR N N 56 125.548 125.548 124.847 0.701 25910 3441 1 11 . 1 1 56 56 THR C C 56 173.901 173.901 173.617 0.284 25910 3442 1 11 . 1 1 56 56 THR CA C 56 61.272 61.272 62.388 -1.116 25910 3443 1 11 . 1 1 56 56 THR H H 56 8.306 8.306 7.955 0.351 25910 3444 1 12 . 1 1 2 2 GLY N N 2 113.750 113.750 109.755 3.995 25910 3445 1 12 . 1 1 2 2 GLY C C 2 176.605 176.605 172.615 3.990 25910 3446 1 12 . 1 1 2 2 GLY CA C 2 44.589 44.589 44.974 -0.385 25910 3447 1 12 . 1 1 2 2 GLY H H 2 8.454 8.454 8.763 -0.309 25910 3448 1 12 . 1 1 3 3 THR N N 3 118.182 118.182 116.075 2.107 25910 3449 1 12 . 1 1 3 3 THR HA H 3 4.594 4.594 4.841 -0.247 25910 3450 1 12 . 1 1 3 3 THR C C 3 173.943 173.943 173.185 0.758 25910 3451 1 12 . 1 1 3 3 THR CA C 3 62.633 62.633 62.214 0.419 25910 3452 1 12 . 1 1 3 3 THR CB C 3 72.413 72.413 69.909 2.504 25910 3453 1 12 . 1 1 3 3 THR H H 3 8.076 8.076 7.905 0.171 25910 3454 1 12 . 1 1 4 4 TYR N N 4 128.256 128.256 126.569 1.687 25910 3455 1 12 . 1 1 4 4 TYR HA H 4 5.271 5.271 4.891 0.380 25910 3456 1 12 . 1 1 4 4 TYR C C 4 174.213 174.213 175.571 -1.358 25910 3457 1 12 . 1 1 4 4 TYR CA C 4 56.625 56.625 57.584 -0.959 25910 3458 1 12 . 1 1 4 4 TYR CB C 4 42.657 42.657 40.045 2.612 25910 3459 1 12 . 1 1 4 4 TYR H H 4 9.273 9.273 8.276 0.997 25910 3460 1 12 . 1 1 5 5 LYS N N 5 124.678 124.678 124.909 -0.231 25910 3461 1 12 . 1 1 5 5 LYS HA H 5 5.169 5.169 4.733 0.436 25910 3462 1 12 . 1 1 5 5 LYS C C 5 172.616 172.616 175.148 -2.532 25910 3463 1 12 . 1 1 5 5 LYS CA C 5 54.875 54.875 55.824 -0.949 25910 3464 1 12 . 1 1 5 5 LYS CB C 5 28.908 28.908 32.822 -3.913 25910 3465 1 12 . 1 1 5 5 LYS H H 5 9.075 9.075 9.164 -0.089 25910 3466 1 12 . 1 1 6 6 LEU N N 6 128.375 128.375 127.700 0.675 25910 3467 1 12 . 1 1 6 6 LEU HA H 6 4.839 4.839 4.992 -0.152 25910 3468 1 12 . 1 1 6 6 LEU C C 6 174.425 174.425 175.156 -0.731 25910 3469 1 12 . 1 1 6 6 LEU CA C 6 52.459 52.459 53.494 -1.035 25910 3470 1 12 . 1 1 6 6 LEU H H 6 8.541 8.541 7.984 0.557 25910 3471 1 12 . 1 1 7 7 ILE N N 7 128.123 128.123 128.588 -0.465 25910 3472 1 12 . 1 1 7 7 ILE HA H 7 4.221 4.221 4.630 -0.409 25910 3473 1 12 . 1 1 7 7 ILE C C 7 174.566 174.566 174.217 0.349 25910 3474 1 12 . 1 1 7 7 ILE CA C 7 60.226 60.226 59.555 0.671 25910 3475 1 12 . 1 1 7 7 ILE CB C 7 37.977 37.977 39.867 -1.890 25910 3476 1 12 . 1 1 7 7 ILE H H 7 9.020 9.020 9.173 -0.153 25910 3477 1 12 . 1 1 8 8 LEU N N 8 127.628 127.628 129.023 -1.395 25910 3478 1 12 . 1 1 8 8 LEU HA H 8 4.383 4.383 4.199 0.184 25910 3479 1 12 . 1 1 8 8 LEU C C 8 174.640 174.640 175.146 -0.506 25910 3480 1 12 . 1 1 8 8 LEU CA C 8 54.428 54.428 54.425 0.003 25910 3481 1 12 . 1 1 8 8 LEU CB C 8 42.014 42.014 41.756 0.258 25910 3482 1 12 . 1 1 8 8 LEU H H 8 8.640 8.640 8.637 0.003 25910 3483 1 12 . 1 1 9 9 ASN N N 9 128.380 128.380 125.113 3.267 25910 3484 1 12 . 1 1 9 9 ASN HA H 9 5.214 5.214 4.995 0.219 25910 3485 1 12 . 1 1 9 9 ASN C C 9 175.683 175.683 174.363 1.320 25910 3486 1 12 . 1 1 9 9 ASN CA C 9 50.778 50.778 51.903 -1.125 25910 3487 1 12 . 1 1 9 9 ASN CB C 9 37.691 37.691 40.131 -2.440 25910 3488 1 12 . 1 1 9 9 ASN H H 9 8.830 8.830 8.607 0.223 25910 3489 1 12 . 1 1 10 10 GLY N N 10 111.563 111.563 110.083 1.480 25910 3490 1 12 . 1 1 10 10 GLY C C 10 173.311 173.311 173.892 -0.581 25910 3491 1 12 . 1 1 10 10 GLY CA C 10 44.735 44.735 44.056 0.679 25910 3492 1 12 . 1 1 10 10 GLY H H 10 7.831 7.831 8.032 -0.201 25910 3493 1 12 . 1 1 11 11 LYS N N 11 122.942 122.942 120.513 2.429 25910 3494 1 12 . 1 1 11 11 LYS HA H 11 3.990 3.990 4.188 -0.198 25910 3495 1 12 . 1 1 11 11 LYS C C 11 178.822 178.822 176.725 2.097 25910 3496 1 12 . 1 1 11 11 LYS CA C 11 58.885 58.885 57.946 0.939 25910 3497 1 12 . 1 1 11 11 LYS CB C 11 32.330 32.330 32.603 -0.273 25910 3498 1 12 . 1 1 11 11 LYS H H 11 9.419 9.419 8.725 0.694 25910 3499 1 12 . 1 1 12 12 THR N N 12 110.192 110.192 112.639 -2.447 25910 3500 1 12 . 1 1 12 12 THR HA H 12 4.312 4.312 4.327 -0.015 25910 3501 1 12 . 1 1 12 12 THR C C 12 173.575 173.575 173.641 -0.066 25910 3502 1 12 . 1 1 12 12 THR CA C 12 61.517 61.517 63.106 -1.589 25910 3503 1 12 . 1 1 12 12 THR CB C 12 69.598 69.598 70.255 -0.657 25910 3504 1 12 . 1 1 12 12 THR H H 12 8.743 8.743 8.354 0.389 25910 3505 1 12 . 1 1 13 13 LEU N N 13 127.300 127.300 117.619 9.681 25910 3506 1 12 . 1 1 13 13 LEU HA H 13 4.401 4.401 4.816 -0.415 25910 3507 1 12 . 1 1 13 13 LEU C C 13 173.148 173.148 174.092 -0.944 25910 3508 1 12 . 1 1 13 13 LEU CA C 13 54.953 54.953 53.738 1.215 25910 3509 1 12 . 1 1 13 13 LEU CB C 13 43.166 43.166 43.729 -0.563 25910 3510 1 12 . 1 1 13 13 LEU H H 13 7.273 7.273 7.649 -0.376 25910 3511 1 12 . 1 1 14 14 LYS N N 14 125.544 125.544 118.948 6.596 25910 3512 1 12 . 1 1 14 14 LYS HA H 14 5.097 5.097 5.031 0.066 25910 3513 1 12 . 1 1 14 14 LYS C C 14 176.255 176.255 175.224 1.031 25910 3514 1 12 . 1 1 14 14 LYS CA C 14 53.661 53.661 54.885 -1.224 25910 3515 1 12 . 1 1 14 14 LYS CB C 14 34.743 34.743 36.626 -1.883 25910 3516 1 12 . 1 1 14 14 LYS H H 14 8.062 8.062 8.285 -0.223 25910 3517 1 12 . 1 1 15 15 GLY N N 15 111.144 111.144 107.682 3.462 25910 3518 1 12 . 1 1 15 15 GLY C C 15 171.151 171.151 171.848 -0.697 25910 3519 1 12 . 1 1 15 15 GLY CA C 15 45.006 45.006 45.550 -0.544 25910 3520 1 12 . 1 1 15 15 GLY H H 15 8.349 8.349 8.289 0.060 25910 3521 1 12 . 1 1 16 16 GLU N N 16 120.581 120.581 121.673 -1.092 25910 3522 1 12 . 1 1 16 16 GLU HA H 16 5.546 5.546 5.160 0.386 25910 3523 1 12 . 1 1 16 16 GLU C C 16 175.034 175.034 175.092 -0.058 25910 3524 1 12 . 1 1 16 16 GLU CA C 16 54.528 54.528 55.220 -0.692 25910 3525 1 12 . 1 1 16 16 GLU CB C 16 33.817 33.817 32.199 1.618 25910 3526 1 12 . 1 1 16 16 GLU H H 16 8.346 8.346 8.534 -0.188 25910 3527 1 12 . 1 1 17 17 THR N N 17 117.658 117.658 118.032 -0.374 25910 3528 1 12 . 1 1 17 17 THR HA H 17 4.622 4.622 4.819 -0.197 25910 3529 1 12 . 1 1 17 17 THR C C 17 171.834 171.834 173.011 -1.177 25910 3530 1 12 . 1 1 17 17 THR CA C 17 60.610 60.610 59.978 0.632 25910 3531 1 12 . 1 1 17 17 THR CB C 17 69.030 69.030 71.163 -2.133 25910 3532 1 12 . 1 1 17 17 THR H H 17 8.636 8.636 8.928 -0.292 25910 3533 1 12 . 1 1 18 18 THR N N 18 113.707 113.707 112.207 1.500 25910 3534 1 12 . 1 1 18 18 THR HA H 18 5.794 5.794 4.973 0.821 25910 3535 1 12 . 1 1 18 18 THR C C 18 173.871 173.871 173.947 -0.076 25910 3536 1 12 . 1 1 18 18 THR CA C 18 59.750 59.750 61.263 -1.513 25910 3537 1 12 . 1 1 18 18 THR CB C 18 73.077 73.077 71.544 1.533 25910 3538 1 12 . 1 1 18 18 THR H H 18 7.970 7.970 8.412 -0.442 25910 3539 1 12 . 1 1 19 19 THR N N 19 116.670 116.670 120.550 -3.880 25910 3540 1 12 . 1 1 19 19 THR HA H 19 4.606 4.606 4.680 -0.074 25910 3541 1 12 . 1 1 19 19 THR C C 19 171.009 171.009 172.768 -1.759 25910 3542 1 12 . 1 1 19 19 THR CA C 19 62.179 62.179 61.822 0.357 25910 3543 1 12 . 1 1 19 19 THR CB C 19 70.463 70.463 70.842 -0.379 25910 3544 1 12 . 1 1 19 19 THR H H 19 9.018 9.018 8.383 0.635 25910 3545 1 12 . 1 1 20 20 GLU N N 20 126.491 126.491 125.065 1.426 25910 3546 1 12 . 1 1 20 20 GLU HA H 20 5.528 5.528 4.987 0.541 25910 3547 1 12 . 1 1 20 20 GLU C C 20 176.205 176.205 174.830 1.375 25910 3548 1 12 . 1 1 20 20 GLU CA C 20 54.574 54.574 55.167 -0.593 25910 3549 1 12 . 1 1 20 20 GLU CB C 20 30.757 30.757 30.906 -0.149 25910 3550 1 12 . 1 1 20 20 GLU H H 20 7.922 7.922 8.529 -0.607 25910 3551 1 12 . 1 1 21 21 ALA N N 21 126.835 126.835 125.754 1.081 25910 3552 1 12 . 1 1 21 21 ALA HA H 21 4.740 4.740 4.606 0.134 25910 3553 1 12 . 1 1 21 21 ALA C C 21 177.223 177.223 176.175 1.048 25910 3554 1 12 . 1 1 21 21 ALA CA C 21 50.945 50.945 51.718 -0.773 25910 3555 1 12 . 1 1 21 21 ALA CB C 21 23.578 23.578 21.823 1.754 25910 3556 1 12 . 1 1 21 21 ALA H H 21 9.183 9.183 8.547 0.636 25910 3557 1 12 . 1 1 22 22 VAL N N 22 117.316 117.316 118.114 -0.798 25910 3558 1 12 . 1 1 22 22 VAL HA H 22 4.137 4.137 4.139 -0.002 25910 3559 1 12 . 1 1 22 22 VAL C C 22 174.432 174.432 175.043 -0.611 25910 3560 1 12 . 1 1 22 22 VAL CA C 22 63.321 63.321 63.166 0.154 25910 3561 1 12 . 1 1 22 22 VAL CB C 22 32.120 32.120 32.326 -0.206 25910 3562 1 12 . 1 1 22 22 VAL H H 22 8.519 8.519 8.670 -0.151 25910 3563 1 12 . 1 1 23 23 ASP N N 23 116.395 116.395 116.819 -0.424 25910 3564 1 12 . 1 1 23 23 ASP HA H 23 4.580 4.580 4.921 -0.341 25910 3565 1 12 . 1 1 23 23 ASP C C 23 174.391 174.391 175.743 -1.352 25910 3566 1 12 . 1 1 23 23 ASP CA C 23 52.345 52.345 53.301 -0.956 25910 3567 1 12 . 1 1 23 23 ASP CB C 23 42.149 42.149 43.215 -1.066 25910 3568 1 12 . 1 1 23 23 ASP H H 23 7.191 7.191 7.822 -0.631 25910 3569 1 12 . 1 1 24 24 ALA N N 24 123.019 123.019 124.998 -1.979 25910 3570 1 12 . 1 1 24 24 ALA HA H 24 3.349 3.349 3.379 -0.030 25910 3571 1 12 . 1 1 24 24 ALA C C 24 179.001 179.001 178.644 0.357 25910 3572 1 12 . 1 1 24 24 ALA CA C 24 54.346 54.346 55.163 -0.817 25910 3573 1 12 . 1 1 24 24 ALA CB C 24 17.327 17.327 18.520 -1.193 25910 3574 1 12 . 1 1 24 24 ALA H H 24 8.315 8.315 8.713 -0.398 25910 3575 1 12 . 1 1 25 25 ALA N N 25 122.203 122.203 120.271 1.932 25910 3576 1 12 . 1 1 25 25 ALA HA H 25 3.891 3.891 4.032 -0.141 25910 3577 1 12 . 1 1 25 25 ALA C C 25 180.736 180.736 179.124 1.612 25910 3578 1 12 . 1 1 25 25 ALA CA C 25 54.646 54.646 55.327 -0.681 25910 3579 1 12 . 1 1 25 25 ALA CB C 25 17.623 17.623 17.433 0.190 25910 3580 1 12 . 1 1 25 25 ALA H H 25 7.982 7.982 8.405 -0.423 25910 3581 1 12 . 1 1 26 26 THR N N 26 118.231 118.231 115.673 2.558 25910 3582 1 12 . 1 1 26 26 THR HA H 26 3.973 3.973 3.913 0.060 25910 3583 1 12 . 1 1 26 26 THR C C 26 175.969 175.969 176.480 -0.511 25910 3584 1 12 . 1 1 26 26 THR CA C 26 66.690 66.690 66.178 0.512 25910 3585 1 12 . 1 1 26 26 THR CB C 26 66.977 66.977 68.322 -1.345 25910 3586 1 12 . 1 1 26 26 THR H H 26 8.258 8.258 8.124 0.134 25910 3587 1 12 . 1 1 27 27 ALA N N 27 125.522 125.522 123.812 1.710 25910 3588 1 12 . 1 1 27 27 ALA HA H 27 3.008 3.008 3.831 -0.823 25910 3589 1 12 . 1 1 27 27 ALA C C 27 176.928 176.928 178.945 -2.017 25910 3590 1 12 . 1 1 27 27 ALA CA C 27 54.544 54.544 55.543 -0.999 25910 3591 1 12 . 1 1 27 27 ALA CB C 27 17.299 17.299 18.015 -0.716 25910 3592 1 12 . 1 1 27 27 ALA H H 27 6.992 6.992 7.982 -0.990 25910 3593 1 12 . 1 1 28 28 GLU N N 28 118.584 118.584 118.780 -0.196 25910 3594 1 12 . 1 1 28 28 GLU HA H 28 2.575 2.575 3.843 -1.268 25910 3595 1 12 . 1 1 28 28 GLU C C 28 177.127 177.127 178.845 -1.718 25910 3596 1 12 . 1 1 28 28 GLU CA C 28 59.522 59.522 59.599 -0.077 25910 3597 1 12 . 1 1 28 28 GLU CB C 28 32.612 32.612 29.538 3.074 25910 3598 1 12 . 1 1 28 28 GLU H H 28 8.284 8.284 8.302 -0.018 25910 3599 1 12 . 1 1 29 29 LYS N N 29 118.504 118.504 118.633 -0.129 25910 3600 1 12 . 1 1 29 29 LYS HA H 29 3.654 3.654 3.866 -0.212 25910 3601 1 12 . 1 1 29 29 LYS C C 29 179.844 179.844 179.357 0.487 25910 3602 1 12 . 1 1 29 29 LYS CA C 29 59.589 59.589 59.137 0.452 25910 3603 1 12 . 1 1 29 29 LYS CB C 29 32.200 32.200 32.439 -0.239 25910 3604 1 12 . 1 1 29 29 LYS H H 29 6.861 6.861 8.073 -1.212 25910 3605 1 12 . 1 1 30 30 VAL N N 30 122.501 122.501 118.961 3.540 25910 3606 1 12 . 1 1 30 30 VAL HA H 30 3.550 3.550 3.681 -0.131 25910 3607 1 12 . 1 1 30 30 VAL C C 30 179.643 179.643 178.392 1.251 25910 3608 1 12 . 1 1 30 30 VAL CA C 30 65.870 65.870 66.002 -0.133 25910 3609 1 12 . 1 1 30 30 VAL CB C 30 31.729 31.729 31.878 -0.149 25910 3610 1 12 . 1 1 30 30 VAL H H 30 7.203 7.203 7.871 -0.668 25910 3611 1 12 . 1 1 31 31 PHE N N 31 122.601 122.601 118.574 4.027 25910 3612 1 12 . 1 1 31 31 PHE C C 31 178.161 178.161 177.505 0.656 25910 3613 1 12 . 1 1 31 31 PHE CA C 31 55.903 55.903 59.484 -3.581 25910 3614 1 12 . 1 1 31 31 PHE H H 31 8.398 8.398 8.668 -0.270 25910 3615 1 12 . 1 1 32 32 LYS N N 32 124.739 124.739 121.149 3.590 25910 3616 1 12 . 1 1 32 32 LYS HA H 32 4.085 4.085 4.116 -0.031 25910 3617 1 12 . 1 1 32 32 LYS C C 32 179.432 179.432 178.714 0.718 25910 3618 1 12 . 1 1 32 32 LYS CA C 32 59.714 59.714 60.172 -0.459 25910 3619 1 12 . 1 1 32 32 LYS CB C 32 31.660 31.660 31.939 -0.279 25910 3620 1 12 . 1 1 32 32 LYS H H 32 9.078 9.078 7.970 1.108 25910 3621 1 12 . 1 1 33 33 GLN N N 33 121.561 121.561 118.194 3.367 25910 3622 1 12 . 1 1 33 33 GLN HA H 33 3.986 3.986 4.029 -0.043 25910 3623 1 12 . 1 1 33 33 GLN C C 33 176.867 176.867 178.240 -1.373 25910 3624 1 12 . 1 1 33 33 GLN CA C 33 58.531 58.531 59.053 -0.522 25910 3625 1 12 . 1 1 33 33 GLN CB C 33 27.914 27.914 28.658 -0.744 25910 3626 1 12 . 1 1 33 33 GLN H H 33 7.325 7.325 7.930 -0.605 25910 3627 1 12 . 1 1 34 34 TYR N N 34 122.729 122.729 120.399 2.330 25910 3628 1 12 . 1 1 34 34 TYR HA H 34 4.206 4.206 4.192 0.014 25910 3629 1 12 . 1 1 34 34 TYR C C 34 178.875 178.875 177.165 1.710 25910 3630 1 12 . 1 1 34 34 TYR CA C 34 61.673 61.673 60.782 0.891 25910 3631 1 12 . 1 1 34 34 TYR CB C 34 38.779 38.779 37.991 0.788 25910 3632 1 12 . 1 1 34 34 TYR H H 34 8.165 8.165 8.313 -0.148 25910 3633 1 12 . 1 1 35 35 ALA N N 35 124.565 124.565 121.272 3.293 25910 3634 1 12 . 1 1 35 35 ALA HA H 35 3.754 3.754 3.394 0.360 25910 3635 1 12 . 1 1 35 35 ALA C C 35 174.251 174.251 179.559 -5.308 25910 3636 1 12 . 1 1 35 35 ALA CA C 35 56.260 56.260 55.005 1.255 25910 3637 1 12 . 1 1 35 35 ALA CB C 35 17.622 17.622 18.087 -0.465 25910 3638 1 12 . 1 1 35 35 ALA H H 35 9.126 9.126 8.557 0.569 25910 3639 1 12 . 1 1 36 36 ASN N N 36 119.406 119.406 116.529 2.877 25910 3640 1 12 . 1 1 36 36 ASN HA H 36 4.370 4.370 4.537 -0.167 25910 3641 1 12 . 1 1 36 36 ASN C C 36 179.225 179.225 178.261 0.964 25910 3642 1 12 . 1 1 36 36 ASN CA C 36 56.845 56.845 55.404 1.440 25910 3643 1 12 . 1 1 36 36 ASN CB C 36 38.724 38.724 38.730 -0.007 25910 3644 1 12 . 1 1 36 36 ASN H H 36 8.156 8.156 8.277 -0.121 25910 3645 1 12 . 1 1 37 37 ASP N N 37 123.289 123.289 120.784 2.505 25910 3646 1 12 . 1 1 37 37 ASP HA H 37 4.291 4.291 4.485 -0.194 25910 3647 1 12 . 1 1 37 37 ASP C C 37 176.917 176.917 177.747 -0.830 25910 3648 1 12 . 1 1 37 37 ASP CA C 37 56.791 56.791 56.469 0.322 25910 3649 1 12 . 1 1 37 37 ASP CB C 37 41.927 41.927 41.098 0.829 25910 3650 1 12 . 1 1 37 37 ASP H H 37 8.854 8.854 8.637 0.217 25910 3651 1 12 . 1 1 38 38 ASN N N 38 117.154 117.154 115.827 1.327 25910 3652 1 12 . 1 1 38 38 ASN HA H 38 4.528 4.528 4.799 -0.271 25910 3653 1 12 . 1 1 38 38 ASN C C 38 173.809 173.809 175.530 -1.721 25910 3654 1 12 . 1 1 38 38 ASN CA C 38 53.604 53.604 52.105 1.499 25910 3655 1 12 . 1 1 38 38 ASN H H 38 7.302 7.302 7.650 -0.348 25910 3656 1 12 . 1 1 39 39 GLY N N 39 109.931 109.931 108.024 1.907 25910 3657 1 12 . 1 1 39 39 GLY C C 39 177.482 177.482 174.016 3.466 25910 3658 1 12 . 1 1 39 39 GLY CA C 39 46.647 46.647 45.399 1.248 25910 3659 1 12 . 1 1 39 39 GLY H H 39 7.716 7.716 7.655 0.061 25910 3660 1 12 . 1 1 40 40 VAL N N 40 122.793 122.793 119.946 2.847 25910 3661 1 12 . 1 1 40 40 VAL HA H 40 4.099 4.099 4.123 -0.024 25910 3662 1 12 . 1 1 40 40 VAL C C 40 173.752 173.752 174.573 -0.821 25910 3663 1 12 . 1 1 40 40 VAL CA C 40 61.738 61.738 61.486 0.252 25910 3664 1 12 . 1 1 40 40 VAL CB C 40 32.918 32.918 33.070 -0.152 25910 3665 1 12 . 1 1 40 40 VAL H H 40 8.027 8.027 7.891 0.136 25910 3666 1 12 . 1 1 41 41 ASP N N 41 129.935 129.935 129.429 0.506 25910 3667 1 12 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.878 -0.053 25910 3668 1 12 . 1 1 41 41 ASP C C 41 174.270 174.270 175.068 -0.798 25910 3669 1 12 . 1 1 41 41 ASP CA C 41 52.473 52.473 53.647 -1.173 25910 3670 1 12 . 1 1 41 41 ASP CB C 41 42.513 42.513 42.639 -0.126 25910 3671 1 12 . 1 1 41 41 ASP H H 41 8.588 8.588 8.223 0.365 25910 3672 1 12 . 1 1 42 42 GLY N N 42 109.126 109.126 109.183 -0.057 25910 3673 1 12 . 1 1 42 42 GLY C C 42 171.778 171.778 173.198 -1.420 25910 3674 1 12 . 1 1 42 42 GLY CA C 42 45.243 45.243 44.019 1.224 25910 3675 1 12 . 1 1 42 42 GLY H H 42 7.672 7.672 7.851 -0.179 25910 3676 1 12 . 1 1 43 43 GLU N N 43 122.448 122.448 121.016 1.432 25910 3677 1 12 . 1 1 43 43 GLU HA H 43 4.628 4.628 4.525 0.103 25910 3678 1 12 . 1 1 43 43 GLU C C 43 176.874 176.874 176.035 0.839 25910 3679 1 12 . 1 1 43 43 GLU CA C 43 55.350 55.350 54.975 0.375 25910 3680 1 12 . 1 1 43 43 GLU CB C 43 31.207 31.207 30.310 0.897 25910 3681 1 12 . 1 1 43 43 GLU H H 43 8.089 8.089 8.097 -0.008 25910 3682 1 12 . 1 1 44 44 TRP N N 44 130.232 130.232 126.869 3.363 25910 3683 1 12 . 1 1 44 44 TRP HA H 44 5.313 5.313 5.069 0.244 25910 3684 1 12 . 1 1 44 44 TRP C C 44 176.867 176.867 176.836 0.031 25910 3685 1 12 . 1 1 44 44 TRP CA C 44 57.688 57.688 56.922 0.766 25910 3686 1 12 . 1 1 44 44 TRP CB C 44 30.268 30.268 30.340 -0.072 25910 3687 1 12 . 1 1 44 44 TRP H H 44 9.284 9.284 9.006 0.278 25910 3688 1 12 . 1 1 45 45 THR N N 45 116.544 116.544 118.028 -1.484 25910 3689 1 12 . 1 1 45 45 THR HA H 45 4.626 4.626 4.328 0.298 25910 3690 1 12 . 1 1 45 45 THR C C 45 172.518 172.518 171.968 0.550 25910 3691 1 12 . 1 1 45 45 THR CA C 45 60.392 60.392 61.021 -0.629 25910 3692 1 12 . 1 1 45 45 THR CB C 45 72.517 72.517 71.382 1.135 25910 3693 1 12 . 1 1 45 45 THR H H 45 9.192 9.192 8.556 0.636 25910 3694 1 12 . 1 1 46 46 TYR N N 46 122.420 122.420 120.149 2.271 25910 3695 1 12 . 1 1 46 46 TYR HA H 46 4.375 4.375 4.752 -0.377 25910 3696 1 12 . 1 1 46 46 TYR C C 46 173.077 173.077 174.611 -1.534 25910 3697 1 12 . 1 1 46 46 TYR CA C 46 56.663 56.663 54.878 1.785 25910 3698 1 12 . 1 1 46 46 TYR CB C 46 38.701 38.701 40.499 -1.798 25910 3699 1 12 . 1 1 46 46 TYR H H 46 8.512 8.512 7.284 1.228 25910 3700 1 12 . 1 1 47 47 ASP N N 47 130.329 130.329 123.722 6.607 25910 3701 1 12 . 1 1 47 47 ASP HA H 47 4.520 4.520 4.976 -0.456 25910 3702 1 12 . 1 1 47 47 ASP C C 47 174.266 174.266 175.831 -1.565 25910 3703 1 12 . 1 1 47 47 ASP CA C 47 51.864 51.864 54.180 -2.316 25910 3704 1 12 . 1 1 47 47 ASP CB C 47 42.670 42.670 42.940 -0.270 25910 3705 1 12 . 1 1 47 47 ASP H H 47 7.613 7.613 8.540 -0.927 25910 3706 1 12 . 1 1 48 48 ASP N N 48 126.699 126.699 123.016 3.683 25910 3707 1 12 . 1 1 48 48 ASP HA H 48 4.019 4.019 4.556 -0.537 25910 3708 1 12 . 1 1 48 48 ASP C C 48 177.981 177.981 176.631 1.350 25910 3709 1 12 . 1 1 48 48 ASP CA C 48 56.198 56.198 56.548 -0.350 25910 3710 1 12 . 1 1 48 48 ASP CB C 48 41.614 41.614 40.764 0.850 25910 3711 1 12 . 1 1 48 48 ASP H H 48 8.422 8.422 8.794 -0.372 25910 3712 1 12 . 1 1 49 49 ALA N N 49 121.819 121.819 123.537 -1.718 25910 3713 1 12 . 1 1 49 49 ALA HA H 49 4.021 4.021 4.145 -0.124 25910 3714 1 12 . 1 1 49 49 ALA C C 49 179.522 179.522 178.880 0.642 25910 3715 1 12 . 1 1 49 49 ALA CA C 49 54.829 54.829 54.432 0.397 25910 3716 1 12 . 1 1 49 49 ALA CB C 49 18.168 18.168 19.133 -0.965 25910 3717 1 12 . 1 1 49 49 ALA H H 49 8.202 8.202 8.595 -0.393 25910 3718 1 12 . 1 1 50 50 THR N N 50 105.089 105.089 106.653 -1.564 25910 3719 1 12 . 1 1 50 50 THR HA H 50 4.318 4.318 4.461 -0.143 25910 3720 1 12 . 1 1 50 50 THR C C 50 174.943 174.943 174.527 0.416 25910 3721 1 12 . 1 1 50 50 THR CA C 50 60.343 60.343 61.472 -1.129 25910 3722 1 12 . 1 1 50 50 THR CB C 50 69.532 69.532 70.436 -0.905 25910 3723 1 12 . 1 1 50 50 THR H H 50 6.890 6.890 7.579 -0.689 25910 3724 1 12 . 1 1 51 51 LYS N N 51 125.512 125.512 119.302 6.210 25910 3725 1 12 . 1 1 51 51 LYS HA H 51 4.079 4.079 3.968 0.111 25910 3726 1 12 . 1 1 51 51 LYS C C 51 174.733 174.733 175.862 -1.129 25910 3727 1 12 . 1 1 51 51 LYS CA C 51 57.119 57.119 57.679 -0.560 25910 3728 1 12 . 1 1 51 51 LYS CB C 51 33.975 33.975 29.762 4.213 25910 3729 1 12 . 1 1 51 51 LYS H H 51 7.764 7.764 8.196 -0.432 25910 3730 1 12 . 1 1 52 52 THR N N 52 112.742 112.742 110.702 2.040 25910 3731 1 12 . 1 1 52 52 THR HA H 52 5.437 5.437 4.728 0.709 25910 3732 1 12 . 1 1 52 52 THR C C 52 174.733 174.733 173.557 1.176 25910 3733 1 12 . 1 1 52 52 THR CA C 52 62.078 62.078 61.957 0.121 25910 3734 1 12 . 1 1 52 52 THR CB C 52 63.076 63.076 70.153 -7.077 25910 3735 1 12 . 1 1 52 52 THR H H 52 7.261 7.261 7.655 -0.394 25910 3736 1 12 . 1 1 53 53 PHE N N 53 132.937 132.937 124.401 8.536 25910 3737 1 12 . 1 1 53 53 PHE HA H 53 5.641 5.641 5.354 0.287 25910 3738 1 12 . 1 1 53 53 PHE C C 53 174.377 174.377 173.580 0.797 25910 3739 1 12 . 1 1 53 53 PHE CA C 53 56.995 56.995 56.773 0.222 25910 3740 1 12 . 1 1 53 53 PHE CB C 53 42.679 42.679 42.556 0.123 25910 3741 1 12 . 1 1 53 53 PHE H H 53 10.363 10.363 8.840 1.523 25910 3742 1 12 . 1 1 54 54 THR N N 54 119.069 119.069 123.678 -4.609 25910 3743 1 12 . 1 1 54 54 THR HA H 54 5.140 5.140 5.211 -0.071 25910 3744 1 12 . 1 1 54 54 THR C C 54 172.417 172.417 173.420 -1.003 25910 3745 1 12 . 1 1 54 54 THR CA C 54 61.408 61.408 61.093 0.315 25910 3746 1 12 . 1 1 54 54 THR CB C 54 65.839 65.839 71.312 -5.473 25910 3747 1 12 . 1 1 54 54 THR H H 54 9.011 9.011 8.683 0.328 25910 3748 1 12 . 1 1 55 55 VAL N N 55 125.268 125.268 127.607 -2.339 25910 3749 1 12 . 1 1 55 55 VAL HA H 55 4.382 4.382 4.153 0.229 25910 3750 1 12 . 1 1 55 55 VAL CA C 55 57.834 57.834 60.816 -2.982 25910 3751 1 12 . 1 1 55 55 VAL CB C 55 32.223 32.223 30.106 2.117 25910 3752 1 12 . 1 1 55 55 VAL H H 55 8.122 8.122 8.428 -0.306 25910 3753 1 12 . 1 1 56 56 THR N N 56 125.548 125.548 124.831 0.717 25910 3754 1 12 . 1 1 56 56 THR C C 56 173.901 173.901 173.576 0.325 25910 3755 1 12 . 1 1 56 56 THR CA C 56 61.272 61.272 62.675 -1.403 25910 3756 1 12 . 1 1 56 56 THR H H 56 8.306 8.306 8.751 -0.445 25910 3757 1 13 . 1 1 2 2 GLY N N 2 113.750 113.750 112.034 1.716 25910 3758 1 13 . 1 1 2 2 GLY C C 2 176.605 176.605 172.091 4.514 25910 3759 1 13 . 1 1 2 2 GLY CA C 2 44.589 44.589 45.603 -1.014 25910 3760 1 13 . 1 1 2 2 GLY H H 2 8.454 8.454 8.487 -0.033 25910 3761 1 13 . 1 1 3 3 THR N N 3 118.182 118.182 116.981 1.201 25910 3762 1 13 . 1 1 3 3 THR HA H 3 4.594 4.594 4.846 -0.252 25910 3763 1 13 . 1 1 3 3 THR C C 3 173.943 173.943 173.685 0.258 25910 3764 1 13 . 1 1 3 3 THR CA C 3 62.633 62.633 62.613 0.020 25910 3765 1 13 . 1 1 3 3 THR CB C 3 72.413 72.413 68.901 3.512 25910 3766 1 13 . 1 1 3 3 THR H H 3 8.076 8.076 8.146 -0.070 25910 3767 1 13 . 1 1 4 4 TYR N N 4 128.256 128.256 128.188 0.068 25910 3768 1 13 . 1 1 4 4 TYR HA H 4 5.271 5.271 4.774 0.497 25910 3769 1 13 . 1 1 4 4 TYR C C 4 174.213 174.213 175.645 -1.432 25910 3770 1 13 . 1 1 4 4 TYR CA C 4 56.625 56.625 57.960 -1.335 25910 3771 1 13 . 1 1 4 4 TYR CB C 4 42.657 42.657 39.695 2.962 25910 3772 1 13 . 1 1 4 4 TYR H H 4 9.273 9.273 8.521 0.752 25910 3773 1 13 . 1 1 5 5 LYS N N 5 124.678 124.678 125.794 -1.116 25910 3774 1 13 . 1 1 5 5 LYS HA H 5 5.169 5.169 4.574 0.595 25910 3775 1 13 . 1 1 5 5 LYS C C 5 172.616 172.616 175.443 -2.827 25910 3776 1 13 . 1 1 5 5 LYS CA C 5 54.875 54.875 56.265 -1.390 25910 3777 1 13 . 1 1 5 5 LYS CB C 5 28.908 28.908 32.482 -3.574 25910 3778 1 13 . 1 1 5 5 LYS H H 5 9.075 9.075 9.080 -0.005 25910 3779 1 13 . 1 1 6 6 LEU N N 6 128.375 128.375 128.296 0.079 25910 3780 1 13 . 1 1 6 6 LEU HA H 6 4.839 4.839 4.875 -0.036 25910 3781 1 13 . 1 1 6 6 LEU C C 6 174.425 174.425 175.088 -0.663 25910 3782 1 13 . 1 1 6 6 LEU CA C 6 52.459 52.459 53.716 -1.257 25910 3783 1 13 . 1 1 6 6 LEU H H 6 8.541 8.541 8.457 0.084 25910 3784 1 13 . 1 1 7 7 ILE N N 7 128.123 128.123 128.813 -0.690 25910 3785 1 13 . 1 1 7 7 ILE HA H 7 4.221 4.221 4.552 -0.331 25910 3786 1 13 . 1 1 7 7 ILE C C 7 174.566 174.566 174.061 0.505 25910 3787 1 13 . 1 1 7 7 ILE CA C 7 60.226 60.226 59.919 0.307 25910 3788 1 13 . 1 1 7 7 ILE CB C 7 37.977 37.977 40.366 -2.389 25910 3789 1 13 . 1 1 7 7 ILE H H 7 9.020 9.020 9.061 -0.041 25910 3790 1 13 . 1 1 8 8 LEU N N 8 127.628 127.628 129.090 -1.462 25910 3791 1 13 . 1 1 8 8 LEU HA H 8 4.383 4.383 4.365 0.018 25910 3792 1 13 . 1 1 8 8 LEU C C 8 174.640 174.640 174.851 -0.211 25910 3793 1 13 . 1 1 8 8 LEU CA C 8 54.428 54.428 54.139 0.289 25910 3794 1 13 . 1 1 8 8 LEU CB C 8 42.014 42.014 43.325 -1.311 25910 3795 1 13 . 1 1 8 8 LEU H H 8 8.640 8.640 8.946 -0.306 25910 3796 1 13 . 1 1 9 9 ASN N N 9 128.380 128.380 125.587 2.793 25910 3797 1 13 . 1 1 9 9 ASN HA H 9 5.214 5.214 5.027 0.187 25910 3798 1 13 . 1 1 9 9 ASN C C 9 175.683 175.683 174.395 1.288 25910 3799 1 13 . 1 1 9 9 ASN CA C 9 50.778 50.778 51.696 -0.918 25910 3800 1 13 . 1 1 9 9 ASN CB C 9 37.691 37.691 39.887 -2.196 25910 3801 1 13 . 1 1 9 9 ASN H H 9 8.830 8.830 8.844 -0.014 25910 3802 1 13 . 1 1 10 10 GLY N N 10 111.563 111.563 109.530 2.033 25910 3803 1 13 . 1 1 10 10 GLY C C 10 173.311 173.311 174.383 -1.072 25910 3804 1 13 . 1 1 10 10 GLY CA C 10 44.735 44.735 43.738 0.997 25910 3805 1 13 . 1 1 10 10 GLY H H 10 7.831 7.831 8.008 -0.177 25910 3806 1 13 . 1 1 11 11 LYS N N 11 122.942 122.942 119.343 3.599 25910 3807 1 13 . 1 1 11 11 LYS HA H 11 3.990 3.990 4.175 -0.185 25910 3808 1 13 . 1 1 11 11 LYS C C 11 178.822 178.822 176.985 1.837 25910 3809 1 13 . 1 1 11 11 LYS CA C 11 58.885 58.885 58.307 0.578 25910 3810 1 13 . 1 1 11 11 LYS CB C 11 32.330 32.330 32.455 -0.125 25910 3811 1 13 . 1 1 11 11 LYS H H 11 9.419 9.419 8.656 0.763 25910 3812 1 13 . 1 1 12 12 THR N N 12 110.192 110.192 111.734 -1.542 25910 3813 1 13 . 1 1 12 12 THR HA H 12 4.312 4.312 4.316 -0.004 25910 3814 1 13 . 1 1 12 12 THR C C 12 173.575 173.575 173.554 0.021 25910 3815 1 13 . 1 1 12 12 THR CA C 12 61.517 61.517 62.592 -1.075 25910 3816 1 13 . 1 1 12 12 THR CB C 12 69.598 69.598 69.797 -0.199 25910 3817 1 13 . 1 1 12 12 THR H H 12 8.743 8.743 8.195 0.548 25910 3818 1 13 . 1 1 13 13 LEU N N 13 127.300 127.300 118.962 8.338 25910 3819 1 13 . 1 1 13 13 LEU HA H 13 4.401 4.401 4.915 -0.514 25910 3820 1 13 . 1 1 13 13 LEU C C 13 173.148 173.148 174.365 -1.217 25910 3821 1 13 . 1 1 13 13 LEU CA C 13 54.953 54.953 53.055 1.898 25910 3822 1 13 . 1 1 13 13 LEU CB C 13 43.166 43.166 44.494 -1.328 25910 3823 1 13 . 1 1 13 13 LEU H H 13 7.273 7.273 7.541 -0.268 25910 3824 1 13 . 1 1 14 14 LYS N N 14 125.544 125.544 118.794 6.750 25910 3825 1 13 . 1 1 14 14 LYS HA H 14 5.097 5.097 4.913 0.184 25910 3826 1 13 . 1 1 14 14 LYS C C 14 176.255 176.255 175.185 1.070 25910 3827 1 13 . 1 1 14 14 LYS CA C 14 53.661 53.661 54.932 -1.271 25910 3828 1 13 . 1 1 14 14 LYS CB C 14 34.743 34.743 36.459 -1.716 25910 3829 1 13 . 1 1 14 14 LYS H H 14 8.062 8.062 8.277 -0.215 25910 3830 1 13 . 1 1 15 15 GLY N N 15 111.144 111.144 107.442 3.702 25910 3831 1 13 . 1 1 15 15 GLY C C 15 171.151 171.151 172.005 -0.854 25910 3832 1 13 . 1 1 15 15 GLY CA C 15 45.006 45.006 45.184 -0.178 25910 3833 1 13 . 1 1 15 15 GLY H H 15 8.349 8.349 8.201 0.148 25910 3834 1 13 . 1 1 16 16 GLU N N 16 120.581 120.581 121.898 -1.317 25910 3835 1 13 . 1 1 16 16 GLU HA H 16 5.546 5.546 5.425 0.121 25910 3836 1 13 . 1 1 16 16 GLU C C 16 175.034 175.034 174.817 0.217 25910 3837 1 13 . 1 1 16 16 GLU CA C 16 54.528 54.528 54.995 -0.467 25910 3838 1 13 . 1 1 16 16 GLU CB C 16 33.817 33.817 32.398 1.419 25910 3839 1 13 . 1 1 16 16 GLU H H 16 8.346 8.346 8.410 -0.064 25910 3840 1 13 . 1 1 17 17 THR N N 17 117.658 117.658 117.774 -0.116 25910 3841 1 13 . 1 1 17 17 THR HA H 17 4.622 4.622 4.785 -0.163 25910 3842 1 13 . 1 1 17 17 THR C C 17 171.834 171.834 172.732 -0.898 25910 3843 1 13 . 1 1 17 17 THR CA C 17 60.610 60.610 60.019 0.591 25910 3844 1 13 . 