data_19549 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19549 _Entry.PDB_ID 2MFH 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 19549 _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 LEU N N 2 124.131 124.131 125.118 -0.987 19549 2 1 1 . 1 1 2 2 LEU HA H 2 4.628 4.628 4.914 -0.286 19549 3 1 1 . 1 1 2 2 LEU CA C 2 54.587 54.587 54.109 0.478 19549 4 1 1 . 1 1 2 2 LEU CB C 2 42.584 42.584 44.514 -1.930 19549 5 1 1 . 1 1 2 2 LEU H H 2 8.398 8.398 8.266 0.132 19549 6 1 1 . 1 1 3 3 ILE N N 3 130.553 130.553 121.719 8.834 19549 7 1 1 . 1 1 3 3 ILE HA H 3 5.008 5.008 4.389 0.619 19549 8 1 1 . 1 1 3 3 ILE CA C 3 60.327 60.327 61.110 -0.783 19549 9 1 1 . 1 1 3 3 ILE CB C 3 38.133 38.133 39.295 -1.162 19549 10 1 1 . 1 1 3 3 ILE H H 3 10.460 10.460 8.256 2.204 19549 11 1 1 . 1 1 4 4 LEU N N 4 125.358 125.358 127.660 -2.302 19549 12 1 1 . 1 1 4 4 LEU HA H 4 4.963 4.963 4.778 0.185 19549 13 1 1 . 1 1 4 4 LEU CA C 4 52.865 52.865 53.922 -1.057 19549 14 1 1 . 1 1 4 4 LEU CB C 4 46.677 46.677 44.031 2.646 19549 15 1 1 . 1 1 4 4 LEU H H 4 8.905 8.905 8.406 0.499 19549 16 1 1 . 1 1 5 5 THR N N 5 116.751 116.751 118.297 -1.546 19549 17 1 1 . 1 1 5 5 THR HA H 5 5.488 5.488 4.592 0.896 19549 18 1 1 . 1 1 5 5 THR CA C 5 60.717 60.717 61.953 -1.236 19549 19 1 1 . 1 1 5 5 THR CB C 5 69.781 69.781 69.017 0.764 19549 20 1 1 . 1 1 5 5 THR H H 5 9.479 9.479 8.325 1.154 19549 21 1 1 . 1 1 6 6 ARG N N 6 124.665 124.665 125.311 -0.646 19549 22 1 1 . 1 1 6 6 ARG HA H 6 4.989 4.989 4.716 0.273 19549 23 1 1 . 1 1 6 6 ARG CA C 6 55.266 55.266 54.569 0.697 19549 24 1 1 . 1 1 6 6 ARG CB C 6 38.593 38.593 32.239 6.354 19549 25 1 1 . 1 1 6 6 ARG H H 6 9.293 9.293 8.124 1.169 19549 26 1 1 . 1 1 7 7 LYS N N 7 123.257 123.257 119.027 4.230 19549 27 1 1 . 1 1 7 7 LYS HA H 7 5.102 5.102 4.511 0.591 19549 28 1 1 . 1 1 7 7 LYS CA C 7 54.238 54.238 55.074 -0.836 19549 29 1 1 . 1 1 7 7 LYS CB C 7 34.302 34.302 33.594 0.708 19549 30 1 1 . 1 1 7 7 LYS H H 7 9.412 9.412 8.232 1.180 19549 31 1 1 . 1 1 8 8 VAL N N 8 118.052 118.052 118.030 0.022 19549 32 1 1 . 1 1 8 8 VAL HA H 8 3.277 3.277 3.835 -0.558 19549 33 1 1 . 1 1 8 8 VAL CA C 8 65.940 65.940 63.429 2.511 19549 34 1 1 . 1 1 8 8 VAL CB C 8 31.648 31.648 31.101 0.547 19549 35 1 1 . 1 1 8 8 VAL H H 8 7.480 7.480 8.286 -0.806 19549 36 1 1 . 1 1 9 9 GLY N N 9 115.983 115.983 114.623 1.360 19549 37 1 1 . 1 1 9 9 GLY CA C 9 44.555 44.555 44.926 -0.371 19549 38 1 1 . 1 1 9 9 GLY H H 9 9.192 9.192 9.320 -0.128 19549 39 1 1 . 1 1 10 10 GLU N N 10 119.194 119.194 121.153 -1.959 19549 40 1 1 . 1 1 10 10 GLU HA H 10 4.886 4.886 4.513 0.373 19549 41 1 1 . 1 1 10 10 GLU CA C 10 55.870 55.870 55.862 0.008 19549 42 1 1 . 1 1 10 10 GLU CB C 10 33.038 33.038 30.617 2.421 19549 43 1 1 . 1 1 10 10 GLU H H 10 8.294 8.294 8.066 0.228 19549 44 1 1 . 1 1 11 11 SER N N 11 112.576 112.576 114.262 -1.686 19549 45 1 1 . 1 1 11 11 SER HA H 11 5.875 5.875 5.234 0.641 19549 46 1 1 . 1 1 11 11 SER CA C 11 58.033 58.033 57.289 0.744 19549 47 1 1 . 1 1 11 11 SER CB C 11 67.006 67.006 66.252 0.754 19549 48 1 1 . 1 1 11 11 SER H H 11 8.651 8.651 8.484 0.167 19549 49 1 1 . 1 1 12 12 ILE N N 12 124.514 124.514 121.322 3.192 19549 50 1 1 . 1 1 12 12 ILE HA H 12 4.383 4.383 4.537 -0.154 19549 51 1 1 . 1 1 12 12 ILE CA C 12 60.041 60.041 59.666 0.375 19549 52 1 1 . 1 1 12 12 ILE CB C 12 42.818 42.818 42.988 -0.170 19549 53 1 1 . 1 1 12 12 ILE H H 12 9.266 9.266 8.797 0.469 19549 54 1 1 . 1 1 13 13 ASN N N 13 126.280 126.280 119.826 6.454 19549 55 1 1 . 1 1 13 13 ASN HA H 13 4.991 4.991 5.031 -0.040 19549 56 1 1 . 1 1 13 13 ASN CA C 13 53.546 53.546 52.636 0.910 19549 57 1 1 . 1 1 13 13 ASN CB C 13 41.558 41.558 42.056 -0.498 19549 58 1 1 . 1 1 13 13 ASN H H 13 9.360 9.360 8.462 0.898 19549 59 1 1 . 1 1 14 14 ILE N N 14 123.986 123.986 120.741 3.245 19549 60 1 1 . 1 1 14 14 ILE HA H 14 4.439 4.439 4.494 -0.055 19549 61 1 1 . 1 1 14 14 ILE CA C 14 60.646 60.646 60.550 0.096 19549 62 1 1 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.716 -3.207 19549 63 1 1 . 1 1 14 14 ILE H H 14 8.425 8.425 8.347 0.078 19549 64 1 1 . 1 1 15 15 GLY N N 15 115.388 115.388 112.382 3.006 19549 65 1 1 . 1 1 15 15 GLY CA C 15 46.004 46.004 46.037 -0.033 19549 66 1 1 . 1 1 15 15 GLY H H 15 9.067 9.067 8.625 0.442 19549 67 1 1 . 1 1 16 16 ASP N N 16 120.794 120.794 122.660 -1.866 19549 68 1 1 . 1 1 16 16 ASP HA H 16 4.958 4.958 4.739 0.219 19549 69 1 1 . 1 1 16 16 ASP CA C 16 55.353 55.353 54.292 1.061 19549 70 1 1 . 1 1 16 16 ASP CB C 16 42.388 42.388 41.436 0.952 19549 71 1 1 . 1 1 16 16 ASP H H 16 8.760 8.760 8.381 0.379 19549 72 1 1 . 1 1 17 17 ASP N N 17 115.630 115.630 119.777 -4.147 19549 73 1 1 . 1 1 17 17 ASP HA H 17 4.748 4.748 4.846 -0.098 19549 74 1 1 . 1 1 17 17 ASP CA C 17 54.200 54.200 54.044 0.156 19549 75 1 1 . 1 1 17 17 ASP CB C 17 42.610 42.610 43.727 -1.117 19549 76 1 1 . 1 1 17 17 ASP H H 17 8.159 8.159 7.961 0.198 19549 77 1 1 . 1 1 18 18 ILE N N 18 118.662 118.662 120.182 -1.520 19549 78 1 1 . 1 1 18 18 ILE HA H 18 5.229 5.229 5.266 -0.037 19549 79 1 1 . 1 1 18 18 ILE CA C 18 60.093 60.093 60.178 -0.085 19549 80 1 1 . 1 1 18 18 ILE CB C 18 39.842 39.842 42.029 -2.187 19549 81 1 1 . 1 1 18 18 ILE H H 18 7.168 7.168 7.675 -0.507 19549 82 1 1 . 1 1 19 19 THR N N 19 122.951 122.951 121.079 1.872 19549 83 1 1 . 1 1 19 19 THR HA H 19 5.125 5.125 5.010 0.115 19549 84 1 1 . 1 1 19 19 THR CA C 19 60.957 60.957 61.648 -0.691 19549 85 1 1 . 1 1 19 19 THR CB C 19 71.814 71.814 72.471 -0.657 19549 86 1 1 . 1 1 19 19 THR H H 19 8.929 8.929 8.739 0.190 19549 87 1 1 . 1 1 20 20 ILE N N 20 123.522 123.522 122.351 1.171 19549 88 1 1 . 1 1 20 20 ILE HA H 20 4.929 4.929 4.985 -0.056 19549 89 1 1 . 1 1 20 20 ILE CA C 20 58.829 58.829 59.310 -0.481 19549 90 1 1 . 1 1 20 20 ILE CB C 20 40.386 40.386 41.745 -1.359 19549 91 1 1 . 1 1 20 20 ILE H H 20 8.933 8.933 9.221 -0.288 19549 92 1 1 . 1 1 21 21 THR N N 21 123.651 123.651 120.647 3.004 19549 93 1 1 . 1 1 21 21 THR HA H 21 4.830 4.830 4.978 -0.148 19549 94 1 1 . 1 1 21 21 THR CA C 21 61.581 61.581 61.769 -0.188 19549 95 1 1 . 1 1 21 21 THR CB C 21 72.037 72.037 72.386 -0.349 19549 96 1 1 . 1 1 21 21 THR H H 21 9.395 9.395 8.915 0.480 19549 97 1 1 . 1 1 22 22 ILE N N 22 125.699 125.699 126.125 -0.426 19549 98 1 1 . 1 1 22 22 ILE HA H 22 4.061 4.061 4.545 -0.484 19549 99 1 1 . 1 1 22 22 ILE CA C 22 59.160 59.160 58.441 0.719 19549 100 1 1 . 1 1 22 22 ILE CB C 22 33.845 33.845 38.540 -4.695 19549 101 1 1 . 1 1 22 22 ILE H H 22 8.108 8.108 8.258 -0.150 19549 102 1 1 . 1 1 23 23 LEU N N 23 129.578 129.578 129.442 0.136 19549 103 1 1 . 1 1 23 23 LEU HA H 23 4.594 4.594 4.376 0.218 19549 104 1 1 . 1 1 23 23 LEU CA C 23 56.030 56.030 55.997 0.033 19549 105 1 1 . 1 1 23 23 LEU CB C 23 42.217 42.217 41.888 0.329 19549 106 1 1 . 1 1 23 23 LEU H H 23 8.756 8.756 8.531 0.225 19549 107 1 1 . 1 1 24 24 GLY N N 24 104.272 104.272 103.993 0.279 19549 108 1 1 . 1 1 24 24 GLY CA C 24 45.970 45.970 44.840 1.130 19549 109 1 1 . 1 1 24 24 GLY H H 24 7.514 7.514 7.653 -0.139 19549 110 1 1 . 1 1 25 25 VAL N N 25 120.134 120.134 115.220 4.914 19549 111 1 1 . 1 1 25 25 VAL HA H 25 4.647 4.647 5.028 -0.381 19549 112 1 1 . 1 1 25 25 VAL CA C 25 61.531 61.531 58.914 2.617 19549 113 1 1 . 1 1 25 25 VAL CB C 25 35.904 35.904 35.639 0.265 19549 114 1 1 . 1 1 25 25 VAL H H 25 8.395 8.395 8.361 0.034 19549 115 1 1 . 1 1 26 26 SER N N 26 121.285 121.285 117.519 3.766 19549 116 1 1 . 1 1 26 26 SER HA H 26 4.603 4.603 4.615 -0.012 19549 117 1 1 . 1 1 26 26 SER CA C 26 54.493 54.493 57.923 -3.430 19549 118 1 1 . 1 1 26 26 SER CB C 26 63.660 63.660 64.056 -0.396 19549 119 1 1 . 1 1 26 26 SER H H 26 8.572 8.572 8.762 -0.190 19549 120 1 1 . 1 1 27 27 GLY N N 27 118.284 118.284 115.611 2.673 19549 121 1 1 . 1 1 27 27 GLY CA C 27 47.497 47.497 46.741 0.756 19549 122 1 1 . 1 1 27 27 GLY H H 27 9.023 9.023 8.601 0.422 19549 123 1 1 . 1 1 28 28 GLN N N 28 124.451 124.451 122.811 1.640 19549 124 1 1 . 1 1 28 28 GLN HA H 28 4.279 4.279 4.526 -0.247 19549 125 1 1 . 1 1 28 28 GLN CA C 28 55.059 55.059 55.475 -0.416 19549 126 1 1 . 1 1 28 28 GLN CB C 28 29.318 29.318 29.921 -0.603 19549 127 1 1 . 1 1 28 28 GLN H H 28 8.677 8.677 8.439 0.238 19549 128 1 1 . 1 1 29 29 GLN N N 29 117.498 117.498 120.731 -3.233 19549 129 1 1 . 1 1 29 29 GLN HA H 29 4.634 4.634 4.430 0.204 19549 130 1 1 . 1 1 29 29 GLN CA C 29 55.294 55.294 55.746 -0.452 19549 131 1 1 . 1 1 29 29 GLN CB C 29 31.664 31.664 29.811 1.853 19549 132 1 1 . 1 1 29 29 GLN H H 29 8.008 8.008 7.843 0.165 19549 133 1 1 . 1 1 30 30 VAL N N 30 124.525 124.525 121.707 2.818 19549 134 1 1 . 1 1 30 30 VAL HA H 30 4.529 4.529 4.581 -0.052 19549 135 1 1 . 1 1 30 30 VAL CA C 30 60.568 60.568 61.330 -0.762 19549 136 1 1 . 1 1 30 30 VAL CB C 30 34.606 34.606 33.234 1.372 19549 137 1 1 . 1 1 30 30 VAL H H 30 9.147 9.147 8.396 0.751 19549 138 1 1 . 1 1 31 31 ARG N N 31 128.593 128.593 128.594 -0.001 19549 139 1 1 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.592 0.045 19549 140 1 1 . 1 1 31 31 ARG CA C 31 55.501 55.501 55.543 -0.042 19549 141 1 1 . 1 1 31 31 ARG CB C 31 31.889 31.889 31.640 0.249 19549 142 1 1 . 1 1 31 31 ARG H H 31 8.690 8.690 8.721 -0.031 19549 143 1 1 . 1 1 32 32 ILE N N 32 127.666 127.666 122.877 4.789 19549 144 1 1 . 1 1 32 32 ILE HA H 32 4.613 4.613 4.889 -0.276 19549 145 1 1 . 1 1 32 32 ILE CA C 32 59.838 59.838 59.349 0.489 19549 146 1 1 . 1 1 32 32 ILE CB C 32 41.183 41.183 42.087 -0.904 19549 147 1 1 . 1 1 32 32 ILE H H 32 9.114 9.114 8.377 0.737 19549 148 1 1 . 1 1 33 33 GLY N N 33 112.830 112.830 110.832 1.998 19549 149 1 1 . 1 1 33 33 GLY CA C 33 44.730 44.730 43.876 0.854 19549 150 1 1 . 1 1 33 33 GLY H H 33 9.177 9.177 8.855 0.322 19549 151 1 1 . 1 1 34 34 ILE N N 34 125.226 125.226 120.027 5.199 19549 152 1 1 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.857 -0.054 19549 153 1 1 . 1 1 34 34 ILE CA C 34 61.001 61.001 60.454 0.547 19549 154 1 1 . 1 1 34 34 ILE CB C 34 41.080 41.080 42.492 -1.412 19549 155 1 1 . 1 1 34 34 ILE H H 34 9.637 9.637 8.207 1.430 19549 156 1 1 . 1 1 35 35 ASN N N 35 129.590 129.590 123.941 5.649 19549 157 1 1 . 1 1 35 35 ASN HA H 35 5.094 5.094 4.965 0.129 19549 158 1 1 . 1 1 35 35 ASN CA C 35 52.185 52.185 52.664 -0.479 19549 159 1 1 . 1 1 35 35 ASN CB C 35 40.108 40.108 40.792 -0.684 19549 160 1 1 . 1 1 35 35 ASN H H 35 9.029 9.029 8.781 0.248 19549 161 1 1 . 1 1 36 36 ALA N N 36 125.688 125.688 128.007 -2.319 19549 162 1 1 . 1 1 36 36 ALA HA H 36 5.063 5.063 5.233 -0.170 19549 163 1 1 . 1 1 36 36 ALA CA C 36 49.365 49.365 49.565 -0.200 19549 164 1 1 . 1 1 36 36 ALA CB C 36 19.873 19.873 20.998 -1.125 19549 165 1 1 . 1 1 36 36 ALA H H 36 8.208 8.208 8.160 0.048 19549 166 1 1 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.561 -0.146 19549 167 1 1 . 1 1 37 37 PRO CA C 37 62.916 62.916 62.201 0.715 19549 168 1 1 . 1 1 37 37 PRO CB C 37 32.477 32.477 32.498 -0.021 19549 169 1 1 . 1 1 38 38 LYS N N 38 121.103 121.103 120.559 0.544 19549 170 1 1 . 1 1 38 38 LYS HA H 38 3.825 3.825 4.153 -0.328 19549 171 1 1 . 1 1 38 38 LYS CA C 38 58.927 58.927 57.693 1.234 19549 172 1 1 . 1 1 38 38 LYS CB C 38 32.014 32.014 31.889 0.125 19549 173 1 1 . 1 1 38 38 LYS H H 38 8.550 8.550 8.546 0.004 19549 174 1 1 . 1 1 39 39 ASP N N 39 113.829 113.829 119.070 -5.241 19549 175 1 1 . 1 1 39 39 ASP HA H 39 4.374 4.374 4.525 -0.151 19549 176 1 1 . 1 1 39 39 ASP CA C 39 54.078 54.078 54.929 -0.851 19549 177 1 1 . 1 1 39 39 ASP CB C 39 39.822 39.822 40.770 -0.948 19549 178 1 1 . 1 1 39 39 ASP H H 39 8.143 8.143 8.400 -0.257 19549 179 1 1 . 1 1 40 40 VAL N N 40 122.624 122.624 114.870 7.754 19549 180 1 1 . 1 1 40 40 VAL HA H 40 3.980 3.980 4.462 -0.482 19549 181 1 1 . 1 1 40 40 VAL CA C 40 62.040 62.040 59.635 2.405 19549 182 1 1 . 1 1 40 40 VAL CB C 40 31.928 31.928 35.190 -3.262 19549 183 1 1 . 1 1 40 40 VAL H H 40 8.020 8.020 7.487 0.533 19549 184 1 1 . 1 1 41 41 ALA N N 41 133.718 133.718 124.426 9.292 19549 185 1 1 . 1 1 41 41 ALA HA H 41 4.474 4.474 4.906 -0.432 19549 186 1 1 . 1 1 41 41 ALA CA C 41 52.263 52.263 51.122 1.141 19549 187 1 1 . 1 1 41 41 ALA CB C 41 19.155 19.155 20.212 -1.056 19549 188 1 1 . 1 1 41 41 ALA H H 41 8.897 8.897 8.286 0.611 19549 189 1 1 . 1 1 42 42 VAL N N 42 125.194 125.194 120.278 4.916 19549 190 1 1 . 1 1 42 42 VAL HA H 42 4.434 4.434 4.284 0.150 19549 191 1 1 . 1 1 42 42 VAL CA C 42 60.771 60.771 61.675 -0.904 19549 192 1 1 . 1 1 42 42 VAL CB C 42 33.599 33.599 33.136 0.463 19549 193 1 1 . 1 1 42 42 VAL H H 42 7.847 7.847 7.857 -0.010 19549 194 1 1 . 1 1 43 43 HIS N N 43 118.938 118.938 124.417 -5.479 19549 195 1 1 . 1 1 43 43 HIS HA H 43 5.566 5.566 5.032 0.534 19549 196 1 1 . 1 1 43 43 HIS CA C 43 53.931 53.931 55.292 -1.361 19549 197 1 1 . 1 1 43 43 HIS CB C 43 37.649 37.649 31.809 5.840 19549 198 1 1 . 1 1 43 43 HIS H H 43 8.644 8.644 8.275 0.369 19549 199 1 1 . 1 1 44 44 ARG N N 44 122.301 122.301 120.976 1.325 19549 200 1 1 . 1 1 44 44 ARG HA H 44 3.970 3.970 4.456 -0.486 19549 201 1 1 . 1 1 44 44 ARG CA C 44 58.580 58.580 55.632 2.948 19549 202 1 1 . 1 1 44 44 ARG H H 44 8.828 8.828 8.582 0.246 19549 203 1 1 . 1 1 45 45 GLU N N 45 126.010 126.010 121.106 4.904 19549 204 1 1 . 1 1 45 45 GLU HA H 45 4.417 4.417 4.001 0.416 19549 205 1 1 . 1 1 45 45 GLU CA C 45 59.945 59.945 59.452 0.493 19549 206 1 1 . 1 1 45 45 GLU CB C 45 29.981 29.981 29.486 0.495 19549 207 1 1 . 1 1 45 45 GLU H H 45 7.895 7.895 8.930 -1.035 19549 208 1 1 . 1 1 46 46 GLU N N 46 118.177 118.177 119.030 -0.853 19549 209 1 1 . 1 1 46 46 GLU HA H 46 4.269 4.269 4.159 0.110 19549 210 1 1 . 1 1 46 46 GLU CA C 46 58.726 58.726 58.992 -0.266 19549 211 1 1 . 1 1 46 46 GLU CB C 46 27.085 27.085 29.079 -1.994 19549 212 1 1 . 1 1 46 46 GLU H H 46 10.765 10.765 8.640 2.125 19549 213 1 1 . 1 1 47 47 ILE N N 47 122.543 122.543 119.092 3.451 19549 214 1 1 . 1 1 47 47 ILE HA H 47 3.796 3.796 3.946 -0.150 19549 215 1 1 . 1 1 47 47 ILE CA C 47 61.102 61.102 61.838 -0.736 19549 216 1 1 . 1 1 47 47 ILE CB C 47 35.713 35.713 36.967 -1.254 19549 217 1 1 . 1 1 47 47 ILE H H 47 7.197 7.197 7.682 -0.485 19549 218 1 1 . 1 1 48 48 TYR N N 48 122.234 122.234 121.767 0.467 19549 219 1 1 . 1 1 48 48 TYR HA H 48 3.655 3.655 4.026 -0.371 19549 220 1 1 . 1 1 48 48 TYR CA C 48 62.312 62.312 61.840 0.472 19549 221 1 1 . 1 1 48 48 TYR CB C 48 39.249 39.249 38.149 1.100 19549 222 1 1 . 1 1 48 48 TYR H H 48 8.134 8.134 8.121 0.013 19549 223 1 1 . 1 1 49 49 GLN N N 49 115.293 115.293 116.439 -1.146 19549 224 1 1 . 1 1 49 49 GLN HA H 49 3.856 3.856 4.089 -0.233 19549 225 1 1 . 1 1 49 49 GLN CA C 49 58.599 58.599 58.121 0.478 19549 226 1 1 . 1 1 49 49 GLN CB C 49 28.265 28.265 28.583 -0.318 19549 227 1 1 . 1 1 49 49 GLN H H 49 8.658 8.658 7.732 0.926 19549 228 1 1 . 1 1 50 50 ARG N N 50 120.188 120.188 117.549 2.639 19549 229 1 1 . 1 1 50 50 ARG HA H 50 3.983 3.983 4.178 -0.195 19549 230 1 1 . 1 1 50 50 ARG CA C 50 59.219 59.219 57.577 1.642 19549 231 1 1 . 1 1 50 50 ARG CB C 50 30.367 30.367 30.103 0.264 19549 232 1 1 . 1 1 50 50 ARG H H 50 7.135 7.135 7.650 -0.515 19549 233 1 1 . 1 1 51 51 ILE N N 51 120.791 120.791 120.247 0.544 19549 234 1 1 . 1 1 51 51 ILE HA H 51 3.628 3.628 3.925 -0.297 19549 235 1 1 . 1 1 51 51 ILE CA C 51 64.528 64.528 63.480 1.048 19549 236 1 1 . 1 1 51 51 ILE CB C 51 38.019 38.019 38.560 -0.541 19549 237 1 1 . 1 1 51 51 ILE H H 51 7.897 7.897 7.206 0.691 19549 238 1 1 . 1 1 52 52 GLN N N 52 118.963 118.963 118.716 0.247 19549 239 1 1 . 1 1 52 52 GLN HA H 52 3.808 3.808 3.956 -0.148 19549 240 1 1 . 1 1 52 52 GLN CA C 52 57.546 57.546 56.643 0.903 19549 241 1 1 . 1 1 52 52 GLN CB C 52 28.215 28.215 27.455 0.760 19549 242 1 1 . 1 1 52 52 GLN H H 52 7.915 7.915 7.649 0.266 19549 243 1 1 . 1 1 53 53 ALA N N 53 120.242 120.242 120.224 0.018 19549 244 1 1 . 1 1 53 53 ALA HA H 53 4.190 4.190 4.194 -0.004 19549 245 1 1 . 1 1 53 53 ALA CA C 53 53.069 53.069 52.828 0.241 19549 246 1 1 . 1 1 53 53 ALA CB C 53 18.757 18.757 18.843 -0.086 19549 247 1 1 . 1 1 53 53 ALA H H 53 7.558 7.558 7.688 -0.130 19549 248 1 1 . 1 1 54 54 GLY N N 54 105.982 105.982 104.185 1.797 19549 249 1 1 . 1 1 54 54 GLY CA C 54 45.670 45.670 45.071 0.599 19549 250 1 1 . 1 1 54 54 GLY H H 54 7.714 7.714 7.827 -0.113 19549 251 1 1 . 1 1 55 55 LEU N N 55 120.632 120.632 116.813 3.819 19549 252 1 1 . 1 1 55 55 LEU HA H 55 4.320 4.320 5.022 -0.702 19549 253 1 1 . 1 1 55 55 LEU CA C 55 55.352 55.352 53.530 1.822 19549 254 1 1 . 1 1 55 55 LEU CB C 55 42.303 42.303 42.960 -0.657 19549 255 1 1 . 1 1 55 55 LEU H H 55 7.725 7.725 8.010 -0.285 19549 256 1 1 . 1 1 56 56 THR N N 56 113.330 113.330 112.442 0.888 19549 257 1 1 . 1 1 56 56 THR HA H 56 4.258 4.258 4.422 -0.164 19549 258 1 1 . 1 1 56 56 THR CA C 56 61.410 61.410 61.989 -0.579 19549 259 1 1 . 1 1 56 56 THR CB C 56 70.101 70.101 69.632 0.469 19549 260 1 1 . 1 1 56 56 THR H H 56 7.902 7.902 8.294 -0.392 19549 261 1 1 . 1 1 57 57 ALA N N 57 127.054 127.054 124.252 2.802 19549 262 1 1 . 1 1 57 57 ALA HA H 57 4.475 4.475 4.773 -0.298 19549 263 1 1 . 1 1 57 57 ALA CA C 57 50.560 50.560 50.340 0.220 19549 264 1 1 . 1 1 57 57 ALA CB C 57 18.502 18.502 20.174 -1.672 19549 265 1 1 . 1 1 57 57 ALA H H 57 8.050 8.050 7.606 0.444 19549 266 1 1 . 1 1 58 58 PRO HA H 58 4.269 4.269 4.388 -0.119 19549 267 1 1 . 1 1 58 58 PRO CA C 58 63.723 63.723 62.703 1.020 19549 268 1 1 . 1 1 58 58 PRO CB C 58 31.907 31.907 32.330 -0.423 19549 269 1 2 . 1 1 2 2 LEU N N 2 124.131 124.131 125.709 -1.578 19549 270 1 2 . 1 1 2 2 LEU HA H 2 4.628 4.628 5.153 -0.525 19549 271 1 2 . 1 1 2 2 LEU CA C 2 54.587 54.587 53.875 0.712 19549 272 1 2 . 1 1 2 2 LEU CB C 2 42.584 42.584 44.983 -2.399 19549 273 1 2 . 1 1 2 2 LEU H H 2 8.398 8.398 8.913 -0.515 19549 274 1 2 . 1 1 3 3 ILE N N 3 130.553 130.553 120.800 9.753 19549 275 1 2 . 1 1 3 3 ILE HA H 3 5.008 5.008 4.425 0.583 19549 276 1 2 . 1 1 3 3 ILE CA C 3 60.327 60.327 60.805 -0.478 19549 277 1 2 . 1 1 3 3 ILE CB C 3 38.133 38.133 39.083 -0.950 19549 278 1 2 . 1 1 3 3 ILE H H 3 10.460 10.460 8.044 2.416 19549 279 1 2 . 1 1 4 4 LEU N N 4 125.358 125.358 124.731 0.627 19549 280 1 2 . 1 1 4 4 LEU HA H 4 4.963 4.963 4.722 0.241 19549 281 1 2 . 1 1 4 4 LEU CA C 4 52.865 52.865 54.181 -1.317 19549 282 1 2 . 1 1 4 4 LEU CB C 4 46.677 46.677 44.340 2.337 19549 283 1 2 . 1 1 4 4 LEU H H 4 8.905 8.905 8.192 0.713 19549 284 1 2 . 1 1 5 5 THR N N 5 116.751 116.751 117.051 -0.300 19549 285 1 2 . 1 1 5 5 THR HA H 5 5.488 5.488 4.632 0.856 19549 286 1 2 . 1 1 5 5 THR CA C 5 60.717 60.717 61.892 -1.175 19549 287 1 2 . 1 1 5 5 THR CB C 5 69.781 69.781 69.326 0.455 19549 288 1 2 . 1 1 5 5 THR H H 5 9.479 9.479 8.200 1.279 19549 289 1 2 . 1 1 6 6 ARG N N 6 124.665 124.665 126.966 -2.301 19549 290 1 2 . 1 1 6 6 ARG HA H 6 4.989 4.989 4.547 0.442 19549 291 1 2 . 1 1 6 6 ARG CA C 6 55.266 55.266 55.423 -0.157 19549 292 1 2 . 1 1 6 6 ARG CB C 6 38.593 38.593 32.513 6.080 19549 293 1 2 . 1 1 6 6 ARG H H 6 9.293 9.293 8.467 0.826 19549 294 1 2 . 1 1 7 7 LYS N N 7 123.257 123.257 122.416 0.841 19549 295 1 2 . 1 1 7 7 LYS HA H 7 5.102 5.102 4.671 0.431 19549 296 1 2 . 1 1 7 7 LYS CA C 7 54.238 54.238 54.878 -0.640 19549 297 1 2 . 1 1 7 7 LYS CB C 7 34.302 34.302 34.752 -0.450 19549 298 1 2 . 1 1 7 7 LYS H H 7 9.412 9.412 9.089 0.323 19549 299 1 2 . 1 1 8 8 VAL N N 8 118.052 118.052 118.031 0.021 19549 300 1 2 . 1 1 8 8 VAL HA H 8 3.277 3.277 3.928 -0.651 19549 301 1 2 . 1 1 8 8 VAL CA C 8 65.940 65.940 63.341 2.599 19549 302 1 2 . 1 1 8 8 VAL CB C 8 31.648 31.648 31.174 0.474 19549 303 1 2 . 1 1 8 8 VAL H H 8 7.480 7.480 8.291 -0.811 19549 304 1 2 . 1 1 9 9 GLY N N 9 115.983 115.983 114.392 1.591 19549 305 1 2 . 1 1 9 9 GLY CA C 9 44.555 44.555 44.952 -0.397 19549 306 1 2 . 1 1 9 9 GLY H H 9 9.192 9.192 9.218 -0.026 19549 307 1 2 . 1 1 10 10 GLU N N 10 119.194 119.194 119.878 -0.684 19549 308 1 2 . 1 1 10 10 GLU HA H 10 4.886 4.886 4.764 0.122 19549 309 1 2 . 1 1 10 10 GLU CA C 10 55.870 55.870 54.552 1.318 19549 310 1 2 . 1 1 10 10 GLU CB C 10 33.038 33.038 32.373 0.665 19549 311 1 2 . 1 1 10 10 GLU H H 10 8.294 8.294 7.828 0.466 19549 312 1 2 . 1 1 11 11 SER N N 11 112.576 112.576 112.992 -0.416 19549 313 1 2 . 1 1 11 11 SER HA H 11 5.875 5.875 5.319 0.556 19549 314 1 2 . 1 1 11 11 SER CA C 11 58.033 58.033 57.204 0.829 19549 315 1 2 . 1 1 11 11 SER CB C 11 67.006 67.006 66.080 0.926 19549 316 1 2 . 1 1 11 11 SER H H 11 8.651 8.651 8.337 0.314 19549 317 1 2 . 1 1 12 12 ILE N N 12 124.514 124.514 119.362 5.152 19549 318 1 2 . 1 1 12 12 ILE HA H 12 4.383 4.383 4.456 -0.073 19549 319 1 2 . 1 1 12 12 ILE CA C 12 60.041 60.041 60.562 -0.520 19549 320 1 2 . 1 1 12 12 ILE CB C 12 42.818 42.818 42.914 -0.096 19549 321 1 2 . 1 1 12 12 ILE H H 12 9.266 9.266 8.778 0.488 19549 322 1 2 . 1 1 13 13 ASN N N 13 126.280 126.280 121.359 4.921 19549 323 1 2 . 1 1 13 13 ASN HA H 13 4.991 4.991 5.106 -0.115 19549 324 1 2 . 1 1 13 13 ASN CA C 13 53.546 53.546 52.204 1.342 19549 325 1 2 . 1 1 13 13 ASN CB C 13 41.558 41.558 41.975 -0.417 19549 326 1 2 . 1 1 13 13 ASN H H 13 9.360 9.360 8.408 0.952 19549 327 1 2 . 1 1 14 14 ILE N N 14 123.986 123.986 120.451 3.535 19549 328 1 2 . 1 1 14 14 ILE HA H 14 4.439 4.439 4.437 0.002 19549 329 1 2 . 1 1 14 14 ILE CA C 14 60.646 60.646 60.616 0.030 19549 330 1 2 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.654 -3.146 19549 331 1 2 . 1 1 14 14 ILE H H 14 8.425 8.425 8.531 -0.106 19549 332 1 2 . 1 1 15 15 GLY N N 15 115.388 115.388 112.595 2.793 19549 333 1 2 . 1 1 15 15 GLY CA C 15 46.004 46.004 46.509 -0.505 19549 334 1 2 . 1 1 15 15 GLY H H 15 9.067 9.067 8.594 0.473 19549 335 1 2 . 1 1 16 16 ASP N N 16 120.794 120.794 121.638 -0.844 19549 336 1 2 . 1 1 16 16 ASP HA H 16 4.958 4.958 4.729 0.229 19549 337 1 2 . 1 1 16 16 ASP CA C 16 55.353 55.353 54.349 1.004 19549 338 1 2 . 1 1 16 16 ASP CB C 16 42.388 42.388 41.444 0.945 19549 339 1 2 . 1 1 16 16 ASP H H 16 8.760 8.760 8.284 0.476 19549 340 1 2 . 1 1 17 17 ASP N N 17 115.630 115.630 119.025 -3.395 19549 341 1 2 . 1 1 17 17 ASP HA H 17 4.748 4.748 4.777 -0.029 19549 342 1 2 . 