1 1 17 17 THR CB C 17 69.030 69.030 71.177 -2.147 25910 3845 1 13 . 1 1 17 17 THR H H 17 8.636 8.636 8.876 -0.240 25910 3846 1 13 . 1 1 18 18 THR N N 18 113.707 113.707 112.176 1.531 25910 3847 1 13 . 1 1 18 18 THR HA H 18 5.794 5.794 5.198 0.596 25910 3848 1 13 . 1 1 18 18 THR C C 18 173.871 173.871 173.886 -0.015 25910 3849 1 13 . 1 1 18 18 THR CA C 18 59.750 59.750 61.235 -1.485 25910 3850 1 13 . 1 1 18 18 THR CB C 18 73.077 73.077 71.663 1.414 25910 3851 1 13 . 1 1 18 18 THR H H 18 7.970 7.970 8.465 -0.495 25910 3852 1 13 . 1 1 19 19 THR N N 19 116.670 116.670 119.316 -2.646 25910 3853 1 13 . 1 1 19 19 THR HA H 19 4.606 4.606 4.717 -0.111 25910 3854 1 13 . 1 1 19 19 THR C C 19 171.009 171.009 172.647 -1.638 25910 3855 1 13 . 1 1 19 19 THR CA C 19 62.179 62.179 61.725 0.454 25910 3856 1 13 . 1 1 19 19 THR CB C 19 70.463 70.463 71.263 -0.800 25910 3857 1 13 . 1 1 19 19 THR H H 19 9.018 9.018 8.450 0.568 25910 3858 1 13 . 1 1 20 20 GLU N N 20 126.491 126.491 124.449 2.042 25910 3859 1 13 . 1 1 20 20 GLU HA H 20 5.528 5.528 5.014 0.514 25910 3860 1 13 . 1 1 20 20 GLU C C 20 176.205 176.205 175.470 0.735 25910 3861 1 13 . 1 1 20 20 GLU CA C 20 54.574 54.574 55.025 -0.451 25910 3862 1 13 . 1 1 20 20 GLU CB C 20 30.757 30.757 31.063 -0.306 25910 3863 1 13 . 1 1 20 20 GLU H H 20 7.922 7.922 8.550 -0.628 25910 3864 1 13 . 1 1 21 21 ALA N N 21 126.835 126.835 125.479 1.356 25910 3865 1 13 . 1 1 21 21 ALA HA H 21 4.740 4.740 4.627 0.113 25910 3866 1 13 . 1 1 21 21 ALA C C 21 177.223 177.223 176.535 0.688 25910 3867 1 13 . 1 1 21 21 ALA CA C 21 50.945 50.945 51.281 -0.336 25910 3868 1 13 . 1 1 21 21 ALA CB C 21 23.578 23.578 21.231 2.347 25910 3869 1 13 . 1 1 21 21 ALA H H 21 9.183 9.183 8.449 0.734 25910 3870 1 13 . 1 1 22 22 VAL N N 22 117.316 117.316 119.013 -1.697 25910 3871 1 13 . 1 1 22 22 VAL HA H 22 4.137 4.137 3.877 0.260 25910 3872 1 13 . 1 1 22 22 VAL C C 22 174.432 174.432 174.430 0.002 25910 3873 1 13 . 1 1 22 22 VAL CA C 22 63.321 63.321 64.518 -1.197 25910 3874 1 13 . 1 1 22 22 VAL CB C 22 32.120 32.120 32.029 0.090 25910 3875 1 13 . 1 1 22 22 VAL H H 22 8.519 8.519 8.544 -0.025 25910 3876 1 13 . 1 1 23 23 ASP N N 23 116.395 116.395 114.029 2.366 25910 3877 1 13 . 1 1 23 23 ASP HA H 23 4.580 4.580 4.768 -0.188 25910 3878 1 13 . 1 1 23 23 ASP C C 23 174.391 174.391 175.724 -1.333 25910 3879 1 13 . 1 1 23 23 ASP CA C 23 52.345 52.345 53.493 -1.148 25910 3880 1 13 . 1 1 23 23 ASP CB C 23 42.149 42.149 42.970 -0.821 25910 3881 1 13 . 1 1 23 23 ASP H H 23 7.191 7.191 7.496 -0.305 25910 3882 1 13 . 1 1 24 24 ALA N N 24 123.019 123.019 123.878 -0.859 25910 3883 1 13 . 1 1 24 24 ALA HA H 24 3.349 3.349 3.693 -0.344 25910 3884 1 13 . 1 1 24 24 ALA C C 24 179.001 179.001 178.516 0.485 25910 3885 1 13 . 1 1 24 24 ALA CA C 24 54.346 54.346 55.343 -0.997 25910 3886 1 13 . 1 1 24 24 ALA CB C 24 17.327 17.327 18.587 -1.260 25910 3887 1 13 . 1 1 24 24 ALA H H 24 8.315 8.315 8.820 -0.505 25910 3888 1 13 . 1 1 25 25 ALA N N 25 122.203 122.203 120.162 2.041 25910 3889 1 13 . 1 1 25 25 ALA HA H 25 3.891 3.891 3.984 -0.093 25910 3890 1 13 . 1 1 25 25 ALA C C 25 180.736 180.736 179.384 1.352 25910 3891 1 13 . 1 1 25 25 ALA CA C 25 54.646 54.646 54.749 -0.103 25910 3892 1 13 . 1 1 25 25 ALA CB C 25 17.623 17.623 17.905 -0.282 25910 3893 1 13 . 1 1 25 25 ALA H H 25 7.982 7.982 8.327 -0.345 25910 3894 1 13 . 1 1 26 26 THR N N 26 118.231 118.231 115.132 3.099 25910 3895 1 13 . 1 1 26 26 THR HA H 26 3.973 3.973 4.023 -0.050 25910 3896 1 13 . 1 1 26 26 THR C C 26 175.969 175.969 176.291 -0.322 25910 3897 1 13 . 1 1 26 26 THR CA C 26 66.690 66.690 65.966 0.724 25910 3898 1 13 . 1 1 26 26 THR CB C 26 66.977 66.977 68.717 -1.740 25910 3899 1 13 . 1 1 26 26 THR H H 26 8.258 8.258 7.588 0.670 25910 3900 1 13 . 1 1 27 27 ALA N N 27 125.522 125.522 124.735 0.787 25910 3901 1 13 . 1 1 27 27 ALA HA H 27 3.008 3.008 3.860 -0.852 25910 3902 1 13 . 1 1 27 27 ALA C C 27 176.928 176.928 178.904 -1.976 25910 3903 1 13 . 1 1 27 27 ALA CA C 27 54.544 54.544 55.725 -1.181 25910 3904 1 13 . 1 1 27 27 ALA CB C 27 17.299 17.299 18.167 -0.868 25910 3905 1 13 . 1 1 27 27 ALA H H 27 6.992 6.992 7.776 -0.784 25910 3906 1 13 . 1 1 28 28 GLU N N 28 118.584 118.584 118.172 0.412 25910 3907 1 13 . 1 1 28 28 GLU HA H 28 2.575 2.575 3.686 -1.111 25910 3908 1 13 . 1 1 28 28 GLU C C 28 177.127 177.127 178.934 -1.807 25910 3909 1 13 . 1 1 28 28 GLU CA C 28 59.522 59.522 59.480 0.042 25910 3910 1 13 . 1 1 28 28 GLU CB C 28 32.612 32.612 29.442 3.171 25910 3911 1 13 . 1 1 28 28 GLU H H 28 8.284 8.284 8.492 -0.208 25910 3912 1 13 . 1 1 29 29 LYS N N 29 118.504 118.504 118.106 0.398 25910 3913 1 13 . 1 1 29 29 LYS HA H 29 3.654 3.654 3.944 -0.290 25910 3914 1 13 . 1 1 29 29 LYS C C 29 179.844 179.844 179.344 0.500 25910 3915 1 13 . 1 1 29 29 LYS CA C 29 59.589 59.589 58.587 1.002 25910 3916 1 13 . 1 1 29 29 LYS CB C 29 32.200 32.200 32.593 -0.392 25910 3917 1 13 . 1 1 29 29 LYS H H 29 6.861 6.861 7.365 -0.504 25910 3918 1 13 . 1 1 30 30 VAL N N 30 122.501 122.501 120.703 1.798 25910 3919 1 13 . 1 1 30 30 VAL HA H 30 3.550 3.550 3.656 -0.106 25910 3920 1 13 . 1 1 30 30 VAL C C 30 179.643 179.643 178.310 1.333 25910 3921 1 13 . 1 1 30 30 VAL CA C 30 65.870 65.870 66.392 -0.522 25910 3922 1 13 . 1 1 30 30 VAL CB C 30 31.729 31.729 31.915 -0.186 25910 3923 1 13 . 1 1 30 30 VAL H H 30 7.203 7.203 8.305 -1.102 25910 3924 1 13 . 1 1 31 31 PHE N N 31 122.601 122.601 118.030 4.571 25910 3925 1 13 . 1 1 31 31 PHE C C 31 178.161 178.161 177.326 0.835 25910 3926 1 13 . 1 1 31 31 PHE CA C 31 55.903 55.903 59.327 -3.424 25910 3927 1 13 . 1 1 31 31 PHE H H 31 8.398 8.398 8.338 0.060 25910 3928 1 13 . 1 1 32 32 LYS N N 32 124.739 124.739 121.434 3.305 25910 3929 1 13 . 1 1 32 32 LYS HA H 32 4.085 4.085 3.974 0.111 25910 3930 1 13 . 1 1 32 32 LYS C C 32 179.432 179.432 178.497 0.935 25910 3931 1 13 . 1 1 32 32 LYS CA C 32 59.714 59.714 60.565 -0.851 25910 3932 1 13 . 1 1 32 32 LYS CB C 32 31.660 31.660 31.969 -0.309 25910 3933 1 13 . 1 1 32 32 LYS H H 32 9.078 9.078 7.784 1.294 25910 3934 1 13 . 1 1 33 33 GLN N N 33 121.561 121.561 117.222 4.339 25910 3935 1 13 . 1 1 33 33 GLN HA H 33 3.986 3.986 4.008 -0.022 25910 3936 1 13 . 1 1 33 33 GLN C C 33 176.867 176.867 178.558 -1.691 25910 3937 1 13 . 1 1 33 33 GLN CA C 33 58.531 58.531 58.858 -0.327 25910 3938 1 13 . 1 1 33 33 GLN CB C 33 27.914 27.914 28.628 -0.714 25910 3939 1 13 . 1 1 33 33 GLN H H 33 7.325 7.325 7.737 -0.412 25910 3940 1 13 . 1 1 34 34 TYR N N 34 122.729 122.729 119.969 2.760 25910 3941 1 13 . 1 1 34 34 TYR HA H 34 4.206 4.206 4.180 0.026 25910 3942 1 13 . 1 1 34 34 TYR C C 34 178.875 178.875 177.065 1.810 25910 3943 1 13 . 1 1 34 34 TYR CA C 34 61.673 61.673 60.681 0.992 25910 3944 1 13 . 1 1 34 34 TYR CB C 34 38.779 38.779 38.237 0.542 25910 3945 1 13 . 1 1 34 34 TYR H H 34 8.165 8.165 8.198 -0.033 25910 3946 1 13 . 1 1 35 35 ALA N N 35 124.565 124.565 121.987 2.578 25910 3947 1 13 . 1 1 35 35 ALA HA H 35 3.754 3.754 3.324 0.430 25910 3948 1 13 . 1 1 35 35 ALA C C 35 174.251 174.251 179.494 -5.243 25910 3949 1 13 . 1 1 35 35 ALA CA C 35 56.260 56.260 55.075 1.185 25910 3950 1 13 . 1 1 35 35 ALA CB C 35 17.622 17.622 18.022 -0.400 25910 3951 1 13 . 1 1 35 35 ALA H H 35 9.126 9.126 8.792 0.334 25910 3952 1 13 . 1 1 36 36 ASN N N 36 119.406 119.406 116.429 2.977 25910 3953 1 13 . 1 1 36 36 ASN HA H 36 4.370 4.370 4.564 -0.194 25910 3954 1 13 . 1 1 36 36 ASN C C 36 179.225 179.225 176.851 2.374 25910 3955 1 13 . 1 1 36 36 ASN CA C 36 56.845 56.845 55.503 1.342 25910 3956 1 13 . 1 1 36 36 ASN CB C 36 38.724 38.724 38.697 0.027 25910 3957 1 13 . 1 1 36 36 ASN H H 36 8.156 8.156 8.069 0.087 25910 3958 1 13 . 1 1 37 37 ASP N N 37 123.289 123.289 119.195 4.094 25910 3959 1 13 . 1 1 37 37 ASP HA H 37 4.291 4.291 4.393 -0.102 25910 3960 1 13 . 1 1 37 37 ASP C C 37 176.917 176.917 177.839 -0.922 25910 3961 1 13 . 1 1 37 37 ASP CA C 37 56.791 56.791 56.449 0.342 25910 3962 1 13 . 1 1 37 37 ASP CB C 37 41.927 41.927 41.056 0.871 25910 3963 1 13 . 1 1 37 37 ASP H H 37 8.854 8.854 7.844 1.010 25910 3964 1 13 . 1 1 38 38 ASN N N 38 117.154 117.154 116.721 0.433 25910 3965 1 13 . 1 1 38 38 ASN HA H 38 4.528 4.528 4.635 -0.107 25910 3966 1 13 . 1 1 38 38 ASN C C 38 173.809 173.809 175.344 -1.535 25910 3967 1 13 . 1 1 38 38 ASN CA C 38 53.604 53.604 53.287 0.317 25910 3968 1 13 . 1 1 38 38 ASN H H 38 7.302 7.302 8.020 -0.718 25910 3969 1 13 . 1 1 39 39 GLY N N 39 109.931 109.931 105.855 4.076 25910 3970 1 13 . 1 1 39 39 GLY C C 39 177.482 177.482 172.982 4.500 25910 3971 1 13 . 1 1 39 39 GLY CA C 39 46.647 46.647 44.983 1.664 25910 3972 1 13 . 1 1 39 39 GLY H H 39 7.716 7.716 7.379 0.337 25910 3973 1 13 . 1 1 40 40 VAL N N 40 122.793 122.793 119.829 2.964 25910 3974 1 13 . 1 1 40 40 VAL HA H 40 4.099 4.099 4.900 -0.801 25910 3975 1 13 . 1 1 40 40 VAL C C 40 173.752 173.752 174.328 -0.576 25910 3976 1 13 . 1 1 40 40 VAL CA C 40 61.738 61.738 60.992 0.745 25910 3977 1 13 . 1 1 40 40 VAL CB C 40 32.918 32.918 33.756 -0.838 25910 3978 1 13 . 1 1 40 40 VAL H H 40 8.027 8.027 7.789 0.238 25910 3979 1 13 . 1 1 41 41 ASP N N 41 129.935 129.935 128.580 1.355 25910 3980 1 13 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.884 -0.059 25910 3981 1 13 . 1 1 41 41 ASP C C 41 174.270 174.270 175.354 -1.084 25910 3982 1 13 . 1 1 41 41 ASP CA C 41 52.473 52.473 53.753 -1.280 25910 3983 1 13 . 1 1 41 41 ASP CB C 41 42.513 42.513 43.007 -0.494 25910 3984 1 13 . 1 1 41 41 ASP H H 41 8.588 8.588 8.740 -0.152 25910 3985 1 13 . 1 1 42 42 GLY N N 42 109.126 109.126 110.661 -1.535 25910 3986 1 13 . 1 1 42 42 GLY C C 42 171.778 171.778 173.466 -1.688 25910 3987 1 13 . 1 1 42 42 GLY CA C 42 45.243 45.243 44.272 0.971 25910 3988 1 13 . 1 1 42 42 GLY H H 42 7.672 7.672 7.790 -0.118 25910 3989 1 13 . 1 1 43 43 GLU N N 43 122.448 122.448 121.612 0.836 25910 3990 1 13 . 1 1 43 43 GLU HA H 43 4.628 4.628 4.586 0.042 25910 3991 1 13 . 1 1 43 43 GLU C C 43 176.874 176.874 176.308 0.566 25910 3992 1 13 . 1 1 43 43 GLU CA C 43 55.350 55.350 54.812 0.538 25910 3993 1 13 . 1 1 43 43 GLU CB C 43 31.207 31.207 30.156 1.051 25910 3994 1 13 . 1 1 43 43 GLU H H 43 8.089 8.089 8.285 -0.196 25910 3995 1 13 . 1 1 44 44 TRP N N 44 130.232 130.232 127.051 3.181 25910 3996 1 13 . 1 1 44 44 TRP HA H 44 5.313 5.313 5.293 0.020 25910 3997 1 13 . 1 1 44 44 TRP C C 44 176.867 176.867 177.273 -0.406 25910 3998 1 13 . 1 1 44 44 TRP CA C 44 57.688 57.688 56.992 0.696 25910 3999 1 13 . 1 1 44 44 TRP CB C 44 30.268 30.268 30.238 0.030 25910 4000 1 13 . 1 1 44 44 TRP H H 44 9.284 9.284 8.723 0.561 25910 4001 1 13 . 1 1 45 45 THR N N 45 116.544 116.544 119.559 -3.015 25910 4002 1 13 . 1 1 45 45 THR HA H 45 4.626 4.626 4.810 -0.184 25910 4003 1 13 . 1 1 45 45 THR C C 45 172.518 172.518 172.626 -0.108 25910 4004 1 13 . 1 1 45 45 THR CA C 45 60.392 60.392 61.887 -1.495 25910 4005 1 13 . 1 1 45 45 THR CB C 45 72.517 72.517 71.082 1.435 25910 4006 1 13 . 1 1 45 45 THR H H 45 9.192 9.192 9.542 -0.350 25910 4007 1 13 . 1 1 46 46 TYR N N 46 122.420 122.420 124.019 -1.599 25910 4008 1 13 . 1 1 46 46 TYR HA H 46 4.375 4.375 5.186 -0.810 25910 4009 1 13 . 1 1 46 46 TYR C C 46 173.077 173.077 174.227 -1.150 25910 4010 1 13 . 1 1 46 46 TYR CA C 46 56.663 56.663 54.769 1.894 25910 4011 1 13 . 1 1 46 46 TYR CB C 46 38.701 38.701 39.581 -0.880 25910 4012 1 13 . 1 1 46 46 TYR H H 46 8.512 8.512 8.221 0.291 25910 4013 1 13 . 1 1 47 47 ASP N N 47 130.329 130.329 124.099 6.230 25910 4014 1 13 . 1 1 47 47 ASP HA H 47 4.520 4.520 4.836 -0.316 25910 4015 1 13 . 1 1 47 47 ASP C C 47 174.266 174.266 175.826 -1.560 25910 4016 1 13 . 1 1 47 47 ASP CA C 47 51.864 51.864 53.444 -1.580 25910 4017 1 13 . 1 1 47 47 ASP CB C 47 42.670 42.670 42.637 0.033 25910 4018 1 13 . 1 1 47 47 ASP H H 47 7.613 7.613 8.873 -1.260 25910 4019 1 13 . 1 1 48 48 ASP N N 48 126.699 126.699 126.022 0.677 25910 4020 1 13 . 1 1 48 48 ASP HA H 48 4.019 4.019 4.417 -0.398 25910 4021 1 13 . 1 1 48 48 ASP C C 48 177.981 177.981 176.530 1.451 25910 4022 1 13 . 1 1 48 48 ASP CA C 48 56.198 56.198 56.727 -0.529 25910 4023 1 13 . 1 1 48 48 ASP CB C 48 41.614 41.614 40.830 0.784 25910 4024 1 13 . 1 1 48 48 ASP H H 48 8.422 8.422 8.936 -0.514 25910 4025 1 13 . 1 1 49 49 ALA N N 49 121.819 121.819 122.627 -0.808 25910 4026 1 13 . 1 1 49 49 ALA HA H 49 4.021 4.021 4.211 -0.190 25910 4027 1 13 . 1 1 49 49 ALA C C 49 179.522 179.522 179.439 0.083 25910 4028 1 13 . 1 1 49 49 ALA CA C 49 54.829 54.829 53.948 0.881 25910 4029 1 13 . 1 1 49 49 ALA CB C 49 18.168 18.168 19.097 -0.929 25910 4030 1 13 . 1 1 49 49 ALA H H 49 8.202 8.202 8.085 0.117 25910 4031 1 13 . 1 1 50 50 THR N N 50 105.089 105.089 108.662 -3.573 25910 4032 1 13 . 1 1 50 50 THR HA H 50 4.318 4.318 4.239 0.078 25910 4033 1 13 . 1 1 50 50 THR C C 50 174.943 174.943 175.012 -0.069 25910 4034 1 13 . 1 1 50 50 THR CA C 50 60.343 60.343 63.064 -2.721 25910 4035 1 13 . 1 1 50 50 THR CB C 50 69.532 69.532 69.515 0.017 25910 4036 1 13 . 1 1 50 50 THR H H 50 6.890 6.890 8.580 -1.690 25910 4037 1 13 . 1 1 51 51 LYS N N 51 125.512 125.512 118.013 7.499 25910 4038 1 13 . 1 1 51 51 LYS HA H 51 4.079 4.079 3.830 0.249 25910 4039 1 13 . 1 1 51 51 LYS C C 51 174.733 174.733 174.865 -0.132 25910 4040 1 13 . 1 1 51 51 LYS CA C 51 57.119 57.119 57.023 0.096 25910 4041 1 13 . 1 1 51 51 LYS CB C 51 33.975 33.975 29.857 4.119 25910 4042 1 13 . 1 1 51 51 LYS H H 51 7.764 7.764 8.337 -0.573 25910 4043 1 13 . 1 1 52 52 THR N N 52 112.742 112.742 109.554 3.188 25910 4044 1 13 . 1 1 52 52 THR HA H 52 5.437 5.437 5.445 -0.008 25910 4045 1 13 . 1 1 52 52 THR C C 52 174.733 174.733 173.194 1.539 25910 4046 1 13 . 1 1 52 52 THR CA C 52 62.078 62.078 60.233 1.845 25910 4047 1 13 . 1 1 52 52 THR CB C 52 63.076 63.076 72.128 -9.052 25910 4048 1 13 . 1 1 52 52 THR H H 52 7.261 7.261 8.065 -0.804 25910 4049 1 13 . 1 1 53 53 PHE N N 53 132.937 132.937 123.557 9.380 25910 4050 1 13 . 1 1 53 53 PHE HA H 53 5.641 5.641 5.345 0.296 25910 4051 1 13 . 1 1 53 53 PHE C C 53 174.377 174.377 173.994 0.383 25910 4052 1 13 . 1 1 53 53 PHE CA C 53 56.995 56.995 56.002 0.994 25910 4053 1 13 . 1 1 53 53 PHE CB C 53 42.679 42.679 42.060 0.619 25910 4054 1 13 . 1 1 53 53 PHE H H 53 10.363 10.363 9.434 0.929 25910 4055 1 13 . 1 1 54 54 THR N N 54 119.069 119.069 123.813 -4.744 25910 4056 1 13 . 1 1 54 54 THR HA H 54 5.140 5.140 4.941 0.199 25910 4057 1 13 . 1 1 54 54 THR C C 54 172.417 172.417 173.528 -1.111 25910 4058 1 13 . 1 1 54 54 THR CA C 54 61.408 61.408 61.968 -0.560 25910 4059 1 13 . 1 1 54 54 THR CB C 54 65.839 65.839 70.134 -4.295 25910 4060 1 13 . 1 1 54 54 THR H H 54 9.011 9.011 9.398 -0.387 25910 4061 1 13 . 1 1 55 55 VAL N N 55 125.268 125.268 127.557 -2.289 25910 4062 1 13 . 1 1 55 55 VAL HA H 55 4.382 4.382 4.135 0.247 25910 4063 1 13 . 1 1 55 55 VAL CA C 55 57.834 57.834 60.777 -2.943 25910 4064 1 13 . 1 1 55 55 VAL CB C 55 32.223 32.223 30.590 1.633 25910 4065 1 13 . 1 1 55 55 VAL H H 55 8.122 8.122 8.527 -0.405 25910 4066 1 13 . 1 1 56 56 THR N N 56 125.548 125.548 125.267 0.281 25910 4067 1 13 . 1 1 56 56 THR C C 56 173.901 173.901 173.444 0.457 25910 4068 1 13 . 1 1 56 56 THR CA C 56 61.272 61.272 62.039 -0.768 25910 4069 1 13 . 1 1 56 56 THR H H 56 8.306 8.306 8.749 -0.443 25910 4070 1 14 . 1 1 2 2 GLY N N 2 113.750 113.750 111.527 2.223 25910 4071 1 14 . 1 1 2 2 GLY C C 2 176.605 176.605 173.459 3.146 25910 4072 1 14 . 1 1 2 2 GLY CA C 2 44.589 44.589 44.624 -0.035 25910 4073 1 14 . 1 1 2 2 GLY H H 2 8.454 8.454 8.813 -0.359 25910 4074 1 14 . 1 1 3 3 THR N N 3 118.182 118.182 122.695 -4.513 25910 4075 1 14 . 1 1 3 3 THR HA H 3 4.594 4.594 4.517 0.077 25910 4076 1 14 . 1 1 3 3 THR C C 3 173.943 173.943 173.587 0.356 25910 4077 1 14 . 1 1 3 3 THR CA C 3 62.633 62.633 62.381 0.252 25910 4078 1 14 . 1 1 3 3 THR CB C 3 72.413 72.413 68.922 3.491 25910 4079 1 14 . 1 1 3 3 THR H H 3 8.076 8.076 8.459 -0.383 25910 4080 1 14 . 1 1 4 4 TYR N N 4 128.256 128.256 127.713 0.543 25910 4081 1 14 . 1 1 4 4 TYR HA H 4 5.271 5.271 4.873 0.398 25910 4082 1 14 . 1 1 4 4 TYR C C 4 174.213 174.213 175.159 -0.946 25910 4083 1 14 . 1 1 4 4 TYR CA C 4 56.625 56.625 58.081 -1.456 25910 4084 1 14 . 1 1 4 4 TYR CB C 4 42.657 42.657 40.548 2.109 25910 4085 1 14 . 1 1 4 4 TYR H H 4 9.273 9.273 8.947 0.326 25910 4086 1 14 . 1 1 5 5 LYS N N 5 124.678 124.678 125.873 -1.195 25910 4087 1 14 . 1 1 5 5 LYS HA H 5 5.169 5.169 4.676 0.493 25910 4088 1 14 . 1 1 5 5 LYS C C 5 172.616 172.616 174.838 -2.222 25910 4089 1 14 . 1 1 5 5 LYS CA C 5 54.875 54.875 55.509 -0.634 25910 4090 1 14 . 1 1 5 5 LYS CB C 5 28.908 28.908 33.689 -4.781 25910 4091 1 14 . 1 1 5 5 LYS H H 5 9.075 9.075 9.083 -0.008 25910 4092 1 14 . 1 1 6 6 LEU N N 6 128.375 128.375 128.505 -0.130 25910 4093 1 14 . 1 1 6 6 LEU HA H 6 4.839 4.839 4.899 -0.060 25910 4094 1 14 . 1 1 6 6 LEU C C 6 174.425 174.425 175.159 -0.734 25910 4095 1 14 . 1 1 6 6 LEU CA C 6 52.459 52.459 53.527 -1.068 25910 4096 1 14 . 1 1 6 6 LEU H H 6 8.541 8.541 8.646 -0.105 25910 4097 1 14 . 1 1 7 7 ILE N N 7 128.123 128.123 125.565 2.558 25910 4098 1 14 . 1 1 7 7 ILE HA H 7 4.221 4.221 4.593 -0.372 25910 4099 1 14 . 1 1 7 7 ILE C C 7 174.566 174.566 174.133 0.433 25910 4100 1 14 . 1 1 7 7 ILE CA C 7 60.226 60.226 60.215 0.012 25910 4101 1 14 . 1 1 7 7 ILE CB C 7 37.977 37.977 41.140 -3.163 25910 4102 1 14 . 1 1 7 7 ILE H H 7 9.020 9.020 8.463 0.557 25910 4103 1 14 . 1 1 8 8 LEU N N 8 127.628 127.628 128.171 -0.543 25910 4104 1 14 . 1 1 8 8 LEU HA H 8 4.383 4.383 4.444 -0.061 25910 4105 1 14 . 1 1 8 8 LEU C C 8 174.640 174.640 175.054 -0.414 25910 4106 1 14 . 1 1 8 8 LEU CA C 8 54.428 54.428 54.381 0.047 25910 4107 1 14 . 1 1 8 8 LEU CB C 8 42.014 42.014 43.011 -0.997 25910 4108 1 14 . 1 1 8 8 LEU H H 8 8.640 8.640 8.961 -0.321 25910 4109 1 14 . 1 1 9 9 ASN N N 9 128.380 128.380 124.887 3.493 25910 4110 1 14 . 1 1 9 9 ASN HA H 9 5.214 5.214 5.056 0.158 25910 4111 1 14 . 1 1 9 9 ASN C C 9 175.683 175.683 174.480 1.203 25910 4112 1 14 . 1 1 9 9 ASN CA C 9 50.778 50.778 52.095 -1.317 25910 4113 1 14 . 1 1 9 9 ASN CB C 9 37.691 37.691 40.524 -2.833 25910 4114 1 14 . 1 1 9 9 ASN H H 9 8.830 8.830 8.862 -0.032 25910 4115 1 14 . 1 1 10 10 GLY N N 10 111.563 111.563 109.690 1.873 25910 4116 1 14 . 1 1 10 10 GLY C C 10 173.311 173.311 174.255 -0.944 25910 4117 1 14 . 1 1 10 10 GLY CA C 10 44.735 44.735 44.096 0.639 25910 4118 1 14 . 1 1 10 10 GLY H H 10 7.831 7.831 8.082 -0.251 25910 4119 1 14 . 1 1 11 11 LYS N N 11 122.942 122.942 118.503 4.439 25910 4120 1 14 . 1 1 11 11 LYS HA H 11 3.990 3.990 4.365 -0.375 25910 4121 1 14 . 1 1 11 11 LYS C C 11 178.822 178.822 177.121 1.701 25910 4122 1 14 . 1 1 11 11 LYS CA C 11 58.885 58.885 57.705 1.180 25910 4123 1 14 . 1 1 11 11 LYS CB C 11 32.330 32.330 32.430 -0.100 25910 4124 1 14 . 1 1 11 11 LYS H H 11 9.419 9.419 8.613 0.806 25910 4125 1 14 . 1 1 12 12 THR N N 12 110.192 110.192 113.481 -3.289 25910 4126 1 14 . 1 1 12 12 THR HA H 12 4.312 4.312 4.285 0.027 25910 4127 1 14 . 1 1 12 12 THR C C 12 173.575 173.575 173.677 -0.102 25910 4128 1 14 . 1 1 12 12 THR CA C 12 61.517 61.517 63.680 -2.163 25910 4129 1 14 . 1 1 12 12 THR CB C 12 69.598 69.598 69.627 -0.029 25910 4130 1 14 . 1 1 12 12 THR H H 12 8.743 8.743 8.398 0.345 25910 4131 1 14 . 1 1 13 13 LEU N N 13 127.300 127.300 118.568 8.732 25910 4132 1 14 . 1 1 13 13 LEU HA H 13 4.401 4.401 4.906 -0.505 25910 4133 1 14 . 1 1 13 13 LEU C C 13 173.148 173.148 174.388 -1.240 25910 4134 1 14 . 1 1 13 13 LEU CA C 13 54.953 54.953 53.219 1.734 25910 4135 1 14 . 1 1 13 13 LEU CB C 13 43.166 43.166 44.461 -1.295 25910 4136 1 14 . 1 1 13 13 LEU H H 13 7.273 7.273 7.447 -0.174 25910 4137 1 14 . 1 1 14 14 LYS N N 14 125.544 125.544 119.038 6.506 25910 4138 1 14 . 1 1 14 14 LYS HA H 14 5.097 5.097 4.999 0.098 25910 4139 1 14 . 1 1 14 14 LYS C C 14 176.255 176.255 175.258 0.997 25910 4140 1 14 . 1 1 14 14 LYS CA C 14 53.661 53.661 54.925 -1.264 25910 4141 1 14 . 1 1 14 14 LYS CB C 14 34.743 34.743 36.442 -1.699 25910 4142 1 14 . 1 1 14 14 LYS H H 14 8.062 8.062 8.291 -0.229 25910 4143 1 14 . 1 1 15 15 GLY N N 15 111.144 111.144 107.849 3.295 25910 4144 1 14 . 1 1 15 15 GLY C C 15 171.151 171.151 172.163 -1.012 25910 4145 1 14 . 1 1 15 15 GLY CA C 15 45.006 45.006 45.263 -0.257 25910 4146 1 14 . 1 1 15 15 GLY H H 15 8.349 8.349 8.571 -0.222 25910 4147 1 14 . 1 1 16 16 GLU N N 16 120.581 120.581 121.077 -0.496 25910 4148 1 14 . 1 1 16 16 GLU HA H 16 5.546 5.546 5.228 0.318 25910 4149 1 14 . 1 1 16 16 GLU C C 16 175.034 175.034 174.749 0.285 25910 4150 1 14 . 1 1 16 16 GLU CA C 16 54.528 54.528 55.472 -0.944 25910 4151 1 14 . 1 1 16 16 GLU CB C 16 33.817 33.817 32.148 1.669 25910 4152 1 14 . 1 1 16 16 GLU H H 16 8.346 8.346 8.715 -0.369 25910 4153 1 14 . 1 1 17 17 THR N N 17 117.658 117.658 117.433 0.225 25910 4154 1 14 . 1 1 17 17 THR HA H 17 4.622 4.622 4.789 -0.167 25910 4155 1 14 . 1 1 17 17 THR C C 17 171.834 171.834 172.807 -0.973 25910 4156 1 14 . 1 1 17 17 THR CA C 17 60.610 60.610 59.916 0.694 25910 4157 1 14 . 1 1 17 17 THR CB C 17 69.030 69.030 71.124 -2.094 25910 4158 1 14 . 1 1 17 17 THR H H 17 8.636 8.636 8.684 -0.048 25910 4159 1 14 . 1 1 18 18 THR N N 18 113.707 113.707 112.410 1.297 25910 4160 1 14 . 1 1 18 18 THR HA H 18 5.794 5.794 5.419 0.375 25910 4161 1 14 . 1 1 18 18 THR C C 18 173.871 173.871 173.883 -0.012 25910 4162 1 14 . 1 1 18 18 THR CA C 18 59.750 59.750 61.093 -1.343 25910 4163 1 14 . 1 1 18 18 THR CB C 18 73.077 73.077 72.050 1.027 25910 4164 1 14 . 1 1 18 18 THR H H 18 7.970 7.970 8.326 -0.356 25910 4165 1 14 . 1 1 19 19 THR N N 19 116.670 116.670 120.315 -3.645 25910 4166 1 14 . 1 1 19 19 THR HA H 19 4.606 4.606 4.763 -0.157 25910 4167 1 14 . 1 1 19 19 THR C C 19 171.009 171.009 172.983 -1.974 25910 4168 1 14 . 1 1 19 19 THR CA C 19 62.179 62.179 61.415 0.764 25910 4169 1 14 . 1 1 19 19 THR CB C 19 70.463 70.463 71.955 -1.492 25910 4170 1 14 . 1 1 19 19 THR H H 19 9.018 9.018 9.007 0.011 25910 4171 1 14 . 1 1 20 20 GLU N N 20 126.491 126.491 124.902 1.589 25910 4172 1 14 . 1 1 20 20 GLU HA H 20 5.528 5.528 5.261 0.267 25910 4173 1 14 . 1 1 20 20 GLU C C 20 176.205 176.205 175.000 1.205 25910 4174 1 14 . 1 1 20 20 GLU CA C 20 54.574 54.574 55.102 -0.528 25910 4175 1 14 . 1 1 20 20 GLU CB C 20 30.757 30.757 31.261 -0.504 25910 4176 1 14 . 1 1 20 20 GLU H H 20 7.922 7.922 8.602 -0.680 25910 4177 1 14 . 1 1 21 21 ALA N N 21 126.835 126.835 126.721 0.114 25910 4178 1 14 . 1 1 21 21 ALA HA H 21 4.740 4.740 4.678 0.062 25910 4179 1 14 . 1 1 21 21 ALA C C 21 177.223 177.223 175.729 1.494 25910 4180 1 14 . 1 1 21 21 ALA CA C 21 50.945 50.945 51.462 -0.518 25910 4181 1 14 . 1 1 21 21 ALA CB C 21 23.578 23.578 22.186 1.392 25910 4182 1 14 . 1 1 21 21 ALA H H 21 9.183 9.183 9.183 -0.000 25910 4183 1 14 . 1 1 22 22 VAL N N 22 117.316 117.316 118.423 -1.107 25910 4184 1 14 . 1 1 22 22 VAL HA H 22 4.137 4.137 4.030 0.107 25910 4185 1 14 . 1 1 22 22 VAL C C 22 174.432 174.432 175.017 -0.585 25910 4186 1 14 . 1 1 22 22 VAL CA C 22 63.321 63.321 64.421 -1.100 25910 4187 1 14 . 1 1 22 22 VAL CB C 22 32.120 32.120 32.220 -0.100 25910 4188 1 14 . 1 1 22 22 VAL H H 22 8.519 8.519 8.619 -0.100 25910 4189 1 14 . 1 1 23 23 ASP N N 23 116.395 116.395 115.641 0.754 25910 4190 1 14 . 1 1 23 23 ASP HA H 23 4.580 4.580 5.017 -0.437 25910 4191 1 14 . 1 1 23 23 ASP C C 23 174.391 174.391 175.745 -1.354 25910 4192 1 14 . 1 1 23 23 ASP CA C 23 52.345 52.345 53.376 -1.031 25910 4193 1 14 . 1 1 23 23 ASP CB C 23 42.149 42.149 43.785 -1.636 25910 4194 1 14 . 1 1 23 23 ASP H H 23 7.191 7.191 7.624 -0.433 25910 4195 1 14 . 1 1 24 24 ALA N N 24 123.019 123.019 122.847 0.172 25910 4196 1 14 . 1 1 24 24 ALA HA H 24 3.349 3.349 3.455 -0.106 25910 4197 1 14 . 1 1 24 24 ALA C C 24 179.001 179.001 178.355 0.646 25910 4198 1 14 . 1 1 24 24 ALA CA C 24 54.346 54.346 54.910 -0.564 25910 4199 1 14 . 1 1 24 24 ALA CB C 24 17.327 17.327 18.645 -1.318 25910 4200 1 14 . 1 1 24 24 ALA H H 24 8.315 8.315 8.602 -0.287 25910 4201 1 14 . 1 1 25 25 ALA N N 25 122.203 122.203 120.858 1.345 25910 4202 1 14 . 1 1 25 25 ALA HA H 25 3.891 3.891 3.972 -0.081 25910 4203 1 14 . 1 1 25 25 ALA C C 25 180.736 180.736 179.576 1.160 25910 4204 1 14 . 1 1 25 25 ALA CA C 25 54.646 54.646 54.966 -0.320 25910 4205 1 14 . 1 1 25 25 ALA CB C 25 17.623 17.623 17.778 -0.155 25910 4206 1 14 . 1 1 25 25 ALA H H 25 7.982 7.982 8.302 -0.320 25910 4207 1 14 . 1 1 26 26 THR N N 26 118.231 118.231 114.839 3.392 25910 4208 1 14 . 1 1 26 26 THR HA H 26 3.973 3.973 3.904 0.069 25910 4209 1 14 . 1 1 26 26 THR C C 26 175.969 175.969 176.120 -0.151 25910 4210 1 14 . 1 1 26 26 THR CA C 26 66.690 66.690 65.941 0.749 25910 4211 1 14 . 1 1 26 26 THR CB C 26 66.977 66.977 68.462 -1.484 25910 4212 1 14 . 1 1 26 26 THR H H 26 8.258 8.258 7.469 0.789 25910 4213 1 14 . 1 1 27 27 ALA N N 27 125.522 125.522 124.528 0.994 25910 4214 1 14 . 1 1 27 27 ALA HA H 27 3.008 3.008 3.250 -0.242 25910 4215 1 14 . 1 1 27 27 ALA C C 27 176.928 176.928 178.251 -1.323 25910 4216 1 14 . 1 1 27 27 ALA CA C 27 54.544 54.544 54.959 -0.415 25910 4217 1 14 . 1 1 27 27 ALA CB C 27 17.299 17.299 17.421 -0.122 25910 4218 1 14 . 1 1 27 27 ALA H H 27 6.992 6.992 7.257 -0.265 25910 4219 1 14 . 1 1 28 28 GLU N N 28 118.584 118.584 118.447 0.137 25910 4220 1 14 . 1 1 28 28 GLU HA H 28 2.575 2.575 3.522 -0.947 25910 4221 1 14 . 1 1 28 28 GLU C C 28 177.127 177.127 178.412 -1.285 25910 4222 1 14 . 1 1 28 28 GLU CA C 28 59.522 59.522 59.497 0.025 25910 4223 1 14 . 1 1 28 28 GLU CB C 28 32.612 32.612 29.472 3.140 25910 4224 1 14 . 1 1 28 28 GLU H H 28 8.284 8.284 8.336 -0.052 25910 4225 1 14 . 1 1 29 29 LYS N N 29 118.504 118.504 118.875 -0.371 25910 4226 1 14 . 1 1 29 29 LYS HA H 29 3.654 3.654 3.836 -0.182 25910 4227 1 14 . 1 1 29 29 LYS C C 29 179.844 179.844 179.193 0.651 25910 4228 1 14 . 1 1 29 29 LYS CA C 29 59.589 59.589 59.134 0.455 25910 4229 1 14 . 1 1 29 29 LYS CB C 29 32.200 32.200 32.377 -0.177 25910 4230 1 14 . 1 1 29 29 LYS H H 29 6.861 6.861 7.325 -0.464 25910 4231 1 14 . 1 1 30 30 VAL N N 30 122.501 122.501 119.075 3.426 25910 4232 1 14 . 1 1 30 30 VAL HA H 30 3.550 3.550 3.596 -0.046 25910 4233 1 14 . 1 1 30 30 VAL C C 30 179.643 179.643 178.671 0.972 25910 4234 1 14 . 1 1 30 30 VAL CA C 30 65.870 65.870 66.185 -0.315 25910 4235 1 14 . 1 1 30 30 VAL CB C 30 31.729 31.729 31.796 -0.067 25910 4236 1 14 . 1 1 30 30 VAL H H 30 7.203 7.203 7.647 -0.444 25910 4237 1 14 . 1 1 31 31 PHE N N 31 122.601 122.601 118.540 4.061 25910 4238 1 14 . 1 1 31 31 PHE C C 31 178.161 178.161 177.811 0.350 25910 4239 1 14 . 1 1 31 31 PHE CA C 31 55.903 55.903 59.206 -3.303 25910 4240 1 14 . 1 1 31 31 PHE H H 31 8.398 8.398 8.566 -0.168 25910 4241 1 14 . 1 1 32 32 LYS N N 32 124.739 124.739 119.918 4.821 25910 4242 1 14 . 1 1 32 32 LYS HA H 32 4.085 4.085 3.742 0.343 25910 4243 1 14 . 1 1 32 32 LYS C C 32 179.432 179.432 178.962 0.470 25910 4244 1 14 . 1 1 32 32 LYS CA C 32 59.714 59.714 59.945 -0.231 25910 4245 1 14 . 1 1 32 32 LYS CB C 32 31.660 31.660 31.924 -0.264 25910 4246 1 14 . 