1 1 17 17 ASP CA C 17 54.200 54.200 53.926 0.274 19549 343 1 2 . 1 1 17 17 ASP CB C 17 42.610 42.610 43.598 -0.988 19549 344 1 2 . 1 1 17 17 ASP H H 17 8.159 8.159 7.946 0.213 19549 345 1 2 . 1 1 18 18 ILE N N 18 118.662 118.662 120.181 -1.519 19549 346 1 2 . 1 1 18 18 ILE HA H 18 5.229 5.229 5.265 -0.036 19549 347 1 2 . 1 1 18 18 ILE CA C 18 60.093 60.093 60.266 -0.173 19549 348 1 2 . 1 1 18 18 ILE CB C 18 39.842 39.842 42.089 -2.247 19549 349 1 2 . 1 1 18 18 ILE H H 18 7.168 7.168 7.720 -0.552 19549 350 1 2 . 1 1 19 19 THR N N 19 122.951 122.951 120.937 2.014 19549 351 1 2 . 1 1 19 19 THR HA H 19 5.125 5.125 4.977 0.148 19549 352 1 2 . 1 1 19 19 THR CA C 19 60.957 60.957 61.413 -0.456 19549 353 1 2 . 1 1 19 19 THR CB C 19 71.814 71.814 72.227 -0.413 19549 354 1 2 . 1 1 19 19 THR H H 19 8.929 8.929 8.840 0.089 19549 355 1 2 . 1 1 20 20 ILE N N 20 123.522 123.522 121.652 1.870 19549 356 1 2 . 1 1 20 20 ILE HA H 20 4.929 4.929 4.934 -0.005 19549 357 1 2 . 1 1 20 20 ILE CA C 20 58.829 58.829 59.328 -0.499 19549 358 1 2 . 1 1 20 20 ILE CB C 20 40.386 40.386 42.040 -1.654 19549 359 1 2 . 1 1 20 20 ILE H H 20 8.933 8.933 9.045 -0.112 19549 360 1 2 . 1 1 21 21 THR N N 21 123.651 123.651 120.063 3.588 19549 361 1 2 . 1 1 21 21 THR HA H 21 4.830 4.830 4.950 -0.120 19549 362 1 2 . 1 1 21 21 THR CA C 21 61.581 61.581 61.468 0.113 19549 363 1 2 . 1 1 21 21 THR CB C 21 72.037 72.037 72.324 -0.287 19549 364 1 2 . 1 1 21 21 THR H H 21 9.395 9.395 8.845 0.550 19549 365 1 2 . 1 1 22 22 ILE N N 22 125.699 125.699 126.591 -0.892 19549 366 1 2 . 1 1 22 22 ILE HA H 22 4.061 4.061 4.518 -0.457 19549 367 1 2 . 1 1 22 22 ILE CA C 22 59.160 59.160 58.404 0.756 19549 368 1 2 . 1 1 22 22 ILE CB C 22 33.845 33.845 38.369 -4.524 19549 369 1 2 . 1 1 22 22 ILE H H 22 8.108 8.108 8.437 -0.329 19549 370 1 2 . 1 1 23 23 LEU N N 23 129.578 129.578 129.348 0.230 19549 371 1 2 . 1 1 23 23 LEU HA H 23 4.594 4.594 4.337 0.257 19549 372 1 2 . 1 1 23 23 LEU CA C 23 56.030 56.030 56.209 -0.179 19549 373 1 2 . 1 1 23 23 LEU CB C 23 42.217 42.217 41.878 0.339 19549 374 1 2 . 1 1 23 23 LEU H H 23 8.756 8.756 8.583 0.173 19549 375 1 2 . 1 1 24 24 GLY N N 24 104.272 104.272 103.562 0.710 19549 376 1 2 . 1 1 24 24 GLY CA C 24 45.970 45.970 44.971 0.999 19549 377 1 2 . 1 1 24 24 GLY H H 24 7.514 7.514 7.701 -0.187 19549 378 1 2 . 1 1 25 25 VAL N N 25 120.134 120.134 116.201 3.933 19549 379 1 2 . 1 1 25 25 VAL HA H 25 4.647 4.647 5.016 -0.369 19549 380 1 2 . 1 1 25 25 VAL CA C 25 61.531 61.531 58.562 2.969 19549 381 1 2 . 1 1 25 25 VAL CB C 25 35.904 35.904 35.870 0.034 19549 382 1 2 . 1 1 25 25 VAL H H 25 8.395 8.395 8.240 0.155 19549 383 1 2 . 1 1 26 26 SER N N 26 121.285 121.285 117.429 3.856 19549 384 1 2 . 1 1 26 26 SER HA H 26 4.603 4.603 4.633 -0.030 19549 385 1 2 . 1 1 26 26 SER CA C 26 54.493 54.493 58.222 -3.729 19549 386 1 2 . 1 1 26 26 SER CB C 26 63.660 63.660 63.809 -0.149 19549 387 1 2 . 1 1 26 26 SER H H 26 8.572 8.572 8.782 -0.210 19549 388 1 2 . 1 1 27 27 GLY N N 27 118.284 118.284 118.083 0.201 19549 389 1 2 . 1 1 27 27 GLY CA C 27 47.497 47.497 46.360 1.137 19549 390 1 2 . 1 1 27 27 GLY H H 27 9.023 9.023 8.641 0.382 19549 391 1 2 . 1 1 28 28 GLN N N 28 124.451 124.451 123.276 1.175 19549 392 1 2 . 1 1 28 28 GLN HA H 28 4.279 4.279 4.502 -0.223 19549 393 1 2 . 1 1 28 28 GLN CA C 28 55.059 55.059 55.546 -0.487 19549 394 1 2 . 1 1 28 28 GLN CB C 28 29.318 29.318 29.771 -0.453 19549 395 1 2 . 1 1 28 28 GLN H H 28 8.677 8.677 8.622 0.055 19549 396 1 2 . 1 1 29 29 GLN N N 29 117.498 117.498 120.214 -2.716 19549 397 1 2 . 1 1 29 29 GLN HA H 29 4.634 4.634 4.338 0.296 19549 398 1 2 . 1 1 29 29 GLN CA C 29 55.294 55.294 56.356 -1.062 19549 399 1 2 . 1 1 29 29 GLN CB C 29 31.664 31.664 29.572 2.092 19549 400 1 2 . 1 1 29 29 GLN H H 29 8.008 8.008 7.722 0.286 19549 401 1 2 . 1 1 30 30 VAL N N 30 124.525 124.525 122.091 2.434 19549 402 1 2 . 1 1 30 30 VAL HA H 30 4.529 4.529 4.444 0.085 19549 403 1 2 . 1 1 30 30 VAL CA C 30 60.568 60.568 61.767 -1.199 19549 404 1 2 . 1 1 30 30 VAL CB C 30 34.606 34.606 33.536 1.070 19549 405 1 2 . 1 1 30 30 VAL H H 30 9.147 9.147 8.311 0.836 19549 406 1 2 . 1 1 31 31 ARG N N 31 128.593 128.593 128.523 0.070 19549 407 1 2 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.609 0.028 19549 408 1 2 . 1 1 31 31 ARG CA C 31 55.501 55.501 55.697 -0.196 19549 409 1 2 . 1 1 31 31 ARG CB C 31 31.889 31.889 31.268 0.621 19549 410 1 2 . 1 1 31 31 ARG H H 31 8.690 8.690 8.660 0.030 19549 411 1 2 . 1 1 32 32 ILE N N 32 127.666 127.666 123.703 3.963 19549 412 1 2 . 1 1 32 32 ILE HA H 32 4.613 4.613 4.874 -0.261 19549 413 1 2 . 1 1 32 32 ILE CA C 32 59.838 59.838 59.386 0.452 19549 414 1 2 . 1 1 32 32 ILE CB C 32 41.183 41.183 41.901 -0.718 19549 415 1 2 . 1 1 32 32 ILE H H 32 9.114 9.114 8.380 0.734 19549 416 1 2 . 1 1 33 33 GLY N N 33 112.830 112.830 111.251 1.579 19549 417 1 2 . 1 1 33 33 GLY CA C 33 44.730 44.730 43.882 0.848 19549 418 1 2 . 1 1 33 33 GLY H H 33 9.177 9.177 8.969 0.208 19549 419 1 2 . 1 1 34 34 ILE N N 34 125.226 125.226 120.089 5.137 19549 420 1 2 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.801 0.002 19549 421 1 2 . 1 1 34 34 ILE CA C 34 61.001 61.001 60.346 0.655 19549 422 1 2 . 1 1 34 34 ILE CB C 34 41.080 41.080 42.557 -1.477 19549 423 1 2 . 1 1 34 34 ILE H H 34 9.637 9.637 8.191 1.446 19549 424 1 2 . 1 1 35 35 ASN N N 35 129.590 129.590 123.914 5.676 19549 425 1 2 . 1 1 35 35 ASN HA H 35 5.094 5.094 4.985 0.109 19549 426 1 2 . 1 1 35 35 ASN CA C 35 52.185 52.185 52.715 -0.530 19549 427 1 2 . 1 1 35 35 ASN CB C 35 40.108 40.108 40.995 -0.886 19549 428 1 2 . 1 1 35 35 ASN H H 35 9.029 9.029 8.767 0.262 19549 429 1 2 . 1 1 36 36 ALA N N 36 125.688 125.688 128.060 -2.372 19549 430 1 2 . 1 1 36 36 ALA HA H 36 5.063 5.063 5.251 -0.188 19549 431 1 2 . 1 1 36 36 ALA CA C 36 49.365 49.365 49.533 -0.168 19549 432 1 2 . 1 1 36 36 ALA CB C 36 19.873 19.873 21.040 -1.167 19549 433 1 2 . 1 1 36 36 ALA H H 36 8.208 8.208 8.176 0.032 19549 434 1 2 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.547 -0.132 19549 435 1 2 . 1 1 37 37 PRO CA C 37 62.916 62.916 62.214 0.702 19549 436 1 2 . 1 1 37 37 PRO CB C 37 32.477 32.477 32.462 0.015 19549 437 1 2 . 1 1 38 38 LYS N N 38 121.103 121.103 120.625 0.478 19549 438 1 2 . 1 1 38 38 LYS HA H 38 3.825 3.825 4.120 -0.295 19549 439 1 2 . 1 1 38 38 LYS CA C 38 58.927 58.927 57.651 1.276 19549 440 1 2 . 1 1 38 38 LYS CB C 38 32.014 32.014 31.804 0.210 19549 441 1 2 . 1 1 38 38 LYS H H 38 8.550 8.550 8.473 0.077 19549 442 1 2 . 1 1 39 39 ASP N N 39 113.829 113.829 118.748 -4.919 19549 443 1 2 . 1 1 39 39 ASP HA H 39 4.374 4.374 4.492 -0.118 19549 444 1 2 . 1 1 39 39 ASP CA C 39 54.078 54.078 54.834 -0.756 19549 445 1 2 . 1 1 39 39 ASP CB C 39 39.822 39.822 41.087 -1.265 19549 446 1 2 . 1 1 39 39 ASP H H 39 8.143 8.143 8.253 -0.110 19549 447 1 2 . 1 1 40 40 VAL N N 40 122.624 122.624 114.302 8.322 19549 448 1 2 . 1 1 40 40 VAL HA H 40 3.980 3.980 4.469 -0.489 19549 449 1 2 . 1 1 40 40 VAL CA C 40 62.040 62.040 59.707 2.333 19549 450 1 2 . 1 1 40 40 VAL CB C 40 31.928 31.928 35.419 -3.491 19549 451 1 2 . 1 1 40 40 VAL H H 40 8.020 8.020 7.441 0.579 19549 452 1 2 . 1 1 41 41 ALA N N 41 133.718 133.718 124.969 8.749 19549 453 1 2 . 1 1 41 41 ALA HA H 41 4.474 4.474 4.880 -0.406 19549 454 1 2 . 1 1 41 41 ALA CA C 41 52.263 52.263 51.117 1.146 19549 455 1 2 . 1 1 41 41 ALA CB C 41 19.155 19.155 20.142 -0.987 19549 456 1 2 . 1 1 41 41 ALA H H 41 8.897 8.897 8.259 0.638 19549 457 1 2 . 1 1 42 42 VAL N N 42 125.194 125.194 120.556 4.638 19549 458 1 2 . 1 1 42 42 VAL HA H 42 4.434 4.434 4.298 0.136 19549 459 1 2 . 1 1 42 42 VAL CA C 42 60.771 60.771 61.545 -0.774 19549 460 1 2 . 1 1 42 42 VAL CB C 42 33.599 33.599 33.089 0.510 19549 461 1 2 . 1 1 42 42 VAL H H 42 7.847 7.847 7.901 -0.054 19549 462 1 2 . 1 1 43 43 HIS N N 43 118.938 118.938 124.739 -5.801 19549 463 1 2 . 1 1 43 43 HIS HA H 43 5.566 5.566 4.973 0.593 19549 464 1 2 . 1 1 43 43 HIS CA C 43 53.931 53.931 55.325 -1.394 19549 465 1 2 . 1 1 43 43 HIS CB C 43 37.649 37.649 31.747 5.902 19549 466 1 2 . 1 1 43 43 HIS H H 43 8.644 8.644 8.342 0.302 19549 467 1 2 . 1 1 44 44 ARG N N 44 122.301 122.301 120.988 1.313 19549 468 1 2 . 1 1 44 44 ARG HA H 44 3.970 3.970 4.492 -0.522 19549 469 1 2 . 1 1 44 44 ARG CA C 44 58.580 58.580 55.574 3.006 19549 470 1 2 . 1 1 44 44 ARG H H 44 8.828 8.828 8.573 0.255 19549 471 1 2 . 1 1 45 45 GLU N N 45 126.010 126.010 120.984 5.026 19549 472 1 2 . 1 1 45 45 GLU HA H 45 4.417 4.417 4.022 0.395 19549 473 1 2 . 1 1 45 45 GLU CA C 45 59.945 59.945 59.328 0.617 19549 474 1 2 . 1 1 45 45 GLU CB C 45 29.981 29.981 29.526 0.455 19549 475 1 2 . 1 1 45 45 GLU H H 45 7.895 7.895 8.921 -1.026 19549 476 1 2 . 1 1 46 46 GLU N N 46 118.177 118.177 118.540 -0.363 19549 477 1 2 . 1 1 46 46 GLU HA H 46 4.269 4.269 4.163 0.106 19549 478 1 2 . 1 1 46 46 GLU CA C 46 58.726 58.726 59.172 -0.446 19549 479 1 2 . 1 1 46 46 GLU CB C 46 27.085 27.085 29.497 -2.412 19549 480 1 2 . 1 1 46 46 GLU H H 46 10.765 10.765 8.614 2.151 19549 481 1 2 . 1 1 47 47 ILE N N 47 122.543 122.543 118.596 3.947 19549 482 1 2 . 1 1 47 47 ILE HA H 47 3.796 3.796 3.962 -0.166 19549 483 1 2 . 1 1 47 47 ILE CA C 47 61.102 61.102 61.428 -0.326 19549 484 1 2 . 1 1 47 47 ILE CB C 47 35.713 35.713 36.880 -1.167 19549 485 1 2 . 1 1 47 47 ILE H H 47 7.197 7.197 7.696 -0.499 19549 486 1 2 . 1 1 48 48 TYR N N 48 122.234 122.234 122.174 0.060 19549 487 1 2 . 1 1 48 48 TYR HA H 48 3.655 3.655 3.990 -0.335 19549 488 1 2 . 1 1 48 48 TYR CA C 48 62.312 62.312 62.306 0.006 19549 489 1 2 . 1 1 48 48 TYR CB C 48 39.249 39.249 38.214 1.035 19549 490 1 2 . 1 1 48 48 TYR H H 48 8.134 8.134 8.017 0.117 19549 491 1 2 . 1 1 49 49 GLN N N 49 115.293 115.293 115.380 -0.087 19549 492 1 2 . 1 1 49 49 GLN HA H 49 3.856 3.856 4.006 -0.150 19549 493 1 2 . 1 1 49 49 GLN CA C 49 58.599 58.599 58.281 0.318 19549 494 1 2 . 1 1 49 49 GLN CB C 49 28.265 28.265 28.383 -0.118 19549 495 1 2 . 1 1 49 49 GLN H H 49 8.658 8.658 8.269 0.389 19549 496 1 2 . 1 1 50 50 ARG N N 50 120.188 120.188 116.977 3.211 19549 497 1 2 . 1 1 50 50 ARG HA H 50 3.983 3.983 4.186 -0.203 19549 498 1 2 . 1 1 50 50 ARG CA C 50 59.219 59.219 57.208 2.011 19549 499 1 2 . 1 1 50 50 ARG CB C 50 30.367 30.367 30.105 0.262 19549 500 1 2 . 1 1 50 50 ARG H H 50 7.135 7.135 7.649 -0.514 19549 501 1 2 . 1 1 51 51 ILE N N 51 120.791 120.791 118.027 2.764 19549 502 1 2 . 1 1 51 51 ILE HA H 51 3.628 3.628 3.762 -0.134 19549 503 1 2 . 1 1 51 51 ILE CA C 51 64.528 64.528 62.913 1.615 19549 504 1 2 . 1 1 51 51 ILE CB C 51 38.019 38.019 37.170 0.849 19549 505 1 2 . 1 1 51 51 ILE H H 51 7.897 7.897 7.018 0.879 19549 506 1 2 . 1 1 52 52 GLN N N 52 118.963 118.963 117.641 1.322 19549 507 1 2 . 1 1 52 52 GLN HA H 52 3.808 3.808 4.134 -0.326 19549 508 1 2 . 1 1 52 52 GLN CA C 52 57.546 57.546 55.930 1.616 19549 509 1 2 . 1 1 52 52 GLN CB C 52 28.215 28.215 27.377 0.838 19549 510 1 2 . 1 1 52 52 GLN H H 52 7.915 7.915 7.585 0.330 19549 511 1 2 . 1 1 53 53 ALA N N 53 120.242 120.242 121.082 -0.840 19549 512 1 2 . 1 1 53 53 ALA HA H 53 4.190 4.190 4.179 0.011 19549 513 1 2 . 1 1 53 53 ALA CA C 53 53.069 53.069 53.054 0.015 19549 514 1 2 . 1 1 53 53 ALA CB C 53 18.757 18.757 19.033 -0.276 19549 515 1 2 . 1 1 53 53 ALA H H 53 7.558 7.558 7.843 -0.285 19549 516 1 2 . 1 1 54 54 GLY N N 54 105.982 105.982 105.040 0.942 19549 517 1 2 . 1 1 54 54 GLY CA C 54 45.670 45.670 45.066 0.604 19549 518 1 2 . 1 1 54 54 GLY H H 54 7.714 7.714 7.549 0.165 19549 519 1 2 . 1 1 55 55 LEU N N 55 120.632 120.632 114.698 5.934 19549 520 1 2 . 1 1 55 55 LEU HA H 55 4.320 4.320 4.863 -0.543 19549 521 1 2 . 1 1 55 55 LEU CA C 55 55.352 55.352 54.766 0.586 19549 522 1 2 . 1 1 55 55 LEU CB C 55 42.303 42.303 42.457 -0.154 19549 523 1 2 . 1 1 55 55 LEU H H 55 7.725 7.725 7.533 0.192 19549 524 1 2 . 1 1 56 56 THR N N 56 113.330 113.330 115.418 -2.088 19549 525 1 2 . 1 1 56 56 THR HA H 56 4.258 4.258 4.084 0.174 19549 526 1 2 . 1 1 56 56 THR CA C 56 61.410 61.410 64.869 -3.459 19549 527 1 2 . 1 1 56 56 THR CB C 56 70.101 70.101 68.640 1.461 19549 528 1 2 . 1 1 56 56 THR H H 56 7.902 7.902 8.220 -0.318 19549 529 1 2 . 1 1 57 57 ALA N N 57 127.054 127.054 123.853 3.201 19549 530 1 2 . 1 1 57 57 ALA HA H 57 4.475 4.475 4.628 -0.153 19549 531 1 2 . 1 1 57 57 ALA CA C 57 50.560 50.560 49.992 0.568 19549 532 1 2 . 1 1 57 57 ALA CB C 57 18.502 18.502 19.534 -1.032 19549 533 1 2 . 1 1 57 57 ALA H H 57 8.050 8.050 7.616 0.434 19549 534 1 2 . 1 1 58 58 PRO HA H 58 4.269 4.269 4.373 -0.104 19549 535 1 2 . 1 1 58 58 PRO CA C 58 63.723 63.723 62.345 1.378 19549 536 1 2 . 1 1 58 58 PRO CB C 58 31.907 31.907 32.415 -0.508 19549 537 1 3 . 1 1 2 2 LEU N N 2 124.131 124.131 125.617 -1.486 19549 538 1 3 . 1 1 2 2 LEU HA H 2 4.628 4.628 4.880 -0.252 19549 539 1 3 . 1 1 2 2 LEU CA C 2 54.587 54.587 54.520 0.067 19549 540 1 3 . 1 1 2 2 LEU CB C 2 42.584 42.584 43.313 -0.729 19549 541 1 3 . 1 1 2 2 LEU H H 2 8.398 8.398 8.465 -0.067 19549 542 1 3 . 1 1 3 3 ILE N N 3 130.553 130.553 122.694 7.859 19549 543 1 3 . 1 1 3 3 ILE HA H 3 5.008 5.008 4.352 0.656 19549 544 1 3 . 1 1 3 3 ILE CA C 3 60.327 60.327 61.412 -1.085 19549 545 1 3 . 1 1 3 3 ILE CB C 3 38.133 38.133 39.796 -1.663 19549 546 1 3 . 1 1 3 3 ILE H H 3 10.460 10.460 8.141 2.319 19549 547 1 3 . 1 1 4 4 LEU N N 4 125.358 125.358 124.803 0.555 19549 548 1 3 . 1 1 4 4 LEU HA H 4 4.963 4.963 4.816 0.147 19549 549 1 3 . 1 1 4 4 LEU CA C 4 52.865 52.865 53.992 -1.127 19549 550 1 3 . 1 1 4 4 LEU CB C 4 46.677 46.677 43.611 3.066 19549 551 1 3 . 1 1 4 4 LEU H H 4 8.905 8.905 8.301 0.604 19549 552 1 3 . 1 1 5 5 THR N N 5 116.751 116.751 116.080 0.671 19549 553 1 3 . 1 1 5 5 THR HA H 5 5.488 5.488 4.714 0.774 19549 554 1 3 . 1 1 5 5 THR CA C 5 60.717 60.717 61.665 -0.948 19549 555 1 3 . 1 1 5 5 THR CB C 5 69.781 69.781 69.859 -0.078 19549 556 1 3 . 1 1 5 5 THR H H 5 9.479 9.479 8.284 1.195 19549 557 1 3 . 1 1 6 6 ARG N N 6 124.665 124.665 122.369 2.296 19549 558 1 3 . 1 1 6 6 ARG HA H 6 4.989 4.989 4.853 0.136 19549 559 1 3 . 1 1 6 6 ARG CA C 6 55.266 55.266 54.778 0.488 19549 560 1 3 . 1 1 6 6 ARG CB C 6 38.593 38.593 33.811 4.782 19549 561 1 3 . 1 1 6 6 ARG H H 6 9.293 9.293 8.452 0.841 19549 562 1 3 . 1 1 7 7 LYS N N 7 123.257 123.257 119.333 3.924 19549 563 1 3 . 1 1 7 7 LYS HA H 7 5.102 5.102 4.732 0.370 19549 564 1 3 . 1 1 7 7 LYS CA C 7 54.238 54.238 55.010 -0.772 19549 565 1 3 . 1 1 7 7 LYS CB C 7 34.302 34.302 34.770 -0.468 19549 566 1 3 . 1 1 7 7 LYS H H 7 9.412 9.412 9.251 0.161 19549 567 1 3 . 1 1 8 8 VAL N N 8 118.052 118.052 117.889 0.163 19549 568 1 3 . 1 1 8 8 VAL HA H 8 3.277 3.277 3.807 -0.530 19549 569 1 3 . 1 1 8 8 VAL CA C 8 65.940 65.940 63.550 2.390 19549 570 1 3 . 1 1 8 8 VAL CB C 8 31.648 31.648 31.106 0.542 19549 571 1 3 . 1 1 8 8 VAL H H 8 7.480 7.480 8.355 -0.875 19549 572 1 3 . 1 1 9 9 GLY N N 9 115.983 115.983 114.384 1.599 19549 573 1 3 . 1 1 9 9 GLY CA C 9 44.555 44.555 44.821 -0.266 19549 574 1 3 . 1 1 9 9 GLY H H 9 9.192 9.192 9.247 -0.055 19549 575 1 3 . 1 1 10 10 GLU N N 10 119.194 119.194 119.886 -0.692 19549 576 1 3 . 1 1 10 10 GLU HA H 10 4.886 4.886 4.795 0.091 19549 577 1 3 . 1 1 10 10 GLU CA C 10 55.870 55.870 54.499 1.371 19549 578 1 3 . 1 1 10 10 GLU CB C 10 33.038 33.038 32.129 0.909 19549 579 1 3 . 1 1 10 10 GLU H H 10 8.294 8.294 7.901 0.393 19549 580 1 3 . 1 1 11 11 SER N N 11 112.576 112.576 113.097 -0.521 19549 581 1 3 . 1 1 11 11 SER HA H 11 5.875 5.875 5.347 0.528 19549 582 1 3 . 1 1 11 11 SER CA C 11 58.033 58.033 57.349 0.684 19549 583 1 3 . 1 1 11 11 SER CB C 11 67.006 67.006 66.339 0.667 19549 584 1 3 . 1 1 11 11 SER H H 11 8.651 8.651 8.374 0.277 19549 585 1 3 . 1 1 12 12 ILE N N 12 124.514 124.514 120.374 4.140 19549 586 1 3 . 1 1 12 12 ILE HA H 12 4.383 4.383 4.602 -0.219 19549 587 1 3 . 1 1 12 12 ILE CA C 12 60.041 60.041 59.610 0.431 19549 588 1 3 . 1 1 12 12 ILE CB C 12 42.818 42.818 42.739 0.079 19549 589 1 3 . 1 1 12 12 ILE H H 12 9.266 9.266 8.856 0.410 19549 590 1 3 . 1 1 13 13 ASN N N 13 126.280 126.280 120.749 5.531 19549 591 1 3 . 1 1 13 13 ASN HA H 13 4.991 4.991 5.149 -0.158 19549 592 1 3 . 1 1 13 13 ASN CA C 13 53.546 53.546 52.032 1.514 19549 593 1 3 . 1 1 13 13 ASN CB C 13 41.558 41.558 41.874 -0.316 19549 594 1 3 . 1 1 13 13 ASN H H 13 9.360 9.360 8.356 1.004 19549 595 1 3 . 1 1 14 14 ILE N N 14 123.986 123.986 121.624 2.362 19549 596 1 3 . 1 1 14 14 ILE HA H 14 4.439 4.439 4.439 0.000 19549 597 1 3 . 1 1 14 14 ILE CA C 14 60.646 60.646 60.737 -0.091 19549 598 1 3 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.677 -3.168 19549 599 1 3 . 1 1 14 14 ILE H H 14 8.425 8.425 8.562 -0.137 19549 600 1 3 . 1 1 15 15 GLY N N 15 115.388 115.388 113.082 2.306 19549 601 1 3 . 1 1 15 15 GLY CA C 15 46.004 46.004 46.108 -0.103 19549 602 1 3 . 1 1 15 15 GLY H H 15 9.067 9.067 8.627 0.440 19549 603 1 3 . 1 1 16 16 ASP N N 16 120.794 120.794 122.558 -1.764 19549 604 1 3 . 1 1 16 16 ASP HA H 16 4.958 4.958 4.732 0.226 19549 605 1 3 . 1 1 16 16 ASP CA C 16 55.353 55.353 54.346 1.007 19549 606 1 3 . 1 1 16 16 ASP CB C 16 42.388 42.388 41.792 0.596 19549 607 1 3 . 1 1 16 16 ASP H H 16 8.760 8.760 8.426 0.334 19549 608 1 3 . 1 1 17 17 ASP N N 17 115.630 115.630 119.794 -4.164 19549 609 1 3 . 1 1 17 17 ASP HA H 17 4.748 4.748 4.848 -0.100 19549 610 1 3 . 1 1 17 17 ASP CA C 17 54.200 54.200 54.090 0.110 19549 611 1 3 . 1 1 17 17 ASP CB C 17 42.610 42.610 43.750 -1.140 19549 612 1 3 . 1 1 17 17 ASP H H 17 8.159 8.159 7.955 0.204 19549 613 1 3 . 1 1 18 18 ILE N N 18 118.662 118.662 120.324 -1.662 19549 614 1 3 . 1 1 18 18 ILE HA H 18 5.229 5.229 5.168 0.061 19549 615 1 3 . 1 1 18 18 ILE CA C 18 60.093 60.093 60.357 -0.264 19549 616 1 3 . 1 1 18 18 ILE CB C 18 39.842 39.842 41.972 -2.130 19549 617 1 3 . 1 1 18 18 ILE H H 18 7.168 7.168 7.696 -0.528 19549 618 1 3 . 1 1 19 19 THR N N 19 122.951 122.951 121.636 1.315 19549 619 1 3 . 1 1 19 19 THR HA H 19 5.125 5.125 4.981 0.144 19549 620 1 3 . 1 1 19 19 THR CA C 19 60.957 60.957 61.515 -0.558 19549 621 1 3 . 1 1 19 19 THR CB C 19 71.814 71.814 72.342 -0.528 19549 622 1 3 . 1 1 19 19 THR H H 19 8.929 8.929 8.859 0.070 19549 623 1 3 . 1 1 20 20 ILE N N 20 123.522 123.522 122.294 1.228 19549 624 1 3 . 1 1 20 20 ILE HA H 20 4.929 4.929 4.976 -0.047 19549 625 1 3 . 1 1 20 20 ILE CA C 20 58.829 58.829 59.270 -0.441 19549 626 1 3 . 1 1 20 20 ILE CB C 20 40.386 40.386 41.911 -1.525 19549 627 1 3 . 1 1 20 20 ILE H H 20 8.933 8.933 8.954 -0.021 19549 628 1 3 . 1 1 21 21 THR N N 21 123.651 123.651 120.089 3.562 19549 629 1 3 . 1 1 21 21 THR HA H 21 4.830 4.830 5.035 -0.205 19549 630 1 3 . 1 1 21 21 THR CA C 21 61.581 61.581 61.511 0.070 19549 631 1 3 . 1 1 21 21 THR CB C 21 72.037 72.037 72.554 -0.517 19549 632 1 3 . 1 1 21 21 THR H H 21 9.395 9.395 8.926 0.469 19549 633 1 3 . 1 1 22 22 ILE N N 22 125.699 125.699 126.906 -1.207 19549 634 1 3 . 1 1 22 22 ILE HA H 22 4.061 4.061 4.509 -0.448 19549 635 1 3 . 1 1 22 22 ILE CA C 22 59.160 59.160 58.500 0.660 19549 636 1 3 . 1 1 22 22 ILE CB C 22 33.845 33.845 38.402 -4.557 19549 637 1 3 . 1 1 22 22 ILE H H 22 8.108 8.108 8.485 -0.377 19549 638 1 3 . 1 1 23 23 LEU N N 23 129.578 129.578 129.550 0.028 19549 639 1 3 . 1 1 23 23 LEU HA H 23 4.594 4.594 4.360 0.234 19549 640 1 3 . 1 1 23 23 LEU CA C 23 56.030 56.030 56.120 -0.090 19549 641 1 3 . 1 1 23 23 LEU CB C 23 42.217 42.217 41.931 0.286 19549 642 1 3 . 1 1 23 23 LEU H H 23 8.756 8.756 8.565 0.191 19549 643 1 3 . 1 1 24 24 GLY N N 24 104.272 104.272 103.653 0.619 19549 644 1 3 . 1 1 24 24 GLY CA C 24 45.970 45.970 44.982 0.988 19549 645 1 3 . 1 1 24 24 GLY H H 24 7.514 7.514 7.703 -0.189 19549 646 1 3 . 1 1 25 25 VAL N N 25 120.134 120.134 116.392 3.742 19549 647 1 3 . 1 1 25 25 VAL HA H 25 4.647 4.647 5.034 -0.387 19549 648 1 3 . 1 1 25 25 VAL CA C 25 61.531 61.531 58.512 3.019 19549 649 1 3 . 1 1 25 25 VAL CB C 25 35.904 35.904 35.846 0.058 19549 650 1 3 . 1 1 25 25 VAL H H 25 8.395 8.395 8.298 0.097 19549 651 1 3 . 1 1 26 26 SER N N 26 121.285 121.285 117.783 3.502 19549 652 1 3 . 1 1 26 26 SER HA H 26 4.603 4.603 4.674 -0.071 19549 653 1 3 . 1 1 26 26 SER CA C 26 54.493 54.493 57.911 -3.418 19549 654 1 3 . 1 1 26 26 SER CB C 26 63.660 63.660 64.064 -0.404 19549 655 1 3 . 1 1 26 26 SER H H 26 8.572 8.572 8.669 -0.097 19549 656 1 3 . 1 1 27 27 GLY N N 27 118.284 118.284 117.211 1.073 19549 657 1 3 . 1 1 27 27 GLY CA C 27 47.497 47.497 46.803 0.694 19549 658 1 3 . 1 1 27 27 GLY H H 27 9.023 9.023 8.738 0.285 19549 659 1 3 . 1 1 28 28 GLN N N 28 124.451 124.451 122.885 1.566 19549 660 1 3 . 1 1 28 28 GLN HA H 28 4.279 4.279 4.514 -0.235 19549 661 1 3 . 1 1 28 28 GLN CA C 28 55.059 55.059 55.377 -0.318 19549 662 1 3 . 1 1 28 28 GLN CB C 28 29.318 29.318 29.804 -0.486 19549 663 1 3 . 1 1 28 28 GLN H H 28 8.677 8.677 8.535 0.142 19549 664 1 3 . 1 1 29 29 GLN N N 29 117.498 117.498 120.701 -3.203 19549 665 1 3 . 1 1 29 29 GLN HA H 29 4.634 4.634 4.387 0.247 19549 666 1 3 . 1 1 29 29 GLN CA C 29 55.294 55.294 56.512 -1.218 19549 667 1 3 . 1 1 29 29 GLN CB C 29 31.664 31.664 29.862 1.802 19549 668 1 3 . 1 1 29 29 GLN H H 29 8.008 8.008 7.865 0.143 19549 669 1 3 . 1 1 30 30 VAL N N 30 124.525 124.525 122.271 2.254 19549 670 1 3 . 1 1 30 30 VAL HA H 30 4.529 4.529 4.498 0.031 19549 671 1 3 . 1 1 30 30 VAL CA C 30 60.568 60.568 61.445 -0.877 19549 672 1 3 . 1 1 30 30 VAL CB C 30 34.606 34.606 33.258 1.347 19549 673 1 3 . 1 1 30 30 VAL H H 30 9.147 9.147 8.323 0.824 19549 674 1 3 . 1 1 31 31 ARG N N 31 128.593 128.593 128.693 -0.100 19549 675 1 3 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.581 0.056 19549 676 1 3 . 1 1 31 31 ARG CA C 31 55.501 55.501 55.565 -0.064 19549 677 1 3 . 1 1 31 31 ARG CB C 31 31.889 31.889 31.438 0.451 19549 678 1 3 . 1 1 31 31 ARG H H 31 8.690 8.690 8.811 -0.121 19549 679 1 3 . 1 1 32 32 ILE N N 32 127.666 127.666 123.203 4.463 19549 680 1 3 . 1 1 32 32 ILE HA H 32 4.613 4.613 4.887 -0.274 19549 681 1 3 . 1 1 32 32 ILE CA C 32 59.838 59.838 59.368 0.470 19549 682 1 3 . 1 1 32 32 ILE CB C 32 41.183 41.183 41.955 -0.772 19549 683 1 3 . 1 1 32 32 ILE H H 32 9.114 9.114 8.390 0.724 19549 684 1 3 . 1 1 33 33 GLY N N 33 112.830 112.830 111.165 1.665 19549 685 1 3 . 1 1 33 33 GLY CA C 33 44.730 44.730 43.833 0.897 19549 686 1 3 . 1 1 33 33 GLY H H 33 9.177 9.177 8.991 0.186 19549 687 1 3 . 1 1 34 34 ILE N N 34 125.226 125.226 120.212 5.014 19549 688 1 3 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.820 -0.017 19549 689 1 3 . 1 1 34 34 ILE CA C 34 61.001 61.001 60.347 0.654 19549 690 1 3 . 1 1 34 34 ILE CB C 34 41.080 41.080 42.550 -1.470 19549 691 1 3 . 1 1 34 34 ILE H H 34 9.637 9.637 8.188 1.449 19549 692 1 3 . 1 1 35 35 ASN N N 35 129.590 129.590 124.117 5.473 19549 693 1 3 . 1 1 35 35 ASN HA H 35 5.094 5.094 4.986 0.108 19549 694 1 3 . 1 1 35 35 ASN CA C 35 52.185 52.185 52.656 -0.471 19549 695 1 3 . 1 1 35 35 ASN CB C 35 40.108 40.108 40.783 -0.675 19549 696 1 3 . 1 1 35 35 ASN H H 35 9.029 9.029 8.845 0.184 19549 697 1 3 . 1 1 36 36 ALA N N 36 125.688 125.688 128.149 -2.461 19549 698 1 3 . 1 1 36 36 ALA HA H 36 5.063 5.063 5.229 -0.166 19549 699 1 3 . 1 1 36 36 ALA CA C 36 49.365 49.365 49.567 -0.202 19549 700 1 3 . 1 1 36 36 ALA CB C 36 19.873 19.873 20.980 -1.107 19549 701 1 3 . 1 1 36 36 ALA H H 36 8.208 8.208 8.171 0.037 19549 702 1 3 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.576 -0.161 19549 703 1 3 . 1 1 37 37 PRO CA C 37 62.916 62.916 62.264 0.652 19549 704 1 3 . 1 1 37 37 PRO CB C 37 32.477 32.477 32.246 0.231 19549 705 1 3 . 1 1 38 38 LYS N N 38 121.103 121.103 120.618 0.485 19549 706 1 3 . 1 1 38 38 LYS HA H 38 3.825 3.825 4.126 -0.301 19549 707 1 3 . 1 1 38 38 LYS CA C 38 58.927 58.927 57.586 1.341 19549 708 1 3 . 1 1 38 38 LYS CB C 38 32.014 32.014 31.798 0.216 19549 709 1 3 . 1 1 38 38 LYS H H 38 8.550 8.550 8.468 0.082 19549 710 1 3 . 1 1 39 39 ASP N N 39 113.829 113.829 118.740 -4.911 19549 711 1 3 . 1 1 39 39 ASP HA H 39 4.374 4.374 4.490 -0.116 19549 712 1 3 . 1 1 39 39 ASP CA C 39 54.078 54.078 54.829 -0.751 19549 713 1 3 . 1 1 39 39 ASP CB C 39 39.822 39.822 41.074 -1.252 19549 714 1 3 . 1 1 39 39 ASP H H 39 8.143 8.143 8.259 -0.116 19549 715 1 3 . 1 1 40 40 VAL N N 40 122.624 122.624 114.207 8.417 19549 716 1 3 . 1 1 40 40 VAL HA H 40 3.980 3.980 4.476 -0.496 19549 717 1 3 . 1 1 40 40 VAL CA C 40 62.040 62.040 59.702 2.338 19549 718 1 3 . 1 1 40 40 VAL CB C 40 31.928 31.928 35.467 -3.539 19549 719 1 3 . 1 1 40 40 VAL H H 40 8.020 8.020 7.434 0.586 19549 720 1 3 . 1 1 41 41 ALA N N 41 133.718 133.718 124.514 9.204 19549 721 1 3 . 1 1 41 41 ALA HA H 41 4.474 4.474 4.886 -0.412 19549 722 1 3 . 1 1 41 41 ALA CA C 41 52.263 52.263 51.161 1.102 19549 723 1 3 . 1 1 41 41 ALA CB C 41 19.155 19.155 20.065 -0.910 19549 724 1 3 . 1 1 41 41 ALA H H 41 8.897 8.897 8.302 0.595 19549 725 1 3 . 1 1 42 42 VAL N N 42 125.194 125.194 120.093 5.101 19549 726 1 3 . 1 1 42 42 VAL HA H 42 4.434 4.434 4.250 0.184 19549 727 1 3 . 1 1 42 42 VAL CA C 42 60.771 60.771 61.692 -0.921 19549 728 1 3 . 1 1 42 42 VAL CB C 42 33.599 33.599 33.188 0.411 19549 729 1 3 . 1 1 42 42 VAL H H 42 7.847 7.847 7.837 0.010 19549 730 1 3 . 1 1 43 43 HIS N N 43 118.938 118.938 124.107 -5.169 19549 731 1 3 . 1 1 43 43 HIS HA H 43 5.566 5.566 4.958 0.608 19549 732 1 3 . 1 1 43 43 HIS CA C 43 53.931 53.931 55.220 -1.289 19549 733 1 3 . 1 1 43 43 HIS CB C 43 37.649 37.649 31.749 5.900 19549 734 1 3 . 1 1 43 43 HIS H H 43 8.644 8.644 8.289 0.355 19549 735 1 3 . 1 1 44 44 ARG N N 44 122.301 122.301 121.341 0.960 19549 736 1 3 . 1 1 44 44 ARG HA H 44 3.970 3.970 4.353 -0.383 19549 737 1 3 . 1 1 44 44 ARG CA C 44 58.580 58.580 55.873 2.708 19549 738 1 3 . 1 1 44 44 ARG H H 44 8.828 8.828 8.699 0.129 19549 739 1 3 . 1 1 45 45 GLU N N 45 126.010 126.010 122.088 3.922 19549 740 1 3 . 1 1 45 45 GLU HA H 45 4.417 4.417 4.035 0.382 19549 741 1 3 . 1 1 45 45 GLU CA C 45 59.945 59.945 59.504 0.441 19549 742 1 3 . 1 1 45 45 GLU CB C 45 29.981 29.981 29.800 0.181 19549 743 1 3 . 1 1 45 45 GLU H H 45 7.895 7.895 8.889 -0.994 19549 744 1 3 . 1 1 46 46 GLU N N 46 118.177 118.177 119.189 -1.012 19549 745 1 3 . 1 1 46 46 GLU HA H 46 4.269 4.269 4.171 0.098 19549 746 1 3 . 1 1 46 46 GLU CA C 46 58.726 58.726 58.983 -0.257 19549 747 1 3 . 1 1 46 46 GLU CB C 46 27.085 27.085 29.142 -2.058 19549 748 1 3 . 1 1 46 46 GLU H H 46 10.765 10.765 8.671 2.094 19549 749 1 3 . 1 1 47 47 ILE N N 47 122.543 122.543 119.426 3.117 19549 750 1 3 . 1 1 47 47 ILE HA H 47 3.796 3.796 3.922 -0.126 19549 751 1 3 . 1 1 47 47 ILE CA C 47 61.102 61.102 61.961 -0.859 19549 752 1 3 . 1 1 47 47 ILE CB C 47 35.713 35.713 37.004 -1.290 19549 753 1 3 . 1 1 47 47 ILE H H 47 7.197 7.197 7.529 -0.332 19549 754 1 3 . 1 1 48 48 TYR N N 48 122.234 122.234 121.699 0.535 19549 755 1 3 . 1 1 48 48 TYR HA H 48 3.655 3.655 4.033 -0.378 19549 756 1 3 . 1 1 48 48 TYR CA C 48 62.312 62.312 61.788 0.524 19549 757 1 3 . 1 1 48 48 TYR CB C 48 39.249 39.249 38.206 1.043 19549 758 1 3 . 1 1 48 48 TYR H H 48 8.134 8.134 8.314 -0.180 19549 759 1 3 . 1 1 49 49 GLN N N 49 115.293 115.293 117.111 -1.818 19549 760 1 3 . 1 1 49 49 GLN HA H 49 3.856 3.856 4.017 -0.161 19549 761 1 3 . 1 1 49 49 GLN CA C 49 58.599 58.599 57.918 0.681 19549 762 1 3 . 1 1 49 49 GLN CB C 49 28.265 28.265 28.444 -0.179 19549 763 1 3 . 1 1 49 49 GLN H H 49 8.658 8.658 7.790 0.868 19549 764 1 3 . 1 1 50 50 ARG N N 50 120.188 120.188 117.044 3.144 19549 765 1 3 . 1 1 50 50 ARG HA H 50 3.983 3.983 4.142 -0.159 19549 766 1 3 . 1 1 50 50 ARG CA C 50 59.219 59.219 57.543 1.676 19549 767 1 3 . 1 1 50 50 ARG CB C 50 30.367 30.367 30.104 0.263 19549 768 1 3 . 1 1 50 50 ARG H H 50 7.135 7.135 7.569 -0.434 19549 769 1 3 . 1 1 51 51 ILE N N 51 120.791 120.791 118.261 2.530 19549 770 1 3 . 1 1 51 51 ILE HA H 51 3.628 3.628 3.905 -0.277 19549 771 1 3 . 1 1 51 51 ILE CA C 51 64.528 64.528 63.030 1.498 19549 772 1 3 . 1 1 51 51 ILE CB C 51 38.019 38.019 38.532 -0.513 19549 773 1 3 . 1 1 51 51 ILE H H 51 7.897 7.897 7.238 0.659 19549 774 1 3 . 1 1 52 52 GLN N N 52 118.963 118.963 118.515 0.448 19549 775 1 3 . 1 1 52 52 GLN HA H 52 3.808 3.808 3.983 -0.175 19549 776 1 3 . 1 1 52 52 GLN CA C 52 57.546 57.546 56.303 1.243 19549 777 1 3 . 1 1 52 52 GLN CB C 52 28.215 28.215 27.492 0.723 19549 778 1 3 . 1 1 52 52 GLN H H 52 7.915 7.915 7.689 0.226 19549 779 1 3 . 1 1 53 53 ALA N N 53 120.242 120.242 120.406 -0.164 19549 780 1 3 . 1 1 53 53 ALA HA H 53 4.190 4.190 4.203 -0.013 19549 781 1 3 . 1 1 53 53 ALA CA C 53 53.069 53.069 52.765 0.304 19549 782 1 3 . 1 1 53 53 ALA CB C 53 18.757 18.757 18.806 -0.049 19549 783 1 3 . 1 1 53 53 ALA H H 53 7.558 7.558 7.672 -0.114 19549 784 1 3 . 1 1 54 54 GLY N N 54 105.982 105.982 104.533 1.449 19549 785 1 3 . 1 1 54 54 GLY CA C 54 45.670 45.670 44.928 0.742 19549 786 1 3 . 1 1 54 54 GLY H H 54 7.714 7.714 7.740 -0.026 19549 787 1 3 . 1 1 55 55 LEU N N 55 120.632 120.632 116.518 4.114 19549 788 1 3 . 1 1 55 55 LEU HA H 55 4.320 4.320 5.012 -0.692 19549 789 1 3 . 1 1 55 55 LEU CA C 55 55.352 55.352 53.653 1.699 19549 790 1 3 . 1 1 55 55 LEU CB C 55 42.303 42.303 42.597 -0.294 19549 791 1 3 . 1 1 55 55 LEU H H 55 7.725 7.725 7.789 -0.064 19549 792 1 3 . 1 1 56 56 THR N N 56 113.330 113.330 112.554 0.776 19549 793 1 3 . 1 1 56 56 THR HA H 56 4.258 4.258 4.429 -0.171 19549 794 1 3 . 1 1 56 56 THR CA C 56 61.410 61.410 61.822 -0.412 19549 795 1 3 . 1 1 56 56 THR CB C 56 70.101 70.101 69.782 0.319 19549 796 1 3 . 1 1 56 56 THR H H 56 7.902 7.902 8.322 -0.420 19549 797 1 3 . 1 1 57 57 ALA N N 57 127.054 127.054 124.628 2.426 19549 798 1 3 . 1 1 57 57 ALA HA H 57 4.475 4.475 4.743 -0.268 19549 799 1 3 . 1 1 57 57 ALA CA C 57 50.560 50.560 50.894 -0.334 19549 800 1 3 . 1 1 57 57 ALA CB C 57 18.502 18.502 19.367 -0.865 19549 801 1 3 . 1 1 57 57 ALA H H 57 8.050 8.050 7.796 0.254 19549 802 1 3 . 1 1 58 58 PRO HA H 58 4.269 4.269 4.380 -0.111 19549 803 1 3 . 1 1 58 58 PRO CA C 58 63.723 63.723 63.536 0.187 19549 804 1 3 . 1 1 58 58 PRO CB C 58 31.907 31.907 32.201 -0.294 19549 805 1 4 . 1 1 2 2 LEU N N 2 124.131 124.131 125.334 -1.203 19549 806 1 4 . 1 1 2 2 LEU HA H 2 4.628 4.628 5.147 -0.519 19549 807 1 4 . 1 1 2 2 LEU CA C 2 54.587 54.587 53.881 0.706 19549 808 1 4 . 1 1 2 2 LEU CB C 2 42.584 42.584 45.041 -2.457 19549 809 1 4 . 1 1 2 2 LEU H H 2 8.398 8.398 8.910 -0.512 19549 810 1 4 . 1 1 3 3 ILE N N 3 130.553 130.553 120.723 9.830 19549 811 1 4 . 1 1 3 3 ILE HA H 3 5.008 5.008 4.415 0.593 19549 812 1 4 . 1 1 3 3 ILE CA C 3 60.327 60.327 60.830 -0.503 19549 813 1 4 . 1 1 3 3 ILE CB C 3 38.133 38.133 39.110 -0.977 19549 814 1 4 . 1 1 3 3 ILE H H 3 10.460 10.460 8.047 2.413 19549 815 1 4 . 1 1 4 4 LEU N N 4 125.358 125.358 124.796 0.562 19549 816 1 4 . 1 1 4 4 LEU HA H 4 4.963 4.963 4.729 0.234 19549 817 1 4 . 1 1 4 4 LEU CA C 4 52.865 52.865 54.115 -1.250 19549 818 1 4 . 1 1 4 4 LEU CB C 4 46.677 46.677 44.339 2.338 19549 819 1 4 . 1 1 4 4 LEU H H 4 8.905 8.905 8.181 0.724 19549 820 1 4 . 1 1 5 5 THR N N 5 116.751 116.751 116.658 0.093 19549 821 1 4 . 1 1 5 5 THR HA H 5 5.488 5.488 4.627 0.861 19549 822 1 4 . 1 1 5 5 THR CA C 5 60.717 60.717 61.863 -1.146 19549 823 1 4 . 1 1 5 5 THR CB C 5 69.781 69.781 69.339 0.442 19549 824 1 4 . 1 1 5 5 THR H H 5 9.479 9.479 8.197 1.282 19549 825 1 4 . 1 1 6 6 ARG N N 6 124.665 124.665 126.578 -1.913 19549 826 1 4 . 1 1 6 6 ARG HA H 6 4.989 4.989 4.495 0.494 19549 827 1 4 . 1 1 6 6 ARG CA C 6 55.266 55.266 55.446 -0.180 19549 828 1 4 . 1 1 6 6 ARG CB C 6 38.593 38.593 32.469 6.124 19549 829 1 4 . 1 1 6 6 ARG H H 6 9.293 9.293 8.431 0.862 19549 830 1 4 . 1 1 7 7 LYS N N 7 123.257 123.257 122.301 0.956 19549 831 1 4 . 1 1 7 7 LYS HA H 7 5.102 5.102 4.684 0.418 19549 832 1 4 . 1 1 7 7 LYS CA C 7 54.238 54.238 54.981 -0.743 19549 833 1 4 . 1 1 7 7 LYS CB C 7 34.302 34.302 34.628 -0.326 19549 834 1 4 . 1 1 7 7 LYS H H 7 9.412 9.412 8.879 0.533 19549 835 1 4 . 1 1 8 8 VAL N N 8 118.052 118.052 118.645 -0.593 19549 836 1 4 . 1 1 8 8 VAL HA H 8 3.277 3.277 3.961 -0.684 19549 837 1 4 . 1 1 8 8 VAL CA C 8 65.940 65.940 63.413 2.527 19549 838 1 4 . 1 1 8 8 VAL CB C 8 31.648 31.648 30.684 0.964 19549 839 1 4 . 1 1 8 8 VAL H H 8 7.480 7.480 8.314 -0.834 19549 840 1 4 . 1 1 9 9 GLY N N 9 115.983 115.983 116.060 -0.077 19549 841 1 4 . 1 1 9 9 GLY CA C 9 44.555 44.555 44.897 -0.342 19549 842 1 4 . 1 1 9 9 GLY H H 9 9.192 9.192 9.217 -0.025 19549 843 1 4 . 1 1 10 10 GLU N N 10 119.194 119.194 120.134 -0.940 19549 844 1 4 . 1 1 10 10 GLU HA H 10 4.886 4.886 4.761 0.125 19549 845 1 4 . 1 1 10 10 GLU CA C 10 55.870 55.870 54.678 1.192 19549 846 1 4 . 1 1 10 10 GLU CB C 10 33.038 33.038 32.299 0.739 19549 847 1 4 . 1 1 10 10 GLU H H 10 8.294 8.294 7.837 0.457 19549 848 1 4 . 1 1 11 11 SER N N 11 112.576 112.576 113.103 -0.527 19549 849 1 4 . 1 1 11 11 SER HA H 11 5.875 5.875 5.305 0.570 19549 850 1 4 . 1 1 11 11 SER CA C 11 58.033 58.033 56.956 1.077 19549 851 1 4 . 1 1 11 11 SER CB C 11 67.006 67.006 66.102 0.904 19549 852 1 4 . 1 1 11 11 SER H H 11 8.651 8.651 8.328 0.323 19549 853 1 4 . 1 1 12 12 ILE N N 12 124.514 124.514 119.069 5.445 19549 854 1 4 . 1 1 12 12 ILE HA H 12 4.383 4.383 4.478 -0.095 19549 855 1 4 . 1 1 12 12 ILE CA C 12 60.041 60.041 60.411 -0.370 19549 856 1 4 . 1 1 12 12 ILE CB C 12 42.818 42.818 42.970 -0.152 19549 857 1 4 . 1 1 12 12 ILE H H 12 9.266 9.266 8.782 0.484 19549 858 1 4 . 1 1 13 13 ASN N N 13 126.280 126.280 120.106 6.174 19549 859 1 4 . 1 1 13 13 ASN HA H 13 4.991 4.991 5.141 -0.150 19549 860 1 4 . 1 1 13 13 ASN CA C 13 53.546 53.546 52.535 1.011 19549 861 1 4 . 1 1 13 13 ASN CB C 13 41.558 41.558 41.580 -0.022 19549 862 1 4 . 1 1 13 13 ASN H H 13 9.360 9.360 8.462 0.898 19549 863 1 4 . 1 1 14 14 ILE N N 14 123.986 123.986 120.359 3.627 19549 864 1 4 . 1 1 14 14 ILE HA H 14 4.439 4.439 4.501 -0.062 19549 865 1 4 . 1 1 14 14 ILE CA C 14 60.646 60.646 60.526 0.120 19549 866 1 4 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.719 -3.210 19549 867 1 4 . 1 1 14 14 ILE H H 14 8.425 8.425 8.314 0.111 19549 868 1 4 . 1 1 15 15 GLY N N 15 115.388 115.388 111.725 3.663 19549 869 1 4 . 1 1 15 15 GLY CA C 15 46.004 46.004 46.465 -0.461 19549 870 1 4 . 1 1 15 15 GLY H H 15 9.067 9.067 8.593 0.474 19549 871 1 4 . 1 1 16 16 ASP N N 16 120.794 120.794 121.681 -0.887 19549 872 1 4 . 1 1 16 16 ASP HA H 16 4.958 4.958 4.733 0.225 19549 873 1 4 . 1 1 16 16 ASP CA C 16 55.353 55.353 54.304 1.049 19549 874 1 4 . 1 1 16 16 ASP CB C 16 42.388 42.388 41.452 0.937 19549 875 1 4 . 1 1 16 16 ASP H H 16 8.760 8.760 8.281 0.479 19549 876 1 4 . 1 1 17 17 ASP N N 17 115.630 115.630 118.911 -3.281 19549 877 1 4 . 1 1 17 17 ASP HA H 17 4.748 4.748 4.782 -0.034 19549 878 1 4 . 1 1 17 17 ASP CA C 17 54.200 54.200 53.919 0.282 19549 879 1 4 . 1 1 17 17 ASP CB C 17 42.610 42.610 43.588 -0.978 19549 880 1 4 . 1 1 17 17 ASP H H 17 8.159 8.159 7.880 0.279 19549 881 1 4 . 1 1 18 18 ILE N N 18 118.662 118.662 120.285 -1.623 19549 882 1 4 . 1 1 18 18 ILE HA H 18 5.229 5.229 5.205 0.024 19549 883 1 4 . 1 1 18 18 ILE CA C 18 60.093 60.093 59.981 0.112 19549 884 1 4 . 1 1 18 18 ILE CB C 18 39.842 39.842 42.031 -2.189 19549 885 1 4 . 1 1 18 18 ILE H H 18 7.168 7.168 7.759 -0.591 19549 886 1 4 . 1 1 19 19 THR N N 19 122.951 122.951 120.983 1.968 19549 887 1 4 . 1 1 19 19 THR HA H 19 5.125 5.125 5.014 0.111 19549 888 1 4 . 1 1 19 19 THR CA C 19 60.957 60.957 61.456 -0.499 19549 889 1 4 . 1 1 19 19 THR CB C 19 71.814 71.814 72.528 -0.714 19549 890 1 4 . 1 1 19 19 THR H H 19 8.929 8.929 8.837 0.092 19549 891 1 4 . 1 1 20 20 ILE N N 20 123.522 123.522 121.938 1.584 19549 892 1 4 . 1 1 20 20 ILE HA H 20 4.929 4.929 4.899 0.030 19549 893 1 4 . 1 1 20 20 ILE CA C 20 58.829 58.829 59.299 -0.470 19549 894 1 4 . 1 1 20 20 ILE CB C 20 40.386 40.386 42.128 -1.742 19549 895 1 4 . 1 1 20 20 ILE H H 20 8.933 8.933 9.093 -0.160 19549 896 1 4 . 1 1 21 21 THR N N 21 123.651 123.651 119.456 4.195 19549 897 1 4 . 1 1 21 21 THR HA H 21 4.830 4.830 4.919 -0.089 19549 898 1 4 . 1 1 21 21 THR CA C 21 61.581 61.581 61.453 0.128 19549 899 1 4 . 1 1 21 21 THR CB C 21 72.037 72.037 72.226 -0.189 19549 900 1 4 . 1 1 21 21 THR H H 21 9.395 9.395 8.789 0.606 19549 901 1 4 . 1 1 22 22 ILE N N 22 125.699 125.699 126.687 -0.988 19549 902 1 4 . 1 1 22 22 ILE HA H 22 4.061 4.061 4.524 -0.463 19549 903 1 4 . 1 1 22 22 ILE CA C 22 59.160 59.160 58.300 0.860 19549 904 1 4 . 1 1 22 22 ILE CB C 22 33.845 33.845 38.155 -4.310 19549 905 1 4 . 1 1 22 22 ILE H H 22 8.108 8.108 8.537 -0.429 19549 906 1 4 . 1 1 23 23 LEU N N 23 129.578 129.578 128.946 0.632 19549 907 1 4 . 1 1 23 23 LEU HA H 23 4.594 4.594 4.284 0.310 19549 908 1 4 . 1 1 23 23 LEU CA C 23 56.030 56.030 56.340 -0.310 19549 909 1 4 . 1 1 23 23 LEU CB C 23 42.217 42.217 41.834 0.383 19549 910 1 4 . 1 1 23 23 LEU H H 23 8.756 8.756 8.414 0.342 19549 911 1 4 . 1 1 24 24 GLY N N 24 104.272 104.272 104.159 0.113 19549 912 1 4 . 1 1 24 24 GLY CA C 24 45.970 45.970 44.840 1.130 19549 913 1 4 . 1 1 24 24 GLY H H 24 7.514 7.514 7.603 -0.089 19549 914 1 4 . 1 1 25 25 VAL N N 25 120.134 120.134 116.386 3.748 19549 915 1 4 . 1 1 25 25 VAL HA H 25 4.647 4.647 4.995 -0.348 19549 916 1 4 . 1 1 25 25 VAL CA C 25 61.531 61.531 58.533 2.998 19549 917 1 4 . 1 1 25 25 VAL CB C 25 35.904 35.904 35.824 0.080 19549 918 1 4 . 1 1 25 25 VAL H H 25 8.395 8.395 8.237 0.158 19549 919 1 4 . 1 1 26 26 SER N N 26 121.285 121.285 117.603 3.682 19549 920 1 4 . 1 1 26 26 SER HA H 26 4.603 4.603 4.634 -0.031 19549 921 1 4 . 1 1 26 26 SER CA C 26 54.493 54.493 58.211 -3.718 19549 922 1 4 . 1 1 26 26 SER CB C 26 63.660 63.660 63.824 -0.164 19549 923 1 4 . 1 1 26 26 SER H H 26 8.572 8.572 8.781 -0.209 19549 924 1 4 . 1 1 27 27 GLY N N 27 118.284 118.284 117.853 0.431 19549 925 1 4 . 1 1 27 27 GLY CA C 27 47.497 47.497 46.257 1.240 19549 926 1 4 . 1 1 27 27 GLY H H 27 9.023 9.023 8.619 0.404 19549 927 1 4 . 1 1 28 28 GLN N N 28 124.451 124.451 122.882 1.569 19549 928 1 4 . 1 1 28 28 GLN HA H 28 4.279 4.279 4.499 -0.220 19549 929 1 4 . 1 1 28 28 GLN CA C 28 55.059 55.059 55.434 -0.375 19549 930 1 4 . 1 1 28 28 GLN CB C 28 29.318 29.318 29.871 -0.553 19549 931 1 4 . 1 1 28 28 GLN H H 28 8.677 8.677 8.555 0.122 19549 932 1 4 . 1 1 29 29 GLN N N 29 117.498 117.498 120.791 -3.293 19549 933 1 4 . 1 1 29 29 GLN HA H 29 4.634 4.634 4.371 0.263 19549 934 1 4 . 1 1 29 29 GLN CA C 29 55.294 55.294 56.735 -1.441 19549 935 1 4 . 1 1 29 29 GLN CB C 29 31.664 31.664 29.725 1.939 19549 936 1 4 . 1 1 29 29 GLN H H 29 8.008 8.008 7.667 0.341 19549 937 1 4 . 1 1 30 30 VAL N N 30 124.525 124.525 122.356 2.169 19549 938 1 4 . 1 1 30 30 VAL HA H 30 4.529 4.529 4.447 0.082 19549 939 1 4 . 1 1 30 30 VAL CA C 30 60.568 60.568 61.692 -1.124 19549 940 1 4 . 1 1 30 30 VAL CB C 30 34.606 34.606 34.261 0.345 19549 941 1 4 . 1 1 30 30 VAL H H 30 9.147 9.147 8.403 0.744 19549 942 1 4 . 1 1 31 31 ARG N N 31 128.593 128.593 127.805 0.788 19549 943 1 4 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.594 0.043 19549 944 1 4 . 1 1 31 31 ARG CA C 31 55.501 55.501 55.045 0.456 19549 945 1 4 . 1 1 31 31 ARG CB C 31 31.889 31.889 30.512 1.377 19549 946 1 4 . 1 1 31 31 ARG H H 31 8.690 8.690 8.596 0.094 19549 947 1 4 . 1 1 32 32 ILE N N 32 127.666 127.666 123.049 4.617 19549 948 1 4 . 1 1 32 32 ILE HA H 32 4.613 4.613 4.921 -0.308 19549 949 1 4 . 1 1 32 32 ILE CA C 32 59.838 59.838 59.395 0.443 19549 950 1 4 . 1 1 32 32 ILE CB C 32 41.183 41.183 41.935 -0.752 19549 951 1 4 . 1 1 32 32 ILE H H 32 9.114 9.114 8.430 0.684 19549 952 1 4 . 1 1 33 33 GLY N N 33 112.830 112.830 111.361 1.469 19549 953 1 4 . 1 1 33 33 GLY CA C 33 44.730 44.730 43.876 0.854 19549 954 1 4 . 1 1 33 33 GLY H H 33 9.177 9.177 8.985 0.192 19549 955 1 4 . 1 1 34 34 ILE N N 34 125.226 125.226 120.293 4.933 19549 956 1 4 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.762 0.041 19549 957 1 4 . 1 1 34 34 ILE CA C 34 61.001 61.001 60.395 0.606 19549 958 1 4 . 1 1 34 34 ILE CB C 34 41.080 41.080 42.536 -1.456 19549 959 1 4 . 1 1 34 34 ILE H H 34 9.637 9.637 8.201 1.436 19549 960 1 4 . 1 1 35 35 ASN N N 35 129.590 129.590 124.130 5.460 19549 961 1 4 . 1 1 35 35 ASN HA H 35 5.094 5.094 4.983 0.111 19549 962 1 4 . 1 1 35 35 ASN CA C 35 52.185 52.185 52.720 -0.535 19549 963 1 4 . 1 1 35 35 ASN CB C 35 40.108 40.108 40.951 -0.843 19549 964 1 4 . 1 1 35 35 ASN H H 35 9.029 9.029 8.844 0.185 19549 965 1 4 . 1 1 36 36 ALA N N 36 125.688 125.688 128.123 -2.435 19549 966 1 4 . 1 1 36 36 ALA HA H 36 5.063 5.063 5.167 -0.104 19549 967 1 4 . 1 1 36 36 ALA CA C 36 49.365 49.365 49.597 -0.232 19549 968 1 4 . 1 1 36 36 ALA CB C 36 19.873 19.873 20.993 -1.120 19549 969 1 4 . 1 1 36 36 ALA H H 36 8.208 8.208 8.176 0.032 19549 970 1 4 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.587 -0.172 19549 971 1 4 . 1 1 37 37 PRO CA C 37 62.916 62.916 62.237 0.679 19549 972 1 4 . 1 1 37 37 PRO CB C 37 32.477 32.477 32.270 0.207 19549 973 1 4 . 1 1 38 38 LYS N N 38 121.103 121.103 120.603 0.500 19549 974 1 4 . 1 1 38 38 LYS HA H 38 3.825 3.825 4.163 -0.338 19549 975 1 4 . 1 1 38 38 LYS CA C 38 58.927 58.927 57.622 1.305 19549 976 1 4 . 1 1 38 38 LYS CB C 38 32.014 32.014 31.871 0.143 19549 977 1 4 . 1 1 38 38 LYS H H 38 8.550 8.550 8.541 0.009 19549 978 1 4 . 1 1 39 39 ASP N N 39 113.829 113.829 119.134 -5.305 19549 979 1 4 . 1 1 39 39 ASP HA H 39 4.374 4.374 4.495 -0.121 19549 980 1 4 . 1 1 39 39 ASP CA C 39 54.078 54.078 55.129 -1.051 19549 981 1 4 . 1 1 39 39 ASP CB C 39 39.822 39.822 40.973 -1.151 19549 982 1 4 . 1 1 39 39 ASP H H 39 8.143 8.143 8.415 -0.272 19549 983 1 4 . 1 1 40 40 VAL N N 40 122.624 122.624 114.810 7.814 19549 984 1 4 . 1 1 40 40 VAL HA H 40 3.980 3.980 4.455 -0.475 19549 985 1 4 . 1 1 40 40 VAL CA C 40 62.040 62.040 59.746 2.294 19549 986 1 4 . 1 1 40 40 VAL CB C 40 31.928 31.928 35.017 -3.088 19549 987 1 4 . 1 1 40 40 VAL H H 40 8.020 8.020 7.482 0.538 19549 988 1 4 . 1 1 41 41 ALA N N 41 133.718 133.718 124.466 9.252 19549 989 1 4 . 1 1 41 41 ALA HA H 41 4.474 4.474 4.895 -0.421 19549 990 1 4 . 1 1 41 41 ALA CA C 41 52.263 52.263 51.136 1.127 19549 991 1 4 . 1 1 41 41 ALA CB C 41 19.155 19.155 20.129 -0.974 19549 992 1 4 . 1 1 41 41 ALA H H 41 8.897 8.897 8.302 0.595 19549 993 1 4 . 1 1 42 42 VAL N N 42 125.194 125.194 119.981 5.213 19549 994 1 4 . 1 1 42 42 VAL HA H 42 4.434 4.434 4.249 0.185 19549 995 1 4 . 1 1 42 42 VAL CA C 42 60.771 60.771 61.753 -0.982 19549 996 1 4 . 1 1 42 42 VAL CB C 42 33.599 33.599 33.183 0.416 19549 997 1 4 . 1 1 42 42 VAL H H 42 7.847 7.847 7.834 0.013 19549 998 1 4 . 1 1 43 43 HIS N N 43 118.938 118.938 123.957 -5.019 19549 999 1 4 . 1 1 43 43 HIS HA H 43 5.566 5.566 4.924 0.642 19549 1000 1 4 . 1 1 43 43 HIS CA C 43 53.931 53.931 55.186 -1.255 19549 1001 1 4 . 1 1 43 43 HIS CB C 43 37.649 37.649 31.809 5.840 19549 1002 1 4 . 1 1 43 43 HIS H H 43 8.644 8.644 8.333 0.311 19549 1003 1 4 . 1 1 44 44 ARG N N 44 122.301 122.301 121.673 0.628 19549 1004 1 4 . 1 1 44 44 ARG HA H 44 3.970 3.970 4.326 -0.356 19549 1005 1 4 . 1 1 44 44 ARG CA C 44 58.580 58.580 56.106 2.474 19549 1006 1 4 . 1 1 44 44 ARG H H 44 8.828 8.828 8.662 0.166 19549 1007 1 4 . 1 1 45 45 GLU N N 45 126.010 126.010 122.627 3.383 19549 1008 1 4 . 1 1 45 45 GLU HA H 45 4.417 4.417 4.026 0.391 19549 1009 1 4 . 1 1 45 45 GLU CA C 45 59.945 59.945 59.511 0.434 19549 1010 1 4 . 1 1 45 45 GLU CB C 45 29.981 29.981 29.621 0.360 19549 1011 1 4 . 1 1 45 45 GLU H H 45 7.895 7.895 8.954 -1.059 19549 1012 1 4 . 1 1 46 46 GLU N N 46 118.177 118.177 119.154 -0.977 19549 1013 1 4 . 1 1 46 46 GLU HA H 46 4.269 4.269 4.160 0.109 19549 1014 1 4 . 1 1 46 46 GLU CA C 46 58.726 58.726 59.413 -0.687 19549 1015 1 4 . 1 1 46 46 GLU CB C 46 27.085 27.085 29.379 -2.294 19549 1016 1 4 . 1 1 46 46 GLU H H 46 10.765 10.765 8.485 2.280 19549 1017 1 4 . 1 1 47 47 ILE N N 47 122.543 122.543 119.207 3.336 19549 1018 1 4 . 1 1 47 47 ILE HA H 47 3.796 3.796 3.872 -0.076 19549 1019 1 4 . 1 1 47 47 ILE CA C 47 61.102 61.102 63.214 -2.111 19549 1020 1 4 . 1 1 47 47 ILE CB C 47 35.713 35.713 37.638 -1.925 19549 1021 1 4 . 1 1 47 47 ILE H H 47 7.197 7.197 7.504 -0.307 19549 1022 1 4 . 