1 1 32 32 LYS H H 32 9.078 9.078 7.917 1.161 25910 4247 1 14 . 1 1 33 33 GLN N N 33 121.561 121.561 118.060 3.501 25910 4248 1 14 . 1 1 33 33 GLN HA H 33 3.986 3.986 4.069 -0.083 25910 4249 1 14 . 1 1 33 33 GLN C C 33 176.867 176.867 178.352 -1.485 25910 4250 1 14 . 1 1 33 33 GLN CA C 33 58.531 58.531 58.810 -0.279 25910 4251 1 14 . 1 1 33 33 GLN CB C 33 27.914 27.914 28.826 -0.912 25910 4252 1 14 . 1 1 33 33 GLN H H 33 7.325 7.325 7.884 -0.559 25910 4253 1 14 . 1 1 34 34 TYR N N 34 122.729 122.729 121.174 1.555 25910 4254 1 14 . 1 1 34 34 TYR HA H 34 4.206 4.206 4.153 0.053 25910 4255 1 14 . 1 1 34 34 TYR C C 34 178.875 178.875 177.395 1.480 25910 4256 1 14 . 1 1 34 34 TYR CA C 34 61.673 61.673 60.866 0.807 25910 4257 1 14 . 1 1 34 34 TYR CB C 34 38.779 38.779 38.333 0.446 25910 4258 1 14 . 1 1 34 34 TYR H H 34 8.165 8.165 7.798 0.367 25910 4259 1 14 . 1 1 35 35 ALA N N 35 124.565 124.565 120.064 4.501 25910 4260 1 14 . 1 1 35 35 ALA HA H 35 3.754 3.754 3.707 0.047 25910 4261 1 14 . 1 1 35 35 ALA C C 35 174.251 174.251 179.653 -5.402 25910 4262 1 14 . 1 1 35 35 ALA CA C 35 56.260 56.260 55.092 1.168 25910 4263 1 14 . 1 1 35 35 ALA CB C 35 17.622 17.622 18.245 -0.623 25910 4264 1 14 . 1 1 35 35 ALA H H 35 9.126 9.126 8.593 0.533 25910 4265 1 14 . 1 1 36 36 ASN N N 36 119.406 119.406 117.518 1.888 25910 4266 1 14 . 1 1 36 36 ASN HA H 36 4.370 4.370 4.602 -0.232 25910 4267 1 14 . 1 1 36 36 ASN C C 36 179.225 179.225 178.027 1.198 25910 4268 1 14 . 1 1 36 36 ASN CA C 36 56.845 56.845 56.096 0.749 25910 4269 1 14 . 1 1 36 36 ASN CB C 36 38.724 38.724 38.669 0.055 25910 4270 1 14 . 1 1 36 36 ASN H H 36 8.156 8.156 7.978 0.178 25910 4271 1 14 . 1 1 37 37 ASP N N 37 123.289 123.289 119.982 3.307 25910 4272 1 14 . 1 1 37 37 ASP HA H 37 4.291 4.291 4.519 -0.228 25910 4273 1 14 . 1 1 37 37 ASP C C 37 176.917 176.917 177.336 -0.419 25910 4274 1 14 . 1 1 37 37 ASP CA C 37 56.791 56.791 56.071 0.721 25910 4275 1 14 . 1 1 37 37 ASP CB C 37 41.927 41.927 40.994 0.933 25910 4276 1 14 . 1 1 37 37 ASP H H 37 8.854 8.854 8.192 0.662 25910 4277 1 14 . 1 1 38 38 ASN N N 38 117.154 117.154 116.158 0.996 25910 4278 1 14 . 1 1 38 38 ASN HA H 38 4.528 4.528 4.674 -0.146 25910 4279 1 14 . 1 1 38 38 ASN C C 38 173.809 173.809 175.288 -1.479 25910 4280 1 14 . 1 1 38 38 ASN CA C 38 53.604 53.604 52.322 1.282 25910 4281 1 14 . 1 1 38 38 ASN H H 38 7.302 7.302 7.461 -0.159 25910 4282 1 14 . 1 1 39 39 GLY N N 39 109.931 109.931 108.319 1.612 25910 4283 1 14 . 1 1 39 39 GLY C C 39 177.482 177.482 173.576 3.906 25910 4284 1 14 . 1 1 39 39 GLY CA C 39 46.647 46.647 45.387 1.260 25910 4285 1 14 . 1 1 39 39 GLY H H 39 7.716 7.716 7.674 0.042 25910 4286 1 14 . 1 1 40 40 VAL N N 40 122.793 122.793 120.234 2.559 25910 4287 1 14 . 1 1 40 40 VAL HA H 40 4.099 4.099 4.161 -0.062 25910 4288 1 14 . 1 1 40 40 VAL C C 40 173.752 173.752 173.441 0.311 25910 4289 1 14 . 1 1 40 40 VAL CA C 40 61.738 61.738 61.306 0.432 25910 4290 1 14 . 1 1 40 40 VAL CB C 40 32.918 32.918 33.837 -0.919 25910 4291 1 14 . 1 1 40 40 VAL H H 40 8.027 8.027 7.816 0.211 25910 4292 1 14 . 1 1 41 41 ASP N N 41 129.935 129.935 126.929 3.006 25910 4293 1 14 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.797 0.028 25910 4294 1 14 . 1 1 41 41 ASP C C 41 174.270 174.270 174.451 -0.181 25910 4295 1 14 . 1 1 41 41 ASP CA C 41 52.473 52.473 53.699 -1.226 25910 4296 1 14 . 1 1 41 41 ASP CB C 41 42.513 42.513 43.957 -1.444 25910 4297 1 14 . 1 1 41 41 ASP H H 41 8.588 8.588 8.558 0.030 25910 4298 1 14 . 1 1 42 42 GLY N N 42 109.126 109.126 109.739 -0.613 25910 4299 1 14 . 1 1 42 42 GLY C C 42 171.778 171.778 172.898 -1.120 25910 4300 1 14 . 1 1 42 42 GLY CA C 42 45.243 45.243 44.091 1.152 25910 4301 1 14 . 1 1 42 42 GLY H H 42 7.672 7.672 7.727 -0.055 25910 4302 1 14 . 1 1 43 43 GLU N N 43 122.448 122.448 120.725 1.723 25910 4303 1 14 . 1 1 43 43 GLU HA H 43 4.628 4.628 4.394 0.234 25910 4304 1 14 . 1 1 43 43 GLU C C 43 176.874 176.874 176.509 0.365 25910 4305 1 14 . 1 1 43 43 GLU CA C 43 55.350 55.350 55.339 0.011 25910 4306 1 14 . 1 1 43 43 GLU CB C 43 31.207 31.207 30.253 0.954 25910 4307 1 14 . 1 1 43 43 GLU H H 43 8.089 8.089 8.115 -0.026 25910 4308 1 14 . 1 1 44 44 TRP N N 44 130.232 130.232 127.951 2.281 25910 4309 1 14 . 1 1 44 44 TRP HA H 44 5.313 5.313 5.123 0.190 25910 4310 1 14 . 1 1 44 44 TRP C C 44 176.867 176.867 176.640 0.227 25910 4311 1 14 . 1 1 44 44 TRP CA C 44 57.688 57.688 56.973 0.715 25910 4312 1 14 . 1 1 44 44 TRP CB C 44 30.268 30.268 29.239 1.029 25910 4313 1 14 . 1 1 44 44 TRP H H 44 9.284 9.284 8.759 0.525 25910 4314 1 14 . 1 1 45 45 THR N N 45 116.544 116.544 119.906 -3.362 25910 4315 1 14 . 1 1 45 45 THR HA H 45 4.626 4.626 4.786 -0.160 25910 4316 1 14 . 1 1 45 45 THR C C 45 172.518 172.518 172.959 -0.441 25910 4317 1 14 . 1 1 45 45 THR CA C 45 60.392 60.392 61.419 -1.027 25910 4318 1 14 . 1 1 45 45 THR CB C 45 72.517 72.517 71.054 1.463 25910 4319 1 14 . 1 1 45 45 THR H H 45 9.192 9.192 8.769 0.423 25910 4320 1 14 . 1 1 46 46 TYR N N 46 122.420 122.420 121.618 0.802 25910 4321 1 14 . 1 1 46 46 TYR HA H 46 4.375 4.375 4.996 -0.621 25910 4322 1 14 . 1 1 46 46 TYR C C 46 173.077 173.077 174.036 -0.959 25910 4323 1 14 . 1 1 46 46 TYR CA C 46 56.663 56.663 54.463 2.200 25910 4324 1 14 . 1 1 46 46 TYR CB C 46 38.701 38.701 40.222 -1.521 25910 4325 1 14 . 1 1 46 46 TYR H H 46 8.512 8.512 7.962 0.550 25910 4326 1 14 . 1 1 47 47 ASP N N 47 130.329 130.329 121.605 8.724 25910 4327 1 14 . 1 1 47 47 ASP HA H 47 4.520 4.520 4.792 -0.272 25910 4328 1 14 . 1 1 47 47 ASP C C 47 174.266 174.266 174.974 -0.708 25910 4329 1 14 . 1 1 47 47 ASP CA C 47 51.864 51.864 52.603 -0.740 25910 4330 1 14 . 1 1 47 47 ASP CB C 47 42.670 42.670 43.509 -0.839 25910 4331 1 14 . 1 1 47 47 ASP H H 47 7.613 7.613 8.425 -0.812 25910 4332 1 14 . 1 1 48 48 ASP N N 48 126.699 126.699 123.771 2.928 25910 4333 1 14 . 1 1 48 48 ASP HA H 48 4.019 4.019 4.469 -0.450 25910 4334 1 14 . 1 1 48 48 ASP C C 48 177.981 177.981 177.277 0.704 25910 4335 1 14 . 1 1 48 48 ASP CA C 48 56.198 56.198 55.917 0.281 25910 4336 1 14 . 1 1 48 48 ASP CB C 48 41.614 41.614 40.907 0.707 25910 4337 1 14 . 1 1 48 48 ASP H H 48 8.422 8.422 8.625 -0.203 25910 4338 1 14 . 1 1 49 49 ALA N N 49 121.819 121.819 121.610 0.209 25910 4339 1 14 . 1 1 49 49 ALA HA H 49 4.021 4.021 4.147 -0.126 25910 4340 1 14 . 1 1 49 49 ALA C C 49 179.522 179.522 179.010 0.512 25910 4341 1 14 . 1 1 49 49 ALA CA C 49 54.829 54.829 54.682 0.147 25910 4342 1 14 . 1 1 49 49 ALA CB C 49 18.168 18.168 18.720 -0.552 25910 4343 1 14 . 1 1 49 49 ALA H H 49 8.202 8.202 7.839 0.363 25910 4344 1 14 . 1 1 50 50 THR N N 50 105.089 105.089 109.587 -4.498 25910 4345 1 14 . 1 1 50 50 THR HA H 50 4.318 4.318 4.378 -0.060 25910 4346 1 14 . 1 1 50 50 THR C C 50 174.943 174.943 174.449 0.494 25910 4347 1 14 . 1 1 50 50 THR CA C 50 60.343 60.343 61.777 -1.434 25910 4348 1 14 . 1 1 50 50 THR CB C 50 69.532 69.532 69.408 0.124 25910 4349 1 14 . 1 1 50 50 THR H H 50 6.890 6.890 8.227 -1.337 25910 4350 1 14 . 1 1 51 51 LYS N N 51 125.512 125.512 116.244 9.268 25910 4351 1 14 . 1 1 51 51 LYS HA H 51 4.079 4.079 3.819 0.260 25910 4352 1 14 . 1 1 51 51 LYS C C 51 174.733 174.733 175.582 -0.849 25910 4353 1 14 . 1 1 51 51 LYS CA C 51 57.119 57.119 57.768 -0.649 25910 4354 1 14 . 1 1 51 51 LYS CB C 51 33.975 33.975 29.748 4.227 25910 4355 1 14 . 1 1 51 51 LYS H H 51 7.764 7.764 7.733 0.031 25910 4356 1 14 . 1 1 52 52 THR N N 52 112.742 112.742 111.105 1.637 25910 4357 1 14 . 1 1 52 52 THR HA H 52 5.437 5.437 5.203 0.234 25910 4358 1 14 . 1 1 52 52 THR C C 52 174.733 174.733 173.880 0.853 25910 4359 1 14 . 1 1 52 52 THR CA C 52 62.078 62.078 61.215 0.863 25910 4360 1 14 . 1 1 52 52 THR CB C 52 63.076 63.076 69.728 -6.652 25910 4361 1 14 . 1 1 52 52 THR H H 52 7.261 7.261 7.556 -0.295 25910 4362 1 14 . 1 1 53 53 PHE N N 53 132.937 132.937 127.282 5.655 25910 4363 1 14 . 1 1 53 53 PHE HA H 53 5.641 5.641 5.420 0.221 25910 4364 1 14 . 1 1 53 53 PHE C C 53 174.377 174.377 173.888 0.489 25910 4365 1 14 . 1 1 53 53 PHE CA C 53 56.995 56.995 55.617 1.378 25910 4366 1 14 . 1 1 53 53 PHE CB C 53 42.679 42.679 42.036 0.643 25910 4367 1 14 . 1 1 53 53 PHE H H 53 10.363 10.363 9.421 0.942 25910 4368 1 14 . 1 1 54 54 THR N N 54 119.069 119.069 123.820 -4.751 25910 4369 1 14 . 1 1 54 54 THR HA H 54 5.140 5.140 5.145 -0.005 25910 4370 1 14 . 1 1 54 54 THR C C 54 172.417 172.417 173.479 -1.062 25910 4371 1 14 . 1 1 54 54 THR CA C 54 61.408 61.408 61.174 0.234 25910 4372 1 14 . 1 1 54 54 THR CB C 54 65.839 65.839 70.616 -4.777 25910 4373 1 14 . 1 1 54 54 THR H H 54 9.011 9.011 8.934 0.077 25910 4374 1 14 . 1 1 55 55 VAL N N 55 125.268 125.268 127.696 -2.428 25910 4375 1 14 . 1 1 55 55 VAL HA H 55 4.382 4.382 4.055 0.327 25910 4376 1 14 . 1 1 55 55 VAL CA C 55 57.834 57.834 60.569 -2.735 25910 4377 1 14 . 1 1 55 55 VAL CB C 55 32.223 32.223 30.202 2.021 25910 4378 1 14 . 1 1 55 55 VAL H H 55 8.122 8.122 8.671 -0.549 25910 4379 1 14 . 1 1 56 56 THR N N 56 125.548 125.548 124.302 1.246 25910 4380 1 14 . 1 1 56 56 THR C C 56 173.901 173.901 173.601 0.300 25910 4381 1 14 . 1 1 56 56 THR CA C 56 61.272 61.272 61.418 -0.146 25910 4382 1 14 . 1 1 56 56 THR H H 56 8.306 8.306 8.728 -0.422 25910 4383 1 15 . 1 1 2 2 GLY N N 2 113.750 113.750 108.708 5.042 25910 4384 1 15 . 1 1 2 2 GLY C C 2 176.605 176.605 173.134 3.471 25910 4385 1 15 . 1 1 2 2 GLY CA C 2 44.589 44.589 44.971 -0.382 25910 4386 1 15 . 1 1 2 2 GLY H H 2 8.454 8.454 8.444 0.010 25910 4387 1 15 . 1 1 3 3 THR N N 3 118.182 118.182 118.746 -0.564 25910 4388 1 15 . 1 1 3 3 THR HA H 3 4.594 4.594 4.483 0.111 25910 4389 1 15 . 1 1 3 3 THR C C 3 173.943 173.943 173.643 0.300 25910 4390 1 15 . 1 1 3 3 THR CA C 3 62.633 62.633 62.459 0.174 25910 4391 1 15 . 1 1 3 3 THR CB C 3 72.413 72.413 69.626 2.787 25910 4392 1 15 . 1 1 3 3 THR H H 3 8.076 8.076 8.075 0.001 25910 4393 1 15 . 1 1 4 4 TYR N N 4 128.256 128.256 128.725 -0.469 25910 4394 1 15 . 1 1 4 4 TYR HA H 4 5.271 5.271 4.783 0.488 25910 4395 1 15 . 1 1 4 4 TYR C C 4 174.213 174.213 175.650 -1.437 25910 4396 1 15 . 1 1 4 4 TYR CA C 4 56.625 56.625 57.818 -1.193 25910 4397 1 15 . 1 1 4 4 TYR CB C 4 42.657 42.657 39.068 3.589 25910 4398 1 15 . 1 1 4 4 TYR H H 4 9.273 9.273 8.444 0.829 25910 4399 1 15 . 1 1 5 5 LYS N N 5 124.678 124.678 125.402 -0.724 25910 4400 1 15 . 1 1 5 5 LYS HA H 5 5.169 5.169 4.657 0.512 25910 4401 1 15 . 1 1 5 5 LYS C C 5 172.616 172.616 175.254 -2.638 25910 4402 1 15 . 1 1 5 5 LYS CA C 5 54.875 54.875 56.161 -1.286 25910 4403 1 15 . 1 1 5 5 LYS CB C 5 28.908 28.908 32.944 -4.036 25910 4404 1 15 . 1 1 5 5 LYS H H 5 9.075 9.075 8.557 0.518 25910 4405 1 15 . 1 1 6 6 LEU N N 6 128.375 128.375 127.391 0.984 25910 4406 1 15 . 1 1 6 6 LEU HA H 6 4.839 4.839 4.903 -0.064 25910 4407 1 15 . 1 1 6 6 LEU C C 6 174.425 174.425 175.211 -0.786 25910 4408 1 15 . 1 1 6 6 LEU CA C 6 52.459 52.459 53.198 -0.739 25910 4409 1 15 . 1 1 6 6 LEU H H 6 8.541 8.541 8.652 -0.111 25910 4410 1 15 . 1 1 7 7 ILE N N 7 128.123 128.123 127.798 0.325 25910 4411 1 15 . 1 1 7 7 ILE HA H 7 4.221 4.221 4.549 -0.328 25910 4412 1 15 . 1 1 7 7 ILE C C 7 174.566 174.566 174.237 0.329 25910 4413 1 15 . 1 1 7 7 ILE CA C 7 60.226 60.226 59.856 0.370 25910 4414 1 15 . 1 1 7 7 ILE CB C 7 37.977 37.977 39.544 -1.567 25910 4415 1 15 . 1 1 7 7 ILE H H 7 9.020 9.020 8.778 0.242 25910 4416 1 15 . 1 1 8 8 LEU N N 8 127.628 127.628 129.427 -1.799 25910 4417 1 15 . 1 1 8 8 LEU HA H 8 4.383 4.383 4.205 0.178 25910 4418 1 15 . 1 1 8 8 LEU C C 8 174.640 174.640 175.202 -0.562 25910 4419 1 15 . 1 1 8 8 LEU CA C 8 54.428 54.428 54.698 -0.270 25910 4420 1 15 . 1 1 8 8 LEU CB C 8 42.014 42.014 42.245 -0.231 25910 4421 1 15 . 1 1 8 8 LEU H H 8 8.640 8.640 8.461 0.179 25910 4422 1 15 . 1 1 9 9 ASN N N 9 128.380 128.380 125.472 2.908 25910 4423 1 15 . 1 1 9 9 ASN HA H 9 5.214 5.214 5.010 0.204 25910 4424 1 15 . 1 1 9 9 ASN C C 9 175.683 175.683 174.631 1.052 25910 4425 1 15 . 1 1 9 9 ASN CA C 9 50.778 50.778 51.697 -0.919 25910 4426 1 15 . 1 1 9 9 ASN CB C 9 37.691 37.691 39.888 -2.197 25910 4427 1 15 . 1 1 9 9 ASN H H 9 8.830 8.830 8.855 -0.025 25910 4428 1 15 . 1 1 10 10 GLY N N 10 111.563 111.563 109.285 2.278 25910 4429 1 15 . 1 1 10 10 GLY C C 10 173.311 173.311 174.225 -0.914 25910 4430 1 15 . 1 1 10 10 GLY CA C 10 44.735 44.735 43.772 0.963 25910 4431 1 15 . 1 1 10 10 GLY H H 10 7.831 7.831 7.743 0.088 25910 4432 1 15 . 1 1 11 11 LYS N N 11 122.942 122.942 118.410 4.532 25910 4433 1 15 . 1 1 11 11 LYS HA H 11 3.990 3.990 4.273 -0.283 25910 4434 1 15 . 1 1 11 11 LYS C C 11 178.822 178.822 176.395 2.427 25910 4435 1 15 . 1 1 11 11 LYS CA C 11 58.885 58.885 57.371 1.514 25910 4436 1 15 . 1 1 11 11 LYS CB C 11 32.330 32.330 32.334 -0.004 25910 4437 1 15 . 1 1 11 11 LYS H H 11 9.419 9.419 8.322 1.097 25910 4438 1 15 . 1 1 12 12 THR N N 12 110.192 110.192 113.928 -3.736 25910 4439 1 15 . 1 1 12 12 THR HA H 12 4.312 4.312 4.395 -0.083 25910 4440 1 15 . 1 1 12 12 THR C C 12 173.575 173.575 174.006 -0.431 25910 4441 1 15 . 1 1 12 12 THR CA C 12 61.517 61.517 62.184 -0.666 25910 4442 1 15 . 1 1 12 12 THR CB C 12 69.598 69.598 69.919 -0.321 25910 4443 1 15 . 1 1 12 12 THR H H 12 8.743 8.743 7.971 0.772 25910 4444 1 15 . 1 1 13 13 LEU N N 13 127.300 127.300 120.086 7.214 25910 4445 1 15 . 1 1 13 13 LEU HA H 13 4.401 4.401 4.938 -0.537 25910 4446 1 15 . 1 1 13 13 LEU C C 13 173.148 173.148 174.333 -1.185 25910 4447 1 15 . 1 1 13 13 LEU CA C 13 54.953 54.953 53.540 1.413 25910 4448 1 15 . 1 1 13 13 LEU CB C 13 43.166 43.166 45.105 -1.939 25910 4449 1 15 . 1 1 13 13 LEU H H 13 7.273 7.273 7.644 -0.371 25910 4450 1 15 . 1 1 14 14 LYS N N 14 125.544 125.544 118.290 7.254 25910 4451 1 15 . 1 1 14 14 LYS HA H 14 5.097 5.097 4.920 0.177 25910 4452 1 15 . 1 1 14 14 LYS C C 14 176.255 176.255 175.551 0.704 25910 4453 1 15 . 1 1 14 14 LYS CA C 14 53.661 53.661 54.909 -1.248 25910 4454 1 15 . 1 1 14 14 LYS CB C 14 34.743 34.743 36.227 -1.484 25910 4455 1 15 . 1 1 14 14 LYS H H 14 8.062 8.062 8.148 -0.086 25910 4456 1 15 . 1 1 15 15 GLY N N 15 111.144 111.144 107.119 4.025 25910 4457 1 15 . 1 1 15 15 GLY C C 15 171.151 171.151 172.355 -1.204 25910 4458 1 15 . 1 1 15 15 GLY CA C 15 45.006 45.006 45.196 -0.190 25910 4459 1 15 . 1 1 15 15 GLY H H 15 8.349 8.349 8.438 -0.089 25910 4460 1 15 . 1 1 16 16 GLU N N 16 120.581 120.581 121.490 -0.909 25910 4461 1 15 . 1 1 16 16 GLU HA H 16 5.546 5.546 5.416 0.130 25910 4462 1 15 . 1 1 16 16 GLU C C 16 175.034 175.034 174.880 0.154 25910 4463 1 15 . 1 1 16 16 GLU CA C 16 54.528 54.528 55.333 -0.805 25910 4464 1 15 . 1 1 16 16 GLU CB C 16 33.817 33.817 32.515 1.302 25910 4465 1 15 . 1 1 16 16 GLU H H 16 8.346 8.346 8.476 -0.130 25910 4466 1 15 . 1 1 17 17 THR N N 17 117.658 117.658 118.038 -0.380 25910 4467 1 15 . 1 1 17 17 THR HA H 17 4.622 4.622 4.828 -0.206 25910 4468 1 15 . 1 1 17 17 THR C C 17 171.834 171.834 172.606 -0.772 25910 4469 1 15 . 1 1 17 17 THR CA C 17 60.610 60.610 60.590 0.020 25910 4470 1 15 . 1 1 17 17 THR CB C 17 69.030 69.030 71.013 -1.982 25910 4471 1 15 . 1 1 17 17 THR H H 17 8.636 8.636 8.808 -0.172 25910 4472 1 15 . 1 1 18 18 THR N N 18 113.707 113.707 112.777 0.930 25910 4473 1 15 . 1 1 18 18 THR HA H 18 5.794 5.794 5.297 0.497 25910 4474 1 15 . 1 1 18 18 THR C C 18 173.871 173.871 173.780 0.091 25910 4475 1 15 . 1 1 18 18 THR CA C 18 59.750 59.750 61.002 -1.252 25910 4476 1 15 . 1 1 18 18 THR CB C 18 73.077 73.077 71.803 1.274 25910 4477 1 15 . 1 1 18 18 THR H H 18 7.970 7.970 8.423 -0.453 25910 4478 1 15 . 1 1 19 19 THR N N 19 116.670 116.670 118.809 -2.139 25910 4479 1 15 . 1 1 19 19 THR HA H 19 4.606 4.606 4.771 -0.165 25910 4480 1 15 . 1 1 19 19 THR C C 19 171.009 171.009 172.904 -1.895 25910 4481 1 15 . 1 1 19 19 THR CA C 19 62.179 62.179 61.695 0.484 25910 4482 1 15 . 1 1 19 19 THR CB C 19 70.463 70.463 71.820 -1.357 25910 4483 1 15 . 1 1 19 19 THR H H 19 9.018 9.018 8.661 0.357 25910 4484 1 15 . 1 1 20 20 GLU N N 20 126.491 126.491 124.587 1.904 25910 4485 1 15 . 1 1 20 20 GLU HA H 20 5.528 5.528 5.179 0.349 25910 4486 1 15 . 1 1 20 20 GLU C C 20 176.205 176.205 175.245 0.960 25910 4487 1 15 . 1 1 20 20 GLU CA C 20 54.574 54.574 55.015 -0.441 25910 4488 1 15 . 1 1 20 20 GLU CB C 20 30.757 30.757 31.276 -0.520 25910 4489 1 15 . 1 1 20 20 GLU H H 20 7.922 7.922 8.588 -0.666 25910 4490 1 15 . 1 1 21 21 ALA N N 21 126.835 126.835 125.065 1.770 25910 4491 1 15 . 1 1 21 21 ALA HA H 21 4.740 4.740 4.651 0.089 25910 4492 1 15 . 1 1 21 21 ALA C C 21 177.223 177.223 175.514 1.709 25910 4493 1 15 . 1 1 21 21 ALA CA C 21 50.945 50.945 51.277 -0.332 25910 4494 1 15 . 1 1 21 21 ALA CB C 21 23.578 23.578 21.300 2.278 25910 4495 1 15 . 1 1 21 21 ALA H H 21 9.183 9.183 8.261 0.922 25910 4496 1 15 . 1 1 22 22 VAL N N 22 117.316 117.316 118.637 -1.321 25910 4497 1 15 . 1 1 22 22 VAL HA H 22 4.137 4.137 4.118 0.019 25910 4498 1 15 . 1 1 22 22 VAL C C 22 174.432 174.432 175.265 -0.833 25910 4499 1 15 . 1 1 22 22 VAL CA C 22 63.321 63.321 63.116 0.205 25910 4500 1 15 . 1 1 22 22 VAL CB C 22 32.120 32.120 32.491 -0.371 25910 4501 1 15 . 1 1 22 22 VAL H H 22 8.519 8.519 8.551 -0.032 25910 4502 1 15 . 1 1 23 23 ASP N N 23 116.395 116.395 116.378 0.017 25910 4503 1 15 . 1 1 23 23 ASP HA H 23 4.580 4.580 4.884 -0.304 25910 4504 1 15 . 1 1 23 23 ASP C C 23 174.391 174.391 175.831 -1.440 25910 4505 1 15 . 1 1 23 23 ASP CA C 23 52.345 52.345 53.376 -1.031 25910 4506 1 15 . 1 1 23 23 ASP CB C 23 42.149 42.149 42.614 -0.465 25910 4507 1 15 . 1 1 23 23 ASP H H 23 7.191 7.191 7.746 -0.555 25910 4508 1 15 . 1 1 24 24 ALA N N 24 123.019 123.019 123.108 -0.089 25910 4509 1 15 . 1 1 24 24 ALA HA H 24 3.349 3.349 3.533 -0.184 25910 4510 1 15 . 1 1 24 24 ALA C C 24 179.001 179.001 178.539 0.462 25910 4511 1 15 . 1 1 24 24 ALA CA C 24 54.346 54.346 55.153 -0.806 25910 4512 1 15 . 1 1 24 24 ALA CB C 24 17.327 17.327 18.117 -0.790 25910 4513 1 15 . 1 1 24 24 ALA H H 24 8.315 8.315 8.629 -0.314 25910 4514 1 15 . 1 1 25 25 ALA N N 25 122.203 122.203 120.954 1.249 25910 4515 1 15 . 1 1 25 25 ALA HA H 25 3.891 3.891 4.023 -0.132 25910 4516 1 15 . 1 1 25 25 ALA C C 25 180.736 180.736 179.674 1.062 25910 4517 1 15 . 1 1 25 25 ALA CA C 25 54.646 54.646 55.284 -0.638 25910 4518 1 15 . 1 1 25 25 ALA CB C 25 17.623 17.623 17.734 -0.111 25910 4519 1 15 . 1 1 25 25 ALA H H 25 7.982 7.982 8.471 -0.489 25910 4520 1 15 . 1 1 26 26 THR N N 26 118.231 118.231 115.324 2.907 25910 4521 1 15 . 1 1 26 26 THR HA H 26 3.973 3.973 3.965 0.008 25910 4522 1 15 . 1 1 26 26 THR C C 26 175.969 175.969 176.521 -0.552 25910 4523 1 15 . 1 1 26 26 THR CA C 26 66.690 66.690 66.247 0.443 25910 4524 1 15 . 1 1 26 26 THR CB C 26 66.977 66.977 68.525 -1.548 25910 4525 1 15 . 1 1 26 26 THR H H 26 8.258 8.258 7.481 0.776 25910 4526 1 15 . 1 1 27 27 ALA N N 27 125.522 125.522 124.084 1.438 25910 4527 1 15 . 1 1 27 27 ALA HA H 27 3.008 3.008 4.016 -1.008 25910 4528 1 15 . 1 1 27 27 ALA C C 27 176.928 176.928 179.234 -2.306 25910 4529 1 15 . 1 1 27 27 ALA CA C 27 54.544 54.544 55.561 -1.017 25910 4530 1 15 . 1 1 27 27 ALA CB C 27 17.299 17.299 17.931 -0.632 25910 4531 1 15 . 1 1 27 27 ALA H H 27 6.992 6.992 7.987 -0.995 25910 4532 1 15 . 1 1 28 28 GLU N N 28 118.584 118.584 118.425 0.159 25910 4533 1 15 . 1 1 28 28 GLU HA H 28 2.575 2.575 3.689 -1.114 25910 4534 1 15 . 1 1 28 28 GLU C C 28 177.127 177.127 178.924 -1.797 25910 4535 1 15 . 1 1 28 28 GLU CA C 28 59.522 59.522 59.490 0.032 25910 4536 1 15 . 1 1 28 28 GLU CB C 28 32.612 32.612 29.468 3.144 25910 4537 1 15 . 1 1 28 28 GLU H H 28 8.284 8.284 8.384 -0.100 25910 4538 1 15 . 1 1 29 29 LYS N N 29 118.504 118.504 118.226 0.278 25910 4539 1 15 . 1 1 29 29 LYS HA H 29 3.654 3.654 3.904 -0.250 25910 4540 1 15 . 1 1 29 29 LYS C C 29 179.844 179.844 179.652 0.192 25910 4541 1 15 . 1 1 29 29 LYS CA C 29 59.589 59.589 58.931 0.658 25910 4542 1 15 . 1 1 29 29 LYS CB C 29 32.200 32.200 32.509 -0.309 25910 4543 1 15 . 1 1 29 29 LYS H H 29 6.861 6.861 7.559 -0.698 25910 4544 1 15 . 1 1 30 30 VAL N N 30 122.501 122.501 120.543 1.958 25910 4545 1 15 . 1 1 30 30 VAL HA H 30 3.550 3.550 3.654 -0.104 25910 4546 1 15 . 1 1 30 30 VAL C C 30 179.643 179.643 178.071 1.572 25910 4547 1 15 . 1 1 30 30 VAL CA C 30 65.870 65.870 66.203 -0.333 25910 4548 1 15 . 1 1 30 30 VAL CB C 30 31.729 31.729 31.873 -0.144 25910 4549 1 15 . 1 1 30 30 VAL H H 30 7.203 7.203 8.247 -1.044 25910 4550 1 15 . 1 1 31 31 PHE N N 31 122.601 122.601 117.283 5.318 25910 4551 1 15 . 1 1 31 31 PHE C C 31 178.161 178.161 177.389 0.772 25910 4552 1 15 . 1 1 31 31 PHE CA C 31 55.903 55.903 60.830 -4.927 25910 4553 1 15 . 1 1 31 31 PHE H H 31 8.398 8.398 8.770 -0.372 25910 4554 1 15 . 1 1 32 32 LYS N N 32 124.739 124.739 120.455 4.284 25910 4555 1 15 . 1 1 32 32 LYS HA H 32 4.085 4.085 3.969 0.116 25910 4556 1 15 . 1 1 32 32 LYS C C 32 179.432 179.432 178.480 0.952 25910 4557 1 15 . 1 1 32 32 LYS CA C 32 59.714 59.714 59.998 -0.284 25910 4558 1 15 . 1 1 32 32 LYS CB C 32 31.660 31.660 31.956 -0.296 25910 4559 1 15 . 1 1 32 32 LYS H H 32 9.078 9.078 7.587 1.491 25910 4560 1 15 . 1 1 33 33 GLN N N 33 121.561 121.561 118.366 3.195 25910 4561 1 15 . 1 1 33 33 GLN HA H 33 3.986 3.986 3.997 -0.011 25910 4562 1 15 . 1 1 33 33 GLN C C 33 176.867 176.867 178.239 -1.372 25910 4563 1 15 . 1 1 33 33 GLN CA C 33 58.531 58.531 59.117 -0.587 25910 4564 1 15 . 1 1 33 33 GLN CB C 33 27.914 27.914 28.605 -0.692 25910 4565 1 15 . 1 1 33 33 GLN H H 33 7.325 7.325 7.900 -0.575 25910 4566 1 15 . 1 1 34 34 TYR N N 34 122.729 122.729 120.281 2.448 25910 4567 1 15 . 1 1 34 34 TYR HA H 34 4.206 4.206 4.220 -0.014 25910 4568 1 15 . 1 1 34 34 TYR C C 34 178.875 178.875 177.130 1.745 25910 4569 1 15 . 1 1 34 34 TYR CA C 34 61.673 61.673 60.830 0.843 25910 4570 1 15 . 1 1 34 34 TYR CB C 34 38.779 38.779 38.107 0.672 25910 4571 1 15 . 1 1 34 34 TYR H H 34 8.165 8.165 8.375 -0.210 25910 4572 1 15 . 1 1 35 35 ALA N N 35 124.565 124.565 121.124 3.441 25910 4573 1 15 . 1 1 35 35 ALA HA H 35 3.754 3.754 3.519 0.235 25910 4574 1 15 . 1 1 35 35 ALA C C 35 174.251 174.251 179.443 -5.192 25910 4575 1 15 . 1 1 35 35 ALA CA C 35 56.260 56.260 55.159 1.101 25910 4576 1 15 . 1 1 35 35 ALA CB C 35 17.622 17.622 18.128 -0.506 25910 4577 1 15 . 1 1 35 35 ALA H H 35 9.126 9.126 8.424 0.702 25910 4578 1 15 . 1 1 36 36 ASN N N 36 119.406 119.406 117.673 1.733 25910 4579 1 15 . 1 1 36 36 ASN HA H 36 4.370 4.370 4.443 -0.073 25910 4580 1 15 . 1 1 36 36 ASN C C 36 179.225 179.225 178.131 1.094 25910 4581 1 15 . 1 1 36 36 ASN CA C 36 56.845 56.845 56.007 0.838 25910 4582 1 15 . 1 1 36 36 ASN CB C 36 38.724 38.724 38.635 0.090 25910 4583 1 15 . 1 1 36 36 ASN H H 36 8.156 8.156 8.466 -0.310 25910 4584 1 15 . 1 1 37 37 ASP N N 37 123.289 123.289 119.921 3.368 25910 4585 1 15 . 1 1 37 37 ASP HA H 37 4.291 4.291 4.458 -0.167 25910 4586 1 15 . 1 1 37 37 ASP C C 37 176.917 176.917 178.010 -1.093 25910 4587 1 15 . 1 1 37 37 ASP CA C 37 56.791 56.791 56.591 0.200 25910 4588 1 15 . 1 1 37 37 ASP CB C 37 41.927 41.927 41.039 0.888 25910 4589 1 15 . 1 1 37 37 ASP H H 37 8.854 8.854 8.542 0.312 25910 4590 1 15 . 1 1 38 38 ASN N N 38 117.154 117.154 116.106 1.048 25910 4591 1 15 . 1 1 38 38 ASN HA H 38 4.528 4.528 4.728 -0.200 25910 4592 1 15 . 1 1 38 38 ASN C C 38 173.809 173.809 175.390 -1.581 25910 4593 1 15 . 1 1 38 38 ASN CA C 38 53.604 53.604 52.451 1.153 25910 4594 1 15 . 1 1 38 38 ASN H H 38 7.302 7.302 7.892 -0.590 25910 4595 1 15 . 1 1 39 39 GLY N N 39 109.931 109.931 107.850 2.081 25910 4596 1 15 . 1 1 39 39 GLY C C 39 177.482 177.482 173.713 3.769 25910 4597 1 15 . 1 1 39 39 GLY CA C 39 46.647 46.647 45.695 0.952 25910 4598 1 15 . 1 1 39 39 GLY H H 39 7.716 7.716 7.606 0.110 25910 4599 1 15 . 1 1 40 40 VAL N N 40 122.793 122.793 118.692 4.101 25910 4600 1 15 . 1 1 40 40 VAL HA H 40 4.099 4.099 4.397 -0.298 25910 4601 1 15 . 1 1 40 40 VAL C C 40 173.752 173.752 173.851 -0.099 25910 4602 1 15 . 1 1 40 40 VAL CA C 40 61.738 61.738 60.905 0.833 25910 4603 1 15 . 1 1 40 40 VAL CB C 40 32.918 32.918 34.490 -1.572 25910 4604 1 15 . 1 1 40 40 VAL H H 40 8.027 8.027 7.896 0.131 25910 4605 1 15 . 1 1 41 41 ASP N N 41 129.935 129.935 121.246 8.689 25910 4606 1 15 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.947 -0.122 25910 4607 1 15 . 1 1 41 41 ASP C C 41 174.270 174.270 174.901 -0.631 25910 4608 1 15 . 1 1 41 41 ASP CA C 41 52.473 52.473 52.789 -0.316 25910 4609 1 15 . 1 1 41 41 ASP CB C 41 42.513 42.513 44.197 -1.684 25910 4610 1 15 . 1 1 41 41 ASP H H 41 8.588 8.588 8.334 0.254 25910 4611 1 15 . 1 1 42 42 GLY N N 42 109.126 109.126 107.022 2.104 25910 4612 1 15 . 1 1 42 42 GLY C C 42 171.778 171.778 172.804 -1.026 25910 4613 1 15 . 1 1 42 42 GLY CA C 42 45.243 45.243 45.479 -0.236 25910 4614 1 15 . 1 1 42 42 GLY H H 42 7.672 7.672 8.238 -0.566 25910 4615 1 15 . 1 1 43 43 GLU N N 43 122.448 122.448 122.162 0.286 25910 4616 1 15 . 1 1 43 43 GLU HA H 43 4.628 4.628 4.747 -0.119 25910 4617 1 15 . 1 1 43 43 GLU C C 43 176.874 176.874 176.513 0.361 25910 4618 1 15 . 1 1 43 43 GLU CA C 43 55.350 55.350 54.357 0.993 25910 4619 1 15 . 1 1 43 43 GLU CB C 43 31.207 31.207 30.983 0.224 25910 4620 1 15 . 1 1 43 43 GLU H H 43 8.089 8.089 8.574 -0.485 25910 4621 1 15 . 1 1 44 44 TRP N N 44 130.232 130.232 128.097 2.135 25910 4622 1 15 . 1 1 44 44 TRP HA H 44 5.313 5.313 5.075 0.238 25910 4623 1 15 . 1 1 44 44 TRP C C 44 176.867 176.867 176.753 0.114 25910 4624 1 15 . 1 1 44 44 TRP CA C 44 57.688 57.688 56.989 0.699 25910 4625 1 15 . 1 1 44 44 TRP CB C 44 30.268 30.268 28.760 1.508 25910 4626 1 15 . 1 1 44 44 TRP H H 44 9.284 9.284 9.010 0.274 25910 4627 1 15 . 1 1 45 45 THR N N 45 116.544 116.544 119.049 -2.505 25910 4628 1 15 . 1 1 45 45 THR HA H 45 4.626 4.626 4.823 -0.197 25910 4629 1 15 . 1 1 45 45 THR C C 45 172.518 172.518 173.267 -0.749 25910 4630 1 15 . 1 1 45 45 THR CA C 45 60.392 60.392 61.312 -0.920 25910 4631 1 15 . 1 1 45 45 THR CB C 45 72.517 72.517 71.595 0.922 25910 4632 1 15 . 1 1 45 45 THR H H 45 9.192 9.192 8.568 0.624 25910 4633 1 15 . 1 1 46 46 TYR N N 46 122.420 122.420 122.228 0.192 25910 4634 1 15 . 1 1 46 46 TYR HA H 46 4.375 4.375 5.082 -0.707 25910 4635 1 15 . 1 1 46 46 TYR C C 46 173.077 173.077 174.327 -1.250 25910 4636 1 15 . 1 1 46 46 TYR CA C 46 56.663 56.663 54.644 2.019 25910 4637 1 15 . 1 1 46 46 TYR CB C 46 38.701 38.701 39.657 -0.956 25910 4638 1 15 . 1 1 46 46 TYR H H 46 8.512 8.512 8.020 0.492 25910 4639 1 15 . 1 1 47 47 ASP N N 47 130.329 130.329 123.075 7.254 25910 4640 1 15 . 1 1 47 47 ASP HA H 47 4.520 4.520 4.849 -0.330 25910 4641 1 15 . 1 1 47 47 ASP C C 47 174.266 174.266 175.958 -1.692 25910 4642 1 15 . 1 1 47 47 ASP CA C 47 51.864 51.864 52.152 -0.288 25910 4643 1 15 . 1 1 47 47 ASP CB C 47 42.670 42.670 42.649 0.021 25910 4644 1 15 . 1 1 47 47 ASP H H 47 7.613 7.613 8.801 -1.188 25910 4645 1 15 . 1 1 48 48 ASP N N 48 126.699 126.699 126.781 -0.082 25910 4646 1 15 . 1 1 48 48 ASP HA H 48 4.019 4.019 4.461 -0.442 25910 4647 1 15 . 1 1 48 48 ASP C C 48 177.981 177.981 176.892 1.089 25910 4648 1 15 . 1 1 48 48 ASP CA C 48 56.198 56.198 56.242 -0.044 25910 4649 1 15 . 1 1 48 48 ASP CB C 48 41.614 41.614 41.078 0.536 25910 4650 1 15 . 1 1 48 48 ASP H H 48 8.422 8.422 8.709 -0.287 25910 4651 1 15 . 1 1 49 49 ALA N N 49 121.819 121.819 122.725 -0.906 25910 4652 1 15 . 1 1 49 49 ALA HA H 49 4.021 4.021 4.145 -0.124 25910 4653 1 15 . 1 1 49 49 ALA C C 49 179.522 179.522 179.567 -0.045 25910 4654 1 15 . 1 1 49 49 ALA CA C 49 54.829 54.829 54.443 0.386 25910 4655 1 15 . 1 1 49 49 ALA CB C 49 18.168 18.168 18.755 -0.587 25910 4656 1 15 . 1 1 49 49 ALA H H 49 8.202 8.202 8.204 -0.002 25910 4657 1 15 . 1 1 50 50 THR N N 50 105.089 105.089 111.680 -6.591 25910 4658 1 15 . 1 1 50 50 THR HA H 50 4.318 4.318 4.279 0.039 25910 4659 1 15 . 1 1 50 50 THR C C 50 174.943 174.943 174.435 0.508 25910 4660 1 15 . 1 1 50 50 THR CA C 50 60.343 60.343 63.564 -3.221 25910 4661 1 15 . 1 1 50 50 THR CB C 50 69.532 69.532 69.555 -0.023 25910 4662 1 15 . 1 1 50 50 THR H H 50 6.890 6.890 8.252 -1.361 25910 4663 1 15 . 1 1 51 51 LYS N N 51 125.512 125.512 116.788 8.724 25910 4664 1 15 . 1 1 51 51 LYS HA H 51 4.079 4.079 3.955 0.124 25910 4665 1 15 . 1 1 51 51 LYS C C 51 174.733 174.733 174.898 -0.165 25910 4666 1 15 . 1 1 51 51 LYS CA C 51 57.119 57.119 57.107 0.012 25910 4667 1 15 . 1 1 51 51 LYS CB C 51 33.975 33.975 29.689 4.286 25910 4668 1 15 . 1 1 51 51 LYS H H 51 7.764 7.764 8.099 -0.335 25910 4669 1 15 . 1 1 52 52 THR N N 52 112.742 112.742 109.912 2.830 25910 4670 1 15 . 1 1 52 52 THR HA H 52 5.437 5.437 5.417 0.020 25910 4671 1 15 . 1 1 52 52 THR C C 52 174.733 174.733 173.188 1.545 25910 4672 1 15 . 1 1 52 52 THR CA C 52 62.078 62.078 60.058 2.020 25910 4673 1 15 . 1 1 52 52 THR CB C 52 63.076 63.076 71.976 -8.900 25910 4674 1 15 . 1 1 52 52 THR H H 52 7.261 7.261 8.092 -0.831 25910 4675 1 15 . 1 1 53 53 PHE N N 53 132.937 132.937 123.391 9.546 25910 4676 1 15 . 1 1 53 53 PHE HA H 53 5.641 5.641 5.329 0.312 25910 4677 1 15 . 1 1 53 53 PHE C C 53 174.377 174.377 173.801 0.576 25910 4678 1 15 . 1 1 53 53 PHE CA C 53 56.995 56.995 56.362 0.633 25910 4679 1 15 . 1 1 53 53 PHE CB C 53 42.679 42.679 42.030 0.649 25910 4680 1 15 . 1 1 53 53 PHE H H 53 10.363 10.363 9.280 1.083 25910 4681 1 15 . 1 1 54 54 THR N N 54 119.069 119.069 123.549 -4.480 25910 4682 1 15 . 1 1 54 54 THR HA H 54 5.140 5.140 5.082 0.058 25910 4683 1 15 . 1 1 54 54 THR C C 54 172.417 172.417 173.210 -0.793 25910 4684 1 15 . 1 1 54 54 THR CA C 54 61.408 61.408 61.199 0.209 25910 4685 1 15 . 1 1 54 54 THR CB C 54 65.839 65.839 70.702 -4.863 25910 4686 1 15 . 1 1 54 54 THR H H 54 9.011 9.011 8.748 0.263 25910 4687 1 15 . 1 1 55 55 VAL N N 55 125.268 125.268 127.594 -2.326 25910 4688 1 15 . 1 1 55 55 VAL HA H 55 4.382 4.382 4.185 0.197 25910 4689 1 15 . 1 1 55 55 VAL CA C 55 57.834 57.834 60.564 -2.730 25910 4690 1 15 . 1 1 55 55 VAL CB C 55 32.223 32.223 30.106 2.117 25910 4691 1 15 . 1 1 55 55 VAL H H 55 8.122 8.122 8.657 -0.535 25910 4692 1 15 . 1 1 56 56 THR N N 56 125.548 125.548 124.440 1.108 25910 4693 1 15 . 1 1 56 56 THR C C 56 173.901 173.901 173.242 0.659 25910 4694 1 15 . 1 1 56 56 THR CA C 56 61.272 61.272 61.186 0.086 25910 4695 1 15 . 1 1 56 56 THR H H 56 8.306 8.306 7.980 0.326 25910 4696 1 16 . 1 1 2 2 GLY N N 2 113.750 113.750 108.941 4.809 25910 4697 1 16 . 1 1 2 2 GLY C C 2 176.605 176.605 172.999 3.606 25910 4698 1 16 . 1 1 2 2 GLY CA C 2 44.589 44.589 45.410 -0.821 25910 4699 1 16 . 1 1 2 2 GLY H H 2 8.454 8.454 8.590 -0.136 25910 4700 1 16 . 1 1 3 3 THR N N 3 118.182 118.182 116.499 1.683 25910 4701 1 16 . 1 1 3 3 THR HA H 3 4.594 4.594 4.684 -0.090 25910 4702 1 16 . 1 1 3 3 THR C C 3 173.943 173.943 173.648 0.295 25910 4703 1 16 . 1 1 3 3 THR CA C 3 62.633 62.633 62.125 0.508 25910 4704 1 16 . 1 1 3 3 THR CB C 3 72.413 72.413 70.327 2.086 25910 4705 1 16 . 1 1 3 3 THR H H 3 8.076 8.076 7.931 0.145 25910 4706 1 16 . 1 1 4 4 TYR N N 4 128.256 128.256 126.803 1.453 25910 4707 1 16 . 1 1 4 4 TYR HA H 4 5.271 5.271 4.768 0.503 25910 4708 1 16 . 1 1 4 4 TYR C C 4 174.213 174.213 176.024 -1.811 25910 4709 1 16 . 1 1 4 4 TYR CA C 4 56.625 56.625 57.342 -0.717 25910 4710 1 16 . 1 1 4 4 TYR CB C 4 42.657 42.657 40.151 2.506 25910 4711 1 16 . 1 1 4 4 TYR H H 4 9.273 9.273 8.953 0.320 25910 4712 1 16 . 1 1 5 5 LYS N N 5 124.678 124.678 123.493 1.185 25910 4713 1 16 . 1 1 5 5 LYS HA H 5 5.169 5.169 4.415 0.754 25910 4714 1 16 . 1 1 5 5 LYS C C 5 172.616 172.616 175.367 -2.751 25910 4715 1 16 . 1 1 5 5 LYS CA C 5 54.875 54.875 56.089 -1.214 25910 4716 1 16 . 1 1 5 5 LYS CB C 5 28.908 28.908 32.865 -3.957 25910 4717 1 16 . 1 1 5 5 LYS H H 5 9.075 9.075 8.752 0.323 25910 4718 1 16 . 1 1 6 6 LEU N N 6 128.375 128.375 128.696 -0.321 25910 4719 1 16 . 1 1 6 6 LEU HA H 6 4.839 4.839 4.685 0.154 25910 4720 1 16 . 1 1 6 6 LEU C C 6 174.425 174.425 174.880 -0.455 25910 4721 1 16 . 1 1 6 6 LEU CA C 6 52.459 52.459 53.775 -1.316 25910 4722 1 16 . 1 1 6 6 LEU H H 6 8.541 8.541 8.026 0.515 25910 4723 1 16 . 1 1 7 7 ILE N N 7 128.123 128.123 127.855 0.268 25910 4724 1 16 . 1 1 7 7 ILE HA H 7 4.221 4.221 4.661 -0.440 25910 4725 1 16 . 1 1 7 7 ILE C C 7 174.566 174.566 174.304 0.262 25910 4726 1 16 . 1 1 7 7 ILE CA C 7 60.226 60.226 59.944 0.282 25910 4727 1 16 . 1 1 7 7 ILE CB C 7 37.977 37.977 40.453 -2.475 25910 4728 1 16 . 1 1 7 7 ILE H H 7 9.020 9.020 9.192 -0.172 25910 4729 1 16 . 1 1 8 8 LEU N N 8 127.628 127.628 128.928 -1.300 25910 4730 1 16 . 1 1 8 8 LEU HA H 8 4.383 4.383 4.571 -0.188 25910 4731 1 16 . 1 1 8 8 LEU C C 8 174.640 174.640 175.067 -0.427 25910 4732 1 16 . 1 1 8 8 LEU CA C 8 54.428 54.428 54.082 0.346 25910 4733 1 16 . 1 1 8 8 LEU CB C 8 42.014 42.014 42.672 -0.658 25910 4734 1 16 . 1 1 8 8 LEU H H 8 8.640 8.640 9.070 -0.430 25910 4735 1 16 . 1 1 9 9 ASN N N 9 128.380 128.380 124.690 3.690 25910 4736 1 16 . 1 1 9 9 ASN HA H 9 5.214 5.214 5.007 0.207 25910 4737 1 16 . 1 1 9 9 ASN C C 9 175.683 175.683 174.181 1.502 25910 4738 1 16 . 1 1 9 9 ASN CA C 9 50.778 50.778 52.064 -1.286 25910 4739 1 16 . 1 1 9 9 ASN CB C 9 37.691 37.691 40.112 -2.421 25910 4740 1 16 . 1 1 9 9 ASN H H 9 8.830 8.830 7.984 0.846 25910 4741 1 16 . 1 1 10 10 GLY N N 10 111.563 111.563 109.222 2.341 25910 4742 1 16 . 1 1 10 10 GLY C C 10 173.311 173.311 174.762 -1.451 25910 4743 1 16 . 1 1 10 10 GLY CA C 10 44.735 44.735 43.617 1.118 25910 4744 1 16 . 1 1 10 10 GLY H H 10 7.831 7.831 7.751 0.080 25910 4745 1 16 . 1 1 11 11 LYS N N 11 122.942 122.942 120.230 2.712 25910 4746 1 16 . 1 1 11 11 LYS HA H 11 3.990 3.990 4.184 -0.194 25910 4747 1 16 . 1 1 11 11 LYS C C 11 178.822 178.822 176.442 2.380 25910 4748 1 16 . 1 1 11 11 LYS CA C 11 58.885 58.885 57.819 1.066 25910 4749 1 16 . 1 1 11 11 LYS CB C 11 32.330 32.330 32.245 0.085 25910 4750 1 16 . 1 1 11 11 LYS H H 11 9.419 9.419 8.816 0.603 25910 4751 1 16 . 1 1 12 12 THR N N 12 110.192 110.192 112.249 -2.057 25910 4752 1 16 . 1 1 12 12 THR HA H 12 4.312 4.312 4.327 -0.016 25910 4753 1 16 . 1 1 12 12 THR C C 12 173.575 173.575 173.381 0.194 25910 4754 1 16 . 1 1 12 12 THR CA C 12 61.517 61.517 62.459 -0.943 25910 4755 1 16 . 1 1 12 12 THR CB C 12 69.598 69.598 69.505 0.093 25910 4756 1 16 . 1 1 12 12 THR H H 12 8.743 8.743 8.090 0.653 25910 4757 1 16 . 1 1 13 13 LEU N N 13 127.300 127.300 119.308 7.992 25910 4758 1 16 . 1 1 13 13 LEU HA H 13 4.401 4.401 4.922 -0.521 25910 4759 1 16 . 1 1 13 13 LEU C C 13 173.148 173.148 174.416 -1.268 25910 4760 1 16 . 1 1 13 13 LEU CA C 13 54.953 54.953 53.166 1.787 25910 4761 1 16 . 1 1 13 13 LEU CB C 13 43.166 43.166 44.790 -1.624 25910 4762 1 16 . 1 1 13 13 LEU H H 13 7.273 7.273 7.574 -0.301 25910 4763 1 16 . 1 1 14 14 LYS N N 14 125.544 125.544 119.131 6.413 25910 4764 1 16 . 1 1 14 14 LYS HA H 14 5.097 5.097 4.916 0.181 25910 4765 1 16 . 1 1 14 14 LYS C C 14 176.255 176.255 175.193 1.062 25910 4766 1 16 . 1 1 14 14 LYS CA C 14 53.661 53.661 55.075 -1.414 25910 4767 1 16 . 1 1 14 14 LYS CB C 14 34.743 34.743 36.532 -1.789 25910 4768 1 16 . 1 1 14 14 LYS H H 14 8.062 8.062 8.307 -0.245 25910 4769 1 16 . 1 1 15 15 GLY N N 15 111.144 111.144 107.679 3.465 25910 4770 1 16 . 1 1 15 15 GLY C C 15 171.151 171.151 171.945 -0.794 25910 4771 1 16 . 1 1 15 15 GLY CA C 15 45.006 45.006 45.337 -0.331 25910 4772 1 16 . 1 1 15 15 GLY H H 15 8.349 8.349 8.142 0.207 25910 4773 1 16 . 1 1 16 16 GLU N N 16 120.581 120.581 121.342 -0.761 25910 4774 1 16 . 1 1 16 16 GLU HA H 16 5.546 5.546 5.476 0.070 25910 4775 1 16 . 1 1 16 16 GLU C C 16 175.034 175.034 174.849 0.185 25910 4776 1 16 . 1 1 16 16 GLU CA C 16 54.528 54.528 55.355 -0.827 25910 4777 1 16 . 1 1 16 16 GLU CB C 16 33.817 33.817 32.320 1.497 25910 4778 1 16 . 1 1 16 16 GLU H H 16 8.346 8.346 8.523 -0.177 25910 4779 1 16 . 1 1 17 17 THR N N 17 117.658 117.658 118.050 -0.392 25910 4780 1 16 . 1 1 17 17 THR HA H 17 4.622 4.622 4.819 -0.197 25910 4781 1 16 . 1 1 17 17 THR C C 17 171.834 171.834 172.666 -0.832 25910 4782 1 16 . 1 1 17 17 THR CA C 17 60.610 60.610 60.833 -0.223 25910 4783 1 16 . 1 1 17 17 THR CB C 17 69.030 69.030 70.737 -1.708 25910 4784 1 16 . 1 1 17 17 THR H H 17 8.636 8.636 8.398 0.238 25910 4785 1 16 . 1 1 18 18 THR N N 18 113.707 113.707 113.519 0.188 25910 4786 1 16 . 1 1 18 18 THR HA H 18 5.794 5.794 4.877 0.917 25910 4787 1 16 . 1 1 18 18 THR C C 18 173.871 173.871 173.875 -0.004 25910 4788 1 16 . 1 1 18 18 THR CA C 18 59.750 59.750 61.228 -1.478 25910 4789 1 16 . 1 1 18 18 THR CB C 18 73.077 73.077 71.198 1.879 25910 4790 1 16 . 1 1 18 18 THR H H 18 7.970 7.970 8.341 -0.371 25910 4791 1 16 . 1 1 19 19 THR N N 19 116.670 116.670 119.629 -2.959 25910 4792 1 16 . 1 1 19 19 THR HA H 19 4.606 4.606 4.790 -0.184 25910 4793 1 16 . 1 1 19 19 THR C C 19 171.009 171.009 173.271 -2.262 25910 4794 1 16 . 1 1 19 19 THR CA C 19 62.179 62.179 61.689 0.490 25910 4795 1 16 . 1 1 19 19 THR CB C 19 70.463 70.463 71.471 -1.008 25910 4796 1 16 . 1 1 19 19 THR H H 19 9.018 9.018 8.817 0.201 25910 4797 1 16 . 1 1 20 20 GLU N N 20 126.491 126.491 124.078 2.413 25910 4798 1 16 . 1 1 20 20 GLU HA H 20 5.528 5.528 4.884 0.644 25910 4799 1 16 . 1 1 20 20 GLU C C 20 176.205 176.205 175.427 0.778 25910 4800 1 16 . 1 1 20 20 GLU CA C 20 54.574 54.574 55.260 -0.686 25910 4801 1 16 . 1 1 20 20 GLU CB C 20 30.757 30.757 31.017 -0.260 25910 4802 1 16 . 1 1 20 20 GLU H H 20 7.922 7.922 8.423 -0.501 25910 4803 1 16 . 1 1 21 21 ALA N N 21 126.835 126.835 123.541 3.294 25910 4804 1 16 . 1 1 21 21 ALA HA H 21 4.740 4.740 4.597 0.143 25910 4805 1 16 . 1 1 21 21 ALA C C 21 177.223 177.223 175.918 1.305 25910 4806 1 16 . 1 1 21 21 ALA CA C 21 50.945 50.945 51.375 -0.430 25910 4807 1 16 . 1 1 21 21 ALA CB C 21 23.578 23.578 21.380 2.198 25910 4808 1 16 . 1 1 21 21 ALA H H 21 9.183 9.183 8.122 1.061 25910 4809 1 16 . 1 1 22 22 VAL N N 22 117.316 117.316 119.214 -1.898 25910 4810 1 16 . 1 1 22 22 VAL HA H 22 4.137 4.137 3.964 0.173 25910 4811 1 16 . 1 1 22 22 VAL C C 22 174.432 174.432 174.943 -0.511 25910 4812 1 16 . 1 1 22 22 VAL CA C 22 63.321 63.321 63.926 -0.605 25910 4813 1 16 . 1 1 22 22 VAL CB C 22 32.120 32.120 32.373 -0.253 25910 4814 1 16 . 1 1 22 22 VAL H H 22 8.519 8.519 8.483 0.036 25910 4815 1 16 . 1 1 23 23 ASP N N 23 116.395 116.395 115.065 1.330 25910 4816 1 16 . 1 1 23 23 ASP HA H 23 4.580 4.580 4.979 -0.399 25910 4817 1 16 . 1 1 23 23 ASP C C 23 174.391 174.391 175.677 -1.286 25910 4818 1 16 . 1 1 23 23 ASP CA C 23 52.345 52.345 53.532 -1.187 25910 4819 1 16 . 1 1 23 23 ASP CB C 23 42.149 42.149 42.784 -0.635 25910 4820 1 16 . 1 1 23 23 ASP H H 23 7.191 7.191 7.733 -0.542 25910 4821 1 16 . 1 1 24 24 ALA N N 24 123.019 123.019 123.439 -0.420 25910 4822 1 16 . 1 1 24 24 ALA HA H 24 3.349 3.349 3.606 -0.257 25910 4823 1 16 . 1 1 24 24 ALA C C 24 179.001 179.001 178.366 0.635 25910 4824 1 16 . 1 1 24 24 ALA CA C 24 54.346 54.346 55.260 -0.914 25910 4825 1 16 . 1 1 24 24 ALA CB C 24 17.327 17.327 18.159 -0.832 25910 4826 1 16 . 1 1 24 24 ALA H H 24 8.315 8.315 8.286 0.029 25910 4827 1 16 . 1 1 25 25 ALA N N 25 122.203 122.203 119.983 2.220 25910 4828 1 16 . 1 1 25 25 ALA HA H 25 3.891 3.891 4.075 -0.184 25910 4829 1 16 . 1 1 25 25 ALA C C 25 180.736 180.736 179.695 1.041 25910 4830 1 16 . 1 1 25 25 ALA CA C 25 54.646 54.646 54.994 -0.348 25910 4831 1 16 . 1 1 25 25 ALA CB C 25 17.623 17.623 17.855 -0.232 25910 4832 1 16 . 1 1 25 25 ALA H H 25 7.982 7.982 8.314 -0.332 25910 4833 1 16 . 1 1 26 26 THR N N 26 118.231 118.231 115.634 2.597 25910 4834 1 16 . 1 1 26 26 THR HA H 26 3.973 3.973 3.981 -0.008 25910 4835 1 16 . 1 1 26 26 THR C C 26 175.969 175.969 176.373 -0.404 25910 4836 1 16 . 1 1 26 26 THR CA C 26 66.690 66.690 66.208 0.482 25910 4837 1 16 . 1 1 26 26 THR CB C 26 66.977 66.977 68.653 -1.676 25910 4838 1 16 . 1 1 26 26 THR H H 26 8.258 8.258 7.492 0.766 25910 4839 1 16 . 1 1 27 27 ALA N N 27 125.522 125.522 124.262 1.260 25910 4840 1 16 . 1 1 27 27 ALA HA H 27 3.008 3.008 3.844 -0.836 25910 4841 1 16 . 1 1 27 27 ALA C C 27 176.928 176.928 178.865 -1.937 25910 4842 1 16 . 1 1 27 27 ALA CA C 27 54.544 54.544 55.636 -1.092 25910 4843 1 16 . 1 1 27 27 ALA CB C 27 17.299 17.299 18.076 -0.777 25910 4844 1 16 . 1 1 27 27 ALA H H 27 6.992 6.992 7.969 -0.977 25910 4845 1 16 . 1 1 28 28 GLU N N 28 118.584 118.584 118.500 0.084 25910 4846 1 16 . 1 1 28 28 GLU HA H 28 2.575 2.575 3.698 -1.123 25910 4847 1 16 . 1 1 28 28 GLU C C 28 177.127 177.127 179.035 -1.908 25910 4848 1 16 . 1 1 28 28 GLU CA C 28 59.522 59.522 59.616 -0.094 25910 4849 1 16 . 1 1 28 28 GLU CB C 28 32.612 32.612 29.612 3.000 25910 4850 1 16 . 1 1 28 28 GLU H H 28 8.284 8.284 8.500 -0.216 25910 4851 1 16 . 1 1 29 29 LYS N N 29 118.504 118.504 118.060 0.444 25910 4852 1 16 . 1 1 29 29 LYS HA H 29 3.654 3.654 3.995 -0.341 25910 4853 1 16 . 1 1 29 29 LYS C C 29 179.844 179.844 179.273 0.571 25910 4854 1 16 . 1 1 29 29 LYS CA C 29 59.589 59.589 58.727 0.862 25910 4855 1 16 . 1 1 29 29 LYS CB C 29 32.200 32.200 32.638 -0.438 25910 4856 1 16 . 1 1 29 29 LYS H H 29 6.861 6.861 7.553 -0.692 25910 4857 1 16 . 1 1 30 30 VAL N N 30 122.501 122.501 120.130 2.371 25910 4858 1 16 . 1 1 30 30 VAL HA H 30 3.550 3.550 3.628 -0.078 25910 4859 1 16 . 1 1 30 30 VAL C C 30 179.643 179.643 178.278 1.365 25910 4860 1 16 . 1 1 30 30 VAL CA C 30 65.870 65.870 66.147 -0.277 25910 4861 1 16 . 1 1 30 30 VAL CB C 30 31.729 31.729 31.872 -0.143 25910 4862 1 16 . 1 1 30 30 VAL H H 30 7.203 7.203 8.211 -1.008 25910 4863 1 16 . 1 1 31 31 PHE N N 31 122.601 122.601 117.783 4.818 25910 4864 1 16 . 1 1 31 31 PHE C C 31 178.161 178.161 177.178 0.983 25910 4865 1 16 . 1 1 31 31 PHE CA C 31 55.903 55.903 60.666 -4.763 25910 4866 1 16 . 1 1 31 31 PHE H H 31 8.398 8.398 8.709 -0.311 25910 4867 1 16 . 1 1 32 32 LYS N N 32 124.739 124.739 120.930 3.809 25910 4868 1 16 . 1 1 32 32 LYS HA H 32 4.085 4.085 3.525 0.560 25910 4869 1 16 . 1 1 32 32 LYS C C 32 179.432 179.432 178.440 0.992 25910 4870 1 16 . 1 1 32 32 LYS CA C 32 59.714 59.714 60.369 -0.655 25910 4871 1 16 . 1 1 32 32 LYS CB C 32 31.660 31.660 31.868 -0.208 25910 4872 1 16 . 1 1 32 32 LYS H H 32 9.078 9.078 7.670 1.407 25910 4873 1 16 . 1 1 33 33 GLN N N 33 121.561 121.561 117.374 4.187 25910 4874 1 16 . 1 1 33 33 GLN HA H 33 3.986 3.986 3.953 0.033 25910 4875 1 16 . 1 1 33 33 GLN C C 33 176.867 176.867 178.303 -1.436 25910 4876 1 16 . 1 1 33 33 GLN CA C 33 58.531 58.531 58.803 -0.272 25910 4877 1 16 . 1 1 33 33 GLN CB C 33 27.914 27.914 28.573 -0.659 25910 4878 1 16 . 1 1 33 33 GLN H H 33 7.325 7.325 7.630 -0.305 25910 4879 1 16 . 1 1 34 34 TYR N N 34 122.729 122.729 120.573 2.156 25910 4880 1 16 . 1 1 34 34 TYR HA H 34 4.206 4.206 4.054 0.152 25910 4881 1 16 . 1 1 34 34 TYR C C 34 178.875 178.875 177.247 1.628 25910 4882 1 16 . 1 1 34 34 TYR CA C 34 61.673 61.673 61.012 0.661 25910 4883 1 16 . 1 1 34 34 TYR CB C 34 38.779 38.779 38.137 0.642 25910 4884 1 16 . 1 1 34 34 TYR H H 34 8.165 8.165 8.096 0.069 25910 4885 1 16 . 1 1 35 35 ALA N N 35 124.565 124.565 120.710 3.855 25910 4886 1 16 . 1 1 35 35 ALA HA H 35 3.754 3.754 3.410 0.344 25910 4887 1 16 . 1 1 35 35 ALA C C 35 174.251 174.251 179.431 -5.180 25910 4888 1 16 . 1 1 35 35 ALA CA C 35 56.260 56.260 55.171 1.089 25910 4889 1 16 . 1 1 35 35 ALA CB C 35 17.622 17.622 18.067 -0.445 25910 4890 1 16 . 1 1 35 35 ALA H H 35 9.126 9.126 8.827 0.299 25910 4891 1 16 . 1 1 36 36 ASN N N 36 119.406 119.406 116.798 2.608 25910 4892 1 16 . 1 1 36 36 ASN HA H 36 4.370 4.370 4.596 -0.226 25910 4893 1 16 . 1 1 36 36 ASN C C 36 179.225 179.225 178.229 0.996 25910 4894 1 16 . 1 1 36 36 ASN CA C 36 56.845 56.845 55.704 1.141 25910 4895 1 16 . 1 1 36 36 ASN CB C 36 38.724 38.724 38.694 0.030 25910 4896 1 16 . 1 1 36 36 ASN H H 36 8.156 8.156 8.194 -0.038 25910 4897 1 16 . 1 1 37 37 ASP N N 37 123.289 123.289 120.393 2.896 25910 4898 1 16 . 1 1 37 37 ASP HA H 37 4.291 4.291 4.441 -0.150 25910 4899 1 16 . 1 1 37 37 ASP C C 37 176.917 176.917 177.994 -1.077 25910 4900 1 16 . 1 1 37 37 ASP CA C 37 56.791 56.791 56.528 0.263 25910 4901 1 16 . 1 1 37 37 ASP CB C 37 41.927 41.927 41.022 0.905 25910 4902 1 16 . 1 1 37 37 ASP H H 37 8.854 8.854 8.260 0.594 25910 4903 1 16 . 1 1 38 38 ASN N N 38 117.154 117.154 116.132 1.022 25910 4904 1 16 . 1 1 38 38 ASN HA H 38 4.528 4.528 4.613 -0.085 25910 4905 1 16 . 1 1 38 38 ASN C C 38 173.809 173.809 175.757 -1.948 25910 4906 1 16 . 1 1 38 38 ASN CA C 38 53.604 53.604 53.294 0.310 25910 4907 1 16 . 1 1 38 38 ASN H H 38 7.302 7.302 7.881 -0.579 25910 4908 1 16 . 1 1 39 39 GLY N N 39 109.931 109.931 107.450 2.481 25910 4909 1 16 . 1 1 39 39 GLY C C 39 177.482 177.482 173.763 3.719 25910 4910 1 16 . 1 1 39 39 GLY CA C 39 46.647 46.647 45.316 1.331 25910 4911 1 16 . 1 1 39 39 GLY H H 39 7.716 7.716 7.657 0.059 25910 4912 1 16 . 1 1 40 40 VAL N N 40 122.793 122.793 120.511 2.282 25910 4913 1 16 . 1 1 40 40 VAL HA H 40 4.099 4.099 4.281 -0.182 25910 4914 1 16 . 1 1 40 40 VAL C C 40 173.752 173.752 174.085 -0.333 25910 4915 1 16 . 1 1 40 40 VAL CA C 40 61.738 61.738 61.316 0.422 25910 4916 1 16 . 1 1 40 40 VAL CB C 40 32.918 32.918 33.455 -0.537 25910 4917 1 16 . 1 1 40 40 VAL H H 40 8.027 8.027 7.663 0.364 25910 4918 1 16 . 1 1 41 41 ASP N N 41 129.935 129.935 125.008 4.927 25910 4919 1 16 . 1 1 41 41 ASP HA H 41 4.825 4.825 5.077 -0.252 25910 4920 1 16 . 1 1 41 41 ASP C C 41 174.270 174.270 174.781 -0.511 25910 4921 1 16 . 1 1 41 41 ASP CA C 41 52.473 52.473 52.535 -0.062 25910 4922 1 16 . 1 1 41 41 ASP CB C 41 42.513 42.513 44.514 -2.001 25910 4923 1 16 . 1 1 41 41 ASP H H 41 8.588 8.588 8.352 0.236 25910 4924 1 16 . 1 1 42 42 GLY N N 42 109.126 109.126 107.401 1.725 25910 4925 1 16 . 1 1 42 42 GLY C C 42 171.778 171.778 172.550 -0.772 25910 4926 1 16 . 1 1 42 42 GLY CA C 42 45.243 45.243 45.349 -0.106 25910 4927 1 16 . 1 1 42 42 GLY H H 42 7.672 7.672 8.212 -0.540 25910 4928 1 16 . 1 1 43 43 GLU N N 43 122.448 122.448 121.462 0.986 25910 4929 1 16 . 1 1 43 43 GLU HA H 43 4.628 4.628 4.545 0.083 25910 4930 1 16 . 1 1 43 43 GLU C C 43 176.874 176.874 176.176 0.698 25910 4931 1 16 . 1 1 43 43 GLU CA C 43 55.350 55.350 55.823 -0.473 25910 4932 1 16 . 1 1 43 43 GLU CB C 43 31.207 31.207 30.905 0.302 25910 4933 1 16 . 1 1 43 43 GLU H H 43 8.089 8.089 8.179 -0.090 25910 4934 1 16 . 1 1 44 44 TRP N N 44 130.232 130.232 127.089 3.143 25910 4935 1 16 . 1 1 44 44 TRP HA H 44 5.313 5.313 5.039 0.274 25910 4936 1 16 . 1 1 44 44 TRP C C 44 176.867 176.867 175.830 1.037 25910 4937 1 16 . 1 1 44 44 TRP CA C 44 57.688 57.688 56.852 0.836 25910 4938 1 16 . 1 1 44 44 TRP CB C 44 30.268 30.268 29.724 0.544 25910 4939 1 16 . 1 1 44 44 TRP H H 44 9.284 9.284 8.857 0.427 25910 4940 1 16 . 1 1 45 45 THR N N 45 116.544 116.544 118.773 -2.229 25910 4941 1 16 . 1 1 45 45 THR HA H 45 4.626 4.626 4.526 0.100 25910 4942 1 16 . 1 1 45 45 THR C C 45 172.518 172.518 172.386 0.132 25910 4943 1 16 . 1 1 45 45 THR CA C 45 60.392 60.392 60.910 -0.518 25910 4944 1 16 . 1 1 45 45 THR CB C 45 72.517 72.517 71.636 0.881 25910 4945 1 16 . 1 1 45 45 THR H H 45 9.192 9.192 8.347 0.845 25910 4946 1 16 . 1 1 46 46 TYR N N 46 122.420 122.420 120.559 1.861 25910 4947 1 16 . 1 1 46 46 TYR HA H 46 4.375 4.375 4.661 -0.286 25910 4948 1 16 . 1 1 46 46 TYR C C 46 173.077 173.077 174.020 -0.943 25910 4949 1 16 . 1 1 46 46 TYR CA C 46 56.663 56.663 54.988 1.675 25910 4950 1 16 . 1 1 46 46 TYR CB C 46 38.701 38.701 40.488 -1.787 25910 4951 1 16 . 1 1 46 46 TYR H H 46 8.512 8.512 7.650 0.862 25910 4952 1 16 . 1 1 47 47 ASP N N 47 130.329 130.329 123.096 7.233 25910 4953 1 16 . 1 1 47 47 ASP HA H 47 4.520 4.520 4.778 -0.258 25910 4954 1 16 . 1 1 47 47 ASP C C 47 174.266 174.266 176.187 -1.921 25910 4955 1 16 . 1 1 47 47 ASP CA C 47 51.864 51.864 51.956 -0.092 25910 4956 1 16 . 1 1 47 47 ASP CB C 47 42.670 42.670 42.108 0.562 25910 4957 1 16 . 1 1 47 47 ASP H H 47 7.613 7.613 8.575 -0.962 25910 4958 1 16 . 1 1 48 48 ASP N N 48 126.699 126.699 126.803 -0.104 25910 4959 1 16 . 1 1 48 48 ASP HA H 48 4.019 4.019 4.625 -0.606 25910 4960 1 16 . 1 1 48 48 ASP C C 48 177.981 177.981 176.469 1.512 25910 4961 1 16 . 1 1 48 48 ASP CA C 48 56.198 56.198 56.473 -0.275 25910 4962 1 16 . 1 1 48 48 ASP CB C 48 41.614 41.614 40.549 1.065 25910 4963 1 16 . 1 1 48 48 ASP H H 48 8.422 8.422 8.977 -0.555 25910 4964 1 16 . 1 1 49 49 ALA N N 49 121.819 121.819 123.674 -1.855 25910 4965 1 16 . 1 1 49 49 ALA HA H 49 4.021 4.021 4.225 -0.204 25910 4966 1 16 . 1 1 49 49 ALA C C 49 179.522 179.522 179.524 -0.002 25910 4967 1 16 . 1 1 49 49 ALA CA C 49 54.829 54.829 54.397 0.432 25910 4968 1 16 . 1 1 49 49 ALA CB C 49 18.168 18.168 18.947 -0.779 25910 4969 1 16 . 1 1 49 49 ALA H H 49 8.202 8.202 8.209 -0.007 25910 4970 1 16 . 1 1 50 50 THR N N 50 105.089 105.089 111.466 -6.377 25910 4971 1 16 . 1 1 50 50 THR HA H 50 4.318 4.318 4.286 0.032 25910 4972 1 16 . 1 1 50 50 THR C C 50 174.943 174.943 174.381 0.562 25910 4973 1 16 . 1 1 50 50 THR CA C 50 60.343 60.343 63.455 -3.112 25910 4974 1 16 . 1 1 50 50 THR CB C 50 69.532 69.532 69.538 -0.006 25910 4975 1 16 . 1 1 50 50 THR H H 50 6.890 6.890 8.478 -1.588 25910 4976 1 16 . 1 1 51 51 LYS N N 51 125.512 125.512 116.820 8.692 25910 4977 1 16 . 1 1 51 51 LYS HA H 51 4.079 4.079 4.091 -0.012 25910 4978 1 16 . 1 1 51 51 LYS C C 51 174.733 174.733 175.089 -0.356 25910 4979 1 16 . 1 1 51 51 LYS CA C 51 57.119 57.119 57.167 -0.048 25910 4980 1 16 . 1 1 51 51 LYS CB C 51 33.975 33.975 29.663 4.312 25910 4981 1 16 . 1 1 51 51 LYS H H 51 7.764 7.764 7.887 -0.123 25910 4982 1 16 . 1 1 52 52 THR N N 52 112.742 112.742 109.826 2.916 25910 4983 1 16 . 1 1 52 52 THR HA H 52 5.437 5.437 5.337 0.100 25910 4984 1 16 . 1 1 52 52 THR C C 52 174.733 174.733 172.963 1.770 25910 4985 1 16 . 1 1 52 52 THR CA C 52 62.078 62.078 60.356 1.722 25910 4986 1 16 . 1 1 52 52 THR CB C 52 63.076 63.076 72.376 -9.300 25910 4987 1 16 . 1 1 52 52 THR H H 52 7.261 7.261 8.334 -1.073 25910 4988 1 16 . 1 1 53 53 PHE N N 53 132.937 132.937 122.966 9.971 25910 4989 1 16 . 1 1 53 53 PHE HA H 53 5.641 5.641 5.049 0.592 25910 4990 1 16 . 1 1 53 53 PHE C C 53 174.377 174.377 173.654 0.723 25910 4991 1 16 . 1 1 53 53 PHE CA C 53 56.995 56.995 56.956 0.038 25910 4992 1 16 . 1 1 53 53 PHE CB C 53 42.679 42.679 42.359 0.320 25910 4993 1 16 . 1 1 53 53 PHE H H 53 10.363 10.363 9.359 1.004 25910 4994 1 16 . 1 1 54 54 THR N N 54 119.069 119.069 123.586 -4.517 25910 4995 1 16 . 1 1 54 54 THR HA H 54 5.140 5.140 5.109 0.031 25910 4996 1 16 . 1 1 54 54 THR C C 54 172.417 172.417 174.176 -1.759 25910 4997 1 16 . 1 1 54 54 THR CA C 54 61.408 61.408 61.040 0.368 25910 4998 1 16 . 1 1 54 54 THR CB C 54 65.839 65.839 70.593 -4.753 25910 4999 1 16 . 1 1 54 54 THR H H 54 9.011 9.011 8.696 0.315 25910 5000 1 16 . 1 1 55 55 VAL N N 55 125.268 125.268 129.664 -4.396 25910 5001 1 16 . 1 1 55 55 VAL HA H 55 4.382 4.382 3.567 0.815 25910 5002 1 16 . 1 1 55 55 VAL CA C 55 57.834 57.834 61.464 -3.630 25910 5003 1 16 . 1 1 55 55 VAL CB C 55 32.223 32.223 29.746 2.477 25910 5004 1 16 . 1 1 55 55 VAL H H 55 8.122 8.122 8.741 -0.619 25910 5005 1 16 . 1 1 56 56 THR N N 56 125.548 125.548 123.400 2.148 25910 5006 1 16 . 1 1 56 56 THR C C 56 173.901 173.901 173.846 0.055 25910 5007 1 16 . 1 1 56 56 THR CA C 56 61.272 61.272 61.352 -0.080 25910 5008 1 16 . 1 1 56 56 THR H H 56 8.306 8.306 7.897 0.409 25910 5009 1 17 . 1 1 2 2 GLY N N 2 113.750 113.750 109.062 4.688 25910 5010 1 17 . 1 1 2 2 GLY C C 2 176.605 176.605 173.566 3.039 25910 5011 1 17 . 1 1 2 2 GLY CA C 2 44.589 44.589 44.604 -0.015 25910 5012 1 17 . 1 1 2 2 GLY H H 2 8.454 8.454 8.535 -0.081 25910 5013 1 17 . 1 1 3 3 THR N N 3 118.182 118.182 118.438 -0.256 25910 5014 1 17 . 1 1 3 3 THR HA H 3 4.594 4.594 4.654 -0.060 25910 5015 1 17 . 1 1 3 3 THR C C 3 173.943 173.943 173.846 0.097 25910 5016 1 17 . 1 1 3 3 THR CA C 3 62.633 62.633 62.546 0.087 25910 5017 1 17 . 1 1 3 3 THR CB C 3 72.413 72.413 69.341 3.072 25910 5018 1 17 . 1 1 3 3 THR H H 3 8.076 8.076 8.127 -0.051 25910 5019 1 17 . 1 1 4 4 TYR N N 4 128.256 128.256 127.388 0.868 25910 5020 1 17 . 1 1 4 4 TYR HA H 4 5.271 5.271 4.610 0.661 25910 5021 1 17 . 1 1 4 4 TYR C C 4 174.213 174.213 175.106 -0.893 25910 5022 1 17 . 1 1 4 4 TYR CA C 4 56.625 56.625 57.745 -1.120 25910 5023 1 17 . 1 1 4 4 TYR CB C 4 42.657 42.657 39.633 3.024 25910 5024 1 17 . 1 1 4 4 TYR H H 4 9.273 9.273 9.006 0.267 25910 5025 1 17 . 1 1 5 5 LYS N N 5 124.678 124.678 124.888 -0.210 25910 5026 1 17 . 1 1 5 5 LYS HA H 5 5.169 5.169 4.719 0.450 25910 5027 1 17 . 1 1 5 5 LYS C C 5 172.616 172.616 175.122 -2.506 25910 5028 1 17 . 1 1 5 5 LYS CA C 5 54.875 54.875 56.116 -1.241 25910 5029 1 17 . 1 1 5 5 LYS CB C 5 28.908 28.908 33.281 -4.373 25910 5030 1 17 . 1 1 5 5 LYS H H 5 9.075 9.075 8.505 0.570 25910 5031 1 17 . 1 1 6 6 LEU N N 6 128.375 128.375 128.072 0.303 25910 5032 1 17 . 1 1 6 6 LEU HA H 6 4.839 4.839 5.167 -0.328 25910 5033 1 17 . 1 1 6 6 LEU C C 6 174.425 174.425 175.085 -0.660 25910 5034 1 17 . 1 1 6 6 LEU CA C 6 52.459 52.459 53.128 -0.669 25910 5035 1 17 . 1 1 6 6 LEU H H 6 8.541 8.541 8.733 -0.192 25910 5036 1 17 . 1 1 7 7 ILE N N 7 128.123 128.123 127.875 0.248 25910 5037 1 17 . 1 1 7 7 ILE HA H 7 4.221 4.221 4.731 -0.510 25910 5038 1 17 . 1 1 7 7 ILE C C 7 174.566 174.566 174.221 0.345 25910 5039 1 17 . 1 1 7 7 ILE CA C 7 60.226 60.226 59.770 0.457 25910 5040 1 17 . 1 1 7 7 ILE CB C 7 37.977 37.977 40.814 -2.837 25910 5041 1 17 . 1 1 7 7 ILE H H 7 9.020 9.020 8.929 0.091 25910 5042 1 17 . 1 1 8 8 LEU N N 8 127.628 127.628 127.321 0.307 25910 5043 1 17 . 1 1 8 8 LEU HA H 8 4.383 4.383 4.436 -0.053 25910 5044 1 17 . 1 1 8 8 LEU C C 8 174.640 174.640 174.988 -0.348 25910 5045 1 17 . 1 1 8 8 LEU CA C 8 54.428 54.428 54.143 0.285 25910 5046 1 17 . 1 1 8 8 LEU CB C 8 42.014 42.014 44.188 -2.174 25910 5047 1 17 . 1 1 8 8 LEU H H 8 8.640 8.640 8.823 -0.183 25910 5048 1 17 . 1 1 9 9 ASN N N 9 128.380 128.380 125.282 3.098 25910 5049 1 17 . 1 1 9 9 ASN HA H 9 5.214 5.214 5.047 0.167 25910 5050 1 17 . 1 1 9 9 ASN C C 9 175.683 175.683 174.043 1.640 25910 5051 1 17 . 1 1 9 9 ASN CA C 9 50.778 50.778 52.324 -1.546 25910 5052 1 17 . 