1 1 48 48 TYR N N 48 122.234 122.234 121.560 0.674 19549 1023 1 4 . 1 1 48 48 TYR HA H 48 3.655 3.655 3.993 -0.338 19549 1024 1 4 . 1 1 48 48 TYR CA C 48 62.312 62.312 61.906 0.406 19549 1025 1 4 . 1 1 48 48 TYR CB C 48 39.249 39.249 38.218 1.031 19549 1026 1 4 . 1 1 48 48 TYR H H 48 8.134 8.134 8.580 -0.446 19549 1027 1 4 . 1 1 49 49 GLN N N 49 115.293 115.293 116.221 -0.928 19549 1028 1 4 . 1 1 49 49 GLN HA H 49 3.856 3.856 4.039 -0.183 19549 1029 1 4 . 1 1 49 49 GLN CA C 49 58.599 58.599 58.221 0.378 19549 1030 1 4 . 1 1 49 49 GLN CB C 49 28.265 28.265 28.548 -0.283 19549 1031 1 4 . 1 1 49 49 GLN H H 49 8.658 8.658 7.741 0.917 19549 1032 1 4 . 1 1 50 50 ARG N N 50 120.188 120.188 117.023 3.165 19549 1033 1 4 . 1 1 50 50 ARG HA H 50 3.983 3.983 4.164 -0.181 19549 1034 1 4 . 1 1 50 50 ARG CA C 50 59.219 59.219 57.490 1.728 19549 1035 1 4 . 1 1 50 50 ARG CB C 50 30.367 30.367 30.169 0.198 19549 1036 1 4 . 1 1 50 50 ARG H H 50 7.135 7.135 7.534 -0.399 19549 1037 1 4 . 1 1 51 51 ILE N N 51 120.791 120.791 118.309 2.482 19549 1038 1 4 . 1 1 51 51 ILE HA H 51 3.628 3.628 3.950 -0.322 19549 1039 1 4 . 1 1 51 51 ILE CA C 51 64.528 64.528 62.948 1.580 19549 1040 1 4 . 1 1 51 51 ILE CB C 51 38.019 38.019 38.656 -0.637 19549 1041 1 4 . 1 1 51 51 ILE H H 51 7.897 7.897 7.217 0.680 19549 1042 1 4 . 1 1 52 52 GLN N N 52 118.963 118.963 118.512 0.451 19549 1043 1 4 . 1 1 52 52 GLN HA H 52 3.808 3.808 4.001 -0.193 19549 1044 1 4 . 1 1 52 52 GLN CA C 52 57.546 57.546 56.155 1.391 19549 1045 1 4 . 1 1 52 52 GLN CB C 52 28.215 28.215 27.383 0.832 19549 1046 1 4 . 1 1 52 52 GLN H H 52 7.915 7.915 7.720 0.195 19549 1047 1 4 . 1 1 53 53 ALA N N 53 120.242 120.242 120.607 -0.365 19549 1048 1 4 . 1 1 53 53 ALA HA H 53 4.190 4.190 4.168 0.022 19549 1049 1 4 . 1 1 53 53 ALA CA C 53 53.069 53.069 52.917 0.152 19549 1050 1 4 . 1 1 53 53 ALA CB C 53 18.757 18.757 18.775 -0.018 19549 1051 1 4 . 1 1 53 53 ALA H H 53 7.558 7.558 7.706 -0.148 19549 1052 1 4 . 1 1 54 54 GLY N N 54 105.982 105.982 104.218 1.764 19549 1053 1 4 . 1 1 54 54 GLY CA C 54 45.670 45.670 44.921 0.749 19549 1054 1 4 . 1 1 54 54 GLY H H 54 7.714 7.714 7.729 -0.015 19549 1055 1 4 . 1 1 55 55 LEU N N 55 120.632 120.632 116.805 3.827 19549 1056 1 4 . 1 1 55 55 LEU HA H 55 4.320 4.320 5.029 -0.709 19549 1057 1 4 . 1 1 55 55 LEU CA C 55 55.352 55.352 53.519 1.833 19549 1058 1 4 . 1 1 55 55 LEU CB C 55 42.303 42.303 42.785 -0.482 19549 1059 1 4 . 1 1 55 55 LEU H H 55 7.725 7.725 7.841 -0.116 19549 1060 1 4 . 1 1 56 56 THR N N 56 113.330 113.330 112.741 0.589 19549 1061 1 4 . 1 1 56 56 THR HA H 56 4.258 4.258 4.423 -0.165 19549 1062 1 4 . 1 1 56 56 THR CA C 56 61.410 61.410 61.874 -0.464 19549 1063 1 4 . 1 1 56 56 THR CB C 56 70.101 70.101 69.553 0.548 19549 1064 1 4 . 1 1 56 56 THR H H 56 7.902 7.902 8.308 -0.406 19549 1065 1 4 . 1 1 57 57 ALA N N 57 127.054 127.054 124.357 2.697 19549 1066 1 4 . 1 1 57 57 ALA HA H 57 4.475 4.475 4.710 -0.235 19549 1067 1 4 . 1 1 57 57 ALA CA C 57 50.560 50.560 50.246 0.314 19549 1068 1 4 . 1 1 57 57 ALA CB C 57 18.502 18.502 20.203 -1.701 19549 1069 1 4 . 1 1 57 57 ALA H H 57 8.050 8.050 7.537 0.513 19549 1070 1 4 . 1 1 58 58 PRO HA H 58 4.269 4.269 4.360 -0.091 19549 1071 1 4 . 1 1 58 58 PRO CA C 58 63.723 63.723 62.285 1.438 19549 1072 1 4 . 1 1 58 58 PRO CB C 58 31.907 31.907 32.451 -0.544 19549 1073 1 5 . 1 1 2 2 LEU N N 2 124.131 124.131 125.842 -1.711 19549 1074 1 5 . 1 1 2 2 LEU HA H 2 4.628 4.628 5.151 -0.523 19549 1075 1 5 . 1 1 2 2 LEU CA C 2 54.587 54.587 53.864 0.723 19549 1076 1 5 . 1 1 2 2 LEU CB C 2 42.584 42.584 44.920 -2.336 19549 1077 1 5 . 1 1 2 2 LEU H H 2 8.398 8.398 8.913 -0.515 19549 1078 1 5 . 1 1 3 3 ILE N N 3 130.553 130.553 120.938 9.615 19549 1079 1 5 . 1 1 3 3 ILE HA H 3 5.008 5.008 4.419 0.589 19549 1080 1 5 . 1 1 3 3 ILE CA C 3 60.327 60.327 60.789 -0.462 19549 1081 1 5 . 1 1 3 3 ILE CB C 3 38.133 38.133 39.076 -0.943 19549 1082 1 5 . 1 1 3 3 ILE H H 3 10.460 10.460 8.055 2.405 19549 1083 1 5 . 1 1 4 4 LEU N N 4 125.358 125.358 125.104 0.254 19549 1084 1 5 . 1 1 4 4 LEU HA H 4 4.963 4.963 4.726 0.237 19549 1085 1 5 . 1 1 4 4 LEU CA C 4 52.865 52.865 54.238 -1.373 19549 1086 1 5 . 1 1 4 4 LEU CB C 4 46.677 46.677 44.310 2.367 19549 1087 1 5 . 1 1 4 4 LEU H H 4 8.905 8.905 8.188 0.717 19549 1088 1 5 . 1 1 5 5 THR N N 5 116.751 116.751 116.731 0.020 19549 1089 1 5 . 1 1 5 5 THR HA H 5 5.488 5.488 4.603 0.885 19549 1090 1 5 . 1 1 5 5 THR CA C 5 60.717 60.717 61.910 -1.193 19549 1091 1 5 . 1 1 5 5 THR CB C 5 69.781 69.781 69.231 0.550 19549 1092 1 5 . 1 1 5 5 THR H H 5 9.479 9.479 8.177 1.302 19549 1093 1 5 . 1 1 6 6 ARG N N 6 124.665 124.665 125.553 -0.888 19549 1094 1 5 . 1 1 6 6 ARG HA H 6 4.989 4.989 4.533 0.456 19549 1095 1 5 . 1 1 6 6 ARG CA C 6 55.266 55.266 55.441 -0.175 19549 1096 1 5 . 1 1 6 6 ARG CB C 6 38.593 38.593 32.313 6.280 19549 1097 1 5 . 1 1 6 6 ARG H H 6 9.293 9.293 8.349 0.944 19549 1098 1 5 . 1 1 7 7 LYS N N 7 123.257 123.257 121.769 1.488 19549 1099 1 5 . 1 1 7 7 LYS HA H 7 5.102 5.102 4.672 0.430 19549 1100 1 5 . 1 1 7 7 LYS CA C 7 54.238 54.238 54.952 -0.714 19549 1101 1 5 . 1 1 7 7 LYS CB C 7 34.302 34.302 34.622 -0.320 19549 1102 1 5 . 1 1 7 7 LYS H H 7 9.412 9.412 9.125 0.287 19549 1103 1 5 . 1 1 8 8 VAL N N 8 118.052 118.052 117.979 0.073 19549 1104 1 5 . 1 1 8 8 VAL HA H 8 3.277 3.277 4.088 -0.811 19549 1105 1 5 . 1 1 8 8 VAL CA C 8 65.940 65.940 63.178 2.763 19549 1106 1 5 . 1 1 8 8 VAL CB C 8 31.648 31.648 31.174 0.474 19549 1107 1 5 . 1 1 8 8 VAL H H 8 7.480 7.480 8.286 -0.806 19549 1108 1 5 . 1 1 9 9 GLY N N 9 115.983 115.983 114.586 1.397 19549 1109 1 5 . 1 1 9 9 GLY CA C 9 44.555 44.555 44.915 -0.360 19549 1110 1 5 . 1 1 9 9 GLY H H 9 9.192 9.192 9.161 0.031 19549 1111 1 5 . 1 1 10 10 GLU N N 10 119.194 119.194 120.038 -0.844 19549 1112 1 5 . 1 1 10 10 GLU HA H 10 4.886 4.886 4.756 0.130 19549 1113 1 5 . 1 1 10 10 GLU CA C 10 55.870 55.870 54.636 1.234 19549 1114 1 5 . 1 1 10 10 GLU CB C 10 33.038 33.038 32.273 0.765 19549 1115 1 5 . 1 1 10 10 GLU H H 10 8.294 8.294 7.824 0.470 19549 1116 1 5 . 1 1 11 11 SER N N 11 112.576 112.576 113.105 -0.529 19549 1117 1 5 . 1 1 11 11 SER HA H 11 5.875 5.875 5.217 0.658 19549 1118 1 5 . 1 1 11 11 SER CA C 11 58.033 58.033 56.986 1.047 19549 1119 1 5 . 1 1 11 11 SER CB C 11 67.006 67.006 66.117 0.889 19549 1120 1 5 . 1 1 11 11 SER H H 11 8.651 8.651 8.310 0.341 19549 1121 1 5 . 1 1 12 12 ILE N N 12 124.514 124.514 119.489 5.025 19549 1122 1 5 . 1 1 12 12 ILE HA H 12 4.383 4.383 4.529 -0.146 19549 1123 1 5 . 1 1 12 12 ILE CA C 12 60.041 60.041 60.094 -0.053 19549 1124 1 5 . 1 1 12 12 ILE CB C 12 42.818 42.818 42.730 0.089 19549 1125 1 5 . 1 1 12 12 ILE H H 12 9.266 9.266 8.761 0.505 19549 1126 1 5 . 1 1 13 13 ASN N N 13 126.280 126.280 119.832 6.448 19549 1127 1 5 . 1 1 13 13 ASN HA H 13 4.991 4.991 5.011 -0.020 19549 1128 1 5 . 1 1 13 13 ASN CA C 13 53.546 53.546 52.580 0.966 19549 1129 1 5 . 1 1 13 13 ASN CB C 13 41.558 41.558 41.657 -0.099 19549 1130 1 5 . 1 1 13 13 ASN H H 13 9.360 9.360 8.439 0.921 19549 1131 1 5 . 1 1 14 14 ILE N N 14 123.986 123.986 120.369 3.617 19549 1132 1 5 . 1 1 14 14 ILE HA H 14 4.439 4.439 4.489 -0.050 19549 1133 1 5 . 1 1 14 14 ILE CA C 14 60.646 60.646 60.565 0.081 19549 1134 1 5 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.779 -3.270 19549 1135 1 5 . 1 1 14 14 ILE H H 14 8.425 8.425 8.345 0.080 19549 1136 1 5 . 1 1 15 15 GLY N N 15 115.388 115.388 112.257 3.131 19549 1137 1 5 . 1 1 15 15 GLY CA C 15 46.004 46.004 46.181 -0.177 19549 1138 1 5 . 1 1 15 15 GLY H H 15 9.067 9.067 8.582 0.485 19549 1139 1 5 . 1 1 16 16 ASP N N 16 120.794 120.794 120.912 -0.118 19549 1140 1 5 . 1 1 16 16 ASP HA H 16 4.958 4.958 4.696 0.262 19549 1141 1 5 . 1 1 16 16 ASP CA C 16 55.353 55.353 54.144 1.209 19549 1142 1 5 . 1 1 16 16 ASP CB C 16 42.388 42.388 41.406 0.982 19549 1143 1 5 . 1 1 16 16 ASP H H 16 8.760 8.760 8.344 0.416 19549 1144 1 5 . 1 1 17 17 ASP N N 17 115.630 115.630 119.871 -4.241 19549 1145 1 5 . 1 1 17 17 ASP HA H 17 4.748 4.748 4.857 -0.109 19549 1146 1 5 . 1 1 17 17 ASP CA C 17 54.200 54.200 53.943 0.257 19549 1147 1 5 . 1 1 17 17 ASP CB C 17 42.610 42.610 43.821 -1.211 19549 1148 1 5 . 1 1 17 17 ASP H H 17 8.159 8.159 7.923 0.236 19549 1149 1 5 . 1 1 18 18 ILE N N 18 118.662 118.662 120.252 -1.590 19549 1150 1 5 . 1 1 18 18 ILE HA H 18 5.229 5.229 5.281 -0.052 19549 1151 1 5 . 1 1 18 18 ILE CA C 18 60.093 60.093 59.881 0.212 19549 1152 1 5 . 1 1 18 18 ILE CB C 18 39.842 39.842 42.081 -2.239 19549 1153 1 5 . 1 1 18 18 ILE H H 18 7.168 7.168 7.734 -0.566 19549 1154 1 5 . 1 1 19 19 THR N N 19 122.951 122.951 120.669 2.282 19549 1155 1 5 . 1 1 19 19 THR HA H 19 5.125 5.125 4.978 0.147 19549 1156 1 5 . 1 1 19 19 THR CA C 19 60.957 60.957 61.465 -0.508 19549 1157 1 5 . 1 1 19 19 THR CB C 19 71.814 71.814 72.532 -0.718 19549 1158 1 5 . 1 1 19 19 THR H H 19 8.929 8.929 8.776 0.153 19549 1159 1 5 . 1 1 20 20 ILE N N 20 123.522 123.522 122.019 1.503 19549 1160 1 5 . 1 1 20 20 ILE HA H 20 4.929 4.929 4.982 -0.053 19549 1161 1 5 . 1 1 20 20 ILE CA C 20 58.829 58.829 59.113 -0.284 19549 1162 1 5 . 1 1 20 20 ILE CB C 20 40.386 40.386 41.891 -1.504 19549 1163 1 5 . 1 1 20 20 ILE H H 20 8.933 8.933 9.181 -0.248 19549 1164 1 5 . 1 1 21 21 THR N N 21 123.651 123.651 119.939 3.712 19549 1165 1 5 . 1 1 21 21 THR HA H 21 4.830 4.830 4.958 -0.128 19549 1166 1 5 . 1 1 21 21 THR CA C 21 61.581 61.581 61.769 -0.188 19549 1167 1 5 . 1 1 21 21 THR CB C 21 72.037 72.037 72.418 -0.381 19549 1168 1 5 . 1 1 21 21 THR H H 21 9.395 9.395 8.831 0.564 19549 1169 1 5 . 1 1 22 22 ILE N N 22 125.699 125.699 125.847 -0.148 19549 1170 1 5 . 1 1 22 22 ILE HA H 22 4.061 4.061 4.749 -0.688 19549 1171 1 5 . 1 1 22 22 ILE CA C 22 59.160 59.160 58.318 0.842 19549 1172 1 5 . 1 1 22 22 ILE CB C 22 33.845 33.845 38.421 -4.576 19549 1173 1 5 . 1 1 22 22 ILE H H 22 8.108 8.108 8.309 -0.201 19549 1174 1 5 . 1 1 23 23 LEU N N 23 129.578 129.578 128.348 1.230 19549 1175 1 5 . 1 1 23 23 LEU HA H 23 4.594 4.594 4.359 0.235 19549 1176 1 5 . 1 1 23 23 LEU CA C 23 56.030 56.030 56.121 -0.091 19549 1177 1 5 . 1 1 23 23 LEU CB C 23 42.217 42.217 41.792 0.425 19549 1178 1 5 . 1 1 23 23 LEU H H 23 8.756 8.756 8.503 0.253 19549 1179 1 5 . 1 1 24 24 GLY N N 24 104.272 104.272 103.550 0.722 19549 1180 1 5 . 1 1 24 24 GLY CA C 24 45.970 45.970 44.982 0.988 19549 1181 1 5 . 1 1 24 24 GLY H H 24 7.514 7.514 7.683 -0.169 19549 1182 1 5 . 1 1 25 25 VAL N N 25 120.134 120.134 116.526 3.608 19549 1183 1 5 . 1 1 25 25 VAL HA H 25 4.647 4.647 5.040 -0.393 19549 1184 1 5 . 1 1 25 25 VAL CA C 25 61.531 61.531 58.482 3.049 19549 1185 1 5 . 1 1 25 25 VAL CB C 25 35.904 35.904 35.855 0.049 19549 1186 1 5 . 1 1 25 25 VAL H H 25 8.395 8.395 8.300 0.095 19549 1187 1 5 . 1 1 26 26 SER N N 26 121.285 121.285 117.970 3.315 19549 1188 1 5 . 1 1 26 26 SER HA H 26 4.603 4.603 4.669 -0.066 19549 1189 1 5 . 1 1 26 26 SER CA C 26 54.493 54.493 57.958 -3.465 19549 1190 1 5 . 1 1 26 26 SER CB C 26 63.660 63.660 64.000 -0.340 19549 1191 1 5 . 1 1 26 26 SER H H 26 8.572 8.572 8.789 -0.217 19549 1192 1 5 . 1 1 27 27 GLY N N 27 118.284 118.284 117.197 1.087 19549 1193 1 5 . 1 1 27 27 GLY CA C 27 47.497 47.497 46.636 0.861 19549 1194 1 5 . 1 1 27 27 GLY H H 27 9.023 9.023 8.718 0.305 19549 1195 1 5 . 1 1 28 28 GLN N N 28 124.451 124.451 122.753 1.698 19549 1196 1 5 . 1 1 28 28 GLN HA H 28 4.279 4.279 4.488 -0.209 19549 1197 1 5 . 1 1 28 28 GLN CA C 28 55.059 55.059 55.454 -0.395 19549 1198 1 5 . 1 1 28 28 GLN CB C 28 29.318 29.318 30.060 -0.742 19549 1199 1 5 . 1 1 28 28 GLN H H 28 8.677 8.677 8.537 0.140 19549 1200 1 5 . 1 1 29 29 GLN N N 29 117.498 117.498 120.865 -3.367 19549 1201 1 5 . 1 1 29 29 GLN HA H 29 4.634 4.634 4.390 0.244 19549 1202 1 5 . 1 1 29 29 GLN CA C 29 55.294 55.294 56.688 -1.394 19549 1203 1 5 . 1 1 29 29 GLN CB C 29 31.664 31.664 29.822 1.842 19549 1204 1 5 . 1 1 29 29 GLN H H 29 8.008 8.008 7.721 0.287 19549 1205 1 5 . 1 1 30 30 VAL N N 30 124.525 124.525 122.548 1.977 19549 1206 1 5 . 1 1 30 30 VAL HA H 30 4.529 4.529 4.443 0.086 19549 1207 1 5 . 1 1 30 30 VAL CA C 30 60.568 60.568 61.677 -1.109 19549 1208 1 5 . 1 1 30 30 VAL CB C 30 34.606 34.606 34.111 0.495 19549 1209 1 5 . 1 1 30 30 VAL H H 30 9.147 9.147 8.401 0.746 19549 1210 1 5 . 1 1 31 31 ARG N N 31 128.593 128.593 127.964 0.629 19549 1211 1 5 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.622 0.015 19549 1212 1 5 . 1 1 31 31 ARG CA C 31 55.501 55.501 54.681 0.820 19549 1213 1 5 . 1 1 31 31 ARG CB C 31 31.889 31.889 30.615 1.274 19549 1214 1 5 . 1 1 31 31 ARG H H 31 8.690 8.690 8.776 -0.086 19549 1215 1 5 . 1 1 32 32 ILE N N 32 127.666 127.666 123.116 4.550 19549 1216 1 5 . 1 1 32 32 ILE HA H 32 4.613 4.613 4.887 -0.274 19549 1217 1 5 . 1 1 32 32 ILE CA C 32 59.838 59.838 59.364 0.474 19549 1218 1 5 . 1 1 32 32 ILE CB C 32 41.183 41.183 42.041 -0.858 19549 1219 1 5 . 1 1 32 32 ILE H H 32 9.114 9.114 8.435 0.679 19549 1220 1 5 . 1 1 33 33 GLY N N 33 112.830 112.830 111.348 1.482 19549 1221 1 5 . 1 1 33 33 GLY CA C 33 44.730 44.730 43.749 0.981 19549 1222 1 5 . 1 1 33 33 GLY H H 33 9.177 9.177 8.919 0.258 19549 1223 1 5 . 1 1 34 34 ILE N N 34 125.226 125.226 120.494 4.732 19549 1224 1 5 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.752 0.051 19549 1225 1 5 . 1 1 34 34 ILE CA C 34 61.001 61.001 60.407 0.594 19549 1226 1 5 . 1 1 34 34 ILE CB C 34 41.080 41.080 42.375 -1.295 19549 1227 1 5 . 1 1 34 34 ILE H H 34 9.637 9.637 8.197 1.440 19549 1228 1 5 . 1 1 35 35 ASN N N 35 129.590 129.590 124.576 5.014 19549 1229 1 5 . 1 1 35 35 ASN HA H 35 5.094 5.094 4.983 0.111 19549 1230 1 5 . 1 1 35 35 ASN CA C 35 52.185 52.185 52.698 -0.513 19549 1231 1 5 . 1 1 35 35 ASN CB C 35 40.108 40.108 40.875 -0.767 19549 1232 1 5 . 1 1 35 35 ASN H H 35 9.029 9.029 8.763 0.266 19549 1233 1 5 . 1 1 36 36 ALA N N 36 125.688 125.688 128.038 -2.350 19549 1234 1 5 . 1 1 36 36 ALA HA H 36 5.063 5.063 5.233 -0.170 19549 1235 1 5 . 1 1 36 36 ALA CA C 36 49.365 49.365 49.514 -0.148 19549 1236 1 5 . 1 1 36 36 ALA CB C 36 19.873 19.873 21.023 -1.150 19549 1237 1 5 . 1 1 36 36 ALA H H 36 8.208 8.208 8.163 0.045 19549 1238 1 5 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.554 -0.139 19549 1239 1 5 . 1 1 37 37 PRO CA C 37 62.916 62.916 62.201 0.715 19549 1240 1 5 . 1 1 37 37 PRO CB C 37 32.477 32.477 32.467 0.011 19549 1241 1 5 . 1 1 38 38 LYS N N 38 121.103 121.103 120.524 0.579 19549 1242 1 5 . 1 1 38 38 LYS HA H 38 3.825 3.825 4.121 -0.296 19549 1243 1 5 . 1 1 38 38 LYS CA C 38 58.927 58.927 57.653 1.274 19549 1244 1 5 . 1 1 38 38 LYS CB C 38 32.014 32.014 31.793 0.221 19549 1245 1 5 . 1 1 38 38 LYS H H 38 8.550 8.550 8.472 0.078 19549 1246 1 5 . 1 1 39 39 ASP N N 39 113.829 113.829 118.726 -4.897 19549 1247 1 5 . 1 1 39 39 ASP HA H 39 4.374 4.374 4.500 -0.126 19549 1248 1 5 . 1 1 39 39 ASP CA C 39 54.078 54.078 54.769 -0.691 19549 1249 1 5 . 1 1 39 39 ASP CB C 39 39.822 39.822 41.088 -1.266 19549 1250 1 5 . 1 1 39 39 ASP H H 39 8.143 8.143 8.253 -0.110 19549 1251 1 5 . 1 1 40 40 VAL N N 40 122.624 122.624 114.393 8.231 19549 1252 1 5 . 1 1 40 40 VAL HA H 40 3.980 3.980 4.469 -0.489 19549 1253 1 5 . 1 1 40 40 VAL CA C 40 62.040 62.040 59.705 2.335 19549 1254 1 5 . 1 1 40 40 VAL CB C 40 31.928 31.928 35.400 -3.472 19549 1255 1 5 . 1 1 40 40 VAL H H 40 8.020 8.020 7.438 0.582 19549 1256 1 5 . 1 1 41 41 ALA N N 41 133.718 133.718 124.239 9.479 19549 1257 1 5 . 1 1 41 41 ALA HA H 41 4.474 4.474 4.928 -0.454 19549 1258 1 5 . 1 1 41 41 ALA CA C 41 52.263 52.263 50.965 1.298 19549 1259 1 5 . 1 1 41 41 ALA CB C 41 19.155 19.155 20.018 -0.863 19549 1260 1 5 . 1 1 41 41 ALA H H 41 8.897 8.897 8.329 0.568 19549 1261 1 5 . 1 1 42 42 VAL N N 42 125.194 125.194 119.979 5.215 19549 1262 1 5 . 1 1 42 42 VAL HA H 42 4.434 4.434 4.297 0.137 19549 1263 1 5 . 1 1 42 42 VAL CA C 42 60.771 60.771 61.410 -0.639 19549 1264 1 5 . 1 1 42 42 VAL CB C 42 33.599 33.599 33.083 0.516 19549 1265 1 5 . 1 1 42 42 VAL H H 42 7.847 7.847 7.920 -0.073 19549 1266 1 5 . 1 1 43 43 HIS N N 43 118.938 118.938 123.899 -4.961 19549 1267 1 5 . 1 1 43 43 HIS HA H 43 5.566 5.566 4.913 0.653 19549 1268 1 5 . 1 1 43 43 HIS CA C 43 53.931 53.931 55.241 -1.310 19549 1269 1 5 . 1 1 43 43 HIS CB C 43 37.649 37.649 31.859 5.790 19549 1270 1 5 . 1 1 43 43 HIS H H 43 8.644 8.644 8.385 0.259 19549 1271 1 5 . 1 1 44 44 ARG N N 44 122.301 122.301 121.267 1.034 19549 1272 1 5 . 1 1 44 44 ARG HA H 44 3.970 3.970 4.362 -0.392 19549 1273 1 5 . 1 1 44 44 ARG CA C 44 58.580 58.580 55.819 2.761 19549 1274 1 5 . 1 1 44 44 ARG H H 44 8.828 8.828 8.700 0.128 19549 1275 1 5 . 1 1 45 45 GLU N N 45 126.010 126.010 122.089 3.921 19549 1276 1 5 . 1 1 45 45 GLU HA H 45 4.417 4.417 4.045 0.372 19549 1277 1 5 . 1 1 45 45 GLU CA C 45 59.945 59.945 59.487 0.458 19549 1278 1 5 . 1 1 45 45 GLU CB C 45 29.981 29.981 29.685 0.296 19549 1279 1 5 . 1 1 45 45 GLU H H 45 7.895 7.895 8.892 -0.997 19549 1280 1 5 . 1 1 46 46 GLU N N 46 118.177 118.177 117.672 0.505 19549 1281 1 5 . 1 1 46 46 GLU HA H 46 4.269 4.269 4.179 0.090 19549 1282 1 5 . 1 1 46 46 GLU CA C 46 58.726 58.726 58.839 -0.113 19549 1283 1 5 . 1 1 46 46 GLU CB C 46 27.085 27.085 29.351 -2.266 19549 1284 1 5 . 1 1 46 46 GLU H H 46 10.765 10.765 8.538 2.227 19549 1285 1 5 . 1 1 47 47 ILE N N 47 122.543 122.543 118.443 4.100 19549 1286 1 5 . 1 1 47 47 ILE HA H 47 3.796 3.796 4.035 -0.239 19549 1287 1 5 . 1 1 47 47 ILE CA C 47 61.102 61.102 61.920 -0.818 19549 1288 1 5 . 1 1 47 47 ILE CB C 47 35.713 35.713 38.644 -2.931 19549 1289 1 5 . 1 1 47 47 ILE H H 47 7.197 7.197 7.575 -0.378 19549 1290 1 5 . 1 1 48 48 TYR N N 48 122.234 122.234 122.325 -0.091 19549 1291 1 5 . 1 1 48 48 TYR HA H 48 3.655 3.655 3.975 -0.320 19549 1292 1 5 . 1 1 48 48 TYR CA C 48 62.312 62.312 62.065 0.247 19549 1293 1 5 . 1 1 48 48 TYR CB C 48 39.249 39.249 38.239 1.010 19549 1294 1 5 . 1 1 48 48 TYR H H 48 8.134 8.134 8.602 -0.468 19549 1295 1 5 . 1 1 49 49 GLN N N 49 115.293 115.293 116.311 -1.018 19549 1296 1 5 . 1 1 49 49 GLN HA H 49 3.856 3.856 4.031 -0.175 19549 1297 1 5 . 1 1 49 49 GLN CA C 49 58.599 58.599 58.278 0.321 19549 1298 1 5 . 1 1 49 49 GLN CB C 49 28.265 28.265 28.484 -0.219 19549 1299 1 5 . 1 1 49 49 GLN H H 49 8.658 8.658 8.034 0.624 19549 1300 1 5 . 1 1 50 50 ARG N N 50 120.188 120.188 116.678 3.510 19549 1301 1 5 . 1 1 50 50 ARG HA H 50 3.983 3.983 4.168 -0.185 19549 1302 1 5 . 1 1 50 50 ARG CA C 50 59.219 59.219 57.383 1.836 19549 1303 1 5 . 1 1 50 50 ARG CB C 50 30.367 30.367 30.193 0.174 19549 1304 1 5 . 1 1 50 50 ARG H H 50 7.135 7.135 7.611 -0.476 19549 1305 1 5 . 1 1 51 51 ILE N N 51 120.791 120.791 117.954 2.837 19549 1306 1 5 . 1 1 51 51 ILE HA H 51 3.628 3.628 3.929 -0.301 19549 1307 1 5 . 1 1 51 51 ILE CA C 51 64.528 64.528 62.846 1.682 19549 1308 1 5 . 1 1 51 51 ILE CB C 51 38.019 38.019 38.650 -0.631 19549 1309 1 5 . 1 1 51 51 ILE H H 51 7.897 7.897 7.236 0.661 19549 1310 1 5 . 1 1 52 52 GLN N N 52 118.963 118.963 118.543 0.420 19549 1311 1 5 . 1 1 52 52 GLN HA H 52 3.808 3.808 3.998 -0.190 19549 1312 1 5 . 1 1 52 52 GLN CA C 52 57.546 57.546 56.193 1.353 19549 1313 1 5 . 1 1 52 52 GLN CB C 52 28.215 28.215 27.425 0.790 19549 1314 1 5 . 1 1 52 52 GLN H H 52 7.915 7.915 7.628 0.287 19549 1315 1 5 . 1 1 53 53 ALA N N 53 120.242 120.242 120.514 -0.272 19549 1316 1 5 . 1 1 53 53 ALA HA H 53 4.190 4.190 4.178 0.012 19549 1317 1 5 . 1 1 53 53 ALA CA C 53 53.069 53.069 52.857 0.212 19549 1318 1 5 . 1 1 53 53 ALA CB C 53 18.757 18.757 18.779 -0.022 19549 1319 1 5 . 1 1 53 53 ALA H H 53 7.558 7.558 7.718 -0.160 19549 1320 1 5 . 1 1 54 54 GLY N N 54 105.982 105.982 104.219 1.763 19549 1321 1 5 . 1 1 54 54 GLY CA C 54 45.670 45.670 44.929 0.740 19549 1322 1 5 . 1 1 54 54 GLY H H 54 7.714 7.714 7.737 -0.023 19549 1323 1 5 . 1 1 55 55 LEU N N 55 120.632 120.632 116.856 3.776 19549 1324 1 5 . 1 1 55 55 LEU HA H 55 4.320 4.320 5.024 -0.704 19549 1325 1 5 . 1 1 55 55 LEU CA C 55 55.352 55.352 53.752 1.601 19549 1326 1 5 . 1 1 55 55 LEU CB C 55 42.303 42.303 42.759 -0.456 19549 1327 1 5 . 1 1 55 55 LEU H H 55 7.725 7.725 7.794 -0.069 19549 1328 1 5 . 1 1 56 56 THR N N 56 113.330 113.330 112.500 0.830 19549 1329 1 5 . 1 1 56 56 THR HA H 56 4.258 4.258 4.385 -0.127 19549 1330 1 5 . 1 1 56 56 THR CA C 56 61.410 61.410 62.017 -0.607 19549 1331 1 5 . 1 1 56 56 THR CB C 56 70.101 70.101 69.476 0.625 19549 1332 1 5 . 1 1 56 56 THR H H 56 7.902 7.902 8.217 -0.315 19549 1333 1 5 . 1 1 57 57 ALA N N 57 127.054 127.054 124.360 2.694 19549 1334 1 5 . 1 1 57 57 ALA HA H 57 4.475 4.475 4.691 -0.216 19549 1335 1 5 . 1 1 57 57 ALA CA C 57 50.560 50.560 50.517 0.043 19549 1336 1 5 . 1 1 57 57 ALA CB C 57 18.502 18.502 19.945 -1.443 19549 1337 1 5 . 1 1 57 57 ALA H H 57 8.050 8.050 7.679 0.371 19549 1338 1 5 . 1 1 58 58 PRO HA H 58 4.269 4.269 4.416 -0.147 19549 1339 1 5 . 1 1 58 58 PRO CA C 58 63.723 63.723 62.768 0.955 19549 1340 1 5 . 1 1 58 58 PRO CB C 58 31.907 31.907 32.495 -0.588 19549 1341 1 6 . 1 1 2 2 LEU N N 2 124.131 124.131 124.758 -0.627 19549 1342 1 6 . 1 1 2 2 LEU HA H 2 4.628 4.628 4.903 -0.275 19549 1343 1 6 . 1 1 2 2 LEU CA C 2 54.587 54.587 54.177 0.410 19549 1344 1 6 . 1 1 2 2 LEU CB C 2 42.584 42.584 44.580 -1.996 19549 1345 1 6 . 1 1 2 2 LEU H H 2 8.398 8.398 8.282 0.116 19549 1346 1 6 . 1 1 3 3 ILE N N 3 130.553 130.553 122.185 8.368 19549 1347 1 6 . 1 1 3 3 ILE HA H 3 5.008 5.008 4.426 0.582 19549 1348 1 6 . 1 1 3 3 ILE CA C 3 60.327 60.327 60.881 -0.554 19549 1349 1 6 . 1 1 3 3 ILE CB C 3 38.133 38.133 39.138 -1.005 19549 1350 1 6 . 1 1 3 3 ILE H H 3 10.460 10.460 8.307 2.153 19549 1351 1 6 . 1 1 4 4 LEU N N 4 125.358 125.358 124.359 0.999 19549 1352 1 6 . 1 1 4 4 LEU HA H 4 4.963 4.963 4.745 0.218 19549 1353 1 6 . 1 1 4 4 LEU CA C 4 52.865 52.865 53.957 -1.092 19549 1354 1 6 . 1 1 4 4 LEU CB C 4 46.677 46.677 43.683 2.994 19549 1355 1 6 . 1 1 4 4 LEU H H 4 8.905 8.905 8.122 0.783 19549 1356 1 6 . 1 1 5 5 THR N N 5 116.751 116.751 115.868 0.883 19549 1357 1 6 . 1 1 5 5 THR HA H 5 5.488 5.488 4.696 0.792 19549 1358 1 6 . 1 1 5 5 THR CA C 5 60.717 60.717 61.828 -1.111 19549 1359 1 6 . 1 1 5 5 THR CB C 5 69.781 69.781 69.611 0.170 19549 1360 1 6 . 1 1 5 5 THR H H 5 9.479 9.479 8.236 1.243 19549 1361 1 6 . 1 1 6 6 ARG N N 6 124.665 124.665 122.856 1.809 19549 1362 1 6 . 1 1 6 6 ARG HA H 6 4.989 4.989 4.517 0.472 19549 1363 1 6 . 1 1 6 6 ARG CA C 6 55.266 55.266 55.575 -0.309 19549 1364 1 6 . 1 1 6 6 ARG CB C 6 38.593 38.593 31.965 6.628 19549 1365 1 6 . 1 1 6 6 ARG H H 6 9.293 9.293 8.366 0.927 19549 1366 1 6 . 1 1 7 7 LYS N N 7 123.257 123.257 124.447 -1.190 19549 1367 1 6 . 1 1 7 7 LYS HA H 7 5.102 5.102 4.718 0.384 19549 1368 1 6 . 1 1 7 7 LYS CA C 7 54.238 54.238 55.150 -0.912 19549 1369 1 6 . 1 1 7 7 LYS CB C 7 34.302 34.302 34.295 0.007 19549 1370 1 6 . 1 1 7 7 LYS H H 7 9.412 9.412 8.320 1.092 19549 1371 1 6 . 1 1 8 8 VAL N N 8 118.052 118.052 118.596 -0.544 19549 1372 1 6 . 1 1 8 8 VAL HA H 8 3.277 3.277 3.787 -0.510 19549 1373 1 6 . 1 1 8 8 VAL CA C 8 65.940 65.940 63.315 2.625 19549 1374 1 6 . 1 1 8 8 VAL CB C 8 31.648 31.648 30.990 0.658 19549 1375 1 6 . 1 1 8 8 VAL H H 8 7.480 7.480 8.261 -0.781 19549 1376 1 6 . 1 1 9 9 GLY N N 9 115.983 115.983 115.656 0.327 19549 1377 1 6 . 1 1 9 9 GLY CA C 9 44.555 44.555 45.035 -0.480 19549 1378 1 6 . 1 1 9 9 GLY H H 9 9.192 9.192 9.189 0.003 19549 1379 1 6 . 1 1 10 10 GLU N N 10 119.194 119.194 120.298 -1.104 19549 1380 1 6 . 1 1 10 10 GLU HA H 10 4.886 4.886 4.834 0.052 19549 1381 1 6 . 1 1 10 10 GLU CA C 10 55.870 55.870 54.221 1.649 19549 1382 1 6 . 1 1 10 10 GLU CB C 10 33.038 33.038 32.325 0.713 19549 1383 1 6 . 1 1 10 10 GLU H H 10 8.294 8.294 7.821 0.473 19549 1384 1 6 . 1 1 11 11 SER N N 11 112.576 112.576 113.402 -0.826 19549 1385 1 6 . 1 1 11 11 SER HA H 11 5.875 5.875 5.262 0.613 19549 1386 1 6 . 1 1 11 11 SER CA C 11 58.033 58.033 56.894 1.139 19549 1387 1 6 . 1 1 11 11 SER CB C 11 67.006 67.006 66.174 0.831 19549 1388 1 6 . 1 1 11 11 SER H H 11 8.651 8.651 8.361 0.290 19549 1389 1 6 . 1 1 12 12 ILE N N 12 124.514 124.514 119.808 4.706 19549 1390 1 6 . 1 1 12 12 ILE HA H 12 4.383 4.383 4.514 -0.131 19549 1391 1 6 . 1 1 12 12 ILE CA C 12 60.041 60.041 60.040 0.001 19549 1392 1 6 . 1 1 12 12 ILE CB C 12 42.818 42.818 42.927 -0.109 19549 1393 1 6 . 1 1 12 12 ILE H H 12 9.266 9.266 8.746 0.520 19549 1394 1 6 . 1 1 13 13 ASN N N 13 126.280 126.280 120.621 5.659 19549 1395 1 6 . 1 1 13 13 ASN HA H 13 4.991 4.991 5.088 -0.097 19549 1396 1 6 . 1 1 13 13 ASN CA C 13 53.546 53.546 52.505 1.041 19549 1397 1 6 . 1 1 13 13 ASN CB C 13 41.558 41.558 41.593 -0.035 19549 1398 1 6 . 1 1 13 13 ASN H H 13 9.360 9.360 8.470 0.890 19549 1399 1 6 . 1 1 14 14 ILE N N 14 123.986 123.986 120.680 3.306 19549 1400 1 6 . 1 1 14 14 ILE HA H 14 4.439 4.439 4.482 -0.043 19549 1401 1 6 . 1 1 14 14 ILE CA C 14 60.646 60.646 60.600 0.046 19549 1402 1 6 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.686 -3.177 19549 1403 1 6 . 1 1 14 14 ILE H H 14 8.425 8.425 8.503 -0.078 19549 1404 1 6 . 1 1 15 15 GLY N N 15 115.388 115.388 112.796 2.592 19549 1405 1 6 . 1 1 15 15 GLY CA C 15 46.004 46.004 46.206 -0.202 19549 1406 1 6 . 1 1 15 15 GLY H H 15 9.067 9.067 8.589 0.478 19549 1407 1 6 . 1 1 16 16 ASP N N 16 120.794 120.794 120.898 -0.104 19549 1408 1 6 . 1 1 16 16 ASP HA H 16 4.958 4.958 4.692 0.266 19549 1409 1 6 . 1 1 16 16 ASP CA C 16 55.353 55.353 54.138 1.215 19549 1410 1 6 . 1 1 16 16 ASP CB C 16 42.388 42.388 41.427 0.961 19549 1411 1 6 . 1 1 16 16 ASP H H 16 8.760 8.760 8.349 0.411 19549 1412 1 6 . 1 1 17 17 ASP N N 17 115.630 115.630 119.911 -4.281 19549 1413 1 6 . 1 1 17 17 ASP HA H 17 4.748 4.748 4.865 -0.117 19549 1414 1 6 . 1 1 17 17 ASP CA C 17 54.200 54.200 53.945 0.255 19549 1415 1 6 . 1 1 17 17 ASP CB C 17 42.610 42.610 43.814 -1.204 19549 1416 1 6 . 1 1 17 17 ASP H H 17 8.159 8.159 7.961 0.198 19549 1417 1 6 . 1 1 18 18 ILE N N 18 118.662 118.662 120.207 -1.545 19549 1418 1 6 . 1 1 18 18 ILE HA H 18 5.229 5.229 5.293 -0.064 19549 1419 1 6 . 1 1 18 18 ILE CA C 18 60.093 60.093 60.250 -0.157 19549 1420 1 6 . 1 1 18 18 ILE CB C 18 39.842 39.842 42.008 -2.166 19549 1421 1 6 . 1 1 18 18 ILE H H 18 7.168 7.168 7.703 -0.535 19549 1422 1 6 . 1 1 19 19 THR N N 19 122.951 122.951 121.086 1.865 19549 1423 1 6 . 1 1 19 19 THR HA H 19 5.125 5.125 4.992 0.133 19549 1424 1 6 . 1 1 19 19 THR CA C 19 60.957 60.957 61.446 -0.489 19549 1425 1 6 . 1 1 19 19 THR CB C 19 71.814 71.814 72.272 -0.458 19549 1426 1 6 . 1 1 19 19 THR H H 19 8.929 8.929 8.694 0.235 19549 1427 1 6 . 1 1 20 20 ILE N N 20 123.522 123.522 121.730 1.792 19549 1428 1 6 . 1 1 20 20 ILE HA H 20 4.929 4.929 4.959 -0.030 19549 1429 1 6 . 1 1 20 20 ILE CA C 20 58.829 58.829 59.053 -0.225 19549 1430 1 6 . 1 1 20 20 ILE CB C 20 40.386 40.386 41.809 -1.423 19549 1431 1 6 . 1 1 20 20 ILE H H 20 8.933 8.933 9.163 -0.230 19549 1432 1 6 . 1 1 21 21 THR N N 21 123.651 123.651 121.579 2.072 19549 1433 1 6 . 1 1 21 21 THR HA H 21 4.830 4.830 4.875 -0.045 19549 1434 1 6 . 1 1 21 21 THR CA C 21 61.581 61.581 61.972 -0.391 19549 1435 1 6 . 1 1 21 21 THR CB C 21 72.037 72.037 71.295 0.742 19549 1436 1 6 . 1 1 21 21 THR H H 21 9.395 9.395 8.889 0.506 19549 1437 1 6 . 1 1 22 22 ILE N N 22 125.699 125.699 128.532 -2.833 19549 1438 1 6 . 1 1 22 22 ILE HA H 22 4.061 4.061 4.275 -0.214 19549 1439 1 6 . 1 1 22 22 ILE CA C 22 59.160 59.160 59.264 -0.104 19549 1440 1 6 . 1 1 22 22 ILE CB C 22 33.845 33.845 38.087 -4.242 19549 1441 1 6 . 1 1 22 22 ILE H H 22 8.108 8.108 8.310 -0.202 19549 1442 1 6 . 1 1 23 23 LEU N N 23 129.578 129.578 129.363 0.215 19549 1443 1 6 . 1 1 23 23 LEU HA H 23 4.594 4.594 4.319 0.275 19549 1444 1 6 . 1 1 23 23 LEU CA C 23 56.030 56.030 56.050 -0.020 19549 1445 1 6 . 1 1 23 23 LEU CB C 23 42.217 42.217 41.929 0.288 19549 1446 1 6 . 1 1 23 23 LEU H H 23 8.756 8.756 8.574 0.182 19549 1447 1 6 . 1 1 24 24 GLY N N 24 104.272 104.272 104.650 -0.378 19549 1448 1 6 . 1 1 24 24 GLY CA C 24 45.970 45.970 44.757 1.213 19549 1449 1 6 . 1 1 24 24 GLY H H 24 7.514 7.514 7.610 -0.096 19549 1450 1 6 . 1 1 25 25 VAL N N 25 120.134 120.134 115.411 4.723 19549 1451 1 6 . 1 1 25 25 VAL HA H 25 4.647 4.647 4.990 -0.343 19549 1452 1 6 . 1 1 25 25 VAL CA C 25 61.531 61.531 58.843 2.688 19549 1453 1 6 . 1 1 25 25 VAL CB C 25 35.904 35.904 35.923 -0.019 19549 1454 1 6 . 1 1 25 25 VAL H H 25 8.395 8.395 8.335 0.060 19549 1455 1 6 . 1 1 26 26 SER N N 26 121.285 121.285 117.787 3.498 19549 1456 1 6 . 1 1 26 26 SER HA H 26 4.603 4.603 4.660 -0.057 19549 1457 1 6 . 1 1 26 26 SER CA C 26 54.493 54.493 57.788 -3.295 19549 1458 1 6 . 1 1 26 26 SER CB C 26 63.660 63.660 63.624 0.036 19549 1459 1 6 . 1 1 26 26 SER H H 26 8.572 8.572 8.796 -0.224 19549 1460 1 6 . 1 1 27 27 GLY N N 27 118.284 118.284 117.203 1.081 19549 1461 1 6 . 1 1 27 27 GLY CA C 27 47.497 47.497 46.450 1.047 19549 1462 1 6 . 1 1 27 27 GLY H H 27 9.023 9.023 8.661 0.362 19549 1463 1 6 . 1 1 28 28 GLN N N 28 124.451 124.451 123.024 1.427 19549 1464 1 6 . 1 1 28 28 GLN HA H 28 4.279 4.279 4.503 -0.224 19549 1465 1 6 . 1 1 28 28 GLN CA C 28 55.059 55.059 55.546 -0.487 19549 1466 1 6 . 1 1 28 28 GLN CB C 28 29.318 29.318 29.563 -0.245 19549 1467 1 6 . 1 1 28 28 GLN H H 28 8.677 8.677 8.478 0.199 19549 1468 1 6 . 1 1 29 29 GLN N N 29 117.498 117.498 120.806 -3.308 19549 1469 1 6 . 1 1 29 29 GLN HA H 29 4.634 4.634 4.382 0.252 19549 1470 1 6 . 1 1 29 29 GLN CA C 29 55.294 55.294 56.240 -0.946 19549 1471 1 6 . 1 1 29 29 GLN CB C 29 31.664 31.664 29.699 1.965 19549 1472 1 6 . 1 1 29 29 GLN H H 29 8.008 8.008 7.695 0.313 19549 1473 1 6 . 1 1 30 30 VAL N N 30 124.525 124.525 122.444 2.081 19549 1474 1 6 . 1 1 30 30 VAL HA H 30 4.529 4.529 4.503 0.026 19549 1475 1 6 . 1 1 30 30 VAL CA C 30 60.568 60.568 61.521 -0.953 19549 1476 1 6 . 1 1 30 30 VAL CB C 30 34.606 34.606 33.806 0.799 19549 1477 1 6 . 1 1 30 30 VAL H H 30 9.147 9.147 8.454 0.693 19549 1478 1 6 . 1 1 31 31 ARG N N 31 128.593 128.593 128.892 -0.299 19549 1479 1 6 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.526 0.111 19549 1480 1 6 . 1 1 31 31 ARG CA C 31 55.501 55.501 55.498 0.003 19549 1481 1 6 . 1 1 31 31 ARG CB C 31 31.889 31.889 31.329 0.560 19549 1482 1 6 . 1 1 31 31 ARG H H 31 8.690 8.690 8.704 -0.014 19549 1483 1 6 . 1 1 32 32 ILE N N 32 127.666 127.666 122.739 4.927 19549 1484 1 6 . 1 1 32 32 ILE HA H 32 4.613 4.613 4.955 -0.342 19549 1485 1 6 . 1 1 32 32 ILE CA C 32 59.838 59.838 59.366 0.472 19549 1486 1 6 . 1 1 32 32 ILE CB C 32 41.183 41.183 42.367 -1.184 19549 1487 1 6 . 1 1 32 32 ILE H H 32 9.114 9.114 8.373 0.741 19549 1488 1 6 . 1 1 33 33 GLY N N 33 112.830 112.830 110.907 1.923 19549 1489 1 6 . 1 1 33 33 GLY CA C 33 44.730 44.730 43.666 1.064 19549 1490 1 6 . 1 1 33 33 GLY H H 33 9.177 9.177 8.945 0.232 19549 1491 1 6 . 1 1 34 34 ILE N N 34 125.226 125.226 119.917 5.309 19549 1492 1 6 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.777 0.026 19549 1493 1 6 . 1 1 34 34 ILE CA C 34 61.001 61.001 60.372 0.629 19549 1494 1 6 . 1 1 34 34 ILE CB C 34 41.080 41.080 42.451 -1.371 19549 1495 1 6 . 1 1 34 34 ILE H H 34 9.637 9.637 8.179 1.458 19549 1496 1 6 . 1 1 35 35 ASN N N 35 129.590 129.590 124.158 5.432 19549 1497 1 6 . 1 1 35 35 ASN HA H 35 5.094 5.094 4.986 0.108 19549 1498 1 6 . 1 1 35 35 ASN CA C 35 52.185 52.185 52.732 -0.547 19549 1499 1 6 . 1 1 35 35 ASN CB C 35 40.108 40.108 40.880 -0.772 19549 1500 1 6 . 1 1 35 35 ASN H H 35 9.029 9.029 8.709 0.320 19549 1501 1 6 . 1 1 36 36 ALA N N 36 125.688 125.688 128.093 -2.405 19549 1502 1 6 . 1 1 36 36 ALA HA H 36 5.063 5.063 5.262 -0.199 19549 1503 1 6 . 1 1 36 36 ALA CA C 36 49.365 49.365 49.549 -0.184 19549 1504 1 6 . 1 1 36 36 ALA CB C 36 19.873 19.873 20.992 -1.119 19549 1505 1 6 . 1 1 36 36 ALA H H 36 8.208 8.208 8.171 0.037 19549 1506 1 6 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.582 -0.167 19549 1507 1 6 . 1 1 37 37 PRO CA C 37 62.916 62.916 62.249 0.667 19549 1508 1 6 . 1 1 37 37 PRO CB C 37 32.477 32.477 32.266 0.211 19549 1509 1 6 . 1 1 38 38 LYS N N 38 121.103 121.103 120.650 0.453 19549 1510 1 6 . 1 1 38 38 LYS HA H 38 3.825 3.825 4.144 -0.319 19549 1511 1 6 . 1 1 38 38 LYS CA C 38 58.927 58.927 57.752 1.175 19549 1512 1 6 . 1 1 38 38 LYS CB C 38 32.014 32.014 31.881 0.133 19549 1513 1 6 . 1 1 38 38 LYS H H 38 8.550 8.550 8.544 0.006 19549 1514 1 6 . 1 1 39 39 ASP N N 39 113.829 113.829 119.128 -5.299 19549 1515 1 6 . 1 1 39 39 ASP HA H 39 4.374 4.374 4.492 -0.118 19549 1516 1 6 . 1 1 39 39 ASP CA C 39 54.078 54.078 55.126 -1.048 19549 1517 1 6 . 1 1 39 39 ASP CB C 39 39.822 39.822 40.948 -1.126 19549 1518 1 6 . 1 1 39 39 ASP H H 39 8.143 8.143 8.423 -0.280 19549 1519 1 6 . 1 1 40 40 VAL N N 40 122.624 122.624 114.861 7.763 19549 1520 1 6 . 1 1 40 40 VAL HA H 40 3.980 3.980 4.453 -0.473 19549 1521 1 6 . 1 1 40 40 VAL CA C 40 62.040 62.040 59.685 2.354 19549 1522 1 6 . 1 1 40 40 VAL CB C 40 31.928 31.928 35.015 -3.087 19549 1523 1 6 . 1 1 40 40 VAL H H 40 8.020 8.020 7.478 0.542 19549 1524 1 6 . 1 1 41 41 ALA N N 41 133.718 133.718 124.012 9.706 19549 1525 1 6 . 1 1 41 41 ALA HA H 41 4.474 4.474 4.935 -0.461 19549 1526 1 6 . 1 1 41 41 ALA CA C 41 52.263 52.263 50.918 1.345 19549 1527 1 6 . 1 1 41 41 ALA CB C 41 19.155 19.155 20.192 -1.037 19549 1528 1 6 . 1 1 41 41 ALA H H 41 8.897 8.897 8.313 0.584 19549 1529 1 6 . 1 1 42 42 VAL N N 42 125.194 125.194 119.906 5.288 19549 1530 1 6 . 1 1 42 42 VAL HA H 42 4.434 4.434 4.327 0.107 19549 1531 1 6 . 1 1 42 42 VAL CA C 42 60.771 60.771 61.345 -0.574 19549 1532 1 6 . 1 1 42 42 VAL CB C 42 33.599 33.599 33.109 0.489 19549 1533 1 6 . 1 1 42 42 VAL H H 42 7.847 7.847 7.938 -0.091 19549 1534 1 6 . 1 1 43 43 HIS N N 43 118.938 118.938 123.442 -4.504 19549 1535 1 6 . 1 1 43 43 HIS HA H 43 5.566 5.566 4.875 0.691 19549 1536 1 6 . 1 1 43 43 HIS CA C 43 53.931 53.931 55.306 -1.375 19549 1537 1 6 . 1 1 43 43 HIS CB C 43 37.649 37.649 31.803 5.846 19549 1538 1 6 . 1 1 43 43 HIS H H 43 8.644 8.644 8.413 0.231 19549 1539 1 6 . 1 1 44 44 ARG N N 44 122.301 122.301 121.837 0.464 19549 1540 1 6 . 1 1 44 44 ARG HA H 44 3.970 3.970 4.366 -0.396 19549 1541 1 6 . 1 1 44 44 ARG CA C 44 58.580 58.580 56.002 2.578 19549 1542 1 6 . 1 1 44 44 ARG H H 44 8.828 8.828 8.634 0.194 19549 1543 1 6 . 1 1 45 45 GLU N N 45 126.010 126.010 122.877 3.133 19549 1544 1 6 . 1 1 45 45 GLU HA H 45 4.417 4.417 4.024 0.393 19549 1545 1 6 . 1 1 45 45 GLU CA C 45 59.945 59.945 59.535 0.410 19549 1546 1 6 . 1 1 45 45 GLU CB C 45 29.981 29.981 29.571 0.410 19549 1547 1 6 . 1 1 45 45 GLU H H 45 7.895 7.895 8.963 -1.068 19549 1548 1 6 . 1 1 46 46 GLU N N 46 118.177 118.177 118.202 -0.025 19549 1549 1 6 . 1 1 46 46 GLU HA H 46 4.269 4.269 4.143 0.126 19549 1550 1 6 . 1 1 46 46 GLU CA C 46 58.726 58.726 59.165 -0.439 19549 1551 1 6 . 1 1 46 46 GLU CB C 46 27.085 27.085 29.363 -2.278 19549 1552 1 6 . 1 1 46 46 GLU H H 46 10.765 10.765 8.594 2.171 19549 1553 1 6 . 1 1 47 47 ILE N N 47 122.543 122.543 119.356 3.187 19549 1554 1 6 . 1 1 47 47 ILE HA H 47 3.796 3.796 3.920 -0.124 19549 1555 1 6 . 1 1 47 47 ILE CA C 47 61.102 61.102 62.381 -1.279 19549 1556 1 6 . 1 1 47 47 ILE CB C 47 35.713 35.713 37.940 -2.227 19549 1557 1 6 . 1 1 47 47 ILE H H 47 7.197 7.197 7.670 -0.473 19549 1558 1 6 . 1 1 48 48 TYR N N 48 122.234 122.234 122.417 -0.183 19549 1559 1 6 . 1 1 48 48 TYR HA H 48 3.655 3.655 3.979 -0.324 19549 1560 1 6 . 1 1 48 48 TYR CA C 48 62.312 62.312 62.093 0.219 19549 1561 1 6 . 1 1 48 48 TYR CB C 48 39.249 39.249 38.154 1.095 19549 1562 1 6 . 1 1 48 48 TYR H H 48 8.134 8.134 8.517 -0.383 19549 1563 1 6 . 1 1 49 49 GLN N N 49 115.293 115.293 115.890 -0.597 19549 1564 1 6 . 1 1 49 49 GLN HA H 49 3.856 3.856 4.008 -0.152 19549 1565 1 6 . 1 1 49 49 GLN CA C 49 58.599 58.599 58.268 0.331 19549 1566 1 6 . 1 1 49 49 GLN CB C 49 28.265 28.265 28.593 -0.328 19549 1567 1 6 . 1 1 49 49 GLN H H 49 8.658 8.658 7.981 0.677 19549 1568 1 6 . 1 1 50 50 ARG N N 50 120.188 120.188 117.008 3.180 19549 1569 1 6 . 1 1 50 50 ARG HA H 50 3.983 3.983 4.187 -0.204 19549 1570 1 6 . 1 1 50 50 ARG CA C 50 59.219 59.219 57.189 2.030 19549 1571 1 6 . 1 1 50 50 ARG CB C 50 30.367 30.367 30.251 0.116 19549 1572 1 6 . 1 1 50 50 ARG H H 50 7.135 7.135 7.704 -0.569 19549 1573 1 6 . 1 1 51 51 ILE N N 51 120.791 120.791 118.095 2.696 19549 1574 1 6 . 1 1 51 51 ILE HA H 51 3.628 3.628 3.833 -0.205 19549 1575 1 6 . 1 1 51 51 ILE CA C 51 64.528 64.528 62.629 1.899 19549 1576 1 6 . 1 1 51 51 ILE CB C 51 38.019 38.019 37.315 0.704 19549 1577 1 6 . 1 1 51 51 ILE H H 51 7.897 7.897 6.902 0.995 19549 1578 1 6 . 1 1 52 52 GLN N N 52 118.963 118.963 117.838 1.125 19549 1579 1 6 . 1 1 52 52 GLN HA H 52 3.808 3.808 3.981 -0.173 19549 1580 1 6 . 1 1 52 52 GLN CA C 52 57.546 57.546 56.327 1.219 19549 1581 1 6 . 1 1 52 52 GLN CB C 52 28.215 28.215 27.133 1.083 19549 1582 1 6 . 1 1 52 52 GLN H H 52 7.915 7.915 7.643 0.272 19549 1583 1 6 . 1 1 53 53 ALA N N 53 120.242 120.242 120.821 -0.579 19549 1584 1 6 . 1 1 53 53 ALA HA H 53 4.190 4.190 4.161 0.029 19549 1585 1 6 . 1 1 53 53 ALA CA C 53 53.069 53.069 53.096 -0.027 19549 1586 1 6 . 1 1 53 53 ALA CB C 53 18.757 18.757 18.963 -0.206 19549 1587 1 6 . 1 1 53 53 ALA H H 53 7.558 7.558 7.843 -0.285 19549 1588 1 6 . 1 1 54 54 GLY N N 54 105.982 105.982 104.245 1.737 19549 1589 1 6 . 1 1 54 54 GLY CA C 54 45.670 45.670 44.972 0.698 19549 1590 1 6 . 1 1 54 54 GLY H H 54 7.714 7.714 7.757 -0.043 19549 1591 1 6 . 1 1 55 55 LEU N N 55 120.632 120.632 116.696 3.936 19549 1592 1 6 . 1 1 55 55 LEU HA H 55 4.320 4.320 5.018 -0.698 19549 1593 1 6 . 1 1 55 55 LEU CA C 55 55.352 55.352 53.779 1.573 19549 1594 1 6 . 1 1 55 55 LEU CB C 55 42.303 42.303 42.947 -0.644 19549 1595 1 6 . 1 1 55 55 LEU H H 55 7.725 7.725 7.861 -0.136 19549 1596 1 6 . 1 1 56 56 THR N N 56 113.330 113.330 112.526 0.804 19549 1597 1 6 . 1 1 56 56 THR HA H 56 4.258 4.258 4.390 -0.132 19549 1598 1 6 . 1 1 56 56 THR CA C 56 61.410 61.410 61.980 -0.570 19549 1599 1 6 . 1 1 56 56 THR CB C 56 70.101 70.101 69.475 0.626 19549 1600 1 6 . 1 1 56 56 THR H H 56 7.902 7.902 8.194 -0.292 19549 1601 1 6 . 1 1 57 57 ALA N N 57 127.054 127.054 124.202 2.852 19549 1602 1 6 . 1 1 57 57 ALA HA H 57 4.475 4.475 4.780 -0.305 19549 1603 1 6 . 1 1 57 57 ALA CA C 57 50.560 50.560 50.242 0.318 19549 1604 1 6 . 1 1 57 57 ALA CB C 57 18.502 18.502 20.349 -1.847 19549 1605 1 6 . 1 1 57 57 ALA H H 57 8.050 8.050 7.626 0.424 19549 1606 1 6 . 1 1 58 58 PRO HA H 58 4.269 4.269 4.390 -0.121 19549 1607 1 6 . 1 1 58 58 PRO CA C 58 63.723 63.723 62.344 1.379 19549 1608 1 6 . 1 1 58 58 PRO CB C 58 31.907 31.907 32.433 -0.526 19549 1609 1 7 . 1 1 2 2 LEU N N 2 124.131 124.131 125.490 -1.359 19549 1610 1 7 . 1 1 2 2 LEU HA H 2 4.628 4.628 5.150 -0.522 19549 1611 1 7 . 1 1 2 2 LEU CA C 2 54.587 54.587 53.839 0.748 19549 1612 1 7 . 1 1 2 2 LEU CB C 2 42.584 42.584 44.972 -2.388 19549 1613 1 7 . 1 1 2 2 LEU H H 2 8.398 8.398 8.915 -0.517 19549 1614 1 7 . 1 1 3 3 ILE N N 3 130.553 130.553 122.050 8.503 19549 1615 1 7 . 1 1 3 3 ILE HA H 3 5.008 5.008 4.411 0.597 19549 1616 1 7 . 1 1 3 3 ILE CA C 3 60.327 60.327 61.179 -0.852 19549 1617 1 7 . 1 1 3 3 ILE CB C 3 38.133 38.133 39.351 -1.218 19549 1618 1 7 . 1 1 3 3 ILE H H 3 10.460 10.460 8.459 2.001 19549 1619 1 7 . 1 1 4 4 LEU N N 4 125.358 125.358 124.830 0.528 19549 1620 1 7 . 1 1 4 4 LEU HA H 4 4.963 4.963 4.733 0.230 19549 1621 1 7 . 1 1 4 4 LEU CA C 4 52.865 52.865 54.086 -1.221 19549 1622 1 7 . 1 1 4 4 LEU CB C 4 46.677 46.677 44.525 2.152 19549 1623 1 7 . 1 1 4 4 LEU H H 4 8.905 8.905 8.285 0.620 19549 1624 1 7 . 1 1 5 5 THR N N 5 116.751 116.751 116.893 -0.142 19549 1625 1 7 . 1 1 5 5 THR HA H 5 5.488 5.488 4.626 0.862 19549 1626 1 7 . 1 1 5 5 THR CA C 5 60.717 60.717 61.858 -1.141 19549 1627 1 7 . 1 1 5 5 THR CB C 5 69.781 69.781 69.304 0.477 19549 1628 1 7 . 1 1 5 5 THR H H 5 9.479 9.479 8.195 1.284 19549 1629 1 7 . 1 1 6 6 ARG N N 6 124.665 124.665 126.835 -2.170 19549 1630 1 7 . 1 1 6 6 ARG HA H 6 4.989 4.989 4.578 0.411 19549 1631 1 7 . 1 1 6 6 ARG CA C 6 55.266 55.266 55.461 -0.195 19549 1632 1 7 . 1 1 6 6 ARG CB C 6 38.593 38.593 32.443 6.150 19549 1633 1 7 . 1 1 6 6 ARG H H 6 9.293 9.293 8.472 0.821 19549 1634 1 7 . 1 1 7 7 LYS N N 7 123.257 123.257 121.616 1.641 19549 1635 1 7 . 1 1 7 7 LYS HA H 7 5.102 5.102 4.666 0.436 19549 1636 1 7 . 1 1 7 7 LYS CA C 7 54.238 54.238 54.830 -0.591 19549 1637 1 7 . 1 1 7 7 LYS CB C 7 34.302 34.302 35.084 -0.782 19549 1638 1 7 . 1 1 7 7 LYS H H 7 9.412 9.412 9.187 0.225 19549 1639 1 7 . 1 1 8 8 VAL N N 8 118.052 118.052 118.345 -0.293 19549 1640 1 7 . 1 1 8 8 VAL HA H 8 3.277 3.277 3.953 -0.676 19549 1641 1 7 . 1 1 8 8 VAL CA C 8 65.940 65.940 63.357 2.583 19549 1642 1 7 . 1 1 8 8 VAL CB C 8 31.648 31.648 31.073 0.576 19549 1643 1 7 . 1 1 8 8 VAL H H 8 7.480 7.480 8.325 -0.845 19549 1644 1 7 . 1 1 9 9 GLY N N 9 115.983 115.983 114.652 1.331 19549 1645 1 7 . 1 1 9 9 GLY CA C 9 44.555 44.555 44.903 -0.348 19549 1646 1 7 . 1 1 9 9 GLY H H 9 9.192 9.192 9.171 0.021 19549 1647 1 7 . 1 1 10 10 GLU N N 10 119.194 119.194 119.951 -0.757 19549 1648 1 7 . 1 1 10 10 GLU HA H 10 4.886 4.886 4.796 0.090 19549 1649 1 7 . 1 1 10 10 GLU CA C 10 55.870 55.870 54.524 1.346 19549 1650 1 7 . 1 1 10 10 GLU CB C 10 33.038 33.038 32.098 0.940 19549 1651 1 7 . 1 1 10 10 GLU H H 10 8.294 8.294 7.886 0.408 19549 1652 1 7 . 1 1 11 11 SER N N 11 112.576 112.576 113.116 -0.540 19549 1653 1 7 . 1 1 11 11 SER HA H 11 5.875 5.875 5.269 0.606 19549 1654 1 7 . 1 1 11 11 SER CA C 11 58.033 58.033 57.349 0.684 19549 1655 1 7 . 1 1 11 11 SER CB C 11 67.006 67.006 66.291 0.715 19549 1656 1 7 . 1 1 11 11 SER H H 11 8.651 8.651 8.378 0.273 19549 1657 1 7 . 1 1 12 12 ILE N N 12 124.514 124.514 120.083 4.431 19549 1658 1 7 . 1 1 12 12 ILE HA H 12 4.383 4.383 4.532 -0.149 19549 1659 1 7 . 1 1 12 12 ILE CA C 12 60.041 60.041 60.089 -0.048 19549 1660 1 7 . 1 1 12 12 ILE CB C 12 42.818 42.818 42.722 0.096 19549 1661 1 7 . 1 1 12 12 ILE H H 12 9.266 9.266 8.840 0.426 19549 1662 1 7 . 1 1 13 13 ASN N N 13 126.280 126.280 120.121 6.159 19549 1663 1 7 . 1 1 13 13 ASN HA H 13 4.991 4.991 5.059 -0.068 19549 1664 1 7 . 1 1 13 13 ASN CA C 13 53.546 53.546 52.556 0.990 19549 1665 1 7 . 1 1 13 13 ASN CB C 13 41.558 41.558 41.647 -0.089 19549 1666 1 7 . 1 1 13 13 ASN H H 13 9.360 9.360 8.464 0.896 19549 1667 1 7 . 1 1 14 14 ILE N N 14 123.986 123.986 120.877 3.109 19549 1668 1 7 . 1 1 14 14 ILE HA H 14 4.439 4.439 4.485 -0.046 19549 1669 1 7 . 1 1 14 14 ILE CA C 14 60.646 60.646 60.578 0.068 19549 1670 1 7 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.681 -3.172 19549 1671 1 7 . 1 1 14 14 ILE H H 14 8.425 8.425 8.316 0.109 19549 1672 1 7 . 1 1 15 15 GLY N N 15 115.388 115.388 112.725 2.663 19549 1673 1 7 . 1 1 15 15 GLY CA C 15 46.004 46.004 46.168 -0.164 19549 1674 1 7 . 1 1 15 15 GLY H H 15 9.067 9.067 8.589 0.478 19549 1675 1 7 . 1 1 16 16 ASP N N 16 120.794 120.794 120.886 -0.092 19549 1676 1 7 . 1 1 16 16 ASP HA H 16 4.958 4.958 4.690 0.268 19549 1677 1 7 . 1 1 16 16 ASP CA C 16 55.353 55.353 54.138 1.216 19549 1678 1 7 . 1 1 16 16 ASP CB C 16 42.388 42.388 41.439 0.949 19549 1679 1 7 . 1 1 16 16 ASP H H 16 8.760 8.760 8.351 0.409 19549 1680 1 7 . 1 1 17 17 ASP N N 17 115.630 115.630 119.949 -4.319 19549 1681 1 7 . 1 1 17 17 ASP HA H 17 4.748 4.748 4.862 -0.114 19549 1682 1 7 . 1 1 17 17 ASP CA C 17 54.200 54.200 53.934 0.266 19549 1683 1 7 . 1 1 17 17 ASP CB C 17 42.610 42.610 43.786 -1.176 19549 1684 1 7 . 1 1 17 17 ASP H H 17 8.159 8.159 7.980 0.179 19549 1685 1 7 . 1 1 18 18 ILE N N 18 118.662 118.662 120.124 -1.462 19549 1686 1 7 . 1 1 18 18 ILE HA H 18 5.229 5.229 5.239 -0.010 19549 1687 1 7 . 1 1 18 18 ILE CA C 18 60.093 60.093 60.209 -0.116 19549 1688 1 7 . 1 1 18 18 ILE CB C 18 39.842 39.842 42.071 -2.229 19549 1689 1 7 . 1 1 18 18 ILE H H 18 7.168 7.168 7.702 -0.534 19549 1690 1 7 . 1 1 19 19 THR N N 19 122.951 122.951 120.878 2.073 19549 1691 1 7 . 1 1 19 19 THR HA H 19 5.125 5.125 4.984 0.141 19549 1692 1 7 . 1 1 19 19 THR CA C 19 60.957 60.957 61.456 -0.499 19549 1693 1 7 . 1 1 19 19 THR CB C 19 71.814 71.814 72.248 -0.434 19549 1694 1 7 . 1 1 19 19 THR H H 19 8.929 8.929 8.793 0.136 19549 1695 1 7 . 