1 1 9 9 ASN CB C 9 37.691 37.691 40.600 -2.909 25910 5053 1 17 . 1 1 9 9 ASN H H 9 8.830 8.830 8.744 0.086 25910 5054 1 17 . 1 1 10 10 GLY N N 10 111.563 111.563 109.203 2.360 25910 5055 1 17 . 1 1 10 10 GLY C C 10 173.311 173.311 174.702 -1.391 25910 5056 1 17 . 1 1 10 10 GLY CA C 10 44.735 44.735 43.589 1.146 25910 5057 1 17 . 1 1 10 10 GLY H H 10 7.831 7.831 8.030 -0.199 25910 5058 1 17 . 1 1 11 11 LYS N N 11 122.942 122.942 121.287 1.655 25910 5059 1 17 . 1 1 11 11 LYS HA H 11 3.990 3.990 4.071 -0.081 25910 5060 1 17 . 1 1 11 11 LYS C C 11 178.822 178.822 176.858 1.964 25910 5061 1 17 . 1 1 11 11 LYS CA C 11 58.885 58.885 58.392 0.493 25910 5062 1 17 . 1 1 11 11 LYS CB C 11 32.330 32.330 31.941 0.389 25910 5063 1 17 . 1 1 11 11 LYS H H 11 9.419 9.419 8.811 0.608 25910 5064 1 17 . 1 1 12 12 THR N N 12 110.192 110.192 106.790 3.402 25910 5065 1 17 . 1 1 12 12 THR HA H 12 4.312 4.312 4.329 -0.017 25910 5066 1 17 . 1 1 12 12 THR C C 12 173.575 173.575 173.712 -0.137 25910 5067 1 17 . 1 1 12 12 THR CA C 12 61.517 61.517 62.103 -0.586 25910 5068 1 17 . 1 1 12 12 THR CB C 12 69.598 69.598 69.957 -0.359 25910 5069 1 17 . 1 1 12 12 THR H H 12 8.743 8.743 7.958 0.785 25910 5070 1 17 . 1 1 13 13 LEU N N 13 127.300 127.300 118.967 8.333 25910 5071 1 17 . 1 1 13 13 LEU HA H 13 4.401 4.401 4.868 -0.467 25910 5072 1 17 . 1 1 13 13 LEU C C 13 173.148 173.148 174.364 -1.216 25910 5073 1 17 . 1 1 13 13 LEU CA C 13 54.953 54.953 53.435 1.518 25910 5074 1 17 . 1 1 13 13 LEU CB C 13 43.166 43.166 45.072 -1.907 25910 5075 1 17 . 1 1 13 13 LEU H H 13 7.273 7.273 7.548 -0.275 25910 5076 1 17 . 1 1 14 14 LYS N N 14 125.544 125.544 119.689 5.855 25910 5077 1 17 . 1 1 14 14 LYS HA H 14 5.097 5.097 4.962 0.135 25910 5078 1 17 . 1 1 14 14 LYS C C 14 176.255 176.255 175.203 1.052 25910 5079 1 17 . 1 1 14 14 LYS CA C 14 53.661 53.661 54.864 -1.202 25910 5080 1 17 . 1 1 14 14 LYS CB C 14 34.743 34.743 36.515 -1.772 25910 5081 1 17 . 1 1 14 14 LYS H H 14 8.062 8.062 8.324 -0.262 25910 5082 1 17 . 1 1 15 15 GLY N N 15 111.144 111.144 107.581 3.563 25910 5083 1 17 . 1 1 15 15 GLY C C 15 171.151 171.151 172.023 -0.872 25910 5084 1 17 . 1 1 15 15 GLY CA C 15 45.006 45.006 44.989 0.017 25910 5085 1 17 . 1 1 15 15 GLY H H 15 8.349 8.349 8.196 0.153 25910 5086 1 17 . 1 1 16 16 GLU N N 16 120.581 120.581 121.724 -1.143 25910 5087 1 17 . 1 1 16 16 GLU HA H 16 5.546 5.546 5.336 0.210 25910 5088 1 17 . 1 1 16 16 GLU C C 16 175.034 175.034 174.891 0.143 25910 5089 1 17 . 1 1 16 16 GLU CA C 16 54.528 54.528 55.108 -0.580 25910 5090 1 17 . 1 1 16 16 GLU CB C 16 33.817 33.817 32.141 1.676 25910 5091 1 17 . 1 1 16 16 GLU H H 16 8.346 8.346 8.443 -0.097 25910 5092 1 17 . 1 1 17 17 THR N N 17 117.658 117.658 117.245 0.413 25910 5093 1 17 . 1 1 17 17 THR HA H 17 4.622 4.622 4.826 -0.204 25910 5094 1 17 . 1 1 17 17 THR C C 17 171.834 171.834 172.660 -0.826 25910 5095 1 17 . 1 1 17 17 THR CA C 17 60.610 60.610 59.957 0.653 25910 5096 1 17 . 1 1 17 17 THR CB C 17 69.030 69.030 70.972 -1.942 25910 5097 1 17 . 1 1 17 17 THR H H 17 8.636 8.636 8.822 -0.186 25910 5098 1 17 . 1 1 18 18 THR N N 18 113.707 113.707 114.276 -0.569 25910 5099 1 17 . 1 1 18 18 THR HA H 18 5.794 5.794 5.417 0.377 25910 5100 1 17 . 1 1 18 18 THR C C 18 173.871 173.871 173.843 0.028 25910 5101 1 17 . 1 1 18 18 THR CA C 18 59.750 59.750 61.299 -1.549 25910 5102 1 17 . 1 1 18 18 THR CB C 18 73.077 73.077 71.611 1.466 25910 5103 1 17 . 1 1 18 18 THR H H 18 7.970 7.970 8.545 -0.575 25910 5104 1 17 . 1 1 19 19 THR N N 19 116.670 116.670 119.492 -2.822 25910 5105 1 17 . 1 1 19 19 THR HA H 19 4.606 4.606 4.764 -0.158 25910 5106 1 17 . 1 1 19 19 THR C C 19 171.009 171.009 172.968 -1.959 25910 5107 1 17 . 1 1 19 19 THR CA C 19 62.179 62.179 61.659 0.520 25910 5108 1 17 . 1 1 19 19 THR CB C 19 70.463 70.463 70.924 -0.461 25910 5109 1 17 . 1 1 19 19 THR H H 19 9.018 9.018 8.463 0.555 25910 5110 1 17 . 1 1 20 20 GLU N N 20 126.491 126.491 124.653 1.838 25910 5111 1 17 . 1 1 20 20 GLU HA H 20 5.528 5.528 5.364 0.164 25910 5112 1 17 . 1 1 20 20 GLU C C 20 176.205 176.205 174.920 1.285 25910 5113 1 17 . 1 1 20 20 GLU CA C 20 54.574 54.574 54.962 -0.388 25910 5114 1 17 . 1 1 20 20 GLU CB C 20 30.757 30.757 31.126 -0.369 25910 5115 1 17 . 1 1 20 20 GLU H H 20 7.922 7.922 8.552 -0.630 25910 5116 1 17 . 1 1 21 21 ALA N N 21 126.835 126.835 125.366 1.469 25910 5117 1 17 . 1 1 21 21 ALA HA H 21 4.740 4.740 4.703 0.037 25910 5118 1 17 . 1 1 21 21 ALA C C 21 177.223 177.223 175.584 1.639 25910 5119 1 17 . 1 1 21 21 ALA CA C 21 50.945 50.945 51.160 -0.215 25910 5120 1 17 . 1 1 21 21 ALA CB C 21 23.578 23.578 22.402 1.176 25910 5121 1 17 . 1 1 21 21 ALA H H 21 9.183 9.183 8.495 0.688 25910 5122 1 17 . 1 1 22 22 VAL N N 22 117.316 117.316 119.399 -2.083 25910 5123 1 17 . 1 1 22 22 VAL HA H 22 4.137 4.137 3.941 0.196 25910 5124 1 17 . 1 1 22 22 VAL C C 22 174.432 174.432 175.219 -0.787 25910 5125 1 17 . 1 1 22 22 VAL CA C 22 63.321 63.321 64.015 -0.694 25910 5126 1 17 . 1 1 22 22 VAL CB C 22 32.120 32.120 32.316 -0.196 25910 5127 1 17 . 1 1 22 22 VAL H H 22 8.519 8.519 8.752 -0.233 25910 5128 1 17 . 1 1 23 23 ASP N N 23 116.395 116.395 115.391 1.004 25910 5129 1 17 . 1 1 23 23 ASP HA H 23 4.580 4.580 4.878 -0.297 25910 5130 1 17 . 1 1 23 23 ASP C C 23 174.391 174.391 175.912 -1.521 25910 5131 1 17 . 1 1 23 23 ASP CA C 23 52.345 52.345 53.206 -0.861 25910 5132 1 17 . 1 1 23 23 ASP CB C 23 42.149 42.149 43.022 -0.873 25910 5133 1 17 . 1 1 23 23 ASP H H 23 7.191 7.191 7.585 -0.394 25910 5134 1 17 . 1 1 24 24 ALA N N 24 123.019 123.019 123.140 -0.121 25910 5135 1 17 . 1 1 24 24 ALA HA H 24 3.349 3.349 3.327 0.022 25910 5136 1 17 . 1 1 24 24 ALA C C 24 179.001 179.001 178.092 0.909 25910 5137 1 17 . 1 1 24 24 ALA CA C 24 54.346 54.346 54.479 -0.133 25910 5138 1 17 . 1 1 24 24 ALA CB C 24 17.327 17.327 18.302 -0.975 25910 5139 1 17 . 1 1 24 24 ALA H H 24 8.315 8.315 8.490 -0.175 25910 5140 1 17 . 1 1 25 25 ALA N N 25 122.203 122.203 121.064 1.139 25910 5141 1 17 . 1 1 25 25 ALA HA H 25 3.891 3.891 4.162 -0.271 25910 5142 1 17 . 1 1 25 25 ALA C C 25 180.736 180.736 179.555 1.181 25910 5143 1 17 . 1 1 25 25 ALA CA C 25 54.646 54.646 54.809 -0.163 25910 5144 1 17 . 1 1 25 25 ALA CB C 25 17.623 17.623 17.975 -0.352 25910 5145 1 17 . 1 1 25 25 ALA H H 25 7.982 7.982 8.290 -0.308 25910 5146 1 17 . 1 1 26 26 THR N N 26 118.231 118.231 114.984 3.247 25910 5147 1 17 . 1 1 26 26 THR HA H 26 3.973 3.973 3.931 0.042 25910 5148 1 17 . 1 1 26 26 THR C C 26 175.969 175.969 176.296 -0.327 25910 5149 1 17 . 1 1 26 26 THR CA C 26 66.690 66.690 66.258 0.432 25910 5150 1 17 . 1 1 26 26 THR CB C 26 66.977 66.977 68.734 -1.757 25910 5151 1 17 . 1 1 26 26 THR H H 26 8.258 8.258 7.487 0.771 25910 5152 1 17 . 1 1 27 27 ALA N N 27 125.522 125.522 123.974 1.548 25910 5153 1 17 . 1 1 27 27 ALA HA H 27 3.008 3.008 4.027 -1.019 25910 5154 1 17 . 1 1 27 27 ALA C C 27 176.928 176.928 179.224 -2.296 25910 5155 1 17 . 1 1 27 27 ALA CA C 27 54.544 54.544 55.348 -0.804 25910 5156 1 17 . 1 1 27 27 ALA CB C 27 17.299 17.299 18.000 -0.701 25910 5157 1 17 . 1 1 27 27 ALA H H 27 6.992 6.992 7.606 -0.614 25910 5158 1 17 . 1 1 28 28 GLU N N 28 118.584 118.584 118.612 -0.028 25910 5159 1 17 . 1 1 28 28 GLU HA H 28 2.575 2.575 3.718 -1.143 25910 5160 1 17 . 1 1 28 28 GLU C C 28 177.127 177.127 178.835 -1.708 25910 5161 1 17 . 1 1 28 28 GLU CA C 28 59.522 59.522 59.649 -0.127 25910 5162 1 17 . 1 1 28 28 GLU CB C 28 32.612 32.612 29.594 3.018 25910 5163 1 17 . 1 1 28 28 GLU H H 28 8.284 8.284 8.711 -0.427 25910 5164 1 17 . 1 1 29 29 LYS N N 29 118.504 118.504 118.007 0.497 25910 5165 1 17 . 1 1 29 29 LYS HA H 29 3.654 3.654 3.947 -0.293 25910 5166 1 17 . 1 1 29 29 LYS C C 29 179.844 179.844 179.338 0.506 25910 5167 1 17 . 1 1 29 29 LYS CA C 29 59.589 59.589 58.599 0.990 25910 5168 1 17 . 1 1 29 29 LYS CB C 29 32.200 32.200 32.665 -0.465 25910 5169 1 17 . 1 1 29 29 LYS H H 29 6.861 6.861 7.414 -0.553 25910 5170 1 17 . 1 1 30 30 VAL N N 30 122.501 122.501 120.240 2.261 25910 5171 1 17 . 1 1 30 30 VAL HA H 30 3.550 3.550 3.649 -0.099 25910 5172 1 17 . 1 1 30 30 VAL C C 30 179.643 179.643 178.416 1.227 25910 5173 1 17 . 1 1 30 30 VAL CA C 30 65.870 65.870 66.143 -0.273 25910 5174 1 17 . 1 1 30 30 VAL CB C 30 31.729 31.729 31.903 -0.174 25910 5175 1 17 . 1 1 30 30 VAL H H 30 7.203 7.203 8.248 -1.045 25910 5176 1 17 . 1 1 31 31 PHE N N 31 122.601 122.601 117.337 5.264 25910 5177 1 17 . 1 1 31 31 PHE C C 31 178.161 178.161 177.481 0.680 25910 5178 1 17 . 1 1 31 31 PHE CA C 31 55.903 55.903 59.241 -3.338 25910 5179 1 17 . 1 1 31 31 PHE H H 31 8.398 8.398 8.173 0.225 25910 5180 1 17 . 1 1 32 32 LYS N N 32 124.739 124.739 120.818 3.921 25910 5181 1 17 . 1 1 32 32 LYS HA H 32 4.085 4.085 3.984 0.101 25910 5182 1 17 . 1 1 32 32 LYS C C 32 179.432 179.432 178.546 0.886 25910 5183 1 17 . 1 1 32 32 LYS CA C 32 59.714 59.714 60.660 -0.946 25910 5184 1 17 . 1 1 32 32 LYS CB C 32 31.660 31.660 32.111 -0.451 25910 5185 1 17 . 1 1 32 32 LYS H H 32 9.078 9.078 7.853 1.225 25910 5186 1 17 . 1 1 33 33 GLN N N 33 121.561 121.561 117.629 3.932 25910 5187 1 17 . 1 1 33 33 GLN HA H 33 3.986 3.986 4.002 -0.016 25910 5188 1 17 . 1 1 33 33 GLN C C 33 176.867 176.867 178.332 -1.465 25910 5189 1 17 . 1 1 33 33 GLN CA C 33 58.531 58.531 59.012 -0.481 25910 5190 1 17 . 1 1 33 33 GLN CB C 33 27.914 27.914 28.622 -0.708 25910 5191 1 17 . 1 1 33 33 GLN H H 33 7.325 7.325 7.930 -0.605 25910 5192 1 17 . 1 1 34 34 TYR N N 34 122.729 122.729 120.214 2.515 25910 5193 1 17 . 1 1 34 34 TYR HA H 34 4.206 4.206 4.103 0.103 25910 5194 1 17 . 1 1 34 34 TYR C C 34 178.875 178.875 177.186 1.689 25910 5195 1 17 . 1 1 34 34 TYR CA C 34 61.673 61.673 60.825 0.848 25910 5196 1 17 . 1 1 34 34 TYR CB C 34 38.779 38.779 38.066 0.714 25910 5197 1 17 . 1 1 34 34 TYR H H 34 8.165 8.165 8.302 -0.137 25910 5198 1 17 . 1 1 35 35 ALA N N 35 124.565 124.565 121.030 3.535 25910 5199 1 17 . 1 1 35 35 ALA HA H 35 3.754 3.754 3.222 0.532 25910 5200 1 17 . 1 1 35 35 ALA C C 35 174.251 174.251 179.522 -5.271 25910 5201 1 17 . 1 1 35 35 ALA CA C 35 56.260 56.260 55.025 1.235 25910 5202 1 17 . 1 1 35 35 ALA CB C 35 17.622 17.622 17.979 -0.357 25910 5203 1 17 . 1 1 35 35 ALA H H 35 9.126 9.126 8.543 0.583 25910 5204 1 17 . 1 1 36 36 ASN N N 36 119.406 119.406 115.991 3.415 25910 5205 1 17 . 1 1 36 36 ASN HA H 36 4.370 4.370 4.564 -0.194 25910 5206 1 17 . 1 1 36 36 ASN C C 36 179.225 179.225 177.109 2.116 25910 5207 1 17 . 1 1 36 36 ASN CA C 36 56.845 56.845 55.356 1.489 25910 5208 1 17 . 1 1 36 36 ASN CB C 36 38.724 38.724 38.861 -0.137 25910 5209 1 17 . 1 1 36 36 ASN H H 36 8.156 8.156 7.991 0.165 25910 5210 1 17 . 1 1 37 37 ASP N N 37 123.289 123.289 119.112 4.177 25910 5211 1 17 . 1 1 37 37 ASP HA H 37 4.291 4.291 4.427 -0.136 25910 5212 1 17 . 1 1 37 37 ASP C C 37 176.917 176.917 178.090 -1.173 25910 5213 1 17 . 1 1 37 37 ASP CA C 37 56.791 56.791 56.344 0.447 25910 5214 1 17 . 1 1 37 37 ASP CB C 37 41.927 41.927 41.157 0.770 25910 5215 1 17 . 1 1 37 37 ASP H H 37 8.854 8.854 8.312 0.542 25910 5216 1 17 . 1 1 38 38 ASN N N 38 117.154 117.154 116.161 0.993 25910 5217 1 17 . 1 1 38 38 ASN HA H 38 4.528 4.528 4.740 -0.212 25910 5218 1 17 . 1 1 38 38 ASN C C 38 173.809 173.809 175.422 -1.613 25910 5219 1 17 . 1 1 38 38 ASN CA C 38 53.604 53.604 52.711 0.893 25910 5220 1 17 . 1 1 38 38 ASN H H 38 7.302 7.302 7.889 -0.587 25910 5221 1 17 . 1 1 39 39 GLY N N 39 109.931 109.931 106.638 3.293 25910 5222 1 17 . 1 1 39 39 GLY C C 39 177.482 177.482 172.966 4.516 25910 5223 1 17 . 1 1 39 39 GLY CA C 39 46.647 46.647 45.035 1.612 25910 5224 1 17 . 1 1 39 39 GLY H H 39 7.716 7.716 7.381 0.335 25910 5225 1 17 . 1 1 40 40 VAL N N 40 122.793 122.793 119.254 3.539 25910 5226 1 17 . 1 1 40 40 VAL HA H 40 4.099 4.099 4.362 -0.263 25910 5227 1 17 . 1 1 40 40 VAL C C 40 173.752 173.752 174.059 -0.307 25910 5228 1 17 . 1 1 40 40 VAL CA C 40 61.738 61.738 61.179 0.559 25910 5229 1 17 . 1 1 40 40 VAL CB C 40 32.918 32.918 33.810 -0.892 25910 5230 1 17 . 1 1 40 40 VAL H H 40 8.027 8.027 7.716 0.311 25910 5231 1 17 . 1 1 41 41 ASP N N 41 129.935 129.935 127.679 2.256 25910 5232 1 17 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.896 -0.071 25910 5233 1 17 . 1 1 41 41 ASP C C 41 174.270 174.270 175.024 -0.754 25910 5234 1 17 . 1 1 41 41 ASP CA C 41 52.473 52.473 53.289 -0.816 25910 5235 1 17 . 1 1 41 41 ASP CB C 41 42.513 42.513 43.982 -1.469 25910 5236 1 17 . 1 1 41 41 ASP H H 41 8.588 8.588 8.364 0.224 25910 5237 1 17 . 1 1 42 42 GLY N N 42 109.126 109.126 110.648 -1.522 25910 5238 1 17 . 1 1 42 42 GLY C C 42 171.778 171.778 172.983 -1.205 25910 5239 1 17 . 1 1 42 42 GLY CA C 42 45.243 45.243 45.145 0.098 25910 5240 1 17 . 1 1 42 42 GLY H H 42 7.672 7.672 8.055 -0.383 25910 5241 1 17 . 1 1 43 43 GLU N N 43 122.448 122.448 122.004 0.444 25910 5242 1 17 . 1 1 43 43 GLU HA H 43 4.628 4.628 4.553 0.075 25910 5243 1 17 . 1 1 43 43 GLU C C 43 176.874 176.874 176.515 0.359 25910 5244 1 17 . 1 1 43 43 GLU CA C 43 55.350 55.350 55.050 0.300 25910 5245 1 17 . 1 1 43 43 GLU CB C 43 31.207 31.207 30.517 0.690 25910 5246 1 17 . 1 1 43 43 GLU H H 43 8.089 8.089 8.318 -0.229 25910 5247 1 17 . 1 1 44 44 TRP N N 44 130.232 130.232 128.355 1.877 25910 5248 1 17 . 1 1 44 44 TRP HA H 44 5.313 5.313 5.105 0.208 25910 5249 1 17 . 1 1 44 44 TRP C C 44 176.867 176.867 176.598 0.269 25910 5250 1 17 . 1 1 44 44 TRP CA C 44 57.688 57.688 56.543 1.145 25910 5251 1 17 . 1 1 44 44 TRP CB C 44 30.268 30.268 28.938 1.330 25910 5252 1 17 . 1 1 44 44 TRP H H 44 9.284 9.284 8.929 0.355 25910 5253 1 17 . 1 1 45 45 THR N N 45 116.544 116.544 121.823 -5.279 25910 5254 1 17 . 1 1 45 45 THR HA H 45 4.626 4.626 4.741 -0.115 25910 5255 1 17 . 1 1 45 45 THR C C 45 172.518 172.518 173.141 -0.623 25910 5256 1 17 . 1 1 45 45 THR CA C 45 60.392 60.392 61.586 -1.194 25910 5257 1 17 . 1 1 45 45 THR CB C 45 72.517 72.517 70.196 2.321 25910 5258 1 17 . 1 1 45 45 THR H H 45 9.192 9.192 8.842 0.350 25910 5259 1 17 . 1 1 46 46 TYR N N 46 122.420 122.420 123.903 -1.483 25910 5260 1 17 . 1 1 46 46 TYR HA H 46 4.375 4.375 5.097 -0.722 25910 5261 1 17 . 1 1 46 46 TYR C C 46 173.077 173.077 174.657 -1.580 25910 5262 1 17 . 1 1 46 46 TYR CA C 46 56.663 56.663 54.885 1.778 25910 5263 1 17 . 1 1 46 46 TYR CB C 46 38.701 38.701 39.410 -0.709 25910 5264 1 17 . 1 1 46 46 TYR H H 46 8.512 8.512 8.128 0.384 25910 5265 1 17 . 1 1 47 47 ASP N N 47 130.329 130.329 122.550 7.779 25910 5266 1 17 . 1 1 47 47 ASP HA H 47 4.520 4.520 4.861 -0.341 25910 5267 1 17 . 1 1 47 47 ASP C C 47 174.266 174.266 175.088 -0.822 25910 5268 1 17 . 1 1 47 47 ASP CA C 47 51.864 51.864 53.031 -1.167 25910 5269 1 17 . 1 1 47 47 ASP CB C 47 42.670 42.670 43.077 -0.407 25910 5270 1 17 . 1 1 47 47 ASP H H 47 7.613 7.613 8.804 -1.191 25910 5271 1 17 . 1 1 48 48 ASP N N 48 126.699 126.699 125.250 1.449 25910 5272 1 17 . 1 1 48 48 ASP HA H 48 4.019 4.019 4.511 -0.492 25910 5273 1 17 . 1 1 48 48 ASP C C 48 177.981 177.981 176.602 1.379 25910 5274 1 17 . 1 1 48 48 ASP CA C 48 56.198 56.198 56.057 0.141 25910 5275 1 17 . 1 1 48 48 ASP CB C 48 41.614 41.614 40.927 0.687 25910 5276 1 17 . 1 1 48 48 ASP H H 48 8.422 8.422 8.692 -0.270 25910 5277 1 17 . 1 1 49 49 ALA N N 49 121.819 121.819 121.877 -0.058 25910 5278 1 17 . 1 1 49 49 ALA HA H 49 4.021 4.021 4.224 -0.203 25910 5279 1 17 . 1 1 49 49 ALA C C 49 179.522 179.522 179.250 0.272 25910 5280 1 17 . 1 1 49 49 ALA CA C 49 54.829 54.829 54.338 0.491 25910 5281 1 17 . 1 1 49 49 ALA CB C 49 18.168 18.168 18.773 -0.605 25910 5282 1 17 . 1 1 49 49 ALA H H 49 8.202 8.202 7.749 0.453 25910 5283 1 17 . 1 1 50 50 THR N N 50 105.089 105.089 112.525 -7.436 25910 5284 1 17 . 1 1 50 50 THR HA H 50 4.318 4.318 4.271 0.047 25910 5285 1 17 . 1 1 50 50 THR C C 50 174.943 174.943 174.542 0.401 25910 5286 1 17 . 1 1 50 50 THR CA C 50 60.343 60.343 63.463 -3.120 25910 5287 1 17 . 1 1 50 50 THR CB C 50 69.532 69.532 69.263 0.270 25910 5288 1 17 . 1 1 50 50 THR H H 50 6.890 6.890 8.650 -1.760 25910 5289 1 17 . 1 1 51 51 LYS N N 51 125.512 125.512 119.665 5.847 25910 5290 1 17 . 1 1 51 51 LYS HA H 51 4.079 4.079 4.009 0.070 25910 5291 1 17 . 1 1 51 51 LYS C C 51 174.733 174.733 174.886 -0.153 25910 5292 1 17 . 1 1 51 51 LYS CA C 51 57.119 57.119 57.264 -0.145 25910 5293 1 17 . 1 1 51 51 LYS CB C 51 33.975 33.975 30.787 3.188 25910 5294 1 17 . 1 1 51 51 LYS H H 51 7.764 7.764 7.819 -0.055 25910 5295 1 17 . 1 1 52 52 THR N N 52 112.742 112.742 109.730 3.012 25910 5296 1 17 . 1 1 52 52 THR HA H 52 5.437 5.437 5.197 0.240 25910 5297 1 17 . 1 1 52 52 THR C C 52 174.733 174.733 172.645 2.088 25910 5298 1 17 . 1 1 52 52 THR CA C 52 62.078 62.078 60.365 1.713 25910 5299 1 17 . 1 1 52 52 THR CB C 52 63.076 63.076 72.406 -9.330 25910 5300 1 17 . 1 1 52 52 THR H H 52 7.261 7.261 8.072 -0.811 25910 5301 1 17 . 1 1 53 53 PHE N N 53 132.937 132.937 123.483 9.454 25910 5302 1 17 . 1 1 53 53 PHE HA H 53 5.641 5.641 5.436 0.205 25910 5303 1 17 . 1 1 53 53 PHE C C 53 174.377 174.377 173.603 0.774 25910 5304 1 17 . 1 1 53 53 PHE CA C 53 56.995 56.995 55.869 1.126 25910 5305 1 17 . 1 1 53 53 PHE CB C 53 42.679 42.679 41.823 0.856 25910 5306 1 17 . 1 1 53 53 PHE H H 53 10.363 10.363 9.152 1.211 25910 5307 1 17 . 1 1 54 54 THR N N 54 119.069 119.069 124.067 -4.998 25910 5308 1 17 . 1 1 54 54 THR HA H 54 5.140 5.140 5.101 0.039 25910 5309 1 17 . 1 1 54 54 THR C C 54 172.417 172.417 173.258 -0.841 25910 5310 1 17 . 1 1 54 54 THR CA C 54 61.408 61.408 60.909 0.499 25910 5311 1 17 . 1 1 54 54 THR CB C 54 65.839 65.839 71.419 -5.580 25910 5312 1 17 . 1 1 54 54 THR H H 54 9.011 9.011 8.765 0.246 25910 5313 1 17 . 1 1 55 55 VAL N N 55 125.268 125.268 127.674 -2.406 25910 5314 1 17 . 1 1 55 55 VAL HA H 55 4.382 4.382 4.101 0.281 25910 5315 1 17 . 1 1 55 55 VAL CA C 55 57.834 57.834 60.845 -3.011 25910 5316 1 17 . 1 1 55 55 VAL CB C 55 32.223 32.223 29.895 2.328 25910 5317 1 17 . 1 1 55 55 VAL H H 55 8.122 8.122 8.637 -0.515 25910 5318 1 17 . 1 1 56 56 THR N N 56 125.548 125.548 124.636 0.912 25910 5319 1 17 . 1 1 56 56 THR C C 56 173.901 173.901 173.260 0.641 25910 5320 1 17 . 1 1 56 56 THR CA C 56 61.272 61.272 61.679 -0.408 25910 5321 1 17 . 1 1 56 56 THR H H 56 8.306 8.306 8.717 -0.411 25910 5322 1 18 . 1 1 2 2 GLY N N 2 113.750 113.750 109.604 4.146 25910 5323 1 18 . 1 1 2 2 GLY C C 2 176.605 176.605 173.708 2.897 25910 5324 1 18 . 1 1 2 2 GLY CA C 2 44.589 44.589 45.502 -0.913 25910 5325 1 18 . 1 1 2 2 GLY H H 2 8.454 8.454 8.755 -0.301 25910 5326 1 18 . 1 1 3 3 THR N N 3 118.182 118.182 121.791 -3.609 25910 5327 1 18 . 1 1 3 3 THR HA H 3 4.594 4.594 4.636 -0.042 25910 5328 1 18 . 1 1 3 3 THR C C 3 173.943 173.943 173.826 0.117 25910 5329 1 18 . 1 1 3 3 THR CA C 3 62.633 62.633 62.573 0.060 25910 5330 1 18 . 1 1 3 3 THR CB C 3 72.413 72.413 69.078 3.335 25910 5331 1 18 . 1 1 3 3 THR H H 3 8.076 8.076 7.977 0.099 25910 5332 1 18 . 1 1 4 4 TYR N N 4 128.256 128.256 127.952 0.304 25910 5333 1 18 . 1 1 4 4 TYR HA H 4 5.271 5.271 4.834 0.437 25910 5334 1 18 . 1 1 4 4 TYR C C 4 174.213 174.213 175.689 -1.476 25910 5335 1 18 . 1 1 4 4 TYR CA C 4 56.625 56.625 57.467 -0.842 25910 5336 1 18 . 1 1 4 4 TYR CB C 4 42.657 42.657 38.922 3.735 25910 5337 1 18 . 1 1 4 4 TYR H H 4 9.273 9.273 8.538 0.735 25910 5338 1 18 . 1 1 5 5 LYS N N 5 124.678 124.678 125.372 -0.694 25910 5339 1 18 . 1 1 5 5 LYS HA H 5 5.169 5.169 4.675 0.494 25910 5340 1 18 . 1 1 5 5 LYS C C 5 172.616 172.616 175.452 -2.836 25910 5341 1 18 . 1 1 5 5 LYS CA C 5 54.875 54.875 56.317 -1.442 25910 5342 1 18 . 1 1 5 5 LYS CB C 5 28.908 28.908 32.827 -3.919 25910 5343 1 18 . 1 1 5 5 LYS H H 5 9.075 9.075 8.814 0.261 25910 5344 1 18 . 1 1 6 6 LEU N N 6 128.375 128.375 128.256 0.119 25910 5345 1 18 . 1 1 6 6 LEU HA H 6 4.839 4.839 5.148 -0.309 25910 5346 1 18 . 1 1 6 6 LEU C C 6 174.425 174.425 175.000 -0.575 25910 5347 1 18 . 1 1 6 6 LEU CA C 6 52.459 52.459 53.419 -0.960 25910 5348 1 18 . 1 1 6 6 LEU H H 6 8.541 8.541 8.835 -0.294 25910 5349 1 18 . 1 1 7 7 ILE N N 7 128.123 128.123 128.486 -0.363 25910 5350 1 18 . 1 1 7 7 ILE HA H 7 4.221 4.221 4.650 -0.429 25910 5351 1 18 . 1 1 7 7 ILE C C 7 174.566 174.566 174.147 0.419 25910 5352 1 18 . 1 1 7 7 ILE CA C 7 60.226 60.226 59.763 0.463 25910 5353 1 18 . 1 1 7 7 ILE CB C 7 37.977 37.977 40.168 -2.191 25910 5354 1 18 . 1 1 7 7 ILE H H 7 9.020 9.020 9.100 -0.080 25910 5355 1 18 . 1 1 8 8 LEU N N 8 127.628 127.628 129.063 -1.435 25910 5356 1 18 . 1 1 8 8 LEU HA H 8 4.383 4.383 4.300 0.083 25910 5357 1 18 . 1 1 8 8 LEU C C 8 174.640 174.640 175.365 -0.725 25910 5358 1 18 . 1 1 8 8 LEU CA C 8 54.428 54.428 54.442 -0.014 25910 5359 1 18 . 1 1 8 8 LEU CB C 8 42.014 42.014 42.678 -0.664 25910 5360 1 18 . 1 1 8 8 LEU H H 8 8.640 8.640 8.905 -0.265 25910 5361 1 18 . 1 1 9 9 ASN N N 9 128.380 128.380 124.576 3.804 25910 5362 1 18 . 1 1 9 9 ASN HA H 9 5.214 5.214 4.882 0.332 25910 5363 1 18 . 1 1 9 9 ASN C C 9 175.683 175.683 173.497 2.186 25910 5364 1 18 . 1 1 9 9 ASN CA C 9 50.778 50.778 52.531 -1.753 25910 5365 1 18 . 1 1 9 9 ASN CB C 9 37.691 37.691 40.420 -2.729 25910 5366 1 18 . 1 1 9 9 ASN H H 9 8.830 8.830 8.960 -0.130 25910 5367 1 18 . 1 1 10 10 GLY N N 10 111.563 111.563 109.182 2.381 25910 5368 1 18 . 1 1 10 10 GLY C C 10 173.311 173.311 175.195 -1.884 25910 5369 1 18 . 1 1 10 10 GLY CA C 10 44.735 44.735 43.332 1.403 25910 5370 1 18 . 1 1 10 10 GLY H H 10 7.831 7.831 7.571 0.260 25910 5371 1 18 . 1 1 11 11 LYS N N 11 122.942 122.942 120.107 2.835 25910 5372 1 18 . 1 1 11 11 LYS HA H 11 3.990 3.990 4.058 -0.068 25910 5373 1 18 . 1 1 11 11 LYS C C 11 178.822 178.822 176.177 2.645 25910 5374 1 18 . 1 1 11 11 LYS CA C 11 58.885 58.885 58.512 0.373 25910 5375 1 18 . 1 1 11 11 LYS CB C 11 32.330 32.330 31.016 1.314 25910 5376 1 18 . 1 1 11 11 LYS H H 11 9.419 9.419 8.786 0.633 25910 5377 1 18 . 1 1 12 12 THR N N 12 110.192 110.192 112.204 -2.012 25910 5378 1 18 . 1 1 12 12 THR HA H 12 4.312 4.312 4.308 0.004 25910 5379 1 18 . 1 1 12 12 THR C C 12 173.575 173.575 173.694 -0.119 25910 5380 1 18 . 1 1 12 12 THR CA C 12 61.517 61.517 62.513 -0.996 25910 5381 1 18 . 1 1 12 12 THR CB C 12 69.598 69.598 70.420 -0.822 25910 5382 1 18 . 1 1 12 12 THR H H 12 8.743 8.743 7.985 0.758 25910 5383 1 18 . 1 1 13 13 LEU N N 13 127.300 127.300 119.791 7.509 25910 5384 1 18 . 1 1 13 13 LEU HA H 13 4.401 4.401 4.959 -0.558 25910 5385 1 18 . 1 1 13 13 LEU C C 13 173.148 173.148 174.405 -1.257 25910 5386 1 18 . 1 1 13 13 LEU CA C 13 54.953 54.953 53.385 1.568 25910 5387 1 18 . 1 1 13 13 LEU CB C 13 43.166 43.166 44.376 -1.210 25910 5388 1 18 . 1 1 13 13 LEU H H 13 7.273 7.273 7.573 -0.300 25910 5389 1 18 . 1 1 14 14 LYS N N 14 125.544 125.544 118.535 7.009 25910 5390 1 18 . 1 1 14 14 LYS HA H 14 5.097 5.097 4.616 0.481 25910 5391 1 18 . 1 1 14 14 LYS C C 14 176.255 176.255 175.048 1.207 25910 5392 1 18 . 1 1 14 14 LYS CA C 14 53.661 53.661 55.175 -1.514 25910 5393 1 18 . 1 1 14 14 LYS CB C 14 34.743 34.743 36.406 -1.663 25910 5394 1 18 . 1 1 14 14 LYS H H 14 8.062 8.062 8.286 -0.224 25910 5395 1 18 . 1 1 15 15 GLY N N 15 111.144 111.144 107.695 3.449 25910 5396 1 18 . 1 1 15 15 GLY C C 15 171.151 171.151 171.869 -0.718 25910 5397 1 18 . 1 1 15 15 GLY CA C 15 45.006 45.006 45.479 -0.473 25910 5398 1 18 . 1 1 15 15 GLY H H 15 8.349 8.349 8.066 0.283 25910 5399 1 18 . 1 1 16 16 GLU N N 16 120.581 120.581 123.324 -2.743 25910 5400 1 18 . 1 1 16 16 GLU HA H 16 5.546 5.546 5.313 0.233 25910 5401 1 18 . 1 1 16 16 GLU C C 16 175.034 175.034 175.168 -0.134 25910 5402 1 18 . 1 1 16 16 GLU CA C 16 54.528 54.528 55.170 -0.642 25910 5403 1 18 . 1 1 16 16 GLU CB C 16 33.817 33.817 32.141 1.676 25910 5404 1 18 . 1 1 16 16 GLU H H 16 8.346 8.346 8.586 -0.240 25910 5405 1 18 . 1 1 17 17 THR N N 17 117.658 117.658 117.537 0.121 25910 5406 1 18 . 1 1 17 17 THR HA H 17 4.622 4.622 4.827 -0.205 25910 5407 1 18 . 1 1 17 17 THR C C 17 171.834 171.834 172.707 -0.873 25910 5408 1 18 . 1 1 17 17 THR CA C 17 60.610 60.610 59.907 0.703 25910 5409 1 18 . 1 1 17 17 THR CB C 17 69.030 69.030 70.965 -1.935 25910 5410 1 18 . 1 1 17 17 THR H H 17 8.636 8.636 8.863 -0.227 25910 5411 1 18 . 1 1 18 18 THR N N 18 113.707 113.707 114.691 -0.984 25910 5412 1 18 . 1 1 18 18 THR HA H 18 5.794 5.794 5.253 0.541 25910 5413 1 18 . 1 1 18 18 THR C C 18 173.871 173.871 174.051 -0.180 25910 5414 1 18 . 1 1 18 18 THR CA C 18 59.750 59.750 61.019 -1.269 25910 5415 1 18 . 1 1 18 18 THR CB C 18 73.077 73.077 71.173 1.904 25910 5416 1 18 . 1 1 18 18 THR H H 18 7.970 7.970 8.568 -0.598 25910 5417 1 18 . 1 1 19 19 THR N N 19 116.670 116.670 119.626 -2.956 25910 5418 1 18 . 1 1 19 19 THR HA H 19 4.606 4.606 4.726 -0.120 25910 5419 1 18 . 1 1 19 19 THR C C 19 171.009 171.009 172.925 -1.916 25910 5420 1 18 . 1 1 19 19 THR CA C 19 62.179 62.179 61.691 0.488 25910 5421 1 18 . 1 1 19 19 THR CB C 19 70.463 70.463 70.701 -0.238 25910 5422 1 18 . 1 1 19 19 THR H H 19 9.018 9.018 8.344 0.674 25910 5423 1 18 . 1 1 20 20 GLU N N 20 126.491 126.491 124.202 2.289 25910 5424 1 18 . 1 1 20 20 GLU HA H 20 5.528 5.528 5.456 0.072 25910 5425 1 18 . 1 1 20 20 GLU C C 20 176.205 176.205 174.870 1.335 25910 5426 1 18 . 1 1 20 20 GLU CA C 20 54.574 54.574 54.817 -0.243 25910 5427 1 18 . 1 1 20 20 GLU CB C 20 30.757 30.757 31.246 -0.489 25910 5428 1 18 . 1 1 20 20 GLU H H 20 7.922 7.922 8.455 -0.533 25910 5429 1 18 . 1 1 21 21 ALA N N 21 126.835 126.835 126.396 0.439 25910 5430 1 18 . 1 1 21 21 ALA HA H 21 4.740 4.740 4.749 -0.009 25910 5431 1 18 . 1 1 21 21 ALA C C 21 177.223 177.223 175.486 1.737 25910 5432 1 18 . 1 1 21 21 ALA CA C 21 50.945 50.945 51.026 -0.081 25910 5433 1 18 . 1 1 21 21 ALA CB C 21 23.578 23.578 22.001 1.577 25910 5434 1 18 . 1 1 21 21 ALA H H 21 9.183 9.183 8.489 0.694 25910 5435 1 18 . 1 1 22 22 VAL N N 22 117.316 117.316 118.107 -0.791 25910 5436 1 18 . 1 1 22 22 VAL HA H 22 4.137 4.137 4.104 0.033 25910 5437 1 18 . 1 1 22 22 VAL C C 22 174.432 174.432 175.051 -0.619 25910 5438 1 18 . 1 1 22 22 VAL CA C 22 63.321 63.321 63.380 -0.059 25910 5439 1 18 . 1 1 22 22 VAL CB C 22 32.120 32.120 32.490 -0.370 25910 5440 1 18 . 1 1 22 22 VAL H H 22 8.519 8.519 8.517 0.002 25910 5441 1 18 . 1 1 23 23 ASP N N 23 116.395 116.395 116.105 0.290 25910 5442 1 18 . 1 1 23 23 ASP HA H 23 4.580 4.580 4.840 -0.260 25910 5443 1 18 . 1 1 23 23 ASP C C 23 174.391 174.391 175.359 -0.968 25910 5444 1 18 . 1 1 23 23 ASP CA C 23 52.345 52.345 53.278 -0.933 25910 5445 1 18 . 1 1 23 23 ASP CB C 23 42.149 42.149 42.755 -0.606 25910 5446 1 18 . 1 1 23 23 ASP H H 23 7.191 7.191 7.655 -0.464 25910 5447 1 18 . 1 1 24 24 ALA N N 24 123.019 123.019 123.191 -0.172 25910 5448 1 18 . 1 1 24 24 ALA HA H 24 3.349 3.349 3.401 -0.052 25910 5449 1 18 . 1 1 24 24 ALA C C 24 179.001 179.001 178.332 0.669 25910 5450 1 18 . 1 1 24 24 ALA CA C 24 54.346 54.346 54.747 -0.401 25910 5451 1 18 . 1 1 24 24 ALA CB C 24 17.327 17.327 18.211 -0.884 25910 5452 1 18 . 1 1 24 24 ALA H H 24 8.315 8.315 8.432 -0.117 25910 5453 1 18 . 1 1 25 25 ALA N N 25 122.203 122.203 121.240 0.963 25910 5454 1 18 . 