1 1 20 20 ILE N N 20 123.522 123.522 121.693 1.829 19549 1696 1 7 . 1 1 20 20 ILE HA H 20 4.929 4.929 4.931 -0.002 19549 1697 1 7 . 1 1 20 20 ILE CA C 20 58.829 58.829 59.139 -0.310 19549 1698 1 7 . 1 1 20 20 ILE CB C 20 40.386 40.386 41.837 -1.451 19549 1699 1 7 . 1 1 20 20 ILE H H 20 8.933 8.933 9.107 -0.174 19549 1700 1 7 . 1 1 21 21 THR N N 21 123.651 123.651 120.467 3.184 19549 1701 1 7 . 1 1 21 21 THR HA H 21 4.830 4.830 4.927 -0.097 19549 1702 1 7 . 1 1 21 21 THR CA C 21 61.581 61.581 61.931 -0.350 19549 1703 1 7 . 1 1 21 21 THR CB C 21 72.037 72.037 72.387 -0.350 19549 1704 1 7 . 1 1 21 21 THR H H 21 9.395 9.395 8.816 0.579 19549 1705 1 7 . 1 1 22 22 ILE N N 22 125.699 125.699 126.347 -0.648 19549 1706 1 7 . 1 1 22 22 ILE HA H 22 4.061 4.061 4.569 -0.508 19549 1707 1 7 . 1 1 22 22 ILE CA C 22 59.160 59.160 58.306 0.854 19549 1708 1 7 . 1 1 22 22 ILE CB C 22 33.845 33.845 38.364 -4.519 19549 1709 1 7 . 1 1 22 22 ILE H H 22 8.108 8.108 8.348 -0.240 19549 1710 1 7 . 1 1 23 23 LEU N N 23 129.578 129.578 128.929 0.649 19549 1711 1 7 . 1 1 23 23 LEU HA H 23 4.594 4.594 4.311 0.283 19549 1712 1 7 . 1 1 23 23 LEU CA C 23 56.030 56.030 56.125 -0.095 19549 1713 1 7 . 1 1 23 23 LEU CB C 23 42.217 42.217 41.784 0.433 19549 1714 1 7 . 1 1 23 23 LEU H H 23 8.756 8.756 8.417 0.339 19549 1715 1 7 . 1 1 24 24 GLY N N 24 104.272 104.272 104.691 -0.419 19549 1716 1 7 . 1 1 24 24 GLY CA C 24 45.970 45.970 44.792 1.178 19549 1717 1 7 . 1 1 24 24 GLY H H 24 7.514 7.514 7.617 -0.103 19549 1718 1 7 . 1 1 25 25 VAL N N 25 120.134 120.134 116.603 3.531 19549 1719 1 7 . 1 1 25 25 VAL HA H 25 4.647 4.647 4.763 -0.116 19549 1720 1 7 . 1 1 25 25 VAL CA C 25 61.531 61.531 58.741 2.790 19549 1721 1 7 . 1 1 25 25 VAL CB C 25 35.904 35.904 35.159 0.745 19549 1722 1 7 . 1 1 25 25 VAL H H 25 8.395 8.395 8.268 0.127 19549 1723 1 7 . 1 1 26 26 SER N N 26 121.285 121.285 118.273 3.012 19549 1724 1 7 . 1 1 26 26 SER HA H 26 4.603 4.603 4.608 -0.005 19549 1725 1 7 . 1 1 26 26 SER CA C 26 54.493 54.493 58.009 -3.516 19549 1726 1 7 . 1 1 26 26 SER CB C 26 63.660 63.660 64.049 -0.390 19549 1727 1 7 . 1 1 26 26 SER H H 26 8.572 8.572 8.741 -0.169 19549 1728 1 7 . 1 1 27 27 GLY N N 27 118.284 118.284 114.118 4.166 19549 1729 1 7 . 1 1 27 27 GLY CA C 27 47.497 47.497 45.585 1.912 19549 1730 1 7 . 1 1 27 27 GLY H H 27 9.023 9.023 8.365 0.658 19549 1731 1 7 . 1 1 28 28 GLN N N 28 124.451 124.451 121.867 2.584 19549 1732 1 7 . 1 1 28 28 GLN HA H 28 4.279 4.279 4.308 -0.029 19549 1733 1 7 . 1 1 28 28 GLN CA C 28 55.059 55.059 56.295 -1.236 19549 1734 1 7 . 1 1 28 28 GLN CB C 28 29.318 29.318 28.765 0.553 19549 1735 1 7 . 1 1 28 28 GLN H H 28 8.677 8.677 8.616 0.061 19549 1736 1 7 . 1 1 29 29 GLN N N 29 117.498 117.498 119.681 -2.183 19549 1737 1 7 . 1 1 29 29 GLN HA H 29 4.634 4.634 4.375 0.259 19549 1738 1 7 . 1 1 29 29 GLN CA C 29 55.294 55.294 56.641 -1.347 19549 1739 1 7 . 1 1 29 29 GLN CB C 29 31.664 31.664 30.163 1.501 19549 1740 1 7 . 1 1 29 29 GLN H H 29 8.008 8.008 7.615 0.393 19549 1741 1 7 . 1 1 30 30 VAL N N 30 124.525 124.525 123.716 0.809 19549 1742 1 7 . 1 1 30 30 VAL HA H 30 4.529 4.529 4.394 0.135 19549 1743 1 7 . 1 1 30 30 VAL CA C 30 60.568 60.568 61.349 -0.781 19549 1744 1 7 . 1 1 30 30 VAL CB C 30 34.606 34.606 34.221 0.385 19549 1745 1 7 . 1 1 30 30 VAL H H 30 9.147 9.147 8.344 0.803 19549 1746 1 7 . 1 1 31 31 ARG N N 31 128.593 128.593 128.853 -0.260 19549 1747 1 7 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.579 0.058 19549 1748 1 7 . 1 1 31 31 ARG CA C 31 55.501 55.501 55.705 -0.204 19549 1749 1 7 . 1 1 31 31 ARG CB C 31 31.889 31.889 31.257 0.632 19549 1750 1 7 . 1 1 31 31 ARG H H 31 8.690 8.690 8.641 0.049 19549 1751 1 7 . 1 1 32 32 ILE N N 32 127.666 127.666 123.809 3.857 19549 1752 1 7 . 1 1 32 32 ILE HA H 32 4.613 4.613 4.912 -0.299 19549 1753 1 7 . 1 1 32 32 ILE CA C 32 59.838 59.838 59.402 0.436 19549 1754 1 7 . 1 1 32 32 ILE CB C 32 41.183 41.183 42.093 -0.910 19549 1755 1 7 . 1 1 32 32 ILE H H 32 9.114 9.114 8.394 0.720 19549 1756 1 7 . 1 1 33 33 GLY N N 33 112.830 112.830 111.136 1.694 19549 1757 1 7 . 1 1 33 33 GLY CA C 33 44.730 44.730 43.877 0.854 19549 1758 1 7 . 1 1 33 33 GLY H H 33 9.177 9.177 8.958 0.219 19549 1759 1 7 . 1 1 34 34 ILE N N 34 125.226 125.226 119.751 5.475 19549 1760 1 7 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.735 0.068 19549 1761 1 7 . 1 1 34 34 ILE CA C 34 61.001 61.001 60.434 0.567 19549 1762 1 7 . 1 1 34 34 ILE CB C 34 41.080 41.080 42.434 -1.354 19549 1763 1 7 . 1 1 34 34 ILE H H 34 9.637 9.637 8.187 1.450 19549 1764 1 7 . 1 1 35 35 ASN N N 35 129.590 129.590 124.229 5.361 19549 1765 1 7 . 1 1 35 35 ASN HA H 35 5.094 5.094 4.985 0.109 19549 1766 1 7 . 1 1 35 35 ASN CA C 35 52.185 52.185 52.673 -0.488 19549 1767 1 7 . 1 1 35 35 ASN CB C 35 40.108 40.108 40.792 -0.684 19549 1768 1 7 . 1 1 35 35 ASN H H 35 9.029 9.029 8.789 0.240 19549 1769 1 7 . 1 1 36 36 ALA N N 36 125.688 125.688 128.057 -2.369 19549 1770 1 7 . 1 1 36 36 ALA HA H 36 5.063 5.063 5.218 -0.155 19549 1771 1 7 . 1 1 36 36 ALA CA C 36 49.365 49.365 49.548 -0.183 19549 1772 1 7 . 1 1 36 36 ALA CB C 36 19.873 19.873 21.001 -1.128 19549 1773 1 7 . 1 1 36 36 ALA H H 36 8.208 8.208 8.163 0.045 19549 1774 1 7 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.555 -0.140 19549 1775 1 7 . 1 1 37 37 PRO CA C 37 62.916 62.916 62.191 0.725 19549 1776 1 7 . 1 1 37 37 PRO CB C 37 32.477 32.477 32.465 0.012 19549 1777 1 7 . 1 1 38 38 LYS N N 38 121.103 121.103 120.587 0.516 19549 1778 1 7 . 1 1 38 38 LYS HA H 38 3.825 3.825 4.118 -0.293 19549 1779 1 7 . 1 1 38 38 LYS CA C 38 58.927 58.927 57.635 1.292 19549 1780 1 7 . 1 1 38 38 LYS CB C 38 32.014 32.014 31.780 0.234 19549 1781 1 7 . 1 1 38 38 LYS H H 38 8.550 8.550 8.471 0.079 19549 1782 1 7 . 1 1 39 39 ASP N N 39 113.829 113.829 118.715 -4.886 19549 1783 1 7 . 1 1 39 39 ASP HA H 39 4.374 4.374 4.492 -0.118 19549 1784 1 7 . 1 1 39 39 ASP CA C 39 54.078 54.078 54.832 -0.754 19549 1785 1 7 . 1 1 39 39 ASP CB C 39 39.822 39.822 41.078 -1.256 19549 1786 1 7 . 1 1 39 39 ASP H H 39 8.143 8.143 8.255 -0.112 19549 1787 1 7 . 1 1 40 40 VAL N N 40 122.624 122.624 114.394 8.230 19549 1788 1 7 . 1 1 40 40 VAL HA H 40 3.980 3.980 4.472 -0.492 19549 1789 1 7 . 1 1 40 40 VAL CA C 40 62.040 62.040 59.688 2.352 19549 1790 1 7 . 1 1 40 40 VAL CB C 40 31.928 31.928 35.428 -3.500 19549 1791 1 7 . 1 1 40 40 VAL H H 40 8.020 8.020 7.439 0.581 19549 1792 1 7 . 1 1 41 41 ALA N N 41 133.718 133.718 124.609 9.109 19549 1793 1 7 . 1 1 41 41 ALA HA H 41 4.474 4.474 4.881 -0.407 19549 1794 1 7 . 1 1 41 41 ALA CA C 41 52.263 52.263 51.200 1.063 19549 1795 1 7 . 1 1 41 41 ALA CB C 41 19.155 19.155 20.016 -0.861 19549 1796 1 7 . 1 1 41 41 ALA H H 41 8.897 8.897 8.296 0.601 19549 1797 1 7 . 1 1 42 42 VAL N N 42 125.194 125.194 120.483 4.711 19549 1798 1 7 . 1 1 42 42 VAL HA H 42 4.434 4.434 4.236 0.198 19549 1799 1 7 . 1 1 42 42 VAL CA C 42 60.771 60.771 61.707 -0.936 19549 1800 1 7 . 1 1 42 42 VAL CB C 42 33.599 33.599 33.139 0.459 19549 1801 1 7 . 1 1 42 42 VAL H H 42 7.847 7.847 7.828 0.019 19549 1802 1 7 . 1 1 43 43 HIS N N 43 118.938 118.938 124.118 -5.180 19549 1803 1 7 . 1 1 43 43 HIS HA H 43 5.566 5.566 4.935 0.631 19549 1804 1 7 . 1 1 43 43 HIS CA C 43 53.931 53.931 55.170 -1.239 19549 1805 1 7 . 1 1 43 43 HIS CB C 43 37.649 37.649 31.901 5.747 19549 1806 1 7 . 1 1 43 43 HIS H H 43 8.644 8.644 8.295 0.349 19549 1807 1 7 . 1 1 44 44 ARG N N 44 122.301 122.301 121.900 0.401 19549 1808 1 7 . 1 1 44 44 ARG HA H 44 3.970 3.970 4.334 -0.364 19549 1809 1 7 . 1 1 44 44 ARG CA C 44 58.580 58.580 56.095 2.485 19549 1810 1 7 . 1 1 44 44 ARG H H 44 8.828 8.828 8.635 0.193 19549 1811 1 7 . 1 1 45 45 GLU N N 45 126.010 126.010 123.142 2.868 19549 1812 1 7 . 1 1 45 45 GLU HA H 45 4.417 4.417 4.014 0.403 19549 1813 1 7 . 1 1 45 45 GLU CA C 45 59.945 59.945 59.469 0.476 19549 1814 1 7 . 1 1 45 45 GLU CB C 45 29.981 29.981 29.578 0.403 19549 1815 1 7 . 1 1 45 45 GLU H H 45 7.895 7.895 8.979 -1.084 19549 1816 1 7 . 1 1 46 46 GLU N N 46 118.177 118.177 119.066 -0.889 19549 1817 1 7 . 1 1 46 46 GLU HA H 46 4.269 4.269 4.166 0.103 19549 1818 1 7 . 1 1 46 46 GLU CA C 46 58.726 58.726 59.049 -0.323 19549 1819 1 7 . 1 1 46 46 GLU CB C 46 27.085 27.085 29.118 -2.033 19549 1820 1 7 . 1 1 46 46 GLU H H 46 10.765 10.765 8.661 2.104 19549 1821 1 7 . 1 1 47 47 ILE N N 47 122.543 122.543 119.638 2.905 19549 1822 1 7 . 1 1 47 47 ILE HA H 47 3.796 3.796 3.898 -0.102 19549 1823 1 7 . 1 1 47 47 ILE CA C 47 61.102 61.102 62.236 -1.134 19549 1824 1 7 . 1 1 47 47 ILE CB C 47 35.713 35.713 36.895 -1.182 19549 1825 1 7 . 1 1 47 47 ILE H H 47 7.197 7.197 7.571 -0.374 19549 1826 1 7 . 1 1 48 48 TYR N N 48 122.234 122.234 121.702 0.532 19549 1827 1 7 . 1 1 48 48 TYR HA H 48 3.655 3.655 4.031 -0.376 19549 1828 1 7 . 1 1 48 48 TYR CA C 48 62.312 62.312 61.905 0.407 19549 1829 1 7 . 1 1 48 48 TYR CB C 48 39.249 39.249 38.179 1.070 19549 1830 1 7 . 1 1 48 48 TYR H H 48 8.134 8.134 8.497 -0.363 19549 1831 1 7 . 1 1 49 49 GLN N N 49 115.293 115.293 116.376 -1.083 19549 1832 1 7 . 1 1 49 49 GLN HA H 49 3.856 3.856 4.075 -0.219 19549 1833 1 7 . 1 1 49 49 GLN CA C 49 58.599 58.599 58.179 0.419 19549 1834 1 7 . 1 1 49 49 GLN CB C 49 28.265 28.265 28.569 -0.304 19549 1835 1 7 . 1 1 49 49 GLN H H 49 8.658 8.658 7.720 0.938 19549 1836 1 7 . 1 1 50 50 ARG N N 50 120.188 120.188 116.996 3.192 19549 1837 1 7 . 1 1 50 50 ARG HA H 50 3.983 3.983 4.180 -0.197 19549 1838 1 7 . 1 1 50 50 ARG CA C 50 59.219 59.219 57.392 1.827 19549 1839 1 7 . 1 1 50 50 ARG CB C 50 30.367 30.367 30.244 0.123 19549 1840 1 7 . 1 1 50 50 ARG H H 50 7.135 7.135 7.583 -0.448 19549 1841 1 7 . 1 1 51 51 ILE N N 51 120.791 120.791 117.937 2.854 19549 1842 1 7 . 1 1 51 51 ILE HA H 51 3.628 3.628 3.982 -0.354 19549 1843 1 7 . 1 1 51 51 ILE CA C 51 64.528 64.528 62.760 1.768 19549 1844 1 7 . 1 1 51 51 ILE CB C 51 38.019 38.019 38.768 -0.749 19549 1845 1 7 . 1 1 51 51 ILE H H 51 7.897 7.897 7.177 0.720 19549 1846 1 7 . 1 1 52 52 GLN N N 52 118.963 118.963 118.411 0.552 19549 1847 1 7 . 1 1 52 52 GLN HA H 52 3.808 3.808 3.961 -0.153 19549 1848 1 7 . 1 1 52 52 GLN CA C 52 57.546 57.546 56.359 1.187 19549 1849 1 7 . 1 1 52 52 GLN CB C 52 28.215 28.215 27.342 0.873 19549 1850 1 7 . 1 1 52 52 GLN H H 52 7.915 7.915 7.723 0.192 19549 1851 1 7 . 1 1 53 53 ALA N N 53 120.242 120.242 120.448 -0.206 19549 1852 1 7 . 1 1 53 53 ALA HA H 53 4.190 4.190 4.180 0.010 19549 1853 1 7 . 1 1 53 53 ALA CA C 53 53.069 53.069 52.835 0.234 19549 1854 1 7 . 1 1 53 53 ALA CB C 53 18.757 18.757 18.826 -0.069 19549 1855 1 7 . 1 1 53 53 ALA H H 53 7.558 7.558 7.695 -0.137 19549 1856 1 7 . 1 1 54 54 GLY N N 54 105.982 105.982 104.380 1.602 19549 1857 1 7 . 1 1 54 54 GLY CA C 54 45.670 45.670 44.947 0.723 19549 1858 1 7 . 1 1 54 54 GLY H H 54 7.714 7.714 7.803 -0.089 19549 1859 1 7 . 1 1 55 55 LEU N N 55 120.632 120.632 117.024 3.608 19549 1860 1 7 . 1 1 55 55 LEU HA H 55 4.320 4.320 5.023 -0.703 19549 1861 1 7 . 1 1 55 55 LEU CA C 55 55.352 55.352 53.616 1.736 19549 1862 1 7 . 1 1 55 55 LEU CB C 55 42.303 42.303 42.962 -0.659 19549 1863 1 7 . 1 1 55 55 LEU H H 55 7.725 7.725 8.010 -0.285 19549 1864 1 7 . 1 1 56 56 THR N N 56 113.330 113.330 109.058 4.272 19549 1865 1 7 . 1 1 56 56 THR HA H 56 4.258 4.258 4.423 -0.165 19549 1866 1 7 . 1 1 56 56 THR CA C 56 61.410 61.410 62.024 -0.614 19549 1867 1 7 . 1 1 56 56 THR CB C 56 70.101 70.101 69.675 0.426 19549 1868 1 7 . 1 1 56 56 THR H H 56 7.902 7.902 8.351 -0.449 19549 1869 1 7 . 1 1 57 57 ALA N N 57 127.054 127.054 124.767 2.287 19549 1870 1 7 . 1 1 57 57 ALA HA H 57 4.475 4.475 4.712 -0.237 19549 1871 1 7 . 1 1 57 57 ALA CA C 57 50.560 50.560 50.669 -0.109 19549 1872 1 7 . 1 1 57 57 ALA CB C 57 18.502 18.502 20.213 -1.711 19549 1873 1 7 . 1 1 57 57 ALA H H 57 8.050 8.050 7.616 0.434 19549 1874 1 7 . 1 1 58 58 PRO HA H 58 4.269 4.269 4.410 -0.141 19549 1875 1 7 . 1 1 58 58 PRO CA C 58 63.723 63.723 62.346 1.377 19549 1876 1 7 . 1 1 58 58 PRO CB C 58 31.907 31.907 32.461 -0.554 19549 1877 1 8 . 1 1 2 2 LEU N N 2 124.131 124.131 125.710 -1.579 19549 1878 1 8 . 1 1 2 2 LEU HA H 2 4.628 4.628 5.139 -0.511 19549 1879 1 8 . 1 1 2 2 LEU CA C 2 54.587 54.587 53.893 0.694 19549 1880 1 8 . 1 1 2 2 LEU CB C 2 42.584 42.584 44.920 -2.336 19549 1881 1 8 . 1 1 2 2 LEU H H 2 8.398 8.398 8.906 -0.508 19549 1882 1 8 . 1 1 3 3 ILE N N 3 130.553 130.553 122.543 8.010 19549 1883 1 8 . 1 1 3 3 ILE HA H 3 5.008 5.008 4.417 0.591 19549 1884 1 8 . 1 1 3 3 ILE CA C 3 60.327 60.327 61.145 -0.819 19549 1885 1 8 . 1 1 3 3 ILE CB C 3 38.133 38.133 39.362 -1.229 19549 1886 1 8 . 1 1 3 3 ILE H H 3 10.460 10.460 8.476 1.984 19549 1887 1 8 . 1 1 4 4 LEU N N 4 125.358 125.358 124.463 0.895 19549 1888 1 8 . 1 1 4 4 LEU HA H 4 4.963 4.963 4.736 0.227 19549 1889 1 8 . 1 1 4 4 LEU CA C 4 52.865 52.865 54.170 -1.305 19549 1890 1 8 . 1 1 4 4 LEU CB C 4 46.677 46.677 44.761 1.916 19549 1891 1 8 . 1 1 4 4 LEU H H 4 8.905 8.905 8.337 0.568 19549 1892 1 8 . 1 1 5 5 THR N N 5 116.751 116.751 117.438 -0.687 19549 1893 1 8 . 1 1 5 5 THR HA H 5 5.488 5.488 4.594 0.894 19549 1894 1 8 . 1 1 5 5 THR CA C 5 60.717 60.717 61.771 -1.054 19549 1895 1 8 . 1 1 5 5 THR CB C 5 69.781 69.781 69.038 0.743 19549 1896 1 8 . 1 1 5 5 THR H H 5 9.479 9.479 8.278 1.201 19549 1897 1 8 . 1 1 6 6 ARG N N 6 124.665 124.665 127.112 -2.447 19549 1898 1 8 . 1 1 6 6 ARG HA H 6 4.989 4.989 4.559 0.430 19549 1899 1 8 . 1 1 6 6 ARG CA C 6 55.266 55.266 55.409 -0.143 19549 1900 1 8 . 1 1 6 6 ARG CB C 6 38.593 38.593 32.535 6.058 19549 1901 1 8 . 1 1 6 6 ARG H H 6 9.293 9.293 8.465 0.828 19549 1902 1 8 . 1 1 7 7 LYS N N 7 123.257 123.257 121.914 1.343 19549 1903 1 8 . 1 1 7 7 LYS HA H 7 5.102 5.102 4.687 0.415 19549 1904 1 8 . 1 1 7 7 LYS CA C 7 54.238 54.238 54.896 -0.658 19549 1905 1 8 . 1 1 7 7 LYS CB C 7 34.302 34.302 34.867 -0.565 19549 1906 1 8 . 1 1 7 7 LYS H H 7 9.412 9.412 9.126 0.286 19549 1907 1 8 . 1 1 8 8 VAL N N 8 118.052 118.052 118.190 -0.138 19549 1908 1 8 . 1 1 8 8 VAL HA H 8 3.277 3.277 3.987 -0.710 19549 1909 1 8 . 1 1 8 8 VAL CA C 8 65.940 65.940 63.328 2.612 19549 1910 1 8 . 1 1 8 8 VAL CB C 8 31.648 31.648 31.143 0.505 19549 1911 1 8 . 1 1 8 8 VAL H H 8 7.480 7.480 8.309 -0.829 19549 1912 1 8 . 1 1 9 9 GLY N N 9 115.983 115.983 114.565 1.418 19549 1913 1 8 . 1 1 9 9 GLY CA C 9 44.555 44.555 44.922 -0.367 19549 1914 1 8 . 1 1 9 9 GLY H H 9 9.192 9.192 9.242 -0.050 19549 1915 1 8 . 1 1 10 10 GLU N N 10 119.194 119.194 120.092 -0.898 19549 1916 1 8 . 1 1 10 10 GLU HA H 10 4.886 4.886 4.773 0.113 19549 1917 1 8 . 1 1 10 10 GLU CA C 10 55.870 55.870 54.694 1.176 19549 1918 1 8 . 1 1 10 10 GLU CB C 10 33.038 33.038 31.898 1.140 19549 1919 1 8 . 1 1 10 10 GLU H H 10 8.294 8.294 7.863 0.431 19549 1920 1 8 . 1 1 11 11 SER N N 11 112.576 112.576 113.269 -0.693 19549 1921 1 8 . 1 1 11 11 SER HA H 11 5.875 5.875 5.263 0.612 19549 1922 1 8 . 1 1 11 11 SER CA C 11 58.033 58.033 57.095 0.938 19549 1923 1 8 . 1 1 11 11 SER CB C 11 67.006 67.006 66.484 0.522 19549 1924 1 8 . 1 1 11 11 SER H H 11 8.651 8.651 8.342 0.309 19549 1925 1 8 . 1 1 12 12 ILE N N 12 124.514 124.514 119.625 4.889 19549 1926 1 8 . 1 1 12 12 ILE HA H 12 4.383 4.383 4.530 -0.147 19549 1927 1 8 . 1 1 12 12 ILE CA C 12 60.041 60.041 60.205 -0.164 19549 1928 1 8 . 1 1 12 12 ILE CB C 12 42.818 42.818 42.731 0.087 19549 1929 1 8 . 1 1 12 12 ILE H H 12 9.266 9.266 8.825 0.441 19549 1930 1 8 . 1 1 13 13 ASN N N 13 126.280 126.280 119.933 6.347 19549 1931 1 8 . 1 1 13 13 ASN HA H 13 4.991 4.991 5.029 -0.038 19549 1932 1 8 . 1 1 13 13 ASN CA C 13 53.546 53.546 52.571 0.975 19549 1933 1 8 . 1 1 13 13 ASN CB C 13 41.558 41.558 41.696 -0.138 19549 1934 1 8 . 1 1 13 13 ASN H H 13 9.360 9.360 8.445 0.915 19549 1935 1 8 . 1 1 14 14 ILE N N 14 123.986 123.986 120.419 3.567 19549 1936 1 8 . 1 1 14 14 ILE HA H 14 4.439 4.439 4.492 -0.053 19549 1937 1 8 . 1 1 14 14 ILE CA C 14 60.646 60.646 60.568 0.078 19549 1938 1 8 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.728 -3.219 19549 1939 1 8 . 1 1 14 14 ILE H H 14 8.425 8.425 8.281 0.144 19549 1940 1 8 . 1 1 15 15 GLY N N 15 115.388 115.388 112.437 2.951 19549 1941 1 8 . 1 1 15 15 GLY CA C 15 46.004 46.004 46.208 -0.204 19549 1942 1 8 . 1 1 15 15 GLY H H 15 9.067 9.067 8.588 0.479 19549 1943 1 8 . 1 1 16 16 ASP N N 16 120.794 120.794 121.007 -0.213 19549 1944 1 8 . 1 1 16 16 ASP HA H 16 4.958 4.958 4.698 0.260 19549 1945 1 8 . 1 1 16 16 ASP CA C 16 55.353 55.353 54.147 1.206 19549 1946 1 8 . 1 1 16 16 ASP CB C 16 42.388 42.388 41.399 0.989 19549 1947 1 8 . 1 1 16 16 ASP H H 16 8.760 8.760 8.342 0.418 19549 1948 1 8 . 1 1 17 17 ASP N N 17 115.630 115.630 119.863 -4.233 19549 1949 1 8 . 1 1 17 17 ASP HA H 17 4.748 4.748 4.858 -0.110 19549 1950 1 8 . 1 1 17 17 ASP CA C 17 54.200 54.200 53.947 0.253 19549 1951 1 8 . 1 1 17 17 ASP CB C 17 42.610 42.610 43.845 -1.235 19549 1952 1 8 . 1 1 17 17 ASP H H 17 8.159 8.159 7.964 0.195 19549 1953 1 8 . 1 1 18 18 ILE N N 18 118.662 118.662 120.172 -1.510 19549 1954 1 8 . 1 1 18 18 ILE HA H 18 5.229 5.229 5.252 -0.023 19549 1955 1 8 . 1 1 18 18 ILE CA C 18 60.093 60.093 60.208 -0.115 19549 1956 1 8 . 1 1 18 18 ILE CB C 18 39.842 39.842 42.002 -2.160 19549 1957 1 8 . 1 1 18 18 ILE H H 18 7.168 7.168 7.663 -0.495 19549 1958 1 8 . 1 1 19 19 THR N N 19 122.951 122.951 121.069 1.882 19549 1959 1 8 . 1 1 19 19 THR HA H 19 5.125 5.125 4.983 0.142 19549 1960 1 8 . 1 1 19 19 THR CA C 19 60.957 60.957 61.665 -0.708 19549 1961 1 8 . 1 1 19 19 THR CB C 19 71.814 71.814 72.533 -0.719 19549 1962 1 8 . 1 1 19 19 THR H H 19 8.929 8.929 8.874 0.055 19549 1963 1 8 . 1 1 20 20 ILE N N 20 123.522 123.522 121.993 1.529 19549 1964 1 8 . 1 1 20 20 ILE HA H 20 4.929 4.929 4.946 -0.017 19549 1965 1 8 . 1 1 20 20 ILE CA C 20 58.829 58.829 59.282 -0.453 19549 1966 1 8 . 1 1 20 20 ILE CB C 20 40.386 40.386 42.117 -1.731 19549 1967 1 8 . 1 1 20 20 ILE H H 20 8.933 8.933 9.190 -0.257 19549 1968 1 8 . 1 1 21 21 THR N N 21 123.651 123.651 119.960 3.691 19549 1969 1 8 . 1 1 21 21 THR HA H 21 4.830 4.830 4.974 -0.144 19549 1970 1 8 . 1 1 21 21 THR CA C 21 61.581 61.581 61.541 0.040 19549 1971 1 8 . 1 1 21 21 THR CB C 21 72.037 72.037 72.486 -0.449 19549 1972 1 8 . 1 1 21 21 THR H H 21 9.395 9.395 8.884 0.511 19549 1973 1 8 . 1 1 22 22 ILE N N 22 125.699 125.699 127.298 -1.599 19549 1974 1 8 . 1 1 22 22 ILE HA H 22 4.061 4.061 4.547 -0.486 19549 1975 1 8 . 1 1 22 22 ILE CA C 22 59.160 59.160 58.231 0.929 19549 1976 1 8 . 1 1 22 22 ILE CB C 22 33.845 33.845 37.958 -4.113 19549 1977 1 8 . 1 1 22 22 ILE H H 22 8.108 8.108 8.385 -0.277 19549 1978 1 8 . 1 1 23 23 LEU N N 23 129.578 129.578 129.700 -0.122 19549 1979 1 8 . 1 1 23 23 LEU HA H 23 4.594 4.594 4.144 0.450 19549 1980 1 8 . 1 1 23 23 LEU CA C 23 56.030 56.030 56.227 -0.197 19549 1981 1 8 . 1 1 23 23 LEU CB C 23 42.217 42.217 41.864 0.353 19549 1982 1 8 . 1 1 23 23 LEU H H 23 8.756 8.756 8.289 0.467 19549 1983 1 8 . 1 1 24 24 GLY N N 24 104.272 104.272 104.434 -0.162 19549 1984 1 8 . 1 1 24 24 GLY CA C 24 45.970 45.970 44.751 1.219 19549 1985 1 8 . 1 1 24 24 GLY H H 24 7.514 7.514 7.571 -0.057 19549 1986 1 8 . 1 1 25 25 VAL N N 25 120.134 120.134 115.550 4.584 19549 1987 1 8 . 1 1 25 25 VAL HA H 25 4.647 4.647 4.791 -0.144 19549 1988 1 8 . 1 1 25 25 VAL CA C 25 61.531 61.531 58.965 2.566 19549 1989 1 8 . 1 1 25 25 VAL CB C 25 35.904 35.904 35.429 0.475 19549 1990 1 8 . 1 1 25 25 VAL H H 25 8.395 8.395 8.348 0.047 19549 1991 1 8 . 1 1 26 26 SER N N 26 121.285 121.285 118.024 3.261 19549 1992 1 8 . 1 1 26 26 SER HA H 26 4.603 4.603 4.593 0.010 19549 1993 1 8 . 1 1 26 26 SER CA C 26 54.493 54.493 58.029 -3.536 19549 1994 1 8 . 1 1 26 26 SER CB C 26 63.660 63.660 64.033 -0.373 19549 1995 1 8 . 1 1 26 26 SER H H 26 8.572 8.572 8.820 -0.248 19549 1996 1 8 . 1 1 27 27 GLY N N 27 118.284 118.284 114.256 4.028 19549 1997 1 8 . 1 1 27 27 GLY CA C 27 47.497 47.497 45.675 1.823 19549 1998 1 8 . 1 1 27 27 GLY H H 27 9.023 9.023 8.387 0.636 19549 1999 1 8 . 1 1 28 28 GLN N N 28 124.451 124.451 122.032 2.419 19549 2000 1 8 . 1 1 28 28 GLN HA H 28 4.279 4.279 4.320 -0.041 19549 2001 1 8 . 1 1 28 28 GLN CA C 28 55.059 55.059 56.246 -1.187 19549 2002 1 8 . 1 1 28 28 GLN CB C 28 29.318 29.318 28.794 0.524 19549 2003 1 8 . 1 1 28 28 GLN H H 28 8.677 8.677 8.618 0.059 19549 2004 1 8 . 1 1 29 29 GLN N N 29 117.498 117.498 119.818 -2.320 19549 2005 1 8 . 1 1 29 29 GLN HA H 29 4.634 4.634 4.350 0.284 19549 2006 1 8 . 1 1 29 29 GLN CA C 29 55.294 55.294 56.771 -1.477 19549 2007 1 8 . 1 1 29 29 GLN CB C 29 31.664 31.664 30.060 1.604 19549 2008 1 8 . 1 1 29 29 GLN H H 29 8.008 8.008 7.567 0.441 19549 2009 1 8 . 1 1 30 30 VAL N N 30 124.525 124.525 122.932 1.593 19549 2010 1 8 . 1 1 30 30 VAL HA H 30 4.529 4.529 4.404 0.125 19549 2011 1 8 . 1 1 30 30 VAL CA C 30 60.568 60.568 61.582 -1.014 19549 2012 1 8 . 1 1 30 30 VAL CB C 30 34.606 34.606 34.313 0.293 19549 2013 1 8 . 1 1 30 30 VAL H H 30 9.147 9.147 8.365 0.782 19549 2014 1 8 . 1 1 31 31 ARG N N 31 128.593 128.593 128.419 0.174 19549 2015 1 8 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.613 0.024 19549 2016 1 8 . 1 1 31 31 ARG CA C 31 55.501 55.501 55.609 -0.108 19549 2017 1 8 . 1 1 31 31 ARG CB C 31 31.889 31.889 31.498 0.391 19549 2018 1 8 . 1 1 31 31 ARG H H 31 8.690 8.690 8.697 -0.007 19549 2019 1 8 . 1 1 32 32 ILE N N 32 127.666 127.666 123.165 4.501 19549 2020 1 8 . 1 1 32 32 ILE HA H 32 4.613 4.613 4.911 -0.298 19549 2021 1 8 . 1 1 32 32 ILE CA C 32 59.838 59.838 59.463 0.375 19549 2022 1 8 . 1 1 32 32 ILE CB C 32 41.183 41.183 42.272 -1.089 19549 2023 1 8 . 1 1 32 32 ILE H H 32 9.114 9.114 8.389 0.725 19549 2024 1 8 . 1 1 33 33 GLY N N 33 112.830 112.830 111.153 1.677 19549 2025 1 8 . 1 1 33 33 GLY CA C 33 44.730 44.730 43.941 0.789 19549 2026 1 8 . 1 1 33 33 GLY H H 33 9.177 9.177 8.963 0.214 19549 2027 1 8 . 1 1 34 34 ILE N N 34 125.226 125.226 120.175 5.051 19549 2028 1 8 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.754 0.049 19549 2029 1 8 . 1 1 34 34 ILE CA C 34 61.001 61.001 60.385 0.616 19549 2030 1 8 . 1 1 34 34 ILE CB C 34 41.080 41.080 42.508 -1.428 19549 2031 1 8 . 1 1 34 34 ILE H H 34 9.637 9.637 8.202 1.435 19549 2032 1 8 . 1 1 35 35 ASN N N 35 129.590 129.590 124.160 5.430 19549 2033 1 8 . 1 1 35 35 ASN HA H 35 5.094 5.094 4.986 0.108 19549 2034 1 8 . 1 1 35 35 ASN CA C 35 52.185 52.185 52.704 -0.519 19549 2035 1 8 . 1 1 35 35 ASN CB C 35 40.108 40.108 40.906 -0.798 19549 2036 1 8 . 1 1 35 35 ASN H H 35 9.029 9.029 8.836 0.193 19549 2037 1 8 . 1 1 36 36 ALA N N 36 125.688 125.688 128.085 -2.397 19549 2038 1 8 . 1 1 36 36 ALA HA H 36 5.063 5.063 5.238 -0.175 19549 2039 1 8 . 1 1 36 36 ALA CA C 36 49.365 49.365 49.512 -0.147 19549 2040 1 8 . 1 1 36 36 ALA CB C 36 19.873 19.873 21.038 -1.165 19549 2041 1 8 . 1 1 36 36 ALA H H 36 8.208 8.208 8.171 0.037 19549 2042 1 8 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.552 -0.137 19549 2043 1 8 . 1 1 37 37 PRO CA C 37 62.916 62.916 62.193 0.723 19549 2044 1 8 . 1 1 37 37 PRO CB C 37 32.477 32.477 32.454 0.023 19549 2045 1 8 . 1 1 38 38 LYS N N 38 121.103 121.103 120.558 0.545 19549 2046 1 8 . 1 1 38 38 LYS HA H 38 3.825 3.825 4.130 -0.305 19549 2047 1 8 . 1 1 38 38 LYS CA C 38 58.927 58.927 57.582 1.345 19549 2048 1 8 . 1 1 38 38 LYS CB C 38 32.014 32.014 31.782 0.232 19549 2049 1 8 . 1 1 38 38 LYS H H 38 8.550 8.550 8.469 0.081 19549 2050 1 8 . 1 1 39 39 ASP N N 39 113.829 113.829 118.697 -4.868 19549 2051 1 8 . 1 1 39 39 ASP HA H 39 4.374 4.374 4.492 -0.118 19549 2052 1 8 . 1 1 39 39 ASP CA C 39 54.078 54.078 54.831 -0.753 19549 2053 1 8 . 1 1 39 39 ASP CB C 39 39.822 39.822 41.091 -1.269 19549 2054 1 8 . 1 1 39 39 ASP H H 39 8.143 8.143 8.263 -0.120 19549 2055 1 8 . 1 1 40 40 VAL N N 40 122.624 122.624 114.212 8.412 19549 2056 1 8 . 1 1 40 40 VAL HA H 40 3.980 3.980 4.479 -0.499 19549 2057 1 8 . 1 1 40 40 VAL CA C 40 62.040 62.040 59.695 2.345 19549 2058 1 8 . 1 1 40 40 VAL CB C 40 31.928 31.928 35.474 -3.546 19549 2059 1 8 . 1 1 40 40 VAL H H 40 8.020 8.020 7.437 0.583 19549 2060 1 8 . 1 1 41 41 ALA N N 41 133.718 133.718 124.967 8.751 19549 2061 1 8 . 1 1 41 41 ALA HA H 41 4.474 4.474 4.904 -0.430 19549 2062 1 8 . 1 1 41 41 ALA CA C 41 52.263 52.263 51.103 1.160 19549 2063 1 8 . 1 1 41 41 ALA CB C 41 19.155 19.155 20.286 -1.131 19549 2064 1 8 . 1 1 41 41 ALA H H 41 8.897 8.897 8.269 0.628 19549 2065 1 8 . 1 1 42 42 VAL N N 42 125.194 125.194 120.481 4.713 19549 2066 1 8 . 1 1 42 42 VAL HA H 42 4.434 4.434 4.314 0.120 19549 2067 1 8 . 1 1 42 42 VAL CA C 42 60.771 60.771 61.559 -0.788 19549 2068 1 8 . 1 1 42 42 VAL CB C 42 33.599 33.599 33.059 0.540 19549 2069 1 8 . 1 1 42 42 VAL H H 42 7.847 7.847 7.905 -0.058 19549 2070 1 8 . 1 1 43 43 HIS N N 43 118.938 118.938 124.347 -5.409 19549 2071 1 8 . 1 1 43 43 HIS HA H 43 5.566 5.566 4.877 0.689 19549 2072 1 8 . 1 1 43 43 HIS CA C 43 53.931 53.931 55.228 -1.298 19549 2073 1 8 . 1 1 43 43 HIS CB C 43 37.649 37.649 31.875 5.774 19549 2074 1 8 . 1 1 43 43 HIS H H 43 8.644 8.644 8.379 0.265 19549 2075 1 8 . 1 1 44 44 ARG N N 44 122.301 122.301 121.965 0.336 19549 2076 1 8 . 1 1 44 44 ARG HA H 44 3.970 3.970 4.325 -0.355 19549 2077 1 8 . 1 1 44 44 ARG CA C 44 58.580 58.580 56.166 2.414 19549 2078 1 8 . 1 1 44 44 ARG H H 44 8.828 8.828 8.632 0.196 19549 2079 1 8 . 1 1 45 45 GLU N N 45 126.010 126.010 122.870 3.140 19549 2080 1 8 . 1 1 45 45 GLU HA H 45 4.417 4.417 4.023 0.394 19549 2081 1 8 . 1 1 45 45 GLU CA C 45 59.945 59.945 59.421 0.524 19549 2082 1 8 . 1 1 45 45 GLU CB C 45 29.981 29.981 29.604 0.377 19549 2083 1 8 . 1 1 45 45 GLU H H 45 7.895 7.895 8.978 -1.083 19549 2084 1 8 . 1 1 46 46 GLU N N 46 118.177 118.177 118.960 -0.783 19549 2085 1 8 . 1 1 46 46 GLU HA H 46 4.269 4.269 4.168 0.101 19549 2086 1 8 . 1 1 46 46 GLU CA C 46 58.726 58.726 59.041 -0.314 19549 2087 1 8 . 1 1 46 46 GLU CB C 46 27.085 27.085 29.110 -2.025 19549 2088 1 8 . 1 1 46 46 GLU H H 46 10.765 10.765 8.674 2.091 19549 2089 1 8 . 1 1 47 47 ILE N N 47 122.543 122.543 119.461 3.082 19549 2090 1 8 . 1 1 47 47 ILE HA H 47 3.796 3.796 3.905 -0.109 19549 2091 1 8 . 1 1 47 47 ILE CA C 47 61.102 61.102 62.112 -1.010 19549 2092 1 8 . 1 1 47 47 ILE CB C 47 35.713 35.713 36.898 -1.185 19549 2093 1 8 . 1 1 47 47 ILE H H 47 7.197 7.197 7.526 -0.329 19549 2094 1 8 . 1 1 48 48 TYR N N 48 122.234 122.234 121.760 0.474 19549 2095 1 8 . 1 1 48 48 TYR HA H 48 3.655 3.655 4.039 -0.384 19549 2096 1 8 . 1 1 48 48 TYR CA C 48 62.312 62.312 61.950 0.362 19549 2097 1 8 . 1 1 48 48 TYR CB C 48 39.249 39.249 38.203 1.046 19549 2098 1 8 . 1 1 48 48 TYR H H 48 8.134 8.134 8.345 -0.211 19549 2099 1 8 . 1 1 49 49 GLN N N 49 115.293 115.293 116.360 -1.067 19549 2100 1 8 . 1 1 49 49 GLN HA H 49 3.856 3.856 4.081 -0.225 19549 2101 1 8 . 1 1 49 49 GLN CA C 49 58.599 58.599 58.170 0.429 19549 2102 1 8 . 1 1 49 49 GLN CB C 49 28.265 28.265 28.563 -0.298 19549 2103 1 8 . 1 1 49 49 GLN H H 49 8.658 8.658 7.733 0.925 19549 2104 1 8 . 1 1 50 50 ARG N N 50 120.188 120.188 117.116 3.072 19549 2105 1 8 . 1 1 50 50 ARG HA H 50 3.983 3.983 4.183 -0.200 19549 2106 1 8 . 1 1 50 50 ARG CA C 50 59.219 59.219 57.437 1.782 19549 2107 1 8 . 1 1 50 50 ARG CB C 50 30.367 30.367 30.206 0.161 19549 2108 1 8 . 1 1 50 50 ARG H H 50 7.135 7.135 7.577 -0.442 19549 2109 1 8 . 1 1 51 51 ILE N N 51 120.791 120.791 118.291 2.500 19549 2110 1 8 . 1 1 51 51 ILE HA H 51 3.628 3.628 3.973 -0.345 19549 2111 1 8 . 1 1 51 51 ILE CA C 51 64.528 64.528 62.918 1.610 19549 2112 1 8 . 1 1 51 51 ILE CB C 51 38.019 38.019 38.702 -0.682 19549 2113 1 8 . 1 1 51 51 ILE H H 51 7.897 7.897 7.200 0.697 19549 2114 1 8 . 1 1 52 52 GLN N N 52 118.963 118.963 118.413 0.550 19549 2115 1 8 . 1 1 52 52 GLN HA H 52 3.808 3.808 3.965 -0.157 19549 2116 1 8 . 1 1 52 52 GLN CA C 52 57.546 57.546 56.413 1.133 19549 2117 1 8 . 1 1 52 52 GLN CB C 52 28.215 28.215 27.380 0.836 19549 2118 1 8 . 1 1 52 52 GLN H H 52 7.915 7.915 7.696 0.219 19549 2119 1 8 . 1 1 53 53 ALA N N 53 120.242 120.242 120.438 -0.196 19549 2120 1 8 . 1 1 53 53 ALA HA H 53 4.190 4.190 4.188 0.002 19549 2121 1 8 . 1 1 53 53 ALA CA C 53 53.069 53.069 52.813 0.256 19549 2122 1 8 . 1 1 53 53 ALA CB C 53 18.757 18.757 18.842 -0.085 19549 2123 1 8 . 1 1 53 53 ALA H H 53 7.558 7.558 7.706 -0.148 19549 2124 1 8 . 1 1 54 54 GLY N N 54 105.982 105.982 104.467 1.515 19549 2125 1 8 . 1 1 54 54 GLY CA C 54 45.670 45.670 44.940 0.730 19549 2126 1 8 . 1 1 54 54 GLY H H 54 7.714 7.714 7.807 -0.093 19549 2127 1 8 . 1 1 55 55 LEU N N 55 120.632 120.632 117.455 3.177 19549 2128 1 8 . 1 1 55 55 LEU HA H 55 4.320 4.320 5.007 -0.687 19549 2129 1 8 . 1 1 55 55 LEU CA C 55 55.352 55.352 53.817 1.535 19549 2130 1 8 . 1 1 55 55 LEU CB C 55 42.303 42.303 42.854 -0.551 19549 2131 1 8 . 1 1 55 55 LEU H H 55 7.725 7.725 8.015 -0.290 19549 2132 1 8 . 1 1 56 56 THR N N 56 113.330 113.330 107.993 5.337 19549 2133 1 8 . 1 1 56 56 THR HA H 56 4.258 4.258 4.418 -0.161 19549 2134 1 8 . 1 1 56 56 THR CA C 56 61.410 61.410 61.415 -0.005 19549 2135 1 8 . 1 1 56 56 THR CB C 56 70.101 70.101 69.486 0.615 19549 2136 1 8 . 1 1 56 56 THR H H 56 7.902 7.902 8.177 -0.275 19549 2137 1 8 . 1 1 57 57 ALA N N 57 127.054 127.054 123.837 3.217 19549 2138 1 8 . 1 1 57 57 ALA HA H 57 4.475 4.475 4.733 -0.258 19549 2139 1 8 . 1 1 57 57 ALA CA C 57 50.560 50.560 50.305 0.255 19549 2140 1 8 . 1 1 57 57 ALA CB C 57 18.502 18.502 20.505 -2.003 19549 2141 1 8 . 1 1 57 57 ALA H H 57 8.050 8.050 7.394 0.656 19549 2142 1 8 . 1 1 58 58 PRO HA H 58 4.269 4.269 4.197 0.072 19549 2143 1 8 . 1 1 58 58 PRO CA C 58 63.723 63.723 64.044 -0.321 19549 2144 1 8 . 1 1 58 58 PRO CB C 58 31.907 31.907 32.178 -0.271 19549 2145 1 9 . 1 1 2 2 LEU N N 2 124.131 124.131 125.661 -1.530 19549 2146 1 9 . 1 1 2 2 LEU HA H 2 4.628 4.628 5.129 -0.501 19549 2147 1 9 . 1 1 2 2 LEU CA C 2 54.587 54.587 53.909 0.678 19549 2148 1 9 . 1 1 2 2 LEU CB C 2 42.584 42.584 44.958 -2.374 19549 2149 1 9 . 1 1 2 2 LEU H H 2 8.398 8.398 8.896 -0.498 19549 2150 1 9 . 1 1 3 3 ILE N N 3 130.553 130.553 121.086 9.467 19549 2151 1 9 . 1 1 3 3 ILE HA H 3 5.008 5.008 4.431 0.577 19549 2152 1 9 . 1 1 3 3 ILE CA C 3 60.327 60.327 60.795 -0.468 19549 2153 1 9 . 1 1 3 3 ILE CB C 3 38.133 38.133 38.937 -0.804 19549 2154 1 9 . 1 1 3 3 ILE H H 3 10.460 10.460 8.047 2.413 19549 2155 1 9 . 1 1 4 4 LEU N N 4 125.358 125.358 125.039 0.319 19549 2156 1 9 . 1 1 4 4 LEU HA H 4 4.963 4.963 4.738 0.225 19549 2157 1 9 . 1 1 4 4 LEU CA C 4 52.865 52.865 54.069 -1.204 19549 2158 1 9 . 1 1 4 4 LEU CB C 4 46.677 46.677 44.456 2.221 19549 2159 1 9 . 1 1 4 4 LEU H H 4 8.905 8.905 8.175 0.730 19549 2160 1 9 . 1 1 5 5 THR N N 5 116.751 116.751 117.411 -0.660 19549 2161 1 9 . 1 1 5 5 THR HA H 5 5.488 5.488 4.633 0.855 19549 2162 1 9 . 1 1 5 5 THR CA C 5 60.717 60.717 61.930 -1.213 19549 2163 1 9 . 1 1 5 5 THR CB C 5 69.781 69.781 69.001 0.780 19549 2164 1 9 . 1 1 5 5 THR H H 5 9.479 9.479 8.189 1.290 19549 2165 1 9 . 1 1 6 6 ARG N N 6 124.665 124.665 126.697 -2.032 19549 2166 1 9 . 1 1 6 6 ARG HA H 6 4.989 4.989 4.530 0.459 19549 2167 1 9 . 1 1 6 6 ARG CA C 6 55.266 55.266 55.630 -0.365 19549 2168 1 9 . 1 1 6 6 ARG CB C 6 38.593 38.593 32.555 6.038 19549 2169 1 9 . 1 1 6 6 ARG H H 6 9.293 9.293 8.480 0.812 19549 2170 1 9 . 1 1 7 7 LYS N N 7 123.257 123.257 121.762 1.495 19549 2171 1 9 . 1 1 7 7 LYS HA H 7 5.102 5.102 4.669 0.433 19549 2172 1 9 . 1 1 7 7 LYS CA C 7 54.238 54.238 54.824 -0.586 19549 2173 1 9 . 1 1 7 7 LYS CB C 7 34.302 34.302 35.027 -0.725 19549 2174 1 9 . 1 1 7 7 LYS H H 7 9.412 9.412 9.147 0.265 19549 2175 1 9 . 1 1 8 8 VAL N N 8 118.052 118.052 118.238 -0.186 19549 2176 1 9 . 1 1 8 8 VAL HA H 8 3.277 3.277 4.028 -0.751 19549 2177 1 9 . 1 1 8 8 VAL CA C 8 65.940 65.940 63.315 2.625 19549 2178 1 9 . 1 1 8 8 VAL CB C 8 31.648 31.648 31.088 0.560 19549 2179 1 9 . 1 1 8 8 VAL H H 8 7.480 7.480 8.318 -0.838 19549 2180 1 9 . 1 1 9 9 GLY N N 9 115.983 115.983 114.615 1.368 19549 2181 1 9 . 1 1 9 9 GLY CA C 9 44.555 44.555 44.908 -0.353 19549 2182 1 9 . 1 1 9 9 GLY H H 9 9.192 9.192 9.226 -0.034 19549 2183 1 9 . 1 1 10 10 GLU N N 10 119.194 119.194 120.042 -0.848 19549 2184 1 9 . 1 1 10 10 GLU HA H 10 4.886 4.886 4.757 0.129 19549 2185 1 9 . 1 1 10 10 GLU CA C 10 55.870 55.870 54.561 1.309 19549 2186 1 9 . 1 1 10 10 GLU CB C 10 33.038 33.038 32.345 0.693 19549 2187 1 9 . 1 1 10 10 GLU H H 10 8.294 8.294 7.856 0.438 19549 2188 1 9 . 1 1 11 11 SER N N 11 112.576 112.576 113.050 -0.474 19549 2189 1 9 . 1 1 11 11 SER HA H 11 5.875 5.875 5.305 0.570 19549 2190 1 9 . 1 1 11 11 SER CA C 11 58.033 58.033 57.171 0.862 19549 2191 1 9 . 1 1 11 11 SER CB C 11 67.006 67.006 66.062 0.944 19549 2192 1 9 . 1 1 11 11 SER H H 11 8.651 8.651 8.354 0.297 19549 2193 1 9 . 1 1 12 12 ILE N N 12 124.514 124.514 119.818 4.696 19549 2194 1 9 . 1 1 12 12 ILE HA H 12 4.383 4.383 4.489 -0.106 19549 2195 1 9 . 1 1 12 12 ILE CA C 12 60.041 60.041 60.065 -0.024 19549 2196 1 9 . 1 1 12 12 ILE CB C 12 42.818 42.818 42.830 -0.012 19549 2197 1 9 . 1 1 12 12 ILE H H 12 9.266 9.266 8.771 0.495 19549 2198 1 9 . 1 1 13 13 ASN N N 13 126.280 126.280 120.090 6.190 19549 2199 1 9 . 1 1 13 13 ASN HA H 13 4.991 4.991 5.155 -0.164 19549 2200 1 9 . 1 1 13 13 ASN CA C 13 53.546 53.546 52.529 1.017 19549 2201 1 9 . 1 1 13 13 ASN CB C 13 41.558 41.558 41.631 -0.073 19549 2202 1 9 . 1 1 13 13 ASN H H 13 9.360 9.360 8.458 0.902 19549 2203 1 9 . 1 1 14 14 ILE N N 14 123.986 123.986 120.617 3.369 19549 2204 1 9 . 1 1 14 14 ILE HA H 14 4.439 4.439 4.493 -0.054 19549 2205 1 9 . 1 1 14 14 ILE CA C 14 60.646 60.646 60.573 0.073 19549 2206 1 9 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.678 -3.169 19549 2207 1 9 . 1 1 14 14 ILE H H 14 8.425 8.425 8.384 0.041 19549 2208 1 9 . 1 1 15 15 GLY N N 15 115.388 115.388 112.650 2.738 19549 2209 1 9 . 1 1 15 15 GLY CA C 15 46.004 46.004 46.145 -0.141 19549 2210 1 9 . 1 1 15 15 GLY H H 15 9.067 9.067 8.636 0.431 19549 2211 1 9 . 1 1 16 16 ASP N N 16 120.794 120.794 122.680 -1.886 19549 2212 1 9 . 1 1 16 16 ASP HA H 16 4.958 4.958 4.732 0.226 19549 2213 1 9 . 1 1 16 16 ASP CA C 16 55.353 55.353 54.286 1.067 19549 2214 1 9 . 1 1 16 16 ASP CB C 16 42.388 42.388 41.481 0.907 19549 2215 1 9 . 1 1 16 16 ASP H H 16 8.760 8.760 8.388 0.372 19549 2216 1 9 . 1 1 17 17 ASP N N 17 115.630 115.630 119.816 -4.186 19549 2217 1 9 . 1 1 17 17 ASP HA H 17 4.748 4.748 4.846 -0.098 19549 2218 1 9 . 1 1 17 17 ASP CA C 17 54.200 54.200 54.035 0.165 19549 2219 1 9 . 1 1 17 17 ASP CB C 17 42.610 42.610 43.688 -1.077 19549 2220 1 9 . 1 1 17 17 ASP H H 17 8.159 8.159 8.032 0.127 19549 2221 1 9 . 1 1 18 18 ILE N N 18 118.662 118.662 120.125 -1.463 19549 2222 1 9 . 1 1 18 18 ILE HA H 18 5.229 5.229 5.209 0.020 19549 2223 1 9 . 1 1 18 18 ILE CA C 18 60.093 60.093 60.271 -0.178 19549 2224 1 9 . 1 1 18 18 ILE CB C 18 39.842 39.842 42.040 -2.198 19549 2225 1 9 . 1 1 18 18 ILE H H 18 7.168 7.168 7.662 -0.494 19549 2226 1 9 . 1 1 19 19 THR N N 19 122.951 122.951 121.120 1.831 19549 2227 1 9 . 1 1 19 19 THR HA H 19 5.125 5.125 5.002 0.123 19549 2228 1 9 . 1 1 19 19 THR CA C 19 60.957 60.957 61.651 -0.694 19549 2229 1 9 . 1 1 19 19 THR CB C 19 71.814 71.814 72.519 -0.705 19549 2230 1 9 . 1 1 19 19 THR H H 19 8.929 8.929 8.713 0.216 19549 2231 1 9 . 1 1 20 20 ILE N N 20 123.522 123.522 122.120 1.402 19549 2232 1 9 . 1 1 20 20 ILE HA H 20 4.929 4.929 4.989 -0.060 19549 2233 1 9 . 1 1 20 20 ILE CA C 20 58.829 58.829 59.172 -0.343 19549 2234 1 9 . 1 1 20 20 ILE CB C 20 40.386 40.386 42.076 -1.690 19549 2235 1 9 . 1 1 20 20 ILE H H 20 8.933 8.933 9.117 -0.184 19549 2236 1 9 . 1 1 21 21 THR N N 21 123.651 123.651 119.717 3.934 19549 2237 1 9 . 1 1 21 21 THR HA H 21 4.830 4.830 4.991 -0.161 19549 2238 1 9 . 1 1 21 21 THR CA C 21 61.581 61.581 61.545 0.036 19549 2239 1 9 . 1 1 21 21 THR CB C 21 72.037 72.037 72.524 -0.487 19549 2240 1 9 . 1 1 21 21 THR H H 21 9.395 9.395 8.834 0.561 19549 2241 1 9 . 1 1 22 22 ILE N N 22 125.699 125.699 127.037 -1.338 19549 2242 1 9 . 1 1 22 22 ILE HA H 22 4.061 4.061 4.568 -0.507 19549 2243 1 9 . 1 1 22 22 ILE CA C 22 59.160 59.160 58.245 0.915 19549 2244 1 9 . 1 1 22 22 ILE CB C 22 33.845 33.845 38.001 -4.156 19549 2245 1 9 . 1 1 22 22 ILE H H 22 8.108 8.108 8.379 -0.271 19549 2246 1 9 . 1 1 23 23 LEU N N 23 129.578 129.578 128.825 0.753 19549 2247 1 9 . 1 1 23 23 LEU HA H 23 4.594 4.594 4.311 0.283 19549 2248 1 9 . 1 1 23 23 LEU CA C 23 56.030 56.030 56.118 -0.088 19549 2249 1 9 . 1 1 23 23 LEU CB C 23 42.217 42.217 41.752 0.465 19549 2250 1 9 . 1 1 23 23 LEU H H 23 8.756 8.756 8.500 0.256 19549 2251 1 9 . 1 1 24 24 GLY N N 24 104.272 104.272 103.995 0.277 19549 2252 1 9 . 1 1 24 24 GLY CA C 24 45.970 45.970 45.021 0.949 19549 2253 1 9 . 1 1 24 24 GLY H H 24 7.514 7.514 7.632 -0.118 19549 2254 1 9 . 1 1 25 25 VAL N N 25 120.134 120.134 115.934 4.200 19549 2255 1 9 . 1 1 25 25 VAL HA H 25 4.647 4.647 5.112 -0.465 19549 2256 1 9 . 1 1 25 25 VAL CA C 25 61.531 61.531 58.762 2.769 19549 2257 1 9 . 1 1 25 25 VAL CB C 25 35.904 35.904 36.212 -0.308 19549 2258 1 9 . 1 1 25 25 VAL H H 25 8.395 8.395 8.283 0.112 19549 2259 1 9 . 1 1 26 26 SER N N 26 121.285 121.285 118.860 2.425 19549 2260 1 9 . 1 1 26 26 SER HA H 26 4.603 4.603 4.747 -0.144 19549 2261 1 9 . 1 1 26 26 SER CA C 26 54.493 54.493 58.095 -3.602 19549 2262 1 9 . 1 1 26 26 SER CB C 26 63.660 63.660 63.899 -0.239 19549 2263 1 9 . 1 1 26 26 SER H H 26 8.572 8.572 8.620 -0.048 19549 2264 1 9 . 1 1 27 27 GLY N N 27 118.284 118.284 115.476 2.808 19549 2265 1 9 . 1 1 27 27 GLY CA C 27 47.497 47.497 46.515 0.982 19549 2266 1 9 . 1 1 27 27 GLY H H 27 9.023 9.023 8.545 0.478 19549 2267 1 9 . 1 1 28 28 GLN N N 28 124.451 124.451 123.233 1.218 19549 2268 1 9 . 1 1 28 28 GLN HA H 28 4.279 4.279 4.513 -0.234 19549 2269 1 9 . 1 1 28 28 GLN CA C 28 55.059 55.059 55.473 -0.414 19549 2270 1 9 . 1 1 28 28 GLN CB C 28 29.318 29.318 29.530 -0.212 19549 2271 1 9 . 1 1 28 28 GLN H H 28 8.677 8.677 8.490 0.187 19549 2272 1 9 . 1 1 29 29 GLN N N 29 117.498 117.498 120.780 -3.282 19549 2273 1 9 . 1 1 29 29 GLN HA H 29 4.634 4.634 4.392 0.242 19549 2274 1 9 . 1 1 29 29 GLN CA C 29 55.294 55.294 56.141 -0.847 19549 2275 1 9 . 1 1 29 29 GLN CB C 29 31.664 31.664 29.725 1.939 19549 2276 1 9 . 1 1 29 29 GLN H H 29 8.008 8.008 7.682 0.326 19549 2277 1 9 . 1 1 30 30 VAL N N 30 124.525 124.525 122.521 2.004 19549 2278 1 9 . 1 1 30 30 VAL HA H 30 4.529 4.529 4.483 0.046 19549 2279 1 9 . 1 1 30 30 VAL CA C 30 60.568 60.568 61.653 -1.085 19549 2280 1 9 . 1 1 30 30 VAL CB C 30 34.606 34.606 33.789 0.817 19549 2281 1 9 . 1 1 30 30 VAL H H 30 9.147 9.147 8.485 0.662 19549 2282 1 9 . 1 1 31 31 ARG N N 31 128.593 128.593 128.885 -0.292 19549 2283 1 9 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.476 0.161 19549 2284 1 9 . 1 1 31 31 ARG CA C 31 55.501 55.501 55.621 -0.120 19549 2285 1 9 . 1 1 31 31 ARG CB C 31 31.889 31.889 31.071 0.818 19549 2286 1 9 . 1 1 31 31 ARG H H 31 8.690 8.690 8.732 -0.042 19549 2287 1 9 . 1 1 32 32 ILE N N 32 127.666 127.666 123.733 3.933 19549 2288 1 9 . 1 1 32 32 ILE HA H 32 4.613 4.613 4.974 -0.361 19549 2289 1 9 . 1 1 32 32 ILE CA C 32 59.838 59.838 59.306 0.532 19549 2290 1 9 . 1 1 32 32 ILE CB C 32 41.183 41.183 42.036 -0.853 19549 2291 1 9 . 1 1 32 32 ILE H H 32 9.114 9.114 8.394 0.720 19549 2292 1 9 . 1 1 33 33 GLY N N 33 112.830 112.830 111.209 1.621 19549 2293 1 9 . 1 1 33 33 GLY CA C 33 44.730 44.730 43.800 0.930 19549 2294 1 9 . 1 1 33 33 GLY H H 33 9.177 9.177 8.991 0.186 19549 2295 1 9 . 1 1 34 34 ILE N N 34 125.226 125.226 120.395 4.831 19549 2296 1 9 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.651 0.152 19549 2297 1 9 . 1 1 34 34 ILE CA C 34 61.001 61.001 60.633 0.368 19549 2298 1 9 . 1 1 34 34 ILE CB C 34 41.080 41.080 42.072 -0.992 19549 2299 1 9 . 1 1 34 34 ILE H H 34 9.637 9.637 8.189 1.448 19549 2300 1 9 . 1 1 35 35 ASN N N 35 129.590 129.590 125.573 4.017 19549 2301 1 9 . 1 1 35 35 ASN HA H 35 5.094 5.094 5.011 0.083 19549 2302 1 9 . 1 1 35 35 ASN CA C 35 52.185 52.185 52.103 0.082 19549 2303 1 9 . 1 1 35 35 ASN CB C 35 40.108 40.108 40.054 0.054 19549 2304 1 9 . 1 1 35 35 ASN H H 35 9.029 9.029 8.985 0.044 19549 2305 1 9 . 1 1 36 36 ALA N N 36 125.688 125.688 128.230 -2.542 19549 2306 1 9 . 1 1 36 36 ALA HA H 36 5.063 5.063 5.254 -0.191 19549 2307 1 9 . 1 1 36 36 ALA CA C 36 49.365 49.365 49.232 0.133 19549 2308 1 9 . 1 1 36 36 ALA CB C 36 19.873 19.873 20.932 -1.059 19549 2309 1 9 . 1 1 36 36 ALA H H 36 8.208 8.208 8.087 0.121 19549 2310 1 9 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.518 -0.103 19549 2311 1 9 . 1 1 37 37 PRO CA C 37 62.916 62.916 62.268 0.648 19549 2312 1 9 . 1 1 37 37 PRO CB C 37 32.477 32.477 32.444 0.033 19549 2313 1 9 . 1 1 38 38 LYS N N 38 121.103 121.103 119.333 1.770 19549 2314 1 9 . 1 1 38 38 LYS HA H 38 3.825 3.825 4.046 -0.221 19549 2315 1 9 . 1 1 38 38 LYS CA C 38 58.927 58.927 57.718 1.209 19549 2316 1 9 . 1 1 38 38 LYS CB C 38 32.014 32.014 31.966 0.048 19549 2317 1 9 . 1 1 38 38 LYS H H 38 8.550 8.550 8.611 -0.061 19549 2318 1 9 . 1 1 39 39 ASP N N 39 113.829 113.829 118.405 -4.576 19549 2319 1 9 . 1 1 39 39 ASP HA H 39 4.374 4.374 4.558 -0.184 19549 2320 1 9 . 1 1 39 39 ASP CA C 39 54.078 54.078 55.244 -1.166 19549 2321 1 9 . 1 1 39 39 ASP CB C 39 39.822 39.822 41.216 -1.394 19549 2322 1 9 . 1 1 39 39 ASP H H 39 8.143 8.143 8.143 0.000 19549 2323 1 9 . 1 1 40 40 VAL N N 40 122.624 122.624 115.241 7.383 19549 2324 1 9 . 1 1 40 40 VAL HA H 40 3.980 3.980 4.465 -0.485 19549 2325 1 9 . 1 1 40 40 VAL CA C 40 62.040 62.040 59.663 2.377 19549 2326 1 9 . 1 1 40 40 VAL CB C 40 31.928 31.928 35.145 -3.217 19549 2327 1 9 . 1 1 40 40 VAL H H 40 8.020 8.020 7.494 0.526 19549 2328 1 9 . 1 1 41 41 ALA N N 41 133.718 133.718 123.915 9.803 19549 2329 1 9 . 1 1 41 41 ALA HA H 41 4.474 4.474 4.636 -0.162 19549 2330 1 9 . 1 1 41 41 ALA CA C 41 52.263 52.263 51.307 0.956 19549 2331 1 9 . 1 1 41 41 ALA CB C 41 19.155 19.155 19.664 -0.509 19549 2332 1 9 . 1 1 41 41 ALA H H 41 8.897 8.897 8.230 0.667 19549 2333 1 9 . 1 1 42 42 VAL N N 42 125.194 125.194 120.696 4.498 19549 2334 1 9 . 1 1 42 42 VAL HA H 42 4.434 4.434 4.242 0.192 19549 2335 1 9 . 1 1 42 42 VAL CA C 42 60.771 60.771 61.733 -0.962 19549 2336 1 9 . 1 1 42 42 VAL CB C 42 33.599 33.599 33.242 0.357 19549 2337 1 9 . 1 1 42 42 VAL H H 42 7.847 7.847 7.845 0.002 19549 2338 1 9 . 1 1 43 43 HIS N N 43 118.938 118.938 124.309 -5.371 19549 2339 1 9 . 1 1 43 43 HIS HA H 43 5.566 5.566 4.983 0.583 19549 2340 1 9 . 1 1 43 43 HIS CA C 43 53.931 53.931 55.250 -1.319 19549 2341 1 9 . 1 1 43 43 HIS CB C 43 37.649 37.649 31.746 5.903 19549 2342 1 9 . 1 1 43 43 HIS H H 43 8.644 8.644 8.301 0.343 19549 2343 1 9 . 1 1 44 44 ARG N N 44 122.301 122.301 121.245 1.056 19549 2344 1 9 . 1 1 44 44 ARG HA H 44 3.970 3.970 4.396 -0.426 19549 2345 1 9 . 1 1 44 44 ARG CA C 44 58.580 58.580 55.712 2.868 19549 2346 1 9 . 1 1 44 44 ARG H H 44 8.828 8.828 8.705 0.123 19549 2347 1 9 . 1 1 45 45 GLU N N 45 126.010 126.010 122.088 3.922 19549 2348 1 9 . 1 1 45 45 GLU HA H 45 4.417 4.417 4.052 0.365 19549 2349 1 9 . 1 1 45 45 GLU CA C 45 59.945 59.945 59.548 0.397 19549 2350 1 9 . 1 1 45 45 GLU CB C 45 29.981 29.981 29.686 0.295 19549 2351 1 9 . 1 1 45 45 GLU H H 45 7.895 7.895 8.893 -0.998 19549 2352 1 9 . 1 1 46 46 GLU N N 46 118.177 118.177 117.830 0.347 19549 2353 1 9 . 1 1 46 46 GLU HA H 46 4.269 4.269 4.149 0.120 19549 2354 1 9 . 1 1 46 46 GLU CA C 46 58.726 58.726 58.974 -0.248 19549 2355 1 9 . 1 1 46 46 GLU CB C 46 27.085 27.085 29.403 -2.318 19549 2356 1 9 . 1 1 46 46 GLU H H 46 10.765 10.765 8.607 2.158 19549 2357 1 9 . 1 1 47 47 ILE N N 47 122.543 122.543 119.075 3.468 19549 2358 1 9 . 1 1 47 47 ILE HA H 47 3.796 3.796 3.934 -0.138 19549 2359 1 9 . 1 1 47 47 ILE CA C 47 61.102 61.102 62.033 -0.931 19549 2360 1 9 . 1 1 47 47 ILE CB C 47 35.713 35.713 38.100 -2.387 19549 2361 1 9 . 1 1 47 47 ILE H H 47 7.197 7.197 7.564 -0.367 19549 2362 1 9 . 1 1 48 48 TYR N N 48 122.234 122.234 122.136 0.098 19549 2363 1 9 . 1 1 48 48 TYR HA H 48 3.655 3.655 3.949 -0.294 19549 2364 1 9 . 1 1 48 48 TYR CA C 48 62.312 62.312 61.772 0.540 19549 2365 1 9 . 