1 1 25 25 ALA HA H 25 3.891 3.891 4.172 -0.281 25910 5455 1 18 . 1 1 25 25 ALA C C 25 180.736 180.736 179.547 1.189 25910 5456 1 18 . 1 1 25 25 ALA CA C 25 54.646 54.646 55.037 -0.391 25910 5457 1 18 . 1 1 25 25 ALA CB C 25 17.623 17.623 17.881 -0.258 25910 5458 1 18 . 1 1 25 25 ALA H H 25 7.982 7.982 8.305 -0.323 25910 5459 1 18 . 1 1 26 26 THR N N 26 118.231 118.231 113.983 4.248 25910 5460 1 18 . 1 1 26 26 THR HA H 26 3.973 3.973 3.946 0.027 25910 5461 1 18 . 1 1 26 26 THR C C 26 175.969 175.969 176.346 -0.377 25910 5462 1 18 . 1 1 26 26 THR CA C 26 66.690 66.690 66.117 0.573 25910 5463 1 18 . 1 1 26 26 THR CB C 26 66.977 66.977 68.480 -1.503 25910 5464 1 18 . 1 1 26 26 THR H H 26 8.258 8.258 7.940 0.318 25910 5465 1 18 . 1 1 27 27 ALA N N 27 125.522 125.522 124.094 1.428 25910 5466 1 18 . 1 1 27 27 ALA HA H 27 3.008 3.008 4.109 -1.101 25910 5467 1 18 . 1 1 27 27 ALA C C 27 176.928 176.928 179.005 -2.077 25910 5468 1 18 . 1 1 27 27 ALA CA C 27 54.544 54.544 54.889 -0.345 25910 5469 1 18 . 1 1 27 27 ALA CB C 27 17.299 17.299 17.985 -0.686 25910 5470 1 18 . 1 1 27 27 ALA H H 27 6.992 6.992 7.480 -0.488 25910 5471 1 18 . 1 1 28 28 GLU N N 28 118.584 118.584 119.335 -0.751 25910 5472 1 18 . 1 1 28 28 GLU HA H 28 2.575 2.575 3.815 -1.240 25910 5473 1 18 . 1 1 28 28 GLU C C 28 177.127 177.127 178.807 -1.680 25910 5474 1 18 . 1 1 28 28 GLU CA C 28 59.522 59.522 59.718 -0.196 25910 5475 1 18 . 1 1 28 28 GLU CB C 28 32.612 32.612 29.552 3.059 25910 5476 1 18 . 1 1 28 28 GLU H H 28 8.284 8.284 8.511 -0.227 25910 5477 1 18 . 1 1 29 29 LYS N N 29 118.504 118.504 118.155 0.349 25910 5478 1 18 . 1 1 29 29 LYS HA H 29 3.654 3.654 3.911 -0.257 25910 5479 1 18 . 1 1 29 29 LYS C C 29 179.844 179.844 179.422 0.422 25910 5480 1 18 . 1 1 29 29 LYS CA C 29 59.589 59.589 58.991 0.598 25910 5481 1 18 . 1 1 29 29 LYS CB C 29 32.200 32.200 32.448 -0.248 25910 5482 1 18 . 1 1 29 29 LYS H H 29 6.861 6.861 7.976 -1.115 25910 5483 1 18 . 1 1 30 30 VAL N N 30 122.501 122.501 119.994 2.507 25910 5484 1 18 . 1 1 30 30 VAL HA H 30 3.550 3.550 3.655 -0.105 25910 5485 1 18 . 1 1 30 30 VAL C C 30 179.643 179.643 178.470 1.173 25910 5486 1 18 . 1 1 30 30 VAL CA C 30 65.870 65.870 65.861 0.009 25910 5487 1 18 . 1 1 30 30 VAL CB C 30 31.729 31.729 31.948 -0.219 25910 5488 1 18 . 1 1 30 30 VAL H H 30 7.203 7.203 7.383 -0.180 25910 5489 1 18 . 1 1 31 31 PHE N N 31 122.601 122.601 118.144 4.457 25910 5490 1 18 . 1 1 31 31 PHE C C 31 178.161 178.161 177.476 0.685 25910 5491 1 18 . 1 1 31 31 PHE CA C 31 55.903 55.903 59.490 -3.587 25910 5492 1 18 . 1 1 31 31 PHE H H 31 8.398 8.398 8.244 0.154 25910 5493 1 18 . 1 1 32 32 LYS N N 32 124.739 124.739 121.378 3.361 25910 5494 1 18 . 1 1 32 32 LYS HA H 32 4.085 4.085 4.030 0.055 25910 5495 1 18 . 1 1 32 32 LYS C C 32 179.432 179.432 178.480 0.952 25910 5496 1 18 . 1 1 32 32 LYS CA C 32 59.714 59.714 60.390 -0.676 25910 5497 1 18 . 1 1 32 32 LYS CB C 32 31.660 31.660 31.983 -0.323 25910 5498 1 18 . 1 1 32 32 LYS H H 32 9.078 9.078 7.865 1.213 25910 5499 1 18 . 1 1 33 33 GLN N N 33 121.561 121.561 117.595 3.966 25910 5500 1 18 . 1 1 33 33 GLN HA H 33 3.986 3.986 4.013 -0.027 25910 5501 1 18 . 1 1 33 33 GLN C C 33 176.867 176.867 178.464 -1.597 25910 5502 1 18 . 1 1 33 33 GLN CA C 33 58.531 58.531 58.944 -0.413 25910 5503 1 18 . 1 1 33 33 GLN CB C 33 27.914 27.914 28.662 -0.748 25910 5504 1 18 . 1 1 33 33 GLN H H 33 7.325 7.325 7.772 -0.447 25910 5505 1 18 . 1 1 34 34 TYR N N 34 122.729 122.729 120.076 2.653 25910 5506 1 18 . 1 1 34 34 TYR HA H 34 4.206 4.206 4.222 -0.016 25910 5507 1 18 . 1 1 34 34 TYR C C 34 178.875 178.875 177.023 1.852 25910 5508 1 18 . 1 1 34 34 TYR CA C 34 61.673 61.673 60.601 1.072 25910 5509 1 18 . 1 1 34 34 TYR CB C 34 38.779 38.779 38.095 0.684 25910 5510 1 18 . 1 1 34 34 TYR H H 34 8.165 8.165 8.247 -0.082 25910 5511 1 18 . 1 1 35 35 ALA N N 35 124.565 124.565 121.558 3.007 25910 5512 1 18 . 1 1 35 35 ALA HA H 35 3.754 3.754 3.416 0.338 25910 5513 1 18 . 1 1 35 35 ALA C C 35 174.251 174.251 179.510 -5.259 25910 5514 1 18 . 1 1 35 35 ALA CA C 35 56.260 56.260 55.050 1.210 25910 5515 1 18 . 1 1 35 35 ALA CB C 35 17.622 17.622 18.060 -0.438 25910 5516 1 18 . 1 1 35 35 ALA H H 35 9.126 9.126 8.570 0.556 25910 5517 1 18 . 1 1 36 36 ASN N N 36 119.406 119.406 116.468 2.938 25910 5518 1 18 . 1 1 36 36 ASN HA H 36 4.370 4.370 4.484 -0.114 25910 5519 1 18 . 1 1 36 36 ASN C C 36 179.225 179.225 177.072 2.153 25910 5520 1 18 . 1 1 36 36 ASN CA C 36 56.845 56.845 55.546 1.299 25910 5521 1 18 . 1 1 36 36 ASN CB C 36 38.724 38.724 38.850 -0.126 25910 5522 1 18 . 1 1 36 36 ASN H H 36 8.156 8.156 8.134 0.022 25910 5523 1 18 . 1 1 37 37 ASP N N 37 123.289 123.289 118.445 4.844 25910 5524 1 18 . 1 1 37 37 ASP HA H 37 4.291 4.291 4.490 -0.199 25910 5525 1 18 . 1 1 37 37 ASP C C 37 176.917 176.917 177.904 -0.987 25910 5526 1 18 . 1 1 37 37 ASP CA C 37 56.791 56.791 55.934 0.857 25910 5527 1 18 . 1 1 37 37 ASP CB C 37 41.927 41.927 41.164 0.763 25910 5528 1 18 . 1 1 37 37 ASP H H 37 8.854 8.854 8.195 0.659 25910 5529 1 18 . 1 1 38 38 ASN N N 38 117.154 117.154 116.387 0.767 25910 5530 1 18 . 1 1 38 38 ASN HA H 38 4.528 4.528 4.799 -0.271 25910 5531 1 18 . 1 1 38 38 ASN C C 38 173.809 173.809 175.290 -1.481 25910 5532 1 18 . 1 1 38 38 ASN CA C 38 53.604 53.604 52.409 1.195 25910 5533 1 18 . 1 1 38 38 ASN H H 38 7.302 7.302 7.790 -0.488 25910 5534 1 18 . 1 1 39 39 GLY N N 39 109.931 109.931 108.056 1.875 25910 5535 1 18 . 1 1 39 39 GLY C C 39 177.482 177.482 173.600 3.882 25910 5536 1 18 . 1 1 39 39 GLY CA C 39 46.647 46.647 45.178 1.469 25910 5537 1 18 . 1 1 39 39 GLY H H 39 7.716 7.716 7.466 0.250 25910 5538 1 18 . 1 1 40 40 VAL N N 40 122.793 122.793 119.240 3.553 25910 5539 1 18 . 1 1 40 40 VAL HA H 40 4.099 4.099 4.282 -0.183 25910 5540 1 18 . 1 1 40 40 VAL C C 40 173.752 173.752 173.880 -0.128 25910 5541 1 18 . 1 1 40 40 VAL CA C 40 61.738 61.738 60.849 0.889 25910 5542 1 18 . 1 1 40 40 VAL CB C 40 32.918 32.918 34.206 -1.288 25910 5543 1 18 . 1 1 40 40 VAL H H 40 8.027 8.027 7.912 0.115 25910 5544 1 18 . 1 1 41 41 ASP N N 41 129.935 129.935 123.431 6.504 25910 5545 1 18 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.935 -0.110 25910 5546 1 18 . 1 1 41 41 ASP C C 41 174.270 174.270 175.369 -1.099 25910 5547 1 18 . 1 1 41 41 ASP CA C 41 52.473 52.473 52.495 -0.022 25910 5548 1 18 . 1 1 41 41 ASP CB C 41 42.513 42.513 44.313 -1.800 25910 5549 1 18 . 1 1 41 41 ASP H H 41 8.588 8.588 8.288 0.300 25910 5550 1 18 . 1 1 42 42 GLY N N 42 109.126 109.126 107.866 1.260 25910 5551 1 18 . 1 1 42 42 GLY C C 42 171.778 171.778 172.996 -1.218 25910 5552 1 18 . 1 1 42 42 GLY CA C 42 45.243 45.243 45.238 0.005 25910 5553 1 18 . 1 1 42 42 GLY H H 42 7.672 7.672 8.166 -0.494 25910 5554 1 18 . 1 1 43 43 GLU N N 43 122.448 122.448 122.150 0.298 25910 5555 1 18 . 1 1 43 43 GLU HA H 43 4.628 4.628 4.713 -0.085 25910 5556 1 18 . 1 1 43 43 GLU C C 43 176.874 176.874 176.459 0.415 25910 5557 1 18 . 1 1 43 43 GLU CA C 43 55.350 55.350 54.348 1.002 25910 5558 1 18 . 1 1 43 43 GLU CB C 43 31.207 31.207 30.900 0.307 25910 5559 1 18 . 1 1 43 43 GLU H H 43 8.089 8.089 8.481 -0.392 25910 5560 1 18 . 1 1 44 44 TRP N N 44 130.232 130.232 127.790 2.442 25910 5561 1 18 . 1 1 44 44 TRP HA H 44 5.313 5.313 5.095 0.218 25910 5562 1 18 . 1 1 44 44 TRP C C 44 176.867 176.867 176.855 0.012 25910 5563 1 18 . 1 1 44 44 TRP CA C 44 57.688 57.688 57.301 0.387 25910 5564 1 18 . 1 1 44 44 TRP CB C 44 30.268 30.268 29.478 0.790 25910 5565 1 18 . 1 1 44 44 TRP H H 44 9.284 9.284 8.926 0.358 25910 5566 1 18 . 1 1 45 45 THR N N 45 116.544 116.544 121.320 -4.776 25910 5567 1 18 . 1 1 45 45 THR HA H 45 4.626 4.626 4.800 -0.174 25910 5568 1 18 . 1 1 45 45 THR C C 45 172.518 172.518 172.737 -0.219 25910 5569 1 18 . 1 1 45 45 THR CA C 45 60.392 60.392 61.642 -1.250 25910 5570 1 18 . 1 1 45 45 THR CB C 45 72.517 72.517 70.821 1.696 25910 5571 1 18 . 1 1 45 45 THR H H 45 9.192 9.192 8.967 0.225 25910 5572 1 18 . 1 1 46 46 TYR N N 46 122.420 122.420 124.492 -2.072 25910 5573 1 18 . 1 1 46 46 TYR HA H 46 4.375 4.375 4.808 -0.433 25910 5574 1 18 . 1 1 46 46 TYR C C 46 173.077 173.077 174.476 -1.399 25910 5575 1 18 . 1 1 46 46 TYR CA C 46 56.663 56.663 55.041 1.622 25910 5576 1 18 . 1 1 46 46 TYR CB C 46 38.701 38.701 38.935 -0.234 25910 5577 1 18 . 1 1 46 46 TYR H H 46 8.512 8.512 8.109 0.403 25910 5578 1 18 . 1 1 47 47 ASP N N 47 130.329 130.329 123.517 6.812 25910 5579 1 18 . 1 1 47 47 ASP HA H 47 4.520 4.520 4.748 -0.228 25910 5580 1 18 . 1 1 47 47 ASP C C 47 174.266 174.266 176.126 -1.860 25910 5581 1 18 . 1 1 47 47 ASP CA C 47 51.864 51.864 52.270 -0.406 25910 5582 1 18 . 1 1 47 47 ASP CB C 47 42.670 42.670 42.616 0.054 25910 5583 1 18 . 1 1 47 47 ASP H H 47 7.613 7.613 8.520 -0.907 25910 5584 1 18 . 1 1 48 48 ASP N N 48 126.699 126.699 125.136 1.563 25910 5585 1 18 . 1 1 48 48 ASP HA H 48 4.019 4.019 4.520 -0.501 25910 5586 1 18 . 1 1 48 48 ASP C C 48 177.981 177.981 176.141 1.840 25910 5587 1 18 . 1 1 48 48 ASP CA C 48 56.198 56.198 55.878 0.320 25910 5588 1 18 . 1 1 48 48 ASP CB C 48 41.614 41.614 40.753 0.861 25910 5589 1 18 . 1 1 48 48 ASP H H 48 8.422 8.422 8.767 -0.345 25910 5590 1 18 . 1 1 49 49 ALA N N 49 121.819 121.819 122.975 -1.156 25910 5591 1 18 . 1 1 49 49 ALA HA H 49 4.021 4.021 4.343 -0.322 25910 5592 1 18 . 1 1 49 49 ALA C C 49 179.522 179.522 179.374 0.148 25910 5593 1 18 . 1 1 49 49 ALA CA C 49 54.829 54.829 53.820 1.009 25910 5594 1 18 . 1 1 49 49 ALA CB C 49 18.168 18.168 19.797 -1.629 25910 5595 1 18 . 1 1 49 49 ALA H H 49 8.202 8.202 8.393 -0.191 25910 5596 1 18 . 1 1 50 50 THR N N 50 105.089 105.089 112.676 -7.587 25910 5597 1 18 . 1 1 50 50 THR HA H 50 4.318 4.318 4.286 0.032 25910 5598 1 18 . 1 1 50 50 THR C C 50 174.943 174.943 174.709 0.234 25910 5599 1 18 . 1 1 50 50 THR CA C 50 60.343 60.343 63.677 -3.334 25910 5600 1 18 . 1 1 50 50 THR CB C 50 69.532 69.532 69.437 0.095 25910 5601 1 18 . 1 1 50 50 THR H H 50 6.890 6.890 8.464 -1.575 25910 5602 1 18 . 1 1 51 51 LYS N N 51 125.512 125.512 117.208 8.304 25910 5603 1 18 . 1 1 51 51 LYS HA H 51 4.079 4.079 3.962 0.117 25910 5604 1 18 . 1 1 51 51 LYS C C 51 174.733 174.733 175.055 -0.322 25910 5605 1 18 . 1 1 51 51 LYS CA C 51 57.119 57.119 57.211 -0.091 25910 5606 1 18 . 1 1 51 51 LYS CB C 51 33.975 33.975 29.485 4.490 25910 5607 1 18 . 1 1 51 51 LYS H H 51 7.764 7.764 8.132 -0.368 25910 5608 1 18 . 1 1 52 52 THR N N 52 112.742 112.742 108.162 4.580 25910 5609 1 18 . 1 1 52 52 THR HA H 52 5.437 5.437 5.353 0.084 25910 5610 1 18 . 1 1 52 52 THR C C 52 174.733 174.733 173.029 1.704 25910 5611 1 18 . 1 1 52 52 THR CA C 52 62.078 62.078 59.559 2.519 25910 5612 1 18 . 1 1 52 52 THR CB C 52 63.076 63.076 72.153 -9.077 25910 5613 1 18 . 1 1 52 52 THR H H 52 7.261 7.261 7.613 -0.352 25910 5614 1 18 . 1 1 53 53 PHE N N 53 132.937 132.937 123.991 8.946 25910 5615 1 18 . 1 1 53 53 PHE HA H 53 5.641 5.641 5.415 0.226 25910 5616 1 18 . 1 1 53 53 PHE C C 53 174.377 174.377 173.938 0.439 25910 5617 1 18 . 1 1 53 53 PHE CA C 53 56.995 56.995 55.333 1.662 25910 5618 1 18 . 1 1 53 53 PHE CB C 53 42.679 42.679 42.129 0.550 25910 5619 1 18 . 1 1 53 53 PHE H H 53 10.363 10.363 9.506 0.857 25910 5620 1 18 . 1 1 54 54 THR N N 54 119.069 119.069 123.632 -4.563 25910 5621 1 18 . 1 1 54 54 THR HA H 54 5.140 5.140 4.990 0.150 25910 5622 1 18 . 1 1 54 54 THR C C 54 172.417 172.417 173.671 -1.254 25910 5623 1 18 . 1 1 54 54 THR CA C 54 61.408 61.408 61.230 0.178 25910 5624 1 18 . 1 1 54 54 THR CB C 54 65.839 65.839 70.077 -4.238 25910 5625 1 18 . 1 1 54 54 THR H H 54 9.011 9.011 8.749 0.262 25910 5626 1 18 . 1 1 55 55 VAL N N 55 125.268 125.268 127.392 -2.124 25910 5627 1 18 . 1 1 55 55 VAL HA H 55 4.382 4.382 4.226 0.156 25910 5628 1 18 . 1 1 55 55 VAL CA C 55 57.834 57.834 60.848 -3.014 25910 5629 1 18 . 1 1 55 55 VAL CB C 55 32.223 32.223 30.252 1.971 25910 5630 1 18 . 1 1 55 55 VAL H H 55 8.122 8.122 8.763 -0.641 25910 5631 1 18 . 1 1 56 56 THR N N 56 125.548 125.548 124.405 1.143 25910 5632 1 18 . 1 1 56 56 THR C C 56 173.901 173.901 173.133 0.768 25910 5633 1 18 . 1 1 56 56 THR CA C 56 61.272 61.272 61.322 -0.050 25910 5634 1 18 . 1 1 56 56 THR H H 56 8.306 8.306 8.075 0.231 25910 5635 1 19 . 1 1 2 2 GLY N N 2 113.750 113.750 109.550 4.200 25910 5636 1 19 . 1 1 2 2 GLY C C 2 176.605 176.605 173.405 3.200 25910 5637 1 19 . 1 1 2 2 GLY CA C 2 44.589 44.589 45.220 -0.631 25910 5638 1 19 . 1 1 2 2 GLY H H 2 8.454 8.454 8.538 -0.084 25910 5639 1 19 . 1 1 3 3 THR N N 3 118.182 118.182 115.565 2.617 25910 5640 1 19 . 1 1 3 3 THR HA H 3 4.594 4.594 4.747 -0.153 25910 5641 1 19 . 1 1 3 3 THR C C 3 173.943 173.943 173.496 0.447 25910 5642 1 19 . 1 1 3 3 THR CA C 3 62.633 62.633 61.951 0.682 25910 5643 1 19 . 1 1 3 3 THR CB C 3 72.413 72.413 70.982 1.431 25910 5644 1 19 . 1 1 3 3 THR H H 3 8.076 8.076 7.925 0.151 25910 5645 1 19 . 1 1 4 4 TYR N N 4 128.256 128.256 126.630 1.626 25910 5646 1 19 . 1 1 4 4 TYR HA H 4 5.271 5.271 4.680 0.591 25910 5647 1 19 . 1 1 4 4 TYR C C 4 174.213 174.213 175.663 -1.450 25910 5648 1 19 . 1 1 4 4 TYR CA C 4 56.625 56.625 58.047 -1.421 25910 5649 1 19 . 1 1 4 4 TYR CB C 4 42.657 42.657 39.388 3.269 25910 5650 1 19 . 1 1 4 4 TYR H H 4 9.273 9.273 8.611 0.662 25910 5651 1 19 . 1 1 5 5 LYS N N 5 124.678 124.678 124.746 -0.068 25910 5652 1 19 . 1 1 5 5 LYS HA H 5 5.169 5.169 4.430 0.739 25910 5653 1 19 . 1 1 5 5 LYS C C 5 172.616 172.616 175.454 -2.838 25910 5654 1 19 . 1 1 5 5 LYS CA C 5 54.875 54.875 56.344 -1.469 25910 5655 1 19 . 1 1 5 5 LYS CB C 5 28.908 28.908 32.440 -3.531 25910 5656 1 19 . 1 1 5 5 LYS H H 5 9.075 9.075 9.001 0.074 25910 5657 1 19 . 1 1 6 6 LEU N N 6 128.375 128.375 128.113 0.262 25910 5658 1 19 . 1 1 6 6 LEU HA H 6 4.839 4.839 4.807 0.032 25910 5659 1 19 . 1 1 6 6 LEU C C 6 174.425 174.425 174.936 -0.511 25910 5660 1 19 . 1 1 6 6 LEU CA C 6 52.459 52.459 53.873 -1.414 25910 5661 1 19 . 1 1 6 6 LEU H H 6 8.541 8.541 8.149 0.392 25910 5662 1 19 . 1 1 7 7 ILE N N 7 128.123 128.123 128.103 0.020 25910 5663 1 19 . 1 1 7 7 ILE HA H 7 4.221 4.221 4.586 -0.365 25910 5664 1 19 . 1 1 7 7 ILE C C 7 174.566 174.566 174.333 0.233 25910 5665 1 19 . 1 1 7 7 ILE CA C 7 60.226 60.226 59.731 0.495 25910 5666 1 19 . 1 1 7 7 ILE CB C 7 37.977 37.977 40.862 -2.885 25910 5667 1 19 . 1 1 7 7 ILE H H 7 9.020 9.020 9.267 -0.247 25910 5668 1 19 . 1 1 8 8 LEU N N 8 127.628 127.628 126.544 1.084 25910 5669 1 19 . 1 1 8 8 LEU HA H 8 4.383 4.383 4.660 -0.277 25910 5670 1 19 . 1 1 8 8 LEU C C 8 174.640 174.640 175.243 -0.603 25910 5671 1 19 . 1 1 8 8 LEU CA C 8 54.428 54.428 53.943 0.485 25910 5672 1 19 . 1 1 8 8 LEU CB C 8 42.014 42.014 44.228 -2.214 25910 5673 1 19 . 1 1 8 8 LEU H H 8 8.640 8.640 8.773 -0.133 25910 5674 1 19 . 1 1 9 9 ASN N N 9 128.380 128.380 122.232 6.148 25910 5675 1 19 . 1 1 9 9 ASN HA H 9 5.214 5.214 4.939 0.275 25910 5676 1 19 . 1 1 9 9 ASN C C 9 175.683 175.683 174.341 1.342 25910 5677 1 19 . 1 1 9 9 ASN CA C 9 50.778 50.778 52.373 -1.595 25910 5678 1 19 . 1 1 9 9 ASN CB C 9 37.691 37.691 40.826 -3.135 25910 5679 1 19 . 1 1 9 9 ASN H H 9 8.830 8.830 9.053 -0.223 25910 5680 1 19 . 1 1 10 10 GLY N N 10 111.563 111.563 110.115 1.448 25910 5681 1 19 . 1 1 10 10 GLY C C 10 173.311 173.311 174.423 -1.112 25910 5682 1 19 . 1 1 10 10 GLY CA C 10 44.735 44.735 44.247 0.488 25910 5683 1 19 . 1 1 10 10 GLY H H 10 7.831 7.831 8.521 -0.690 25910 5684 1 19 . 1 1 11 11 LYS N N 11 122.942 122.942 119.789 3.153 25910 5685 1 19 . 1 1 11 11 LYS HA H 11 3.990 3.990 4.197 -0.207 25910 5686 1 19 . 1 1 11 11 LYS C C 11 178.822 178.822 176.839 1.983 25910 5687 1 19 . 1 1 11 11 LYS CA C 11 58.885 58.885 58.103 0.782 25910 5688 1 19 . 1 1 11 11 LYS CB C 11 32.330 32.330 32.407 -0.077 25910 5689 1 19 . 1 1 11 11 LYS H H 11 9.419 9.419 8.571 0.848 25910 5690 1 19 . 1 1 12 12 THR N N 12 110.192 110.192 111.374 -1.182 25910 5691 1 19 . 1 1 12 12 THR HA H 12 4.312 4.312 4.332 -0.020 25910 5692 1 19 . 1 1 12 12 THR C C 12 173.575 173.575 173.534 0.041 25910 5693 1 19 . 1 1 12 12 THR CA C 12 61.517 61.517 62.578 -1.062 25910 5694 1 19 . 1 1 12 12 THR CB C 12 69.598 69.598 69.975 -0.377 25910 5695 1 19 . 1 1 12 12 THR H H 12 8.743 8.743 8.222 0.521 25910 5696 1 19 . 1 1 13 13 LEU N N 13 127.300 127.300 119.164 8.136 25910 5697 1 19 . 1 1 13 13 LEU HA H 13 4.401 4.401 4.904 -0.503 25910 5698 1 19 . 1 1 13 13 LEU C C 13 173.148 173.148 174.364 -1.216 25910 5699 1 19 . 1 1 13 13 LEU CA C 13 54.953 54.953 53.123 1.830 25910 5700 1 19 . 1 1 13 13 LEU CB C 13 43.166 43.166 44.752 -1.585 25910 5701 1 19 . 1 1 13 13 LEU H H 13 7.273 7.273 7.557 -0.284 25910 5702 1 19 . 1 1 14 14 LYS N N 14 125.544 125.544 119.344 6.200 25910 5703 1 19 . 1 1 14 14 LYS HA H 14 5.097 5.097 5.138 -0.041 25910 5704 1 19 . 1 1 14 14 LYS C C 14 176.255 176.255 175.875 0.380 25910 5705 1 19 . 1 1 14 14 LYS CA C 14 53.661 53.661 54.617 -0.956 25910 5706 1 19 . 1 1 14 14 LYS CB C 14 34.743 34.743 35.822 -1.079 25910 5707 1 19 . 1 1 14 14 LYS H H 14 8.062 8.062 8.215 -0.153 25910 5708 1 19 . 1 1 15 15 GLY N N 15 111.144 111.144 107.036 4.108 25910 5709 1 19 . 1 1 15 15 GLY C C 15 171.151 171.151 172.358 -1.207 25910 5710 1 19 . 1 1 15 15 GLY CA C 15 45.006 45.006 45.208 -0.202 25910 5711 1 19 . 1 1 15 15 GLY H H 15 8.349 8.349 8.545 -0.196 25910 5712 1 19 . 1 1 16 16 GLU N N 16 120.581 120.581 122.074 -1.493 25910 5713 1 19 . 1 1 16 16 GLU HA H 16 5.546 5.546 5.000 0.546 25910 5714 1 19 . 1 1 16 16 GLU C C 16 175.034 175.034 174.724 0.310 25910 5715 1 19 . 1 1 16 16 GLU CA C 16 54.528 54.528 55.366 -0.838 25910 5716 1 19 . 1 1 16 16 GLU CB C 16 33.817 33.817 32.908 0.909 25910 5717 1 19 . 1 1 16 16 GLU H H 16 8.346 8.346 8.537 -0.191 25910 5718 1 19 . 1 1 17 17 THR N N 17 117.658 117.658 118.320 -0.662 25910 5719 1 19 . 1 1 17 17 THR HA H 17 4.622 4.622 4.711 -0.089 25910 5720 1 19 . 1 1 17 17 THR C C 17 171.834 171.834 172.555 -0.721 25910 5721 1 19 . 1 1 17 17 THR CA C 17 60.610 60.610 60.338 0.272 25910 5722 1 19 . 1 1 17 17 THR CB C 17 69.030 69.030 71.137 -2.107 25910 5723 1 19 . 1 1 17 17 THR H H 17 8.636 8.636 8.989 -0.353 25910 5724 1 19 . 1 1 18 18 THR N N 18 113.707 113.707 112.610 1.097 25910 5725 1 19 . 1 1 18 18 THR HA H 18 5.794 5.794 4.914 0.880 25910 5726 1 19 . 1 1 18 18 THR C C 18 173.871 173.871 173.843 0.028 25910 5727 1 19 . 1 1 18 18 THR CA C 18 59.750 59.750 61.431 -1.681 25910 5728 1 19 . 1 1 18 18 THR CB C 18 73.077 73.077 71.673 1.404 25910 5729 1 19 . 1 1 18 18 THR H H 18 7.970 7.970 8.469 -0.499 25910 5730 1 19 . 1 1 19 19 THR N N 19 116.670 116.670 119.422 -2.752 25910 5731 1 19 . 1 1 19 19 THR HA H 19 4.606 4.606 4.797 -0.191 25910 5732 1 19 . 1 1 19 19 THR C C 19 171.009 171.009 172.882 -1.873 25910 5733 1 19 . 1 1 19 19 THR CA C 19 62.179 62.179 61.668 0.511 25910 5734 1 19 . 1 1 19 19 THR CB C 19 70.463 70.463 71.192 -0.729 25910 5735 1 19 . 1 1 19 19 THR H H 19 9.018 9.018 8.849 0.169 25910 5736 1 19 . 1 1 20 20 GLU N N 20 126.491 126.491 125.102 1.389 25910 5737 1 19 . 1 1 20 20 GLU HA H 20 5.528 5.528 4.849 0.679 25910 5738 1 19 . 1 1 20 20 GLU C C 20 176.205 176.205 175.189 1.016 25910 5739 1 19 . 1 1 20 20 GLU CA C 20 54.574 54.574 55.574 -1.000 25910 5740 1 19 . 1 1 20 20 GLU CB C 20 30.757 30.757 30.444 0.313 25910 5741 1 19 . 1 1 20 20 GLU H H 20 7.922 7.922 8.548 -0.626 25910 5742 1 19 . 1 1 21 21 ALA N N 21 126.835 126.835 128.012 -1.177 25910 5743 1 19 . 1 1 21 21 ALA HA H 21 4.740 4.740 4.614 0.126 25910 5744 1 19 . 1 1 21 21 ALA C C 21 177.223 177.223 175.692 1.531 25910 5745 1 19 . 1 1 21 21 ALA CA C 21 50.945 50.945 51.095 -0.150 25910 5746 1 19 . 1 1 21 21 ALA CB C 21 23.578 23.578 21.210 2.368 25910 5747 1 19 . 1 1 21 21 ALA H H 21 9.183 9.183 8.554 0.629 25910 5748 1 19 . 1 1 22 22 VAL N N 22 117.316 117.316 118.981 -1.665 25910 5749 1 19 . 1 1 22 22 VAL HA H 22 4.137 4.137 4.047 0.090 25910 5750 1 19 . 1 1 22 22 VAL C C 22 174.432 174.432 175.345 -0.913 25910 5751 1 19 . 1 1 22 22 VAL CA C 22 63.321 63.321 64.078 -0.757 25910 5752 1 19 . 1 1 22 22 VAL CB C 22 32.120 32.120 32.486 -0.366 25910 5753 1 19 . 1 1 22 22 VAL H H 22 8.519 8.519 8.468 0.051 25910 5754 1 19 . 1 1 23 23 ASP N N 23 116.395 116.395 115.876 0.519 25910 5755 1 19 . 1 1 23 23 ASP HA H 23 4.580 4.580 4.992 -0.412 25910 5756 1 19 . 1 1 23 23 ASP C C 23 174.391 174.391 176.036 -1.645 25910 5757 1 19 . 1 1 23 23 ASP CA C 23 52.345 52.345 53.287 -0.942 25910 5758 1 19 . 1 1 23 23 ASP CB C 23 42.149 42.149 42.898 -0.749 25910 5759 1 19 . 1 1 23 23 ASP H H 23 7.191 7.191 7.818 -0.627 25910 5760 1 19 . 1 1 24 24 ALA N N 24 123.019 123.019 123.537 -0.518 25910 5761 1 19 . 1 1 24 24 ALA HA H 24 3.349 3.349 3.304 0.045 25910 5762 1 19 . 1 1 24 24 ALA C C 24 179.001 179.001 178.449 0.552 25910 5763 1 19 . 1 1 24 24 ALA CA C 24 54.346 54.346 55.233 -0.887 25910 5764 1 19 . 1 1 24 24 ALA CB C 24 17.327 17.327 18.573 -1.246 25910 5765 1 19 . 1 1 24 24 ALA H H 24 8.315 8.315 8.584 -0.269 25910 5766 1 19 . 1 1 25 25 ALA N N 25 122.203 122.203 119.710 2.493 25910 5767 1 19 . 1 1 25 25 ALA HA H 25 3.891 3.891 3.975 -0.084 25910 5768 1 19 . 1 1 25 25 ALA C C 25 180.736 180.736 179.794 0.942 25910 5769 1 19 . 1 1 25 25 ALA CA C 25 54.646 54.646 55.117 -0.471 25910 5770 1 19 . 1 1 25 25 ALA CB C 25 17.623 17.623 18.030 -0.408 25910 5771 1 19 . 1 1 25 25 ALA H H 25 7.982 7.982 8.565 -0.583 25910 5772 1 19 . 1 1 26 26 THR N N 26 118.231 118.231 115.774 2.457 25910 5773 1 19 . 1 1 26 26 THR HA H 26 3.973 3.973 3.882 0.091 25910 5774 1 19 . 1 1 26 26 THR C C 26 175.969 175.969 176.364 -0.395 25910 5775 1 19 . 1 1 26 26 THR CA C 26 66.690 66.690 66.505 0.185 25910 5776 1 19 . 1 1 26 26 THR CB C 26 66.977 66.977 68.684 -1.707 25910 5777 1 19 . 1 1 26 26 THR H H 26 8.258 8.258 7.482 0.776 25910 5778 1 19 . 1 1 27 27 ALA N N 27 125.522 125.522 123.726 1.796 25910 5779 1 19 . 1 1 27 27 ALA HA H 27 3.008 3.008 3.984 -0.976 25910 5780 1 19 . 1 1 27 27 ALA C C 27 176.928 176.928 179.060 -2.132 25910 5781 1 19 . 1 1 27 27 ALA CA C 27 54.544 54.544 55.336 -0.792 25910 5782 1 19 . 1 1 27 27 ALA CB C 27 17.299 17.299 17.934 -0.635 25910 5783 1 19 . 1 1 27 27 ALA H H 27 6.992 6.992 7.623 -0.631 25910 5784 1 19 . 1 1 28 28 GLU N N 28 118.584 118.584 118.678 -0.094 25910 5785 1 19 . 1 1 28 28 GLU HA H 28 2.575 2.575 3.826 -1.251 25910 5786 1 19 . 1 1 28 28 GLU C C 28 177.127 177.127 178.502 -1.375 25910 5787 1 19 . 1 1 28 28 GLU CA C 28 59.522 59.522 59.525 -0.003 25910 5788 1 19 . 1 1 28 28 GLU CB C 28 32.612 32.612 29.573 3.039 25910 5789 1 19 . 1 1 28 28 GLU H H 28 8.284 8.284 8.503 -0.219 25910 5790 1 19 . 1 1 29 29 LYS N N 29 118.504 118.504 118.702 -0.198 25910 5791 1 19 . 1 1 29 29 LYS HA H 29 3.654 3.654 3.882 -0.228 25910 5792 1 19 . 1 1 29 29 LYS C C 29 179.844 179.844 179.144 0.700 25910 5793 1 19 . 1 1 29 29 LYS CA C 29 59.589 59.589 58.905 0.684 25910 5794 1 19 . 1 1 29 29 LYS CB C 29 32.200 32.200 32.422 -0.222 25910 5795 1 19 . 1 1 29 29 LYS H H 29 6.861 6.861 7.855 -0.994 25910 5796 1 19 . 1 1 30 30 VAL N N 30 122.501 122.501 119.470 3.031 25910 5797 1 19 . 1 1 30 30 VAL HA H 30 3.550 3.550 3.661 -0.111 25910 5798 1 19 . 1 1 30 30 VAL C C 30 179.643 179.643 178.317 1.326 25910 5799 1 19 . 1 1 30 30 VAL CA C 30 65.870 65.870 65.928 -0.058 25910 5800 1 19 . 1 1 30 30 VAL CB C 30 31.729 31.729 32.045 -0.316 25910 5801 1 19 . 1 1 30 30 VAL H H 30 7.203 7.203 7.904 -0.701 25910 5802 1 19 . 1 1 31 31 PHE N N 31 122.601 122.601 118.565 4.036 25910 5803 1 19 . 1 1 31 31 PHE C C 31 178.161 178.161 177.457 0.704 25910 5804 1 19 . 1 1 31 31 PHE CA C 31 55.903 55.903 60.532 -4.629 25910 5805 1 19 . 1 1 31 31 PHE H H 31 8.398 8.398 8.742 -0.344 25910 5806 1 19 . 1 1 32 32 LYS N N 32 124.739 124.739 120.918 3.821 25910 5807 1 19 . 1 1 32 32 LYS HA H 32 4.085 4.085 3.997 0.088 25910 5808 1 19 . 1 1 32 32 LYS C C 32 179.432 179.432 178.495 0.937 25910 5809 1 19 . 1 1 32 32 LYS CA C 32 59.714 59.714 60.352 -0.638 25910 5810 1 19 . 1 1 32 32 LYS CB C 32 31.660 31.660 31.834 -0.174 25910 5811 1 19 . 1 1 32 32 LYS H H 32 9.078 9.078 7.905 1.173 25910 5812 1 19 . 1 1 33 33 GLN N N 33 121.561 121.561 118.216 3.345 25910 5813 1 19 . 1 1 33 33 GLN HA H 33 3.986 3.986 4.022 -0.036 25910 5814 1 19 . 1 1 33 33 GLN C C 33 176.867 176.867 178.313 -1.446 25910 5815 1 19 . 1 1 33 33 GLN CA C 33 58.531 58.531 59.212 -0.681 25910 5816 1 19 . 1 1 33 33 GLN CB C 33 27.914 27.914 28.646 -0.732 25910 5817 1 19 . 1 1 33 33 GLN H H 33 7.325 7.325 7.684 -0.359 25910 5818 1 19 . 1 1 34 34 TYR N N 34 122.729 122.729 120.418 2.311 25910 5819 1 19 . 1 1 34 34 TYR HA H 34 4.206 4.206 4.224 -0.018 25910 5820 1 19 . 1 1 34 34 TYR C C 34 178.875 178.875 177.224 1.651 25910 5821 1 19 . 1 1 34 34 TYR CA C 34 61.673 61.673 60.766 0.907 25910 5822 1 19 . 1 1 34 34 TYR CB C 34 38.779 38.779 38.183 0.596 25910 5823 1 19 . 1 1 34 34 TYR H H 34 8.165 8.165 8.280 -0.115 25910 5824 1 19 . 1 1 35 35 ALA N N 35 124.565 124.565 121.182 3.383 25910 5825 1 19 . 1 1 35 35 ALA HA H 35 3.754 3.754 3.561 0.193 25910 5826 1 19 . 1 1 35 35 ALA C C 35 174.251 174.251 179.660 -5.409 25910 5827 1 19 . 1 1 35 35 ALA CA C 35 56.260 56.260 55.170 1.090 25910 5828 1 19 . 1 1 35 35 ALA CB C 35 17.622 17.622 18.235 -0.614 25910 5829 1 19 . 1 1 35 35 ALA H H 35 9.126 9.126 8.668 0.458 25910 5830 1 19 . 1 1 36 36 ASN N N 36 119.406 119.406 117.166 2.240 25910 5831 1 19 . 1 1 36 36 ASN HA H 36 4.370 4.370 4.661 -0.291 25910 5832 1 19 . 1 1 36 36 ASN C C 36 179.225 179.225 178.234 0.991 25910 5833 1 19 . 1 1 36 36 ASN CA C 36 56.845 56.845 55.202 1.643 25910 5834 1 19 . 1 1 36 36 ASN CB C 36 38.724 38.724 38.684 0.041 25910 5835 1 19 . 1 1 36 36 ASN H H 36 8.156 8.156 8.533 -0.377 25910 5836 1 19 . 1 1 37 37 ASP N N 37 123.289 123.289 120.617 2.672 25910 5837 1 19 . 1 1 37 37 ASP HA H 37 4.291 4.291 4.475 -0.184 25910 5838 1 19 . 1 1 37 37 ASP C C 37 176.917 176.917 177.828 -0.911 25910 5839 1 19 . 1 1 37 37 ASP CA C 37 56.791 56.791 56.545 0.246 25910 5840 1 19 . 1 1 37 37 ASP CB C 37 41.927 41.927 41.123 0.804 25910 5841 1 19 . 1 1 37 37 ASP H H 37 8.854 8.854 8.498 0.356 25910 5842 1 19 . 1 1 38 38 ASN N N 38 117.154 117.154 116.004 1.150 25910 5843 1 19 . 1 1 38 38 ASN HA H 38 4.528 4.528 4.785 -0.257 25910 5844 1 19 . 1 1 38 38 ASN C C 38 173.809 173.809 175.378 -1.569 25910 5845 1 19 . 1 1 38 38 ASN CA C 38 53.604 53.604 51.901 1.702 25910 5846 1 19 . 1 1 38 38 ASN H H 38 7.302 7.302 7.714 -0.412 25910 5847 1 19 . 1 1 39 39 GLY N N 39 109.931 109.931 108.002 1.929 25910 5848 1 19 . 1 1 39 39 GLY C C 39 177.482 177.482 173.559 3.923 25910 5849 1 19 . 1 1 39 39 GLY CA C 39 46.647 46.647 45.361 1.286 25910 5850 1 19 . 1 1 39 39 GLY H H 39 7.716 7.716 7.670 0.046 25910 5851 1 19 . 1 1 40 40 VAL N N 40 122.793 122.793 119.714 3.079 25910 5852 1 19 . 1 1 40 40 VAL HA H 40 4.099 4.099 4.828 -0.729 25910 5853 1 19 . 1 1 40 40 VAL C C 40 173.752 173.752 174.035 -0.283 25910 5854 1 19 . 1 1 40 40 VAL CA C 40 61.738 61.738 61.014 0.724 25910 5855 1 19 . 1 1 40 40 VAL CB C 40 32.918 32.918 34.256 -1.338 25910 5856 1 19 . 1 1 40 40 VAL H H 40 8.027 8.027 7.811 0.216 25910 5857 1 19 . 1 1 41 41 ASP N N 41 129.935 129.935 127.597 2.338 25910 5858 1 19 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.887 -0.062 25910 5859 1 19 . 1 1 41 41 ASP C C 41 174.270 174.270 174.608 -0.338 25910 5860 1 19 . 1 1 41 41 ASP CA C 41 52.473 52.473 53.754 -1.281 25910 5861 1 19 . 1 1 41 41 ASP CB C 41 42.513 42.513 42.571 -0.058 25910 5862 1 19 . 1 1 41 41 ASP H H 41 8.588 8.588 8.966 -0.378 25910 5863 1 19 . 1 1 42 42 GLY N N 42 109.126 109.126 108.717 0.409 25910 5864 1 19 . 1 1 42 42 GLY C C 42 171.778 171.778 172.829 -1.051 25910 5865 1 19 . 1 1 42 42 GLY CA C 42 45.243 45.243 44.458 0.785 25910 5866 1 19 . 1 1 42 42 GLY H H 42 7.672 7.672 7.827 -0.155 25910 5867 1 19 . 1 1 43 43 GLU N N 43 122.448 122.448 119.688 2.760 25910 5868 1 19 . 1 1 43 43 GLU HA H 43 4.628 4.628 4.438 0.190 25910 5869 1 19 . 1 1 43 43 GLU C C 43 176.874 176.874 176.598 0.276 25910 5870 1 19 . 1 1 43 43 GLU CA C 43 55.350 55.350 55.819 -0.470 25910 5871 1 19 . 1 1 43 43 GLU CB C 43 31.207 31.207 30.823 0.384 25910 5872 1 19 . 1 1 43 43 GLU H H 43 8.089 8.089 8.055 0.034 25910 5873 1 19 . 1 1 44 44 TRP N N 44 130.232 130.232 126.779 3.453 25910 5874 1 19 . 1 1 44 44 TRP HA H 44 5.313 5.313 5.044 0.269 25910 5875 1 19 . 1 1 44 44 TRP C C 44 176.867 176.867 176.427 0.440 25910 5876 1 19 . 1 1 44 44 TRP CA C 44 57.688 57.688 56.733 0.955 25910 5877 1 19 . 1 1 44 44 TRP CB C 44 30.268 30.268 29.465 0.803 25910 5878 1 19 . 1 1 44 44 TRP H H 44 9.284 9.284 8.750 0.534 25910 5879 1 19 . 1 1 45 45 THR N N 45 116.544 116.544 120.616 -4.072 25910 5880 1 19 . 1 1 45 45 THR HA H 45 4.626 4.626 4.536 0.090 25910 5881 1 19 . 1 1 45 45 THR C C 45 172.518 172.518 172.977 -0.459 25910 5882 1 19 . 1 1 45 45 THR CA C 45 60.392 60.392 61.295 -0.903 25910 5883 1 19 . 1 1 45 45 THR CB C 45 72.517 72.517 70.514 2.003 25910 5884 1 19 . 1 1 45 45 THR H H 45 9.192 9.192 8.574 0.618 25910 5885 1 19 . 1 1 46 46 TYR N N 46 122.420 122.420 124.975 -2.555 25910 5886 1 19 . 1 1 46 46 TYR HA H 46 4.375 4.375 4.396 -0.021 25910 5887 1 19 . 1 1 46 46 TYR C C 46 173.077 173.077 174.326 -1.249 25910 5888 1 19 . 1 1 46 46 TYR CA C 46 56.663 56.663 55.163 1.500 25910 5889 1 19 . 1 1 46 46 TYR CB C 46 38.701 38.701 39.569 -0.868 25910 5890 1 19 . 1 1 46 46 TYR H H 46 8.512 8.512 8.239 0.273 25910 5891 1 19 . 1 1 47 47 ASP N N 47 130.329 130.329 124.023 6.306 25910 5892 1 19 . 1 1 47 47 ASP HA H 47 4.520 4.520 4.785 -0.265 25910 5893 1 19 . 1 1 47 47 ASP C C 47 174.266 174.266 176.132 -1.866 25910 5894 1 19 . 1 1 47 47 ASP CA C 47 51.864 51.864 52.693 -0.829 25910 5895 1 19 . 1 1 47 47 ASP CB C 47 42.670 42.670 42.030 0.640 25910 5896 1 19 . 1 1 47 47 ASP H H 47 7.613 7.613 8.744 -1.131 25910 5897 1 19 . 1 1 48 48 ASP N N 48 126.699 126.699 124.115 2.584 25910 5898 1 19 . 1 1 48 48 ASP HA H 48 4.019 4.019 4.548 -0.529 25910 5899 1 19 . 1 1 48 48 ASP C C 48 177.981 177.981 176.412 1.569 25910 5900 1 19 . 1 1 48 48 ASP CA C 48 56.198 56.198 55.980 0.218 25910 5901 1 19 . 1 1 48 48 ASP CB C 48 41.614 41.614 40.643 0.971 25910 5902 1 19 . 1 1 48 48 ASP H H 48 8.422 8.422 8.820 -0.398 25910 5903 1 19 . 1 1 49 49 ALA N N 49 121.819 121.819 122.997 -1.178 25910 5904 1 19 . 1 1 49 49 ALA HA H 49 4.021 4.021 4.293 -0.272 25910 5905 1 19 . 1 1 49 49 ALA C C 49 179.522 179.522 179.355 0.167 25910 5906 1 19 . 1 1 49 49 ALA CA C 49 54.829 54.829 53.892 0.938 25910 5907 1 19 . 1 1 49 49 ALA CB C 49 18.168 18.168 19.434 -1.266 25910 5908 1 19 . 1 1 49 49 ALA H H 49 8.202 8.202 8.137 0.065 25910 5909 1 19 . 1 1 50 50 THR N N 50 105.089 105.089 112.817 -7.728 25910 5910 1 19 . 1 1 50 50 THR HA H 50 4.318 4.318 4.220 0.098 25910 5911 1 19 . 1 1 50 50 THR C C 50 174.943 174.943 174.715 0.228 25910 5912 1 19 . 1 1 50 50 THR CA C 50 60.343 60.343 63.738 -3.395 25910 5913 1 19 . 1 1 50 50 THR CB C 50 69.532 69.532 69.363 0.169 25910 5914 1 19 . 1 1 50 50 THR H H 50 6.890 6.890 8.330 -1.440 25910 5915 1 19 . 1 1 51 51 LYS N N 51 125.512 125.512 116.086 9.426 25910 5916 1 19 . 1 1 51 51 LYS HA H 51 4.079 4.079 3.917 0.162 25910 5917 1 19 . 1 1 51 51 LYS C C 51 174.733 174.733 175.054 -0.321 25910 5918 1 19 . 1 1 51 51 LYS CA C 51 57.119 57.119 57.109 0.010 25910 5919 1 19 . 1 1 51 51 LYS CB C 51 33.975 33.975 29.519 4.456 25910 5920 1 19 . 1 1 51 51 LYS H H 51 7.764 7.764 8.261 -0.497 25910 5921 1 19 . 1 1 52 52 THR N N 52 112.742 112.742 108.613 4.129 25910 5922 1 19 . 1 1 52 52 THR HA H 52 5.437 5.437 5.361 0.076 25910 5923 1 19 . 1 1 52 52 THR C C 52 174.733 174.733 172.949 1.784 25910 5924 1 19 . 1 1 52 52 THR CA C 52 62.078 62.078 59.756 2.322 25910 5925 1 19 . 1 1 52 52 THR CB C 52 63.076 63.076 72.281 -9.205 25910 5926 1 19 . 1 1 52 52 THR H H 52 7.261 7.261 7.830 -0.569 25910 5927 1 19 . 1 1 53 53 PHE N N 53 132.937 132.937 122.986 9.951 25910 5928 1 19 . 1 1 53 53 PHE HA H 53 5.641 5.641 5.418 0.223 25910 5929 1 19 . 1 1 53 53 PHE C C 53 174.377 174.377 173.331 1.046 25910 5930 1 19 . 1 1 53 53 PHE CA C 53 56.995 56.995 56.392 0.603 25910 5931 1 19 . 1 1 53 53 PHE CB C 53 42.679 42.679 43.158 -0.479 25910 5932 1 19 . 1 1 53 53 PHE H H 53 10.363 10.363 9.276 1.087 25910 5933 1 19 . 1 1 54 54 THR N N 54 119.069 119.069 123.573 -4.504 25910 5934 1 19 . 1 1 54 54 THR HA H 54 5.140 5.140 5.063 0.077 25910 5935 1 19 . 1 1 54 54 THR C C 54 172.417 172.417 173.348 -0.931 25910 5936 1 19 . 1 1 54 54 THR CA C 54 61.408 61.408 61.093 0.315 25910 5937 1 19 . 1 1 54 54 THR CB C 54 65.839 65.839 71.147 -5.308 25910 5938 1 19 . 1 1 54 54 THR H H 54 9.011 9.011 9.086 -0.075 25910 5939 1 19 . 1 1 55 55 VAL N N 55 125.268 125.268 127.632 -2.364 25910 5940 1 19 . 1 1 55 55 VAL HA H 55 4.382 4.382 4.452 -0.070 25910 5941 1 19 . 1 1 55 55 VAL CA C 55 57.834 57.834 60.587 -2.753 25910 5942 1 19 . 1 1 55 55 VAL CB C 55 32.223 32.223 30.349 1.874 25910 5943 1 19 . 1 1 55 55 VAL H H 55 8.122 8.122 8.692 -0.570 25910 5944 1 19 . 1 1 56 56 THR N N 56 125.548 125.548 124.487 1.061 25910 5945 1 19 . 1 1 56 56 THR C C 56 173.901 173.901 173.173 0.728 25910 5946 1 19 . 1 1 56 56 THR CA C 56 61.272 61.272 61.930 -0.658 25910 5947 1 19 . 1 1 56 56 THR H H 56 8.306 8.306 8.066 0.240 25910 5948 1 20 . 1 1 2 2 GLY N N 2 113.750 113.750 109.315 4.435 25910 5949 1 20 . 1 1 2 2 GLY C C 2 176.605 176.605 172.382 4.223 25910 5950 1 20 . 1 1 2 2 GLY CA C 2 44.589 44.589 45.230 -0.641 25910 5951 1 20 . 1 1 2 2 GLY H H 2 8.454 8.454 8.560 -0.106 25910 5952 1 20 . 1 1 3 3 THR N N 3 118.182 118.182 114.577 3.605 25910 5953 1 20 . 1 1 3 3 THR HA H 3 4.594 4.594 4.839 -0.245 25910 5954 1 20 . 1 1 3 3 THR C C 3 173.943 173.943 173.075 0.868 25910 5955 1 20 . 1 1 3 3 THR CA C 3 62.633 62.633 61.703 0.930 25910 5956 1 20 . 1 1 3 3 THR CB C 3 72.413 72.413 71.987 0.426 25910 5957 1 20 . 1 1 3 3 THR H H 3 8.076 8.076 7.875 0.201 25910 5958 1 20 . 1 1 4 4 TYR N N 4 128.256 128.256 123.072 5.184 25910 5959 1 20 . 1 1 4 4 TYR HA H 4 5.271 5.271 4.868 0.403 25910 5960 1 20 . 1 1 4 4 TYR C C 4 174.213 174.213 174.739 -0.526 25910 5961 1 20 . 1 1 4 4 TYR CA C 4 56.625 56.625 57.189 -0.564 25910 5962 1 20 . 1 1 4 4 TYR CB C 4 42.657 42.657 41.715 0.942 25910 5963 1 20 . 1 1 4 4 TYR H H 4 9.273 9.273 9.311 -0.038 25910 5964 1 20 . 1 1 5 5 LYS N N 5 124.678 124.678 125.033 -0.355 25910 5965 1 20 . 1 1 5 5 LYS HA H 5 5.169 5.169 4.775 0.394 25910 5966 1 20 . 1 1 5 5 LYS C C 5 172.616 172.616 175.205 -2.589 25910 5967 1 20 . 1 1 5 5 LYS CA C 5 54.875 54.875 55.942 -1.067 25910 5968 1 20 . 1 1 5 5 LYS CB C 5 28.908 28.908 33.315 -4.407 25910 5969 1 20 . 1 1 5 5 LYS H H 5 9.075 9.075 8.598 0.477 25910 5970 1 20 . 1 1 6 6 LEU N N 6 128.375 128.375 128.720 -0.345 25910 5971 1 20 . 1 1 6 6 LEU HA H 6 4.839 4.839 5.027 -0.188 25910 5972 1 20 . 1 1 6 6 LEU C C 6 174.425 174.425 175.224 -0.799 25910 5973 1 20 . 1 1 6 6 LEU CA C 6 52.459 52.459 53.211 -0.752 25910 5974 1 20 . 1 1 6 6 LEU H H 6 8.541 8.541 8.719 -0.178 25910 5975 1 20 . 1 1 7 7 ILE N N 7 128.123 128.123 128.596 -0.473 25910 5976 1 20 . 1 1 7 7 ILE HA H 7 4.221 4.221 4.495 -0.274 25910 5977 1 20 . 1 1 7 7 ILE C C 7 174.566 174.566 174.203 0.363 25910 5978 1 20 . 1 1 7 7 ILE CA C 7 60.226 60.226 60.283 -0.057 25910 5979 1 20 . 1 1 7 7 ILE CB C 7 37.977 37.977 39.140 -1.163 25910 5980 1 20 . 1 1 7 7 ILE H H 7 9.020 9.020 8.643 0.377 25910 5981 1 20 . 1 1 8 8 LEU N N 8 127.628 127.628 129.419 -1.791 25910 5982 1 20 . 1 1 8 8 LEU HA H 8 4.383 4.383 4.515 -0.132 25910 5983 1 20 . 1 1 8 8 LEU C C 8 174.640 174.640 174.336 0.304 25910 5984 1 20 . 1 1 8 8 LEU CA C 8 54.428 54.428 53.906 0.522 25910 5985 1 20 . 1 1 8 8 LEU CB C 8 42.014 42.014 44.751 -2.737 25910 5986 1 20 . 1 1 8 8 LEU H H 8 8.640 8.640 9.052 -0.412 25910 5987 1 20 . 1 1 9 9 ASN N N 9 128.380 128.380 124.976 3.404 25910 5988 1 20 . 1 1 9 9 ASN HA H 9 5.214 5.214 4.945 0.269 25910 5989 1 20 . 1 1 9 9 ASN C C 9 175.683 175.683 173.812 1.871 25910 5990 1 20 . 1 1 9 9 ASN CA C 9 50.778 50.778 52.317 -1.539 25910 5991 1 20 . 1 1 9 9 ASN CB C 9 37.691 37.691 41.447 -3.756 25910 5992 1 20 . 1 1 9 9 ASN H H 9 8.830 8.830 8.692 0.138 25910 5993 1 20 . 1 1 10 10 GLY N N 10 111.563 111.563 111.836 -0.273 25910 5994 1 20 . 1 1 10 10 GLY C C 10 173.311 173.311 174.040 -0.729 25910 5995 1 20 . 1 1 10 10 GLY CA C 10 44.735 44.735 43.666 1.069 25910 5996 1 20 . 1 1 10 10 GLY H H 10 7.831 7.831 8.489 -0.658 25910 5997 1 20 . 1 1 11 11 LYS N N 11 122.942 122.942 119.680 3.262 25910 5998 1 20 . 1 1 11 11 LYS HA H 11 3.990 3.990 4.252 -0.262 25910 5999 1 20 . 1 1 11 11 LYS C C 11 178.822 178.822 176.564 2.258 25910 6000 1 20 . 1 1 11 11 LYS CA C 11 58.885 58.885 58.380 0.504 25910 6001 1 20 . 1 1 11 11 LYS CB C 11 32.330 32.330 32.100 0.230 25910 6002 1 20 . 1 1 11 11 LYS H H 11 9.419 9.419 8.613 0.806 25910 6003 1 20 . 1 1 12 12 THR N N 12 110.192 110.192 111.491 -1.299 25910 6004 1 20 . 1 1 12 12 THR HA H 12 4.312 4.312 4.293 0.019 25910 6005 1 20 . 1 1 12 12 THR C C 12 173.575 173.575 173.488 0.087 25910 6006 1 20 . 1 1 12 12 THR CA C 12 61.517 61.517 63.162 -1.645 25910 6007 1 20 . 1 1 12 12 THR CB C 12 69.598 69.598 69.881 -0.283 25910 6008 1 20 . 1 1 12 12 THR H H 12 8.743 8.743 8.092 0.651 25910 6009 1 20 . 1 1 13 13 LEU N N 13 127.300 127.300 118.760 8.540 25910 6010 1 20 . 1 1 13 13 LEU HA H 13 4.401 4.401 4.762 -0.361 25910 6011 1 20 . 1 1 13 13 LEU C C 13 173.148 173.148 174.258 -1.110 25910 6012 1 20 . 1 1 13 13 LEU CA C 13 54.953 54.953 53.148 1.805 25910 6013 1 20 . 1 1 13 13 LEU CB C 13 43.166 43.166 44.416 -1.250 25910 6014 1 20 . 1 1 13 13 LEU H H 13 7.273 7.273 7.507 -0.234 25910 6015 1 20 . 1 1 14 14 LYS N N 14 125.544 125.544 119.406 6.138 25910 6016 1 20 . 1 1 14 14 LYS HA H 14 5.097 5.097 5.017 0.080 25910 6017 1 20 . 1 1 14 14 LYS C C 14 176.255 176.255 175.576 0.679 25910 6018 1 20 . 1 1 14 14 LYS CA C 14 53.661 53.661 55.118 -1.457 25910 6019 1 20 . 1 1 14 14 LYS CB C 14 34.743 34.743 36.533 -1.790 25910 6020 1 20 . 1 1 14 14 LYS H H 14 8.062 8.062 8.119 -0.057 25910 6021 1 20 . 1 1 15 15 GLY N N 15 111.144 111.144 107.643 3.501 25910 6022 1 20 . 1 1 15 15 GLY C C 15 171.151 171.151 171.704 -0.553 25910 6023 1 20 . 1 1 15 15 GLY CA C 15 45.006 45.006 45.702 -0.696 25910 6024 1 20 . 1 1 15 15 GLY H H 15 8.349 8.349 8.357 -0.008 25910 6025 1 20 . 1 1 16 16 GLU N N 16 120.581 120.581 121.784 -1.203 25910 6026 1 20 . 1 1 16 16 GLU HA H 16 5.546 5.546 5.484 0.062 25910 6027 1 20 . 1 1 16 16 GLU C C 16 175.034 175.034 175.241 -0.207 25910 6028 1 20 . 1 1 16 16 GLU CA C 16 54.528 54.528 55.075 -0.547 25910 6029 1 20 . 1 1 16 16 GLU CB C 16 33.817 33.817 32.377 1.440 25910 6030 1 20 . 1 1 16 16 GLU H H 16 8.346 8.346 8.472 -0.126 25910 6031 1 20 . 1 1 17 17 THR N N 17 117.658 117.658 117.870 -0.212 25910 6032 1 20 . 1 1 17 17 THR HA H 17 4.622 4.622 4.811 -0.189 25910 6033 1 20 . 1 1 17 17 THR C C 17 171.834 171.834 172.763 -0.929 25910 6034 1 20 . 1 1 17 17 THR CA C 17 60.610 60.610 60.206 0.404 25910 6035 1 20 . 1 1 17 17 THR CB C 17 69.030 69.030 70.779 -1.749 25910 6036 1 20 . 1 1 17 17 THR H H 17 8.636 8.636 8.663 -0.027 25910 6037 1 20 . 1 1 18 18 THR N N 18 113.707 113.707 112.328 1.379 25910 6038 1 20 . 1 1 18 18 THR HA H 18 5.794 5.794 5.422 0.372 25910 6039 1 20 . 1 1 18 18 THR C C 18 173.871 173.871 173.795 0.076 25910 6040 1 20 . 1 1 18 18 THR CA C 18 59.750 59.750 60.681 -0.931 25910 6041 1 20 . 1 1 18 18 THR CB C 18 73.077 73.077 71.819 1.258 25910 6042 1 20 . 1 1 18 18 THR H H 18 7.970 7.970 8.487 -0.517 25910 6043 1 20 . 1 1 19 19 THR N N 19 116.670 116.670 116.985 -0.315 25910 6044 1 20 . 1 1 19 19 THR HA H 19 4.606 4.606 4.687 -0.081 25910 6045 1 20 . 1 1 19 19 THR C C 19 171.009 171.009 172.496 -1.487 25910 6046 1 20 . 1 1 19 19 THR CA C 19 62.179 62.179 61.105 1.073 25910 6047 1 20 . 1 1 19 19 THR CB C 19 70.463 70.463 70.074 0.389 25910 6048 1 20 . 1 1 19 19 THR H H 19 9.018 9.018 8.588 0.430 25910 6049 1 20 . 1 1 20 20 GLU N N 20 126.491 126.491 125.830 0.661 25910 6050 1 20 . 1 1 20 20 GLU HA H 20 5.528 5.528 5.015 0.513 25910 6051 1 20 . 1 1 20 20 GLU C C 20 176.205 176.205 174.694 1.511 25910 6052 1 20 . 1 1 20 20 GLU CA C 20 54.574 54.574 54.923 -0.349 25910 6053 1 20 . 1 1 20 20 GLU CB C 20 30.757 30.757 30.577 0.180 25910 6054 1 20 . 1 1 20 20 GLU H H 20 7.922 7.922 8.609 -0.687 25910 6055 1 20 . 1 1 21 21 ALA N N 21 126.835 126.835 127.033 -0.198 25910 6056 1 20 . 1 1 21 21 ALA HA H 21 4.740 4.740 4.557 0.183 25910 6057 1 20 . 1 1 21 21 ALA C C 21 177.223 177.223 176.686 0.537 25910 6058 1 20 . 1 1 21 21 ALA CA C 21 50.945 50.945 51.028 -0.083 25910 6059 1 20 . 1 1 21 21 ALA CB C 21 23.578 23.578 21.148 2.430 25910 6060 1 20 . 1 1 21 21 ALA H H 21 9.183 9.183 8.374 0.809 25910 6061 1 20 . 1 1 22 22 VAL N N 22 117.316 117.316 119.380 -2.064 25910 6062 1 20 . 1 1 22 22 VAL HA H 22 4.137 4.137 3.988 0.149 25910 6063 1 20 . 1 1 22 22 VAL C C 22 174.432 174.432 175.143 -0.711 25910 6064 1 20 . 1 1 22 22 VAL CA C 22 63.321 63.321 64.025 -0.704 25910 6065 1 20 . 1 1 22 22 VAL CB C 22 32.120 32.120 32.352 -0.232 25910 6066 1 20 . 1 1 22 22 VAL H H 22 8.519 8.519 8.590 -0.071 25910 6067 1 20 . 1 1 23 23 ASP N N 23 116.395 116.395 116.440 -0.045 25910 6068 1 20 . 1 1 23 23 ASP HA H 23 4.580 4.580 4.958 -0.378 25910 6069 1 20 . 1 1 23 23 ASP C C 23 174.391 174.391 175.934 -1.543 25910 6070 1 20 . 1 1 23 23 ASP CA C 23 52.345 52.345 53.352 -1.007 25910 6071 1 20 . 1 1 23 23 ASP CB C 23 42.149 42.149 42.784 -0.635 25910 6072 1 20 . 1 1 23 23 ASP H H 23 7.191 7.191 7.816 -0.625 25910 6073 1 20 . 1 1 24 24 ALA N N 24 123.019 123.019 123.450 -0.431 25910 6074 1 20 . 1 1 24 24 ALA HA H 24 3.349 3.349 3.352 -0.003 25910 6075 1 20 . 1 1 24 24 ALA C C 24 179.001 179.001 178.493 0.508 25910 6076 1 20 . 1 1 24 24 ALA CA C 24 54.346 54.346 55.004 -0.658 25910 6077 1 20 . 1 1 24 24 ALA CB C 24 17.327 17.327 18.518 -1.191 25910 6078 1 20 . 1 1 24 24 ALA H H 24 8.315 8.315 8.720 -0.405 25910 6079 1 20 . 1 1 25 25 ALA N N 25 122.203 122.203 120.644 1.559 25910 6080 1 20 . 1 1 25 25 ALA HA H 25 3.891 3.891 3.965 -0.074 25910 6081 1 20 . 1 1 25 25 ALA C C 25 180.736 180.736 179.671 1.065 25910 6082 1 20 . 1 1 25 25 ALA CA C 25 54.646 54.646 55.005 -0.359 25910 6083 1 20 . 1 1 25 25 ALA CB C 25 17.623 17.623 17.890 -0.267 25910 6084 1 20 . 1 1 25 25 ALA H H 25 7.982 7.982 8.392 -0.410 25910 6085 1 20 . 1 1 26 26 THR N N 26 118.231 118.231 115.619 2.612 25910 6086 1 20 . 1 1 26 26 THR HA H 26 3.973 3.973 3.872 0.101 25910 6087 1 20 . 1 1 26 26 THR C C 26 175.969 175.969 176.356 -0.387 25910 6088 1 20 . 1 1 26 26 THR CA C 26 66.690 66.690 66.486 0.204 25910 6089 1 20 . 1 1 26 26 THR CB C 26 66.977 66.977 68.608 -1.631 25910 6090 1 20 . 1 1 26 26 THR H H 26 8.258 8.258 7.569 0.689 25910 6091 1 20 . 1 1 27 27 ALA N N 27 125.522 125.522 124.450 1.072 25910 6092 1 20 . 1 1 27 27 ALA HA H 27 3.008 3.008 3.944 -0.936 25910 6093 1 20 . 1 1 27 27 ALA C C 27 176.928 176.928 178.980 -2.052 25910 6094 1 20 . 1 1 27 27 ALA CA C 27 54.544 54.544 55.275 -0.731 25910 6095 1 20 . 1 1 27 27 ALA CB C 27 17.299 17.299 17.999 -0.700 25910 6096 1 20 . 1 1 27 27 ALA H H 27 6.992 6.992 7.557 -0.565 25910 6097 1 20 . 1 1 28 28 GLU N N 28 118.584 118.584 118.537 0.047 25910 6098 1 20 . 1 1 28 28 GLU HA H 28 2.575 2.575 3.729 -1.154 25910 6099 1 20 . 1 1 28 28 GLU C C 28 177.127 177.127 178.734 -1.607 25910 6100 1 20 . 1 1 28 28 GLU CA C 28 59.522 59.522 59.407 0.115 25910 6101 1 20 . 1 1 28 28 GLU CB C 28 32.612 32.612 29.372 3.240 25910 6102 1 20 . 1 1 28 28 GLU H H 28 8.284 8.284 8.239 0.045 25910 6103 1 20 . 1 1 29 29 LYS N N 29 118.504 118.504 118.865 -0.361 25910 6104 1 20 . 1 1 29 29 LYS HA H 29 3.654 3.654 3.824 -0.170 25910 6105 1 20 . 1 1 29 29 LYS C C 29 179.844 179.844 179.409 0.435 25910 6106 1 20 . 1 1 29 29 LYS CA C 29 59.589 59.589 59.192 0.397 25910 6107 1 20 . 1 1 29 29 LYS CB C 29 32.200 32.200 32.424 -0.224 25910 6108 1 20 . 1 1 29 29 LYS H H 29 6.861 6.861 8.032 -1.171 25910 6109 1 20 . 1 1 30 30 VAL N N 30 122.501 122.501 118.817 3.684 25910 6110 1 20 . 1 1 30 30 VAL HA H 30 3.550 3.550 3.746 -0.196 25910 6111 1 20 . 1 1 30 30 VAL C C 30 179.643 179.643 178.479 1.164 25910 6112 1 20 . 1 1 30 30 VAL CA C 30 65.870 65.870 65.927 -0.057 25910 6113 1 20 . 1 1 30 30 VAL CB C 30 31.729 31.729 31.563 0.166 25910 6114 1 20 . 1 1 30 30 VAL H H 30 7.203 7.203 8.104 -0.901 25910 6115 1 20 . 1 1 31 31 PHE N N 31 122.601 122.601 119.411 3.190 25910 6116 1 20 . 1 1 31 31 PHE C C 31 178.161 178.161 177.597 0.564 25910 6117 1 20 . 1 1 31 31 PHE CA C 31 55.903 55.903 60.162 -4.259 25910 6118 1 20 . 1 1 31 31 PHE H H 31 8.398 8.398 8.554 -0.156 25910 6119 1 20 . 1 1 32 32 LYS N N 32 124.739 124.739 121.121 3.618 25910 6120 1 20 . 1 1 32 32 LYS HA H 32 4.085 4.085 4.080 0.005 25910 6121 1 20 . 1 1 32 32 LYS C C 32 179.432 179.432 178.568 0.864 25910 6122 1 20 . 1 1 32 32 LYS CA C 32 59.714 59.714 60.429 -0.716 25910 6123 1 20 . 1 1 32 32 LYS CB C 32 31.660 31.660 31.947 -0.287 25910 6124 1 20 . 1 1 32 32 LYS H H 32 9.078 9.078 8.082 0.996 25910 6125 1 20 . 1 1 33 33 GLN N N 33 121.561 121.561 117.880 3.681 25910 6126 1 20 . 1 1 33 33 GLN HA H 33 3.986 3.986 3.997 -0.011 25910 6127 1 20 . 1 1 33 33 GLN C C 33 176.867 176.867 178.279 -1.412 25910 6128 1 20 . 1 1 33 33 GLN CA C 33 58.531 58.531 59.000 -0.469 25910 6129 1 20 . 1 1 33 33 GLN CB C 33 27.914 27.914 28.626 -0.712 25910 6130 1 20 . 1 1 33 33 GLN H H 33 7.325 7.325 7.738 -0.413 25910 6131 1 20 . 1 1 34 34 TYR N N 34 122.729 122.729 120.397 2.332 25910 6132 1 20 . 1 1 34 34 TYR HA H 34 4.206 4.206 4.209 -0.003 25910 6133 1 20 . 1 1 34 34 TYR C C 34 178.875 178.875 177.189 1.686 25910 6134 1 20 . 1 1 34 34 TYR CA C 34 61.673 61.673 60.809 0.864 25910 6135 1 20 . 1 1 34 34 TYR CB C 34 38.779 38.779 38.129 0.650 25910 6136 1 20 . 1 1 34 34 TYR H H 34 8.165 8.165 8.254 -0.089 25910 6137 1 20 . 1 1 35 35 ALA N N 35 124.565 124.565 121.267 3.298 25910 6138 1 20 . 1 1 35 35 ALA HA H 35 3.754 3.754 3.281 0.473 25910 6139 1 20 . 1 1 35 35 ALA C C 35 174.251 174.251 179.437 -5.186 25910 6140 1 20 . 1 1 35 35 ALA CA C 35 56.260 56.260 54.980 1.280 25910 6141 1 20 . 1 1 35 35 ALA CB C 35 17.622 17.622 17.961 -0.339 25910 6142 1 20 . 1 1 35 35 ALA H H 35 9.126 9.126 8.813 0.313 25910 6143 1 20 . 1 1 36 36 ASN N N 36 119.406 119.406 117.338 2.068 25910 6144 1 20 . 1 1 36 36 ASN HA H 36 4.370 4.370 4.528 -0.158 25910 6145 1 20 . 1 1 36 36 ASN C C 36 179.225 179.225 177.098 2.127 25910 6146 1 20 . 1 1 36 36 ASN CA C 36 56.845 56.845 56.197 0.648 25910 6147 1 20 . 1 1 36 36 ASN CB C 36 38.724 38.724 38.794 -0.070 25910 6148 1 20 . 1 1 36 36 ASN H H 36 8.156 8.156 8.433 -0.277 25910 6149 1 20 . 1 1 37 37 ASP N N 37 123.289 123.289 118.977 4.312 25910 6150 1 20 . 1 1 37 37 ASP HA H 37 4.291 4.291 4.421 -0.130 25910 6151 1 20 . 1 1 37 37 ASP C C 37 176.917 176.917 178.340 -1.423 25910 6152 1 20 . 1 1 37 37 ASP CA C 37 56.791 56.791 56.437 0.354 25910 6153 1 20 . 1 1 37 37 ASP CB C 37 41.927 41.927 41.072 0.855 25910 6154 1 20 . 1 1 37 37 ASP H H 37 8.854 8.854 8.257 0.597 25910 6155 1 20 . 1 1 38 38 ASN N N 38 117.154 117.154 116.009 1.145 25910 6156 1 20 . 1 1 38 38 ASN HA H 38 4.528 4.528 4.642 -0.114 25910 6157 1 20 . 1 1 38 38 ASN C C 38 173.809 173.809 175.627 -1.818 25910 6158 1 20 . 1 1 38 38 ASN CA C 38 53.604 53.604 53.030 0.574 25910 6159 1 20 . 1 1 38 38 ASN H H 38 7.302 7.302 7.905 -0.603 25910 6160 1 20 . 1 1 39 39 GLY N N 39 109.931 109.931 106.566 3.365 25910 6161 1 20 . 1 1 39 39 GLY C C 39 177.482 177.482 173.049 4.433 25910 6162 1 20 . 1 1 39 39 GLY CA C 39 46.647 46.647 44.961 1.686 25910 6163 1 20 . 1 1 39 39 GLY H H 39 7.716 7.716 7.565 0.151 25910 6164 1 20 . 1 1 40 40 VAL N N 40 122.793 122.793 119.755 3.038 25910 6165 1 20 . 1 1 40 40 VAL HA H 40 4.099 4.099 4.917 -0.818 25910 6166 1 20 . 1 1 40 40 VAL C C 40 173.752 173.752 174.024 -0.272 25910 6167 1 20 . 1 1 40 40 VAL CA C 40 61.738 61.738 61.038 0.700 25910 6168 1 20 . 1 1 40 40 VAL CB C 40 32.918 32.918 33.985 -1.067 25910 6169 1 20 . 1 1 40 40 VAL H H 40 8.027 8.027 7.843 0.184 25910 6170 1 20 . 1 1 41 41 ASP N N 41 129.935 129.935 127.494 2.441 25910 6171 1 20 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.828 -0.003 25910 6172 1 20 . 1 1 41 41 ASP C C 41 174.270 174.270 174.951 -0.681 25910 6173 1 20 . 1 1 41 41 ASP CA C 41 52.473 52.473 53.718 -1.245 25910 6174 1 20 . 1 1 41 41 ASP CB C 41 42.513 42.513 43.109 -0.596 25910 6175 1 20 . 1 1 41 41 ASP H H 41 8.588 8.588 8.786 -0.198 25910 6176 1 20 . 1 1 42 42 GLY N N 42 109.126 109.126 109.712 -0.586 25910 6177 1 20 . 1 1 42 42 GLY C C 42 171.778 171.778 173.155 -1.377 25910 6178 1 20 . 1 1 42 42 GLY CA C 42 45.243 45.243 44.359 0.884 25910 6179 1 20 . 1 1 42 42 GLY H H 42 7.672 7.672 7.761 -0.089 25910 6180 1 20 . 1 1 43 43 GLU N N 43 122.448 122.448 122.018 0.430 25910 6181 1 20 . 1 1 43 43 GLU HA H 43 4.628 4.628 4.337 0.291 25910 6182 1 20 . 1 1 43 43 GLU C C 43 176.874 176.874 176.283 0.591 25910 6183 1 20 . 1 1 43 43 GLU CA C 43 55.350 55.350 55.866 -0.516 25910 6184 1 20 . 1 1 43 43 GLU CB C 43 31.207 31.207 30.048 1.159 25910 6185 1 20 . 1 1 43 43 GLU H H 43 8.089 8.089 8.247 -0.158 25910 6186 1 20 . 1 1 44 44 TRP N N 44 130.232 130.232 128.790 1.442 25910 6187 1 20 . 1 1 44 44 TRP HA H 44 5.313 5.313 5.048 0.265 25910 6188 1 20 . 1 1 44 44 TRP C C 44 176.867 176.867 176.574 0.293 25910 6189 1 20 . 1 1 44 44 TRP CA C 44 57.688 57.688 56.797 0.890 25910 6190 1 20 . 1 1 44 44 TRP CB C 44 30.268 30.268 29.394 0.874 25910 6191 1 20 . 1 1 44 44 TRP H H 44 9.284 9.284 8.688 0.596 25910 6192 1 20 . 1 1 45 45 THR N N 45 116.544 116.544 121.073 -4.529 25910 6193 1 20 . 1 1 45 45 THR HA H 45 4.626 4.626 4.852 -0.226 25910 6194 1 20 . 1 1 45 45 THR C C 45 172.518 172.518 173.536 -1.018 25910 6195 1 20 . 1 1 45 45 THR CA C 45 60.392 60.392 61.145 -0.753 25910 6196 1 20 . 1 1 45 45 THR CB C 45 72.517 72.517 70.701 1.816 25910 6197 1 20 . 1 1 45 45 THR H H 45 9.192 9.192 9.178 0.014 25910 6198 1 20 . 1 1 46 46 TYR N N 46 122.420 122.420 123.861 -1.441 25910 6199 1 20 . 1 1 46 46 TYR HA H 46 4.375 4.375 4.439 -0.064 25910 6200 1 20 . 1 1 46 46 TYR C C 46 173.077 173.077 174.776 -1.699 25910 6201 1 20 . 1 1 46 46 TYR CA C 46 56.663 56.663 55.216 1.447 25910 6202 1 20 . 1 1 46 46 TYR CB C 46 38.701 38.701 38.551 0.150 25910 6203 1 20 . 1 1 46 46 TYR H H 46 8.512 8.512 8.428 0.084 25910 6204 1 20 . 1 1 47 47 ASP N N 47 130.329 130.329 123.535 6.794 25910 6205 1 20 . 1 1 47 47 ASP HA H 47 4.520 4.520 4.846 -0.326 25910 6206 1 20 . 1 1 47 47 ASP C C 47 174.266 174.266 176.012 -1.746 25910 6207 1 20 . 1 1 47 47 ASP CA C 47 51.864 51.864 52.472 -0.608 25910 6208 1 20 . 1 1 47 47 ASP CB C 47 42.670 42.670 42.248 0.421 25910 6209 1 20 . 1 1 47 47 ASP H H 47 7.613 7.613 8.822 -1.209 25910 6210 1 20 . 1 1 48 48 ASP N N 48 126.699 126.699 126.573 0.126 25910 6211 1 20 . 1 1 48 48 ASP HA H 48 4.019 4.019 4.428 -0.409 25910 6212 1 20 . 1 1 48 48 ASP C C 48 177.981 177.981 177.221 0.760 25910 6213 1 20 . 1 1 48 48 ASP CA C 48 56.198 56.198 56.576 -0.378 25910 6214 1 20 . 1 1 48 48 ASP CB C 48 41.614 41.614 40.711 0.903 25910 6215 1 20 . 1 1 48 48 ASP H H 48 8.422 8.422 8.777 -0.355 25910 6216 1 20 . 1 1 49 49 ALA N N 49 121.819 121.819 121.763 0.056 25910 6217 1 20 . 1 1 49 49 ALA HA H 49 4.021 4.021 4.252 -0.231 25910 6218 1 20 . 1 1 49 49 ALA C C 49 179.522 179.522 178.820 0.702 25910 6219 1 20 . 1 1 49 49 ALA CA C 49 54.829 54.829 54.587 0.242 25910 6220 1 20 . 1 1 49 49 ALA CB C 49 18.168 18.168 18.678 -0.510 25910 6221 1 20 . 1 1 49 49 ALA H H 49 8.202 8.202 7.850 0.352 25910 6222 1 20 . 1 1 50 50 THR N N 50 105.089 105.089 111.322 -6.233 25910 6223 1 20 . 1 1 50 50 THR HA H 50 4.318 4.318 4.294 0.024 25910 6224 1 20 . 1 1 50 50 THR C C 50 174.943 174.943 174.587 0.356 25910 6225 1 20 . 1 1 50 50 THR CA C 50 60.343 60.343 62.569 -2.226 25910 6226 1 20 . 1 1 50 50 THR CB C 50 69.532 69.532 69.529 0.003 25910 6227 1 20 . 1 1 50 50 THR H H 50 6.890 6.890 8.300 -1.410 25910 6228 1 20 . 1 1 51 51 LYS N N 51 125.512 125.512 118.038 7.474 25910 6229 1 20 . 1 1 51 51 LYS HA H 51 4.079 4.079 4.003 0.076 25910 6230 1 20 . 1 1 51 51 LYS C C 51 174.733 174.733 174.833 -0.100 25910 6231 1 20 . 1 1 51 51 LYS CA C 51 57.119 57.119 57.095 0.024 25910 6232 1 20 . 1 1 51 51 LYS CB C 51 33.975 33.975 29.932 4.043 25910 6233 1 20 . 1 1 51 51 LYS H H 51 7.764 7.764 8.114 -0.350 25910 6234 1 20 . 1 1 52 52 THR N N 52 112.742 112.742 109.397 3.345 25910 6235 1 20 . 1 1 52 52 THR HA H 52 5.437 5.437 5.459 -0.022 25910 6236 1 20 . 1 1 52 52 THR C C 52 174.733 174.733 172.823 1.910 25910 6237 1 20 . 1 1 52 52 THR CA C 52 62.078 62.078 60.377 1.702 25910 6238 1 20 . 1 1 52 52 THR CB C 52 63.076 63.076 72.466 -9.389 25910 6239 1 20 . 1 1 52 52 THR H H 52 7.261 7.261 8.211 -0.950 25910 6240 1 20 . 1 1 53 53 PHE N N 53 132.937 132.937 123.161 9.776 25910 6241 1 20 . 1 1 53 53 PHE HA H 53 5.641 5.641 5.279 0.362 25910 6242 1 20 . 1 1 53 53 PHE C C 53 174.377 174.377 173.897 0.480 25910 6243 1 20 . 1 1 53 53 PHE CA C 53 56.995 56.995 56.322 0.673 25910 6244 1 20 . 1 1 53 53 PHE CB C 53 42.679 42.679 41.976 0.703 25910 6245 1 20 . 1 1 53 53 PHE H H 53 10.363 10.363 9.302 1.061 25910 6246 1 20 . 1 1 54 54 THR N N 54 119.069 119.069 123.701 -4.632 25910 6247 1 20 . 1 1 54 54 THR HA H 54 5.140 5.140 5.226 -0.086 25910 6248 1 20 . 1 1 54 54 THR C C 54 172.417 172.417 173.536 -1.119 25910 6249 1 20 . 1 1 54 54 THR CA C 54 61.408 61.408 61.297 0.111 25910 6250 1 20 . 1 1 54 54 THR CB C 54 65.839 65.839 70.764 -4.925 25910 6251 1 20 . 1 1 54 54 THR H H 54 9.011 9.011 8.970 0.041 25910 6252 1 20 . 1 1 55 55 VAL N N 55 125.268 125.268 127.813 -2.545 25910 6253 1 20 . 1 1 55 55 VAL HA H 55 4.382 4.382 4.324 0.058 25910 6254 1 20 . 1 1 55 55 VAL CA C 55 57.834 57.834 60.420 -2.586 25910 6255 1 20 . 1 1 55 55 VAL CB C 55 32.223 32.223 29.939 2.284 25910 6256 1 20 . 1 1 55 55 VAL H H 55 8.122 8.122 8.685 -0.563 25910 6257 1 20 . 1 1 56 56 THR N N 56 125.548 125.548 124.468 1.080 25910 6258 1 20 . 1 1 56 56 THR C C 56 173.901 173.901 173.784 0.117 25910 6259 1 20 . 1 1 56 56 THR CA C 56 61.272 61.272 62.102 -0.830 25910 6260 1 20 . 1 1 56 56 THR H H 56 8.306 8.306 8.557 -0.251 25910 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 55 3.505 -1.436 3.227 25910 2 1 1 "Average Difference" HA 58 0.341 0.075 0.336 25910 3 1 1 "Average Difference" C 54 1.551 0.078 1.563 25910 4 1 1 "Average Difference" CA 55 1.254 0.200 1.250 25910 5 1 1 "Average Difference" CB 46 2.042 0.290 2.044 25910 6 1 1 "Average Difference" HN 55 0.504 0.091 0.500 25910 7 1 2 "Average Difference" N 55 3.499 -1.314 3.273 25910 8 1 2 "Average Difference" HA 58 0.364 0.044 0.365 25910 9 1 2 "Average Difference" C 54 1.473 0.052 1.486 25910 10 1 2 "Average Difference" CA 55 1.233 0.261 1.216 25910 11 1 2 "Average Difference" CB 46 2.205 0.347 2.202 25910 12 1 2 "Average Difference" HN 55 0.524 0.051 0.526 25910 13 1 3 "Average Difference" N 55 3.334 -1.770 2.851 25910 14 1 3 "Average Difference" HA 58 0.301 0.089 0.290 25910 15 1 3 "Average Difference" C 54 1.525 0.108 1.535 25910 16 1 3 "Average Difference" CA 55 1.141 0.111 1.146 25910 17 1 3 "Average Difference" CB 46 2.055 0.370 2.044 25910 18 1 3 "Average Difference" HN 55 0.511 0.036 0.514 25910 19 1 4 "Average Difference" N 55 3.651 -1.425 3.392 25910 20 1 4 "Average Difference" HA 58 0.384 0.034 0.386 25910 21 1 4 "Average Difference" C 54 1.490 0.063 1.502 25910 22 1 4 "Average Difference" CA 55 1.191 0.244 1.176 25910 23 1 4 "Average Difference" CB 46 2.383 0.312 2.388 25910 24 1 4 "Average Difference" HN 55 0.534 0.033 0.538 25910 25 1 5 "Average Difference" N 55 3.834 -1.753 3.441 25910 26 1 5 "Average Difference" HA 58 0.362 0.047 0.362 25910 27 1 5 "Average Difference" C 54 1.506 0.016 1.521 25910 28 1 5 "Average Difference" CA 55 1.156 0.200 1.149 25910 29 1 5 "Average Difference" CB 46 2.276 0.425 2.260 25910 30 1 5 "Average Difference" HN 55 0.536 0.025 0.541 25910 31 1 6 "Average Difference" N 55 3.530 -1.547 3.203 25910 32 1 6 "Average Difference" HA 58 0.330 0.075 0.325 25910 33 1 6 "Average Difference" C 54 1.461 0.031 1.475 25910 34 1 6 "Average Difference" CA 55 1.242 0.182 1.240 25910 35 1 6 "Average Difference" CB 46 2.188 0.484 2.157 25910 36 1 6 "Average Difference" HN 55 0.562 0.123 0.553 25910 37 1 7 "Average Difference" N 55 3.361 -1.661 2.948 25910 38 1 7 "Average Difference" HA 58 0.325 0.070 0.320 25910 39 1 7 "Average Difference" C 54 1.486 0.057 1.499 25910 40 1 7 "Average Difference" CA 55 1.258 0.183 1.257 25910 41 1 7 "Average Difference" CB 46 2.013 0.353 2.003 25910 42 1 7 "Average Difference" HN 55 0.490 0.051 0.492 25910 43 1 8 "Average Difference" N 55 3.608 -1.660 3.233 25910 44 1 8 "Average Difference" HA 58 0.340 0.032 0.342 25910 45 1 8 "Average Difference" C 54 1.552 -0.030 1.567 25910 46 1 8 "Average Difference" CA 55 1.221 0.188 1.218 25910 47 1 8 "Average Difference" CB 46 2.201 0.455 2.177 25910 48 1 8 "Average Difference" HN 55 0.539 0.006 0.544 25910 49 1 9 "Average Difference" N 55 3.438 -1.350 3.191 25910 50 1 9 "Average Difference" HA 58 0.350 0.050 0.349 25910 51 1 9 "Average Difference" C 54 1.503 0.102 1.513 25910 52 1 9 "Average Difference" CA 55 1.155 0.182 1.151 25910 53 1 9 "Average Difference" CB 46 2.169 0.289 2.174 25910 54 1 9 "Average Difference" HN 55 0.566 0.054 0.568 25910 55 1 10 "Average Difference" N 55 3.656 -1.459 3.384 25910 56 1 10 "Average Difference" HA 58 0.366 0.068 0.363 25910 57 1 10 "Average Difference" C 54 1.562 -0.006 1.577 25910 58 1 10 "Average Difference" CA 55 1.260 0.147 1.263 25910 59 1 10 "Average Difference" CB 46 2.353 0.366 2.350 25910 60 1 10 "Average Difference" HN 55 0.555 0.029 0.559 25910 61 1 11 "Average Difference" N 55 3.703 -1.529 3.403 25910 62 1 11 "Average Difference" HA 58 0.408 0.066 0.406 25910 63 1 11 "Average Difference" C 54 1.519 0.017 1.533 25910 64 1 11 "Average Difference" CA 55 1.240 0.213 1.233 25910 65 1 11 "Average Difference" CB 46 2.372 0.325 2.375 25910 66 1 11 "Average Difference" HN 55 0.568 0.036 0.572 25910 67 1 12 "Average Difference" N 55 3.201 -1.589 2.804 25910 68 1 12 "Average Difference" HA 58 0.362 0.053 0.361 25910 69 1 12 "Average Difference" C 54 1.506 0.090 1.518 25910 70 1 12 "Average Difference" CA 55 1.104 0.218 1.092 25910 71 1 12 "Average Difference" CB 46 1.989 0.283 1.990 25910 72 1 12 "Average Difference" HN 55 0.549 0.037 0.553 25910 73 1 13 "Average Difference" N 55 3.265 -1.488 2.933 25910 74 1 13 "Average Difference" HA 58 0.356 0.067 0.353 25910 75 1 13 "Average Difference" C 54 1.595 0.070 1.609 25910 76 1 13 "Average Difference" CA 55 1.204 0.207 1.197 25910 77 1 13 "Average Difference" CB 46 2.140 0.293 2.143 25910 78 1 13 "Average Difference" HN 55 0.567 0.088 0.565 25910 79 1 14 "Average Difference" N 55 3.411 -1.499 3.092 25910 80 1 14 "Average Difference" HA 58 0.295 0.044 0.294 25910 81 1 14 "Average Difference" C 54 1.381 0.064 1.392 25910 82 1 14 "Average Difference" CA 55 1.085 0.129 1.087 25910 83 1 14 "Average Difference" CB 46 2.059 0.372 2.047 25910 84 1 14 "Average Difference" HN 55 0.457 0.028 0.460 25910 85 1 15 "Average Difference" N 55 3.647 -1.673 3.271 25910 86 1 15 "Average Difference" HA 58 0.326 0.054 0.324 25910 87 1 15 "Average Difference" C 54 1.500 0.125 1.508 25910 88 1 15 "Average Difference" CA 55 1.193 0.143 1.195 25910 89 1 15 "Average Difference" CB 46 2.171 0.300 2.174 25910 90 1 15 "Average Difference" HN 55 0.594 0.039 0.599 25910 91 1 16 "Average Difference" N 55 3.575 -1.752 3.145 25910 92 1 16 "Average Difference" HA 58 0.375 -0.001 0.378 25910 93 1 16 "Average Difference" C 54 1.546 0.081 1.558 25910 94 1 16 "Average Difference" CA 55 1.224 0.237 1.212 25910 95 1 16 "Average Difference" CB 46 2.185 0.347 2.181 25910 96 1 16 "Average Difference" HN 55 0.591 -0.000 0.597 25910 97 1 17 "Average Difference" N 55 3.473 -1.551 3.136 25910 98 1 17 "Average Difference" HA 58 0.339 0.067 0.335 25910 99 1 17 "Average Difference" C 54 1.551 0.039 1.565 25910 100 1 17 "Average Difference" CA 55 1.134 0.106 1.140 25910 101 1 17 "Average Difference" CB 46 2.284 0.397 2.274 25910 102 1 17 "Average Difference" HN 55 0.561 0.041 0.565 25910 103 1 18 "Average Difference" N 55 3.636 -1.430 3.374 25910 104 1 18 "Average Difference" HA 58 0.337 0.050 0.336 25910 105 1 18 "Average Difference" C 54 1.581 0.077 1.594 25910 106 1 18 "Average Difference" CA 55 1.203 0.061 1.213 25910 107 1 18 "Average Difference" CB 46 2.211 0.254 2.221 25910 108 1 18 "Average Difference" HN 55 0.512 0.038 0.515 25910 109 1 19 "Average Difference" N 55 3.611 -1.636 3.249 25910 110 1 19 "Average Difference" HA 58 0.372 0.040 0.374 25910 111 1 19 "Average Difference" C 54 1.507 0.099 1.518 25910 112 1 19 "Average Difference" CA 55 1.282 0.198 1.279 25910 113 1 19 "Average Difference" CB 46 2.233 0.390 2.223 25910 114 1 19 "Average Difference" HN 55 0.536 0.094 0.533 25910 115 1 20 "Average Difference" N 55 3.433 -1.505 3.115 25910 116 1 20 "Average Difference" HA 58 0.336 0.076 0.330 25910 117 1 20 "Average Difference" C 54 1.578 0.042 1.593 25910 118 1 20 "Average Difference" CA 55 1.121 0.170 1.118 25910 119 1 20 "Average Difference" CB 46 2.194 0.334 2.192 25910 120 1 20 "Average Difference" HN 55 0.545 0.095 0.541 25910 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 25910 _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 GLY N N 2 113.750 113.750 109.932 3.818 25910 2 1 . 1 1 2 2 GLY C C 2 176.605 176.605 172.730 3.875 25910 3 1 . 1 1 2 2 GLY CA C 2 44.589 44.589 45.102 -0.513 25910 4 1 . 1 1 2 2 GLY H H 2 8.454 8.454 8.604 -0.151 25910 5 1 . 1 1 3 3 THR N N 3 118.182 118.182 117.879 0.303 25910 6 1 . 1 1 3 3 THR HA H 3 4.594 4.594 4.622 -0.028 25910 7 1 . 1 1 3 3 THR C C 3 173.943 173.943 173.524 0.419 25910 8 1 . 1 1 3 3 THR CA C 3 62.633 62.633 62.203 0.430 25910 9 1 . 1 1 3 3 THR CB C 3 72.413 72.413 69.738 2.675 25910 10 1 . 1 1 3 3 THR H H 3 8.076 8.076 8.107 -0.031 25910 11 1 . 1 1 4 4 TYR N N 4 128.256 128.256 126.858 1.398 25910 12 1 . 1 1 4 4 TYR HA H 4 5.271 5.271 4.777 0.494 25910 13 1 . 1 1 4 4 TYR C C 4 174.213 174.213 175.329 -1.116 25910 14 1 . 1 1 4 4 TYR CA C 4 56.625 56.625 57.685 -1.060 25910 15 1 . 1 1 4 4 TYR CB C 4 42.657 42.657 39.864 2.793 25910 16 1 . 1 1 4 4 TYR H H 4 9.273 9.273 8.777 0.496 25910 17 1 . 1 1 5 5 LYS N N 5 124.678 124.678 124.897 -0.219 25910 18 1 . 1 1 5 5 LYS HA H 5 5.169 5.169 4.624 0.545 25910 19 1 . 1 1 5 5 LYS C C 5 172.616 172.616 175.018 -2.402 25910 20 1 . 1 1 5 5 LYS CA C 5 54.875 54.875 56.040 -1.165 25910 21 1 . 1 1 5 5 LYS CB C 5 28.908 28.908 33.303 -4.395 25910 22 1 . 1 1 5 5 LYS H H 5 9.075 9.075 8.788 0.287 25910 23 1 . 1 1 6 6 LEU N N 6 128.375 128.375 127.796 0.579 25910 24 1 . 1 1 6 6 LEU HA H 6 4.839 4.839 4.953 -0.114 25910 25 1 . 1 1 6 6 LEU C C 6 174.425 174.425 175.080 -0.655 25910 26 1 . 1 1 6 6 LEU CA C 6 52.459 52.459 53.395 -0.936 25910 27 1 . 1 1 6 6 LEU H H 6 8.541 8.541 8.490 0.051 25910 28 1 . 1 1 7 7 ILE N N 7 128.123 128.123 127.623 0.500 25910 29 1 . 1 1 7 7 ILE HA H 7 4.221 4.221 4.585 -0.364 25910 30 1 . 1 1 7 7 ILE C C 7 174.566 174.566 174.173 0.393 25910 31 1 . 1 1 7 7 ILE CA C 7 60.226 60.226 59.970 0.257 25910 32 1 . 1 1 7 7 ILE CB C 7 37.977 37.977 40.085 -2.107 25910 33 1 . 1 1 7 7 ILE H H 7 9.020 9.020 8.953 0.067 25910 34 1 . 1 1 8 8 LEU N N 8 127.628 127.628 128.663 -1.035 25910 35 1 . 1 1 8 8 LEU HA H 8 4.383 4.383 4.383 0.000 25910 36 1 . 1 1 8 8 LEU C C 8 174.640 174.640 174.942 -0.302 25910 37 1 . 1 1 8 8 LEU CA C 8 54.428 54.428 54.302 0.126 25910 38 1 . 1 1 8 8 LEU CB C 8 42.014 42.014 43.098 -1.084 25910 39 1 . 1 1 8 8 LEU H H 8 8.640 8.640 8.869 -0.229 25910 40 1 . 1 1 9 9 ASN N N 9 128.380 128.380 124.698 3.682 25910 41 1 . 1 1 9 9 ASN HA H 9 5.214 5.214 4.958 0.256 25910 42 1 . 1 1 9 9 ASN C C 9 175.683 175.683 174.247 1.436 25910 43 1 . 1 1 9 9 ASN CA C 9 50.778 50.778 52.044 -1.266 25910 44 1 . 1 1 9 9 ASN CB C 9 37.691 37.691 40.422 -2.731 25910 45 1 . 1 1 9 9 ASN H H 9 8.830 8.830 8.749 0.081 25910 46 1 . 1 1 10 10 GLY N N 10 111.563 111.563 110.032 1.531 25910 47 1 . 1 1 10 10 GLY C C 10 173.311 173.311 174.315 -1.004 25910 48 1 . 1 1 10 10 GLY CA C 10 44.735 44.735 43.940 0.795 25910 49 1 . 1 1 10 10 GLY H H 10 7.831 7.831 8.079 -0.248 25910 50 1 . 1 1 11 11 LYS N N 11 122.942 122.942 119.583 3.359 25910 51 1 . 1 1 11 11 LYS HA H 11 3.990 3.990 4.236 -0.246 25910 52 1 . 1 1 11 11 LYS C C 11 178.822 178.822 176.662 2.160 25910 53 1 . 1 1 11 11 LYS CA C 11 58.885 58.885 58.024 0.860 25910 54 1 . 1 1 11 11 LYS CB C 11 32.330 32.330 32.290 0.040 25910 55 1 . 1 1 11 11 LYS H H 11 9.419 9.419 8.631 0.788 25910 56 1 . 1 1 12 12 THR N N 12 110.192 110.192 111.909 -1.717 25910 57 1 . 1 1 12 12 THR HA H 12 4.312 4.312 4.330 -0.018 25910 58 1 . 1 1 12 12 THR C C 12 173.575 173.575 173.573 0.002 25910 59 1 . 1 1 12 12 THR CA C 12 61.517 61.517 62.831 -1.314 25910 60 1 . 1 1 12 12 THR CB C 12 69.598 69.598 69.935 -0.337 25910 61 1 . 1 1 12 12 THR H H 12 8.743 8.743 8.159 0.584 25910 62 1 . 1 1 13 13 LEU N N 13 127.300 127.300 119.164 8.136 25910 63 1 . 1 1 13 13 LEU HA H 13 4.401 4.401 4.907 -0.507 25910 64 1 . 1 1 13 13 LEU C C 13 173.148 173.148 174.341 -1.193 25910 65 1 . 1 1 13 13 LEU CA C 13 54.953 54.953 53.251 1.702 25910 66 1 . 1 1 13 13 LEU CB C 13 43.166 43.166 44.473 -1.307 25910 67 1 . 1 1 13 13 LEU H H 13 7.273 7.273 7.553 -0.280 25910 68 1 . 1 1 14 14 LYS N N 14 125.544 125.544 118.900 6.644 25910 69 1 . 1 1 14 14 LYS HA H 14 5.097 5.097 5.007 0.090 25910 70 1 . 1 1 14 14 LYS C C 14 176.255 176.255 175.385 0.870 25910 71 1 . 1 1 14 14 LYS CA C 14 53.661 53.661 54.896 -1.235 25910 72 1 . 1 1 14 14 LYS CB C 14 34.743 34.743 36.374 -1.631 25910 73 1 . 1 1 14 14 LYS H H 14 8.062 8.062 8.247 -0.185 25910 74 1 . 1 1 15 15 GLY N N 15 111.144 111.144 107.534 3.610 25910 75 1 . 1 1 15 15 GLY C C 15 171.151 171.151 172.030 -0.879 25910 76 1 . 1 1 15 15 GLY CA C 15 45.006 45.006 45.421 -0.415 25910 77 1 . 1 1 15 15 GLY H H 15 8.349 8.349 8.330 0.018 25910 78 1 . 1 1 16 16 GLU N N 16 120.581 120.581 121.948 -1.367 25910 79 1 . 1 1 16 16 GLU HA H 16 5.546 5.546 5.354 0.192 25910 80 1 . 1 1 16 16 GLU C C 16 175.034 175.034 175.041 -0.007 25910 81 1 . 1 1 16 16 GLU CA C 16 54.528 54.528 55.206 -0.678 25910 82 1 . 1 1 16 16 GLU CB C 16 33.817 33.817 32.481 1.336 25910 83 1 . 1 1 16 16 GLU H H 16 8.346 8.346 8.548 -0.202 25910 84 1 . 1 1 17 17 THR N N 17 117.658 117.658 118.003 -0.345 25910 85 1 . 1 1 17 17 THR HA H 17 4.622 4.622 4.777 -0.155 25910 86 1 . 1 1 17 17 THR C C 17 171.834 171.834 172.724 -0.890 25910 87 1 . 1 1 17 17 THR CA C 17 60.610 60.610 60.288 0.322 25910 88 1 . 1 1 17 17 THR CB C 17 69.030 69.030 71.120 -2.090 25910 89 1 . 1 1 17 17 THR H H 17 8.636 8.636 8.776 -0.140 25910 90 1 . 1 1 18 18 THR N N 18 113.707 113.707 113.743 -0.036 25910 91 1 . 1 1 18 18 THR HA H 18 5.794 5.794 5.159 0.635 25910 92 1 . 1 1 18 18 THR C C 18 173.871 173.871 173.716 0.155 25910 93 1 . 1 1 18 18 THR CA C 18 59.750 59.750 61.251 -1.501 25910 94 1 . 1 1 18 18 THR CB C 18 73.077 73.077 71.238 1.839 25910 95 1 . 1 1 18 18 THR H H 18 7.970 7.970 8.447 -0.477 25910 96 1 . 1 1 19 19 THR N N 19 116.670 116.670 120.156 -3.486 25910 97 1 . 1 1 19 19 THR HA H 19 4.606 4.606 4.736 -0.130 25910 98 1 . 1 1 19 19 THR C C 19 171.009 171.009 172.831 -1.822 25910 99 1 . 1 1 19 19 THR CA C 19 62.179 62.179 61.699 0.480 25910 100 1 . 1 1 19 19 THR CB C 19 70.463 70.463 71.326 -0.863 25910 101 1 . 1 1 19 19 THR H H 19 9.018 9.018 8.601 0.417 25910 102 1 . 1 1 20 20 GLU N N 20 126.491 126.491 124.514 1.977 25910 103 1 . 1 1 20 20 GLU HA H 20 5.528 5.528 5.107 0.421 25910 104 1 . 1 1 20 20 GLU C C 20 176.205 176.205 175.242 0.963 25910 105 1 . 1 1 20 20 GLU CA C 20 54.574 54.574 55.147 -0.573 25910 106 1 . 1 1 20 20 GLU CB C 20 30.757 30.757 31.180 -0.423 25910 107 1 . 1 1 20 20 GLU H H 20 7.922 7.922 8.564 -0.642 25910 108 1 . 1 1 21 21 ALA N N 21 126.835 126.835 125.662 1.173 25910 109 1 . 1 1 21 21 ALA HA H 21 4.740 4.740 4.661 0.079 25910 110 1 . 1 1 21 21 ALA C C 21 177.223 177.223 176.080 1.143 25910 111 1 . 1 1 21 21 ALA CA C 21 50.945 50.945 51.363 -0.418 25910 112 1 . 1 1 21 21 ALA CB C 21 23.578 23.578 21.673 1.905 25910 113 1 . 1 1 21 21 ALA H H 21 9.183 9.183 8.626 0.557 25910 114 1 . 1 1 22 22 VAL N N 22 117.316 117.316 118.731 -1.415 25910 115 1 . 1 1 22 22 VAL HA H 22 4.137 4.137 4.032 0.105 25910 116 1 . 1 1 22 22 VAL C C 22 174.432 174.432 175.016 -0.584 25910 117 1 . 1 1 22 22 VAL CA C 22 63.321 63.321 64.091 -0.770 25910 118 1 . 1 1 22 22 VAL CB C 22 32.120 32.120 32.318 -0.198 25910 119 1 . 1 1 22 22 VAL H H 22 8.519 8.519 8.578 -0.059 25910 120 1 . 1 1 23 23 ASP N N 23 116.395 116.395 115.673 0.722 25910 121 1 . 1 1 23 23 ASP HA H 23 4.580 4.580 4.910 -0.330 25910 122 1 . 1 1 23 23 ASP C C 23 174.391 174.391 175.721 -1.330 25910 123 1 . 1 1 23 23 ASP CA C 23 52.345 52.345 53.354 -1.009 25910 124 1 . 1 1 23 23 ASP CB C 23 42.149 42.149 43.065 -0.916 25910 125 1 . 1 1 23 23 ASP H H 23 7.191 7.191 7.686 -0.495 25910 126 1 . 1 1 24 24 ALA N N 24 123.019 123.019 123.692 -0.673 25910 127 1 . 1 1 24 24 ALA HA H 24 3.349 3.349 3.408 -0.059 25910 128 1 . 1 1 24 24 ALA C C 24 179.001 179.001 178.386 0.615 25910 129 1 . 1 1 24 24 ALA CA C 24 54.346 54.346 55.116 -0.770 25910 130 1 . 1 1 24 24 ALA CB C 24 17.327 17.327 18.446 -1.119 25910 131 1 . 1 1 24 24 ALA H H 24 8.315 8.315 8.626 -0.311 25910 132 1 . 1 1 25 25 ALA N N 25 122.203 122.203 120.326 1.877 25910 133 1 . 1 1 25 25 ALA HA H 25 3.891 3.891 4.050 -0.159 25910 134 1 . 1 1 25 25 ALA C C 25 180.736 180.736 179.492 1.244 25910 135 1 . 1 1 25 25 ALA CA C 25 54.646 54.646 54.920 -0.274 25910 136 1 . 1 1 25 25 ALA CB C 25 17.623 17.623 17.849 -0.226 25910 137 1 . 1 1 25 25 ALA H H 25 7.982 7.982 8.379 -0.397 25910 138 1 . 1 1 26 26 THR N N 26 118.231 118.231 115.272 2.959 25910 139 1 . 1 1 26 26 THR HA H 26 3.973 3.973 3.935 0.038 25910 140 1 . 1 1 26 26 THR C C 26 175.969 175.969 176.283 -0.314 25910 141 1 . 1 1 26 26 THR CA C 26 66.690 66.690 66.214 0.476 25910 142 1 . 1 1 26 26 THR CB C 26 66.977 66.977 68.545 -1.568 25910 143 1 . 1 1 26 26 THR H H 26 8.258 8.258 7.579 0.679 25910 144 1 . 1 1 27 27 ALA N N 27 125.522 125.522 124.305 1.217 25910 145 1 . 1 1 27 27 ALA HA H 27 3.008 3.008 3.829 -0.822 25910 146 1 . 1 1 27 27 ALA C C 27 176.928 176.928 178.875 -1.947 25910 147 1 . 1 1 27 27 ALA CA C 27 54.544 54.544 55.304 -0.760 25910 148 1 . 1 1 27 27 ALA CB C 27 17.299 17.299 17.905 -0.606 25910 149 1 . 1 1 27 27 ALA H H 27 6.992 6.992 7.594 -0.602 25910 150 1 . 1 1 28 28 GLU N N 28 118.584 118.584 118.580 0.004 25910 151 1 . 1 1 28 28 GLU HA H 28 2.575 2.575 3.680 -1.105 25910 152 1 . 1 1 28 28 GLU C C 28 177.127 177.127 178.653 -1.526 25910 153 1 . 1 1 28 28 GLU CA C 28 59.522 59.522 59.494 0.028 25910 154 1 . 1 1 28 28 GLU CB C 28 32.612 32.612 29.453 3.159 25910 155 1 . 1 1 28 28 GLU H H 28 8.284 8.284 8.381 -0.097 25910 156 1 . 1 1 29 29 LYS N N 29 118.504 118.504 118.528 -0.024 25910 157 1 . 1 1 29 29 LYS HA H 29 3.654 3.654 3.883 -0.229 25910 158 1 . 1 1 29 29 LYS C C 29 179.844 179.844 179.349 0.495 25910 159 1 . 1 1 29 29 LYS CA C 29 59.589 59.589 58.977 0.612 25910 160 1 . 1 1 29 29 LYS CB C 29 32.200 32.200 32.436 -0.236 25910 161 1 . 1 1 29 29 LYS H H 29 6.861 6.861 7.672 -0.811 25910 162 1 . 1 1 30 30 VAL N N 30 122.501 122.501 119.653 2.848 25910 163 1 . 1 1 30 30 VAL HA H 30 3.550 3.550 3.671 -0.121 25910 164 1 . 1 1 30 30 VAL C C 30 179.643 179.643 178.471 1.172 25910 165 1 . 1 1 30 30 VAL CA C 30 65.870 65.870 66.054 -0.184 25910 166 1 . 1 1 30 30 VAL CB C 30 31.729 31.729 31.740 -0.011 25910 167 1 . 1 1 30 30 VAL H H 30 7.203 7.203 7.853 -0.650 25910 168 1 . 1 1 31 31 PHE N N 31 122.601 122.601 118.212 4.389 25910 169 1 . 1 1 31 31 PHE C C 31 178.161 178.161 177.480 0.681 25910 170 1 . 1 1 31 31 PHE CA C 31 55.903 55.903 60.054 -4.151 25910 171 1 . 1 1 31 31 PHE H H 31 8.398 8.398 8.518 -0.120 25910 172 1 . 1 1 32 32 LYS N N 32 124.739 124.739 120.756 3.983 25910 173 1 . 1 1 32 32 LYS HA H 32 4.085 4.085 3.974 0.112 25910 174 1 . 1 1 32 32 LYS C C 32 179.432 179.432 178.579 0.853 25910 175 1 . 1 1 32 32 LYS CA C 32 59.714 59.714 60.202 -0.488 25910 176 1 . 1 1 32 32 LYS CB C 32 31.660 31.660 31.937 -0.277 25910 177 1 . 1 1 32 32 LYS H H 32 9.078 9.078 7.898 1.180 25910 178 1 . 1 1 33 33 GLN N N 33 121.561 121.561 117.994 3.567 25910 179 1 . 1 1 33 33 GLN HA H 33 3.986 3.986 4.009 -0.023 25910 180 1 . 1 1 33 33 GLN C C 33 176.867 176.867 178.350 -1.483 25910 181 1 . 1 1 33 33 GLN CA C 33 58.531 58.531 59.000 -0.469 25910 182 1 . 1 1 33 33 GLN CB C 33 27.914 27.914 28.638 -0.724 25910 183 1 . 1 1 33 33 GLN H H 33 7.325 7.325 7.788 -0.463 25910 184 1 . 1 1 34 34 TYR N N 34 122.729 122.729 120.455 2.274 25910 185 1 . 1 1 34 34 TYR HA H 34 4.206 4.206 4.177 0.029 25910 186 1 . 1 1 34 34 TYR C C 34 178.875 178.875 177.147 1.728 25910 187 1 . 1 1 34 34 TYR CA C 34 61.673 61.673 60.709 0.964 25910 188 1 . 1 1 34 34 TYR CB C 34 38.779 38.779 38.162 0.618 25910 189 1 . 1 1 34 34 TYR H H 34 8.165 8.165 8.101 0.064 25910 190 1 . 1 1 35 35 ALA N N 35 124.565 124.565 121.096 3.469 25910 191 1 . 1 1 35 35 ALA HA H 35 3.754 3.754 3.470 0.284 25910 192 1 . 1 1 35 35 ALA C C 35 174.251 174.251 179.548 -5.297 25910 193 1 . 1 1 35 35 ALA CA C 35 56.260 56.260 55.082 1.178 25910 194 1 . 1 1 35 35 ALA CB C 35 17.622 17.622 18.117 -0.495 25910 195 1 . 1 1 35 35 ALA H H 35 9.126 9.126 8.582 0.544 25910 196 1 . 1 1 36 36 ASN N N 36 119.406 119.406 116.985 2.421 25910 197 1 . 1 1 36 36 ASN HA H 36 4.370 4.370 4.550 -0.180 25910 198 1 . 1 1 36 36 ASN C C 36 179.225 179.225 177.763 1.462 25910 199 1 . 1 1 36 36 ASN CA C 36 56.845 56.845 55.697 1.148 25910 200 1 . 1 1 36 36 ASN CB C 36 38.724 38.724 38.730 -0.006 25910 201 1 . 1 1 36 36 ASN H H 36 8.156 8.156 8.250 -0.094 25910 202 1 . 1 1 37 37 ASP N N 37 123.289 123.289 119.664 3.625 25910 203 1 . 1 1 37 37 ASP HA H 37 4.291 4.291 4.480 -0.189 25910 204 1 . 1 1 37 37 ASP C C 37 176.917 176.917 177.757 -0.840 25910 205 1 . 1 1 37 37 ASP CA C 37 56.791 56.791 56.265 0.526 25910 206 1 . 1 1 37 37 ASP CB C 37 41.927 41.927 41.092 0.835 25910 207 1 . 1 1 37 37 ASP H H 37 8.854 8.854 8.310 0.544 25910 208 1 . 1 1 38 38 ASN N N 38 117.154 117.154 116.216 0.938 25910 209 1 . 1 1 38 38 ASN HA H 38 4.528 4.528 4.729 -0.201 25910 210 1 . 1 1 38 38 ASN C C 38 173.809 173.809 175.466 -1.657 25910 211 1 . 1 1 38 38 ASN CA C 38 53.604 53.604 52.398 1.206 25910 212 1 . 1 1 38 38 ASN H H 38 7.302 7.302 7.735 -0.433 25910 213 1 . 1 1 39 39 GLY N N 39 109.931 109.931 107.707 2.224 25910 214 1 . 1 1 39 39 GLY C C 39 177.482 177.482 173.447 4.035 25910 215 1 . 1 1 39 39 GLY CA C 39 46.647 46.647 45.319 1.328 25910 216 1 . 1 1 39 39 GLY H H 39 7.716 7.716 7.614 0.102 25910 217 1 . 1 1 40 40 VAL N N 40 122.793 122.793 119.453 3.340 25910 218 1 . 1 1 40 40 VAL HA H 40 4.099 4.099 4.590 -0.491 25910 219 1 . 1 1 40 40 VAL C C 40 173.752 173.752 173.978 -0.226 25910 220 1 . 1 1 40 40 VAL CA C 40 61.738 61.738 60.802 0.936 25910 221 1 . 1 1 40 40 VAL CB C 40 32.918 32.918 34.211 -1.293 25910 222 1 . 1 1 40 40 VAL H H 40 8.027 8.027 7.831 0.196 25910 223 1 . 1 1 41 41 ASP N N 41 129.935 129.935 126.011 3.924 25910 224 1 . 1 1 41 41 ASP HA H 41 4.825 4.825 4.856 -0.031 25910 225 1 . 1 1 41 41 ASP C C 41 174.270 174.270 174.869 -0.599 25910 226 1 . 1 1 41 41 ASP CA C 41 52.473 52.473 53.617 -1.143 25910 227 1 . 1 1 41 41 ASP CB C 41 42.513 42.513 43.405 -0.892 25910 228 1 . 1 1 41 41 ASP H H 41 8.588 8.588 8.552 0.036 25910 229 1 . 1 1 42 42 GLY N N 42 109.126 109.126 109.232 -0.105 25910 230 1 . 1 1 42 42 GLY C C 42 171.778 171.778 173.058 -1.280 25910 231 1 . 1 1 42 42 GLY CA C 42 45.243 45.243 44.317 0.926 25910 232 1 . 1 1 42 42 GLY H H 42 7.672 7.672 7.877 -0.205 25910 233 1 . 1 1 43 43 GLU N N 43 122.448 122.448 121.278 1.170 25910 234 1 . 1 1 43 43 GLU HA H 43 4.628 4.628 4.497 0.131 25910 235 1 . 1 1 43 43 GLU C C 43 176.874 176.874 176.459 0.415 25910 236 1 . 1 1 43 43 GLU CA C 43 55.350 55.350 55.257 0.093 25910 237 1 . 1 1 43 43 GLU CB C 43 31.207 31.207 30.539 0.668 25910 238 1 . 1 1 43 43 GLU H H 43 8.089 8.089 8.251 -0.162 25910 239 1 . 1 1 44 44 TRP N N 44 130.232 130.232 127.764 2.468 25910 240 1 . 1 1 44 44 TRP HA H 44 5.313 5.313 5.088 0.225 25910 241 1 . 1 1 44 44 TRP C C 44 176.867 176.867 176.679 0.189 25910 242 1 . 1 1 44 44 TRP CA C 44 57.688 57.688 57.010 0.678 25910 243 1 . 1 1 44 44 TRP CB C 44 30.268 30.268 29.472 0.796 25910 244 1 . 1 1 44 44 TRP H H 44 9.284 9.284 8.829 0.454 25910 245 1 . 1 1 45 45 THR N N 45 116.544 116.544 120.336 -3.792 25910 246 1 . 1 1 45 45 THR HA H 45 4.626 4.626 4.757 -0.131 25910 247 1 . 1 1 45 45 THR C C 45 172.518 172.518 172.788 -0.270 25910 248 1 . 1 1 45 45 THR CA C 45 60.392 60.392 61.372 -0.980 25910 249 1 . 1 1 45 45 THR CB C 45 72.517 72.517 71.076 1.441 25910 250 1 . 1 1 45 45 THR H H 45 9.192 9.192 8.896 0.296 25910 251 1 . 1 1 46 46 TYR N N 46 122.420 122.420 122.895 -0.475 25910 252 1 . 1 1 46 46 TYR HA H 46 4.375 4.375 4.865 -0.490 25910 253 1 . 1 1 46 46 TYR C C 46 173.077 173.077 174.256 -1.179 25910 254 1 . 1 1 46 46 TYR CA C 46 56.663 56.663 54.940 1.723 25910 255 1 . 1 1 46 46 TYR CB C 46 38.701 38.701 39.825 -1.124 25910 256 1 . 1 1 46 46 TYR H H 46 8.512 8.512 8.088 0.424 25910 257 1 . 1 1 47 47 ASP N N 47 130.329 130.329 123.259 7.070 25910 258 1 . 1 1 47 47 ASP HA H 47 4.520 4.520 4.812 -0.292 25910 259 1 . 1 1 47 47 ASP C C 47 174.266 174.266 175.903 -1.637 25910 260 1 . 1 1 47 47 ASP CA C 47 51.864 51.864 52.911 -1.047 25910 261 1 . 1 1 47 47 ASP CB C 47 42.670 42.670 42.774 -0.104 25910 262 1 . 1 1 47 47 ASP H H 47 7.613 7.613 8.678 -1.065 25910 263 1 . 1 1 48 48 ASP N N 48 126.699 126.699 125.517 1.182 25910 264 1 . 1 1 48 48 ASP HA H 48 4.019 4.019 4.466 -0.447 25910 265 1 . 1 1 48 48 ASP C C 48 177.981 177.981 176.778 1.203 25910 266 1 . 1 1 48 48 ASP CA C 48 56.198 56.198 56.432 -0.234 25910 267 1 . 1 1 48 48 ASP CB C 48 41.614 41.614 40.884 0.730 25910 268 1 . 1 1 48 48 ASP H H 48 8.422 8.422 8.817 -0.395 25910 269 1 . 1 1 49 49 ALA N N 49 121.819 121.819 122.445 -0.626 25910 270 1 . 1 1 49 49 ALA HA H 49 4.021 4.021 4.208 -0.187 25910 271 1 . 1 1 49 49 ALA C C 49 179.522 179.522 179.275 0.247 25910 272 1 . 1 1 49 49 ALA CA C 49 54.829 54.829 54.415 0.414 25910 273 1 . 1 1 49 49 ALA CB C 49 18.168 18.168 18.817 -0.649 25910 274 1 . 1 1 49 49 ALA H H 49 8.202 8.202 8.088 0.114 25910 275 1 . 1 1 50 50 THR N N 50 105.089 105.089 111.248 -6.159 25910 276 1 . 1 1 50 50 THR HA H 50 4.318 4.318 4.291 0.027 25910 277 1 . 1 1 50 50 THR C C 50 174.943 174.943 174.620 0.323 25910 278 1 . 1 1 50 50 THR CA C 50 60.343 60.343 62.876 -2.533 25910 279 1 . 1 1 50 50 THR CB C 50 69.532 69.532 69.419 0.113 25910 280 1 . 1 1 50 50 THR H H 50 6.890 6.890 8.339 -1.449 25910 281 1 . 1 1 51 51 LYS N N 51 125.512 125.512 117.610 7.902 25910 282 1 . 1 1 51 51 LYS HA H 51 4.079 4.079 3.936 0.143 25910 283 1 . 1 1 51 51 LYS C C 51 174.733 174.733 175.054 -0.321 25910 284 1 . 1 1 51 51 LYS CA C 51 57.119 57.119 57.307 -0.188 25910 285 1 . 1 1 51 51 LYS CB C 51 33.975 33.975 30.066 3.909 25910 286 1 . 1 1 51 51 LYS H H 51 7.764 7.764 8.002 -0.238 25910 287 1 . 1 1 52 52 THR N N 52 112.742 112.742 109.620 3.122 25910 288 1 . 1 1 52 52 THR HA H 52 5.437 5.437 5.272 0.165 25910 289 1 . 1 1 52 52 THR C C 52 174.733 174.733 173.105 1.628 25910 290 1 . 1 1 52 52 THR CA C 52 62.078 62.078 60.412 1.666 25910 291 1 . 1 1 52 52 THR CB C 52 63.076 63.076 71.817 -8.741 25910 292 1 . 1 1 52 52 THR H H 52 7.261 7.261 7.980 -0.719 25910 293 1 . 1 1 53 53 PHE N N 53 132.937 132.937 123.491 9.446 25910 294 1 . 1 1 53 53 PHE HA H 53 5.641 5.641 5.340 0.301 25910 295 1 . 1 1 53 53 PHE C C 53 174.377 174.377 173.774 0.603 25910 296 1 . 1 1 53 53 PHE CA C 53 56.995 56.995 56.344 0.651 25910 297 1 . 1 1 53 53 PHE CB C 53 42.679 42.679 42.369 0.310 25910 298 1 . 1 1 53 53 PHE H H 53 10.363 10.363 9.210 1.153 25910 299 1 . 1 1 54 54 THR N N 54 119.069 119.069 123.516 -4.447 25910 300 1 . 1 1 54 54 THR HA H 54 5.140 5.140 5.109 0.031 25910 301 1 . 1 1 54 54 THR C C 54 172.417 172.417 173.479 -1.062 25910 302 1 . 1 1 54 54 THR CA C 54 61.408 61.408 61.251 0.157 25910 303 1 . 1 1 54 54 THR CB C 54 65.839 65.839 70.798 -4.959 25910 304 1 . 1 1 54 54 THR H H 54 9.011 9.011 8.953 0.058 25910 305 1 . 1 1 55 55 VAL N N 55 125.268 125.268 127.803 -2.535 25910 306 1 . 1 1 55 55 VAL HA H 55 4.382 4.382 4.158 0.224 25910 307 1 . 1 1 55 55 VAL CA C 55 57.834 57.834 60.662 -2.828 25910 308 1 . 1 1 55 55 VAL CB C 55 32.223 32.223 30.347 1.876 25910 309 1 . 1 1 55 55 VAL H H 55 8.122 8.122 8.659 -0.537 25910 310 1 . 1 1 56 56 THR N N 56 125.548 125.548 124.621 0.927 25910 311 1 . 1 1 56 56 THR C C 56 173.901 173.901 173.564 0.337 25910 312 1 . 1 1 56 56 THR CA C 56 61.272 61.272 61.897 -0.625 25910 313 1 . 1 1 56 56 THR H H 56 8.306 8.306 8.351 -0.045 25910 stop_ save_