1 1 48 48 TYR CB C 48 39.249 39.249 38.200 1.049 19549 2366 1 9 . 1 1 48 48 TYR H H 48 8.134 8.134 8.561 -0.427 19549 2367 1 9 . 1 1 49 49 GLN N N 49 115.293 115.293 116.781 -1.488 19549 2368 1 9 . 1 1 49 49 GLN HA H 49 3.856 3.856 4.007 -0.151 19549 2369 1 9 . 1 1 49 49 GLN CA C 49 58.599 58.599 58.105 0.494 19549 2370 1 9 . 1 1 49 49 GLN CB C 49 28.265 28.265 28.306 -0.041 19549 2371 1 9 . 1 1 49 49 GLN H H 49 8.658 8.658 8.201 0.457 19549 2372 1 9 . 1 1 50 50 ARG N N 50 120.188 120.188 118.359 1.829 19549 2373 1 9 . 1 1 50 50 ARG HA H 50 3.983 3.983 4.172 -0.189 19549 2374 1 9 . 1 1 50 50 ARG CA C 50 59.219 59.219 57.800 1.419 19549 2375 1 9 . 1 1 50 50 ARG CB C 50 30.367 30.367 30.141 0.226 19549 2376 1 9 . 1 1 50 50 ARG H H 50 7.135 7.135 7.835 -0.700 19549 2377 1 9 . 1 1 51 51 ILE N N 51 120.791 120.791 121.641 -0.850 19549 2378 1 9 . 1 1 51 51 ILE HA H 51 3.628 3.628 3.833 -0.205 19549 2379 1 9 . 1 1 51 51 ILE CA C 51 64.528 64.528 64.064 0.464 19549 2380 1 9 . 1 1 51 51 ILE CB C 51 38.019 38.019 37.833 0.186 19549 2381 1 9 . 1 1 51 51 ILE H H 51 7.897 7.897 7.496 0.401 19549 2382 1 9 . 1 1 52 52 GLN N N 52 118.963 118.963 117.403 1.560 19549 2383 1 9 . 1 1 52 52 GLN HA H 52 3.808 3.808 4.000 -0.192 19549 2384 1 9 . 1 1 52 52 GLN CA C 52 57.546 57.546 56.723 0.823 19549 2385 1 9 . 1 1 52 52 GLN CB C 52 28.215 28.215 26.638 1.577 19549 2386 1 9 . 1 1 52 52 GLN H H 52 7.915 7.915 7.442 0.473 19549 2387 1 9 . 1 1 53 53 ALA N N 53 120.242 120.242 120.751 -0.509 19549 2388 1 9 . 1 1 53 53 ALA HA H 53 4.190 4.190 4.211 -0.021 19549 2389 1 9 . 1 1 53 53 ALA CA C 53 53.069 53.069 52.535 0.534 19549 2390 1 9 . 1 1 53 53 ALA CB C 53 18.757 18.757 19.161 -0.404 19549 2391 1 9 . 1 1 53 53 ALA H H 53 7.558 7.558 7.329 0.229 19549 2392 1 9 . 1 1 54 54 GLY N N 54 105.982 105.982 104.877 1.105 19549 2393 1 9 . 1 1 54 54 GLY CA C 54 45.670 45.670 44.825 0.845 19549 2394 1 9 . 1 1 54 54 GLY H H 54 7.714 7.714 7.934 -0.220 19549 2395 1 9 . 1 1 55 55 LEU N N 55 120.632 120.632 116.955 3.677 19549 2396 1 9 . 1 1 55 55 LEU HA H 55 4.320 4.320 5.058 -0.738 19549 2397 1 9 . 1 1 55 55 LEU CA C 55 55.352 55.352 53.453 1.899 19549 2398 1 9 . 1 1 55 55 LEU CB C 55 42.303 42.303 43.420 -1.117 19549 2399 1 9 . 1 1 55 55 LEU H H 55 7.725 7.725 8.347 -0.622 19549 2400 1 9 . 1 1 56 56 THR N N 56 113.330 113.330 108.136 5.194 19549 2401 1 9 . 1 1 56 56 THR HA H 56 4.258 4.258 4.499 -0.241 19549 2402 1 9 . 1 1 56 56 THR CA C 56 61.410 61.410 62.583 -1.173 19549 2403 1 9 . 1 1 56 56 THR CB C 56 70.101 70.101 69.253 0.848 19549 2404 1 9 . 1 1 56 56 THR H H 56 7.902 7.902 8.307 -0.405 19549 2405 1 9 . 1 1 57 57 ALA N N 57 127.054 127.054 123.411 3.643 19549 2406 1 9 . 1 1 57 57 ALA HA H 57 4.475 4.475 4.583 -0.108 19549 2407 1 9 . 1 1 57 57 ALA CA C 57 50.560 50.560 50.270 0.290 19549 2408 1 9 . 1 1 57 57 ALA CB C 57 18.502 18.502 19.336 -0.834 19549 2409 1 9 . 1 1 57 57 ALA H H 57 8.050 8.050 7.489 0.561 19549 2410 1 9 . 1 1 58 58 PRO HA H 58 4.269 4.269 4.210 0.059 19549 2411 1 9 . 1 1 58 58 PRO CA C 58 63.723 63.723 64.092 -0.369 19549 2412 1 9 . 1 1 58 58 PRO CB C 58 31.907 31.907 32.069 -0.162 19549 2413 1 10 . 1 1 2 2 LEU N N 2 124.131 124.131 125.442 -1.311 19549 2414 1 10 . 1 1 2 2 LEU HA H 2 4.628 4.628 5.139 -0.511 19549 2415 1 10 . 1 1 2 2 LEU CA C 2 54.587 54.587 53.906 0.681 19549 2416 1 10 . 1 1 2 2 LEU CB C 2 42.584 42.584 44.961 -2.377 19549 2417 1 10 . 1 1 2 2 LEU H H 2 8.398 8.398 8.908 -0.510 19549 2418 1 10 . 1 1 3 3 ILE N N 3 130.553 130.553 121.019 9.534 19549 2419 1 10 . 1 1 3 3 ILE HA H 3 5.008 5.008 4.423 0.585 19549 2420 1 10 . 1 1 3 3 ILE CA C 3 60.327 60.327 60.794 -0.467 19549 2421 1 10 . 1 1 3 3 ILE CB C 3 38.133 38.133 39.015 -0.882 19549 2422 1 10 . 1 1 3 3 ILE H H 3 10.460 10.460 8.053 2.407 19549 2423 1 10 . 1 1 4 4 LEU N N 4 125.358 125.358 124.864 0.494 19549 2424 1 10 . 1 1 4 4 LEU HA H 4 4.963 4.963 4.721 0.242 19549 2425 1 10 . 1 1 4 4 LEU CA C 4 52.865 52.865 54.158 -1.293 19549 2426 1 10 . 1 1 4 4 LEU CB C 4 46.677 46.677 44.276 2.401 19549 2427 1 10 . 1 1 4 4 LEU H H 4 8.905 8.905 8.183 0.722 19549 2428 1 10 . 1 1 5 5 THR N N 5 116.751 116.751 116.876 -0.125 19549 2429 1 10 . 1 1 5 5 THR HA H 5 5.488 5.488 4.625 0.863 19549 2430 1 10 . 1 1 5 5 THR CA C 5 60.717 60.717 61.918 -1.201 19549 2431 1 10 . 1 1 5 5 THR CB C 5 69.781 69.781 69.354 0.427 19549 2432 1 10 . 1 1 5 5 THR H H 5 9.479 9.479 8.185 1.294 19549 2433 1 10 . 1 1 6 6 ARG N N 6 124.665 124.665 126.692 -2.027 19549 2434 1 10 . 1 1 6 6 ARG HA H 6 4.989 4.989 4.534 0.455 19549 2435 1 10 . 1 1 6 6 ARG CA C 6 55.266 55.266 55.374 -0.109 19549 2436 1 10 . 1 1 6 6 ARG CB C 6 38.593 38.593 32.520 6.073 19549 2437 1 10 . 1 1 6 6 ARG H H 6 9.293 9.293 8.432 0.861 19549 2438 1 10 . 1 1 7 7 LYS N N 7 123.257 123.257 121.824 1.433 19549 2439 1 10 . 1 1 7 7 LYS HA H 7 5.102 5.102 4.689 0.413 19549 2440 1 10 . 1 1 7 7 LYS CA C 7 54.238 54.238 54.885 -0.647 19549 2441 1 10 . 1 1 7 7 LYS CB C 7 34.302 34.302 34.884 -0.582 19549 2442 1 10 . 1 1 7 7 LYS H H 7 9.412 9.412 9.011 0.401 19549 2443 1 10 . 1 1 8 8 VAL N N 8 118.052 118.052 118.098 -0.046 19549 2444 1 10 . 1 1 8 8 VAL HA H 8 3.277 3.277 3.994 -0.717 19549 2445 1 10 . 1 1 8 8 VAL CA C 8 65.940 65.940 63.254 2.686 19549 2446 1 10 . 1 1 8 8 VAL CB C 8 31.648 31.648 31.189 0.459 19549 2447 1 10 . 1 1 8 8 VAL H H 8 7.480 7.480 8.301 -0.821 19549 2448 1 10 . 1 1 9 9 GLY N N 9 115.983 115.983 114.406 1.577 19549 2449 1 10 . 1 1 9 9 GLY CA C 9 44.555 44.555 44.929 -0.374 19549 2450 1 10 . 1 1 9 9 GLY H H 9 9.192 9.192 9.370 -0.178 19549 2451 1 10 . 1 1 10 10 GLU N N 10 119.194 119.194 119.387 -0.193 19549 2452 1 10 . 1 1 10 10 GLU HA H 10 4.886 4.886 4.778 0.108 19549 2453 1 10 . 1 1 10 10 GLU CA C 10 55.870 55.870 54.846 1.024 19549 2454 1 10 . 1 1 10 10 GLU CB C 10 33.038 33.038 32.117 0.921 19549 2455 1 10 . 1 1 10 10 GLU H H 10 8.294 8.294 7.862 0.432 19549 2456 1 10 . 1 1 11 11 SER N N 11 112.576 112.576 113.205 -0.629 19549 2457 1 10 . 1 1 11 11 SER HA H 11 5.875 5.875 5.264 0.611 19549 2458 1 10 . 1 1 11 11 SER CA C 11 58.033 58.033 57.207 0.826 19549 2459 1 10 . 1 1 11 11 SER CB C 11 67.006 67.006 66.555 0.451 19549 2460 1 10 . 1 1 11 11 SER H H 11 8.651 8.651 8.402 0.249 19549 2461 1 10 . 1 1 12 12 ILE N N 12 124.514 124.514 119.299 5.215 19549 2462 1 10 . 1 1 12 12 ILE HA H 12 4.383 4.383 4.474 -0.091 19549 2463 1 10 . 1 1 12 12 ILE CA C 12 60.041 60.041 60.652 -0.611 19549 2464 1 10 . 1 1 12 12 ILE CB C 12 42.818 42.818 42.965 -0.147 19549 2465 1 10 . 1 1 12 12 ILE H H 12 9.266 9.266 8.722 0.544 19549 2466 1 10 . 1 1 13 13 ASN N N 13 126.280 126.280 121.304 4.976 19549 2467 1 10 . 1 1 13 13 ASN HA H 13 4.991 4.991 5.100 -0.109 19549 2468 1 10 . 1 1 13 13 ASN CA C 13 53.546 53.546 52.207 1.339 19549 2469 1 10 . 1 1 13 13 ASN CB C 13 41.558 41.558 42.108 -0.550 19549 2470 1 10 . 1 1 13 13 ASN H H 13 9.360 9.360 8.400 0.960 19549 2471 1 10 . 1 1 14 14 ILE N N 14 123.986 123.986 120.372 3.614 19549 2472 1 10 . 1 1 14 14 ILE HA H 14 4.439 4.439 4.437 0.002 19549 2473 1 10 . 1 1 14 14 ILE CA C 14 60.646 60.646 60.657 -0.011 19549 2474 1 10 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.606 -3.097 19549 2475 1 10 . 1 1 14 14 ILE H H 14 8.425 8.425 8.497 -0.072 19549 2476 1 10 . 1 1 15 15 GLY N N 15 115.388 115.388 113.212 2.176 19549 2477 1 10 . 1 1 15 15 GLY CA C 15 46.004 46.004 46.172 -0.168 19549 2478 1 10 . 1 1 15 15 GLY H H 15 9.067 9.067 8.643 0.424 19549 2479 1 10 . 1 1 16 16 ASP N N 16 120.794 120.794 122.759 -1.965 19549 2480 1 10 . 1 1 16 16 ASP HA H 16 4.958 4.958 4.734 0.224 19549 2481 1 10 . 1 1 16 16 ASP CA C 16 55.353 55.353 54.274 1.079 19549 2482 1 10 . 1 1 16 16 ASP CB C 16 42.388 42.388 41.507 0.881 19549 2483 1 10 . 1 1 16 16 ASP H H 16 8.760 8.760 8.383 0.377 19549 2484 1 10 . 1 1 17 17 ASP N N 17 115.630 115.630 119.851 -4.221 19549 2485 1 10 . 1 1 17 17 ASP HA H 17 4.748 4.748 4.844 -0.096 19549 2486 1 10 . 1 1 17 17 ASP CA C 17 54.200 54.200 54.068 0.132 19549 2487 1 10 . 1 1 17 17 ASP CB C 17 42.610 42.610 43.751 -1.141 19549 2488 1 10 . 1 1 17 17 ASP H H 17 8.159 8.159 7.983 0.176 19549 2489 1 10 . 1 1 18 18 ILE N N 18 118.662 118.662 120.298 -1.636 19549 2490 1 10 . 1 1 18 18 ILE HA H 18 5.229 5.229 5.196 0.033 19549 2491 1 10 . 1 1 18 18 ILE CA C 18 60.093 60.093 60.018 0.075 19549 2492 1 10 . 1 1 18 18 ILE CB C 18 39.842 39.842 42.149 -2.307 19549 2493 1 10 . 1 1 18 18 ILE H H 18 7.168 7.168 7.759 -0.591 19549 2494 1 10 . 1 1 19 19 THR N N 19 122.951 122.951 120.592 2.359 19549 2495 1 10 . 1 1 19 19 THR HA H 19 5.125 5.125 5.005 0.120 19549 2496 1 10 . 1 1 19 19 THR CA C 19 60.957 60.957 61.370 -0.413 19549 2497 1 10 . 1 1 19 19 THR CB C 19 71.814 71.814 72.441 -0.627 19549 2498 1 10 . 1 1 19 19 THR H H 19 8.929 8.929 8.792 0.137 19549 2499 1 10 . 1 1 20 20 ILE N N 20 123.522 123.522 122.244 1.278 19549 2500 1 10 . 1 1 20 20 ILE HA H 20 4.929 4.929 4.985 -0.056 19549 2501 1 10 . 1 1 20 20 ILE CA C 20 58.829 58.829 59.233 -0.404 19549 2502 1 10 . 1 1 20 20 ILE CB C 20 40.386 40.386 42.015 -1.629 19549 2503 1 10 . 1 1 20 20 ILE H H 20 8.933 8.933 9.194 -0.261 19549 2504 1 10 . 1 1 21 21 THR N N 21 123.651 123.651 119.897 3.754 19549 2505 1 10 . 1 1 21 21 THR HA H 21 4.830 4.830 4.952 -0.122 19549 2506 1 10 . 1 1 21 21 THR CA C 21 61.581 61.581 61.496 0.085 19549 2507 1 10 . 1 1 21 21 THR CB C 21 72.037 72.037 72.537 -0.500 19549 2508 1 10 . 1 1 21 21 THR H H 21 9.395 9.395 8.920 0.475 19549 2509 1 10 . 1 1 22 22 ILE N N 22 125.699 125.699 127.100 -1.401 19549 2510 1 10 . 1 1 22 22 ILE HA H 22 4.061 4.061 4.662 -0.601 19549 2511 1 10 . 1 1 22 22 ILE CA C 22 59.160 59.160 58.247 0.913 19549 2512 1 10 . 1 1 22 22 ILE CB C 22 33.845 33.845 37.984 -4.139 19549 2513 1 10 . 1 1 22 22 ILE H H 22 8.108 8.108 8.358 -0.250 19549 2514 1 10 . 1 1 23 23 LEU N N 23 129.578 129.578 129.936 -0.358 19549 2515 1 10 . 1 1 23 23 LEU HA H 23 4.594 4.594 4.156 0.438 19549 2516 1 10 . 1 1 23 23 LEU CA C 23 56.030 56.030 56.242 -0.212 19549 2517 1 10 . 1 1 23 23 LEU CB C 23 42.217 42.217 41.897 0.320 19549 2518 1 10 . 1 1 23 23 LEU H H 23 8.756 8.756 8.359 0.397 19549 2519 1 10 . 1 1 24 24 GLY N N 24 104.272 104.272 104.097 0.175 19549 2520 1 10 . 1 1 24 24 GLY CA C 24 45.970 45.970 44.741 1.229 19549 2521 1 10 . 1 1 24 24 GLY H H 24 7.514 7.514 7.550 -0.036 19549 2522 1 10 . 1 1 25 25 VAL N N 25 120.134 120.134 115.888 4.246 19549 2523 1 10 . 1 1 25 25 VAL HA H 25 4.647 4.647 5.002 -0.355 19549 2524 1 10 . 1 1 25 25 VAL CA C 25 61.531 61.531 58.804 2.727 19549 2525 1 10 . 1 1 25 25 VAL CB C 25 35.904 35.904 35.889 0.015 19549 2526 1 10 . 1 1 25 25 VAL H H 25 8.395 8.395 8.385 0.010 19549 2527 1 10 . 1 1 26 26 SER N N 26 121.285 121.285 116.729 4.556 19549 2528 1 10 . 1 1 26 26 SER HA H 26 4.603 4.603 4.645 -0.042 19549 2529 1 10 . 1 1 26 26 SER CA C 26 54.493 54.493 57.512 -3.019 19549 2530 1 10 . 1 1 26 26 SER CB C 26 63.660 63.660 64.073 -0.413 19549 2531 1 10 . 1 1 26 26 SER H H 26 8.572 8.572 8.972 -0.400 19549 2532 1 10 . 1 1 27 27 GLY N N 27 118.284 118.284 115.289 2.995 19549 2533 1 10 . 1 1 27 27 GLY CA C 27 47.497 47.497 46.357 1.140 19549 2534 1 10 . 1 1 27 27 GLY H H 27 9.023 9.023 8.568 0.455 19549 2535 1 10 . 1 1 28 28 GLN N N 28 124.451 124.451 123.117 1.334 19549 2536 1 10 . 1 1 28 28 GLN HA H 28 4.279 4.279 4.392 -0.113 19549 2537 1 10 . 1 1 28 28 GLN CA C 28 55.059 55.059 55.744 -0.685 19549 2538 1 10 . 1 1 28 28 GLN CB C 28 29.318 29.318 29.231 0.087 19549 2539 1 10 . 1 1 28 28 GLN H H 28 8.677 8.677 8.563 0.114 19549 2540 1 10 . 1 1 29 29 GLN N N 29 117.498 117.498 120.021 -2.523 19549 2541 1 10 . 1 1 29 29 GLN HA H 29 4.634 4.634 4.360 0.274 19549 2542 1 10 . 1 1 29 29 GLN CA C 29 55.294 55.294 56.722 -1.428 19549 2543 1 10 . 1 1 29 29 GLN CB C 29 31.664 31.664 29.958 1.706 19549 2544 1 10 . 1 1 29 29 GLN H H 29 8.008 8.008 7.697 0.311 19549 2545 1 10 . 1 1 30 30 VAL N N 30 124.525 124.525 123.595 0.930 19549 2546 1 10 . 1 1 30 30 VAL HA H 30 4.529 4.529 4.455 0.074 19549 2547 1 10 . 1 1 30 30 VAL CA C 30 60.568 60.568 61.395 -0.827 19549 2548 1 10 . 1 1 30 30 VAL CB C 30 34.606 34.606 33.953 0.653 19549 2549 1 10 . 1 1 30 30 VAL H H 30 9.147 9.147 8.368 0.779 19549 2550 1 10 . 1 1 31 31 ARG N N 31 128.593 128.593 127.938 0.655 19549 2551 1 10 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.523 0.114 19549 2552 1 10 . 1 1 31 31 ARG CA C 31 55.501 55.501 55.064 0.437 19549 2553 1 10 . 1 1 31 31 ARG CB C 31 31.889 31.889 30.255 1.634 19549 2554 1 10 . 1 1 31 31 ARG H H 31 8.690 8.690 8.633 0.057 19549 2555 1 10 . 1 1 32 32 ILE N N 32 127.666 127.666 123.192 4.474 19549 2556 1 10 . 1 1 32 32 ILE HA H 32 4.613 4.613 5.026 -0.413 19549 2557 1 10 . 1 1 32 32 ILE CA C 32 59.838 59.838 59.415 0.423 19549 2558 1 10 . 1 1 32 32 ILE CB C 32 41.183 41.183 41.924 -0.741 19549 2559 1 10 . 1 1 32 32 ILE H H 32 9.114 9.114 8.386 0.728 19549 2560 1 10 . 1 1 33 33 GLY N N 33 112.830 112.830 111.613 1.217 19549 2561 1 10 . 1 1 33 33 GLY CA C 33 44.730 44.730 43.988 0.742 19549 2562 1 10 . 1 1 33 33 GLY H H 33 9.177 9.177 8.903 0.274 19549 2563 1 10 . 1 1 34 34 ILE N N 34 125.226 125.226 119.953 5.273 19549 2564 1 10 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.839 -0.036 19549 2565 1 10 . 1 1 34 34 ILE CA C 34 61.001 61.001 60.288 0.713 19549 2566 1 10 . 1 1 34 34 ILE CB C 34 41.080 41.080 42.549 -1.469 19549 2567 1 10 . 1 1 34 34 ILE H H 34 9.637 9.637 8.203 1.434 19549 2568 1 10 . 1 1 35 35 ASN N N 35 129.590 129.590 123.968 5.622 19549 2569 1 10 . 1 1 35 35 ASN HA H 35 5.094 5.094 4.979 0.115 19549 2570 1 10 . 1 1 35 35 ASN CA C 35 52.185 52.185 52.831 -0.646 19549 2571 1 10 . 1 1 35 35 ASN CB C 35 40.108 40.108 41.025 -0.917 19549 2572 1 10 . 1 1 35 35 ASN H H 35 9.029 9.029 8.808 0.221 19549 2573 1 10 . 1 1 36 36 ALA N N 36 125.688 125.688 128.095 -2.407 19549 2574 1 10 . 1 1 36 36 ALA HA H 36 5.063 5.063 5.193 -0.130 19549 2575 1 10 . 1 1 36 36 ALA CA C 36 49.365 49.365 49.611 -0.246 19549 2576 1 10 . 1 1 36 36 ALA CB C 36 19.873 19.873 20.958 -1.085 19549 2577 1 10 . 1 1 36 36 ALA H H 36 8.208 8.208 8.181 0.027 19549 2578 1 10 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.582 -0.167 19549 2579 1 10 . 1 1 37 37 PRO CA C 37 62.916 62.916 62.250 0.666 19549 2580 1 10 . 1 1 37 37 PRO CB C 37 32.477 32.477 32.246 0.231 19549 2581 1 10 . 1 1 38 38 LYS N N 38 121.103 121.103 120.661 0.442 19549 2582 1 10 . 1 1 38 38 LYS HA H 38 3.825 3.825 4.115 -0.290 19549 2583 1 10 . 1 1 38 38 LYS CA C 38 58.927 58.927 57.638 1.289 19549 2584 1 10 . 1 1 38 38 LYS CB C 38 32.014 32.014 31.788 0.226 19549 2585 1 10 . 1 1 38 38 LYS H H 38 8.550 8.550 8.468 0.082 19549 2586 1 10 . 1 1 39 39 ASP N N 39 113.829 113.829 118.700 -4.871 19549 2587 1 10 . 1 1 39 39 ASP HA H 39 4.374 4.374 4.491 -0.117 19549 2588 1 10 . 1 1 39 39 ASP CA C 39 54.078 54.078 54.804 -0.726 19549 2589 1 10 . 1 1 39 39 ASP CB C 39 39.822 39.822 41.075 -1.253 19549 2590 1 10 . 1 1 39 39 ASP H H 39 8.143 8.143 8.248 -0.105 19549 2591 1 10 . 1 1 40 40 VAL N N 40 122.624 122.624 114.320 8.304 19549 2592 1 10 . 1 1 40 40 VAL HA H 40 3.980 3.980 4.471 -0.491 19549 2593 1 10 . 1 1 40 40 VAL CA C 40 62.040 62.040 59.693 2.347 19549 2594 1 10 . 1 1 40 40 VAL CB C 40 31.928 31.928 35.453 -3.525 19549 2595 1 10 . 1 1 40 40 VAL H H 40 8.020 8.020 7.436 0.584 19549 2596 1 10 . 1 1 41 41 ALA N N 41 133.718 133.718 125.106 8.612 19549 2597 1 10 . 1 1 41 41 ALA HA H 41 4.474 4.474 4.896 -0.422 19549 2598 1 10 . 1 1 41 41 ALA CA C 41 52.263 52.263 51.146 1.117 19549 2599 1 10 . 1 1 41 41 ALA CB C 41 19.155 19.155 20.125 -0.970 19549 2600 1 10 . 1 1 41 41 ALA H H 41 8.897 8.897 8.269 0.628 19549 2601 1 10 . 1 1 42 42 VAL N N 42 125.194 125.194 120.723 4.471 19549 2602 1 10 . 1 1 42 42 VAL HA H 42 4.434 4.434 4.297 0.137 19549 2603 1 10 . 1 1 42 42 VAL CA C 42 60.771 60.771 61.537 -0.766 19549 2604 1 10 . 1 1 42 42 VAL CB C 42 33.599 33.599 33.131 0.468 19549 2605 1 10 . 1 1 42 42 VAL H H 42 7.847 7.847 7.922 -0.075 19549 2606 1 10 . 1 1 43 43 HIS N N 43 118.938 118.938 124.733 -5.795 19549 2607 1 10 . 1 1 43 43 HIS HA H 43 5.566 5.566 4.960 0.606 19549 2608 1 10 . 1 1 43 43 HIS CA C 43 53.931 53.931 55.294 -1.363 19549 2609 1 10 . 1 1 43 43 HIS CB C 43 37.649 37.649 31.867 5.782 19549 2610 1 10 . 1 1 43 43 HIS H H 43 8.644 8.644 8.340 0.304 19549 2611 1 10 . 1 1 44 44 ARG N N 44 122.301 122.301 120.974 1.327 19549 2612 1 10 . 1 1 44 44 ARG HA H 44 3.970 3.970 4.438 -0.468 19549 2613 1 10 . 1 1 44 44 ARG CA C 44 58.580 58.580 55.610 2.970 19549 2614 1 10 . 1 1 44 44 ARG H H 44 8.828 8.828 8.586 0.242 19549 2615 1 10 . 1 1 45 45 GLU N N 45 126.010 126.010 120.938 5.072 19549 2616 1 10 . 1 1 45 45 GLU HA H 45 4.417 4.417 4.016 0.401 19549 2617 1 10 . 1 1 45 45 GLU CA C 45 59.945 59.945 59.290 0.655 19549 2618 1 10 . 1 1 45 45 GLU CB C 45 29.981 29.981 29.518 0.463 19549 2619 1 10 . 1 1 45 45 GLU H H 45 7.895 7.895 8.936 -1.041 19549 2620 1 10 . 1 1 46 46 GLU N N 46 118.177 118.177 119.168 -0.991 19549 2621 1 10 . 1 1 46 46 GLU HA H 46 4.269 4.269 4.176 0.093 19549 2622 1 10 . 1 1 46 46 GLU CA C 46 58.726 58.726 58.973 -0.247 19549 2623 1 10 . 1 1 46 46 GLU CB C 46 27.085 27.085 29.144 -2.059 19549 2624 1 10 . 1 1 46 46 GLU H H 46 10.765 10.765 8.609 2.156 19549 2625 1 10 . 1 1 47 47 ILE N N 47 122.543 122.543 119.400 3.143 19549 2626 1 10 . 1 1 47 47 ILE HA H 47 3.796 3.796 3.916 -0.120 19549 2627 1 10 . 1 1 47 47 ILE CA C 47 61.102 61.102 62.028 -0.926 19549 2628 1 10 . 1 1 47 47 ILE CB C 47 35.713 35.713 36.854 -1.141 19549 2629 1 10 . 1 1 47 47 ILE H H 47 7.197 7.197 7.587 -0.390 19549 2630 1 10 . 1 1 48 48 TYR N N 48 122.234 122.234 121.704 0.530 19549 2631 1 10 . 1 1 48 48 TYR HA H 48 3.655 3.655 4.018 -0.363 19549 2632 1 10 . 1 1 48 48 TYR CA C 48 62.312 62.312 61.855 0.457 19549 2633 1 10 . 1 1 48 48 TYR CB C 48 39.249 39.249 38.178 1.071 19549 2634 1 10 . 1 1 48 48 TYR H H 48 8.134 8.134 7.996 0.138 19549 2635 1 10 . 1 1 49 49 GLN N N 49 115.293 115.293 116.370 -1.077 19549 2636 1 10 . 1 1 49 49 GLN HA H 49 3.856 3.856 4.064 -0.208 19549 2637 1 10 . 1 1 49 49 GLN CA C 49 58.599 58.599 58.130 0.469 19549 2638 1 10 . 1 1 49 49 GLN CB C 49 28.265 28.265 28.553 -0.288 19549 2639 1 10 . 1 1 49 49 GLN H H 49 8.658 8.658 7.729 0.929 19549 2640 1 10 . 1 1 50 50 ARG N N 50 120.188 120.188 116.941 3.247 19549 2641 1 10 . 1 1 50 50 ARG HA H 50 3.983 3.983 4.179 -0.196 19549 2642 1 10 . 1 1 50 50 ARG CA C 50 59.219 59.219 57.405 1.814 19549 2643 1 10 . 1 1 50 50 ARG CB C 50 30.367 30.367 30.224 0.143 19549 2644 1 10 . 1 1 50 50 ARG H H 50 7.135 7.135 7.563 -0.428 19549 2645 1 10 . 1 1 51 51 ILE N N 51 120.791 120.791 118.092 2.699 19549 2646 1 10 . 1 1 51 51 ILE HA H 51 3.628 3.628 3.979 -0.351 19549 2647 1 10 . 1 1 51 51 ILE CA C 51 64.528 64.528 62.831 1.697 19549 2648 1 10 . 1 1 51 51 ILE CB C 51 38.019 38.019 38.725 -0.706 19549 2649 1 10 . 1 1 51 51 ILE H H 51 7.897 7.897 7.192 0.705 19549 2650 1 10 . 1 1 52 52 GLN N N 52 118.963 118.963 118.430 0.533 19549 2651 1 10 . 1 1 52 52 GLN HA H 52 3.808 3.808 3.969 -0.161 19549 2652 1 10 . 1 1 52 52 GLN CA C 52 57.546 57.546 56.336 1.210 19549 2653 1 10 . 1 1 52 52 GLN CB C 52 28.215 28.215 27.377 0.838 19549 2654 1 10 . 1 1 52 52 GLN H H 52 7.915 7.915 7.668 0.247 19549 2655 1 10 . 1 1 53 53 ALA N N 53 120.242 120.242 120.446 -0.204 19549 2656 1 10 . 1 1 53 53 ALA HA H 53 4.190 4.190 4.189 0.001 19549 2657 1 10 . 1 1 53 53 ALA CA C 53 53.069 53.069 52.786 0.283 19549 2658 1 10 . 1 1 53 53 ALA CB C 53 18.757 18.757 18.818 -0.061 19549 2659 1 10 . 1 1 53 53 ALA H H 53 7.558 7.558 7.698 -0.140 19549 2660 1 10 . 1 1 54 54 GLY N N 54 105.982 105.982 104.498 1.484 19549 2661 1 10 . 1 1 54 54 GLY CA C 54 45.670 45.670 44.925 0.745 19549 2662 1 10 . 1 1 54 54 GLY H H 54 7.714 7.714 7.784 -0.070 19549 2663 1 10 . 1 1 55 55 LEU N N 55 120.632 120.632 116.971 3.661 19549 2664 1 10 . 1 1 55 55 LEU HA H 55 4.320 4.320 5.023 -0.703 19549 2665 1 10 . 1 1 55 55 LEU CA C 55 55.352 55.352 53.671 1.681 19549 2666 1 10 . 1 1 55 55 LEU CB C 55 42.303 42.303 42.809 -0.506 19549 2667 1 10 . 1 1 55 55 LEU H H 55 7.725 7.725 7.992 -0.267 19549 2668 1 10 . 1 1 56 56 THR N N 56 113.330 113.330 108.992 4.338 19549 2669 1 10 . 1 1 56 56 THR HA H 56 4.258 4.258 4.420 -0.162 19549 2670 1 10 . 1 1 56 56 THR CA C 56 61.410 61.410 62.404 -0.994 19549 2671 1 10 . 1 1 56 56 THR CB C 56 70.101 70.101 69.115 0.986 19549 2672 1 10 . 1 1 56 56 THR H H 56 7.902 7.902 8.208 -0.306 19549 2673 1 10 . 1 1 57 57 ALA N N 57 127.054 127.054 124.540 2.514 19549 2674 1 10 . 1 1 57 57 ALA HA H 57 4.475 4.475 4.630 -0.155 19549 2675 1 10 . 1 1 57 57 ALA CA C 57 50.560 50.560 50.569 -0.009 19549 2676 1 10 . 1 1 57 57 ALA CB C 57 18.502 18.502 20.118 -1.616 19549 2677 1 10 . 1 1 57 57 ALA H H 57 8.050 8.050 7.553 0.497 19549 2678 1 10 . 1 1 58 58 PRO HA H 58 4.269 4.269 4.400 -0.131 19549 2679 1 10 . 1 1 58 58 PRO CA C 58 63.723 63.723 62.308 1.415 19549 2680 1 10 . 1 1 58 58 PRO CB C 58 31.907 31.907 32.460 -0.553 19549 2681 1 11 . 1 1 2 2 LEU N N 2 124.131 124.131 125.753 -1.622 19549 2682 1 11 . 1 1 2 2 LEU HA H 2 4.628 4.628 5.151 -0.523 19549 2683 1 11 . 1 1 2 2 LEU CA C 2 54.587 54.587 53.878 0.709 19549 2684 1 11 . 1 1 2 2 LEU CB C 2 42.584 42.584 44.968 -2.384 19549 2685 1 11 . 1 1 2 2 LEU H H 2 8.398 8.398 8.912 -0.514 19549 2686 1 11 . 1 1 3 3 ILE N N 3 130.553 130.553 122.291 8.262 19549 2687 1 11 . 1 1 3 3 ILE HA H 3 5.008 5.008 4.419 0.589 19549 2688 1 11 . 1 1 3 3 ILE CA C 3 60.327 60.327 61.160 -0.833 19549 2689 1 11 . 1 1 3 3 ILE CB C 3 38.133 38.133 39.397 -1.264 19549 2690 1 11 . 1 1 3 3 ILE H H 3 10.460 10.460 8.464 1.996 19549 2691 1 11 . 1 1 4 4 LEU N N 4 125.358 125.358 125.054 0.304 19549 2692 1 11 . 1 1 4 4 LEU HA H 4 4.963 4.963 4.755 0.208 19549 2693 1 11 . 1 1 4 4 LEU CA C 4 52.865 52.865 53.994 -1.129 19549 2694 1 11 . 1 1 4 4 LEU CB C 4 46.677 46.677 44.702 1.975 19549 2695 1 11 . 1 1 4 4 LEU H H 4 8.905 8.905 8.239 0.666 19549 2696 1 11 . 1 1 5 5 THR N N 5 116.751 116.751 117.202 -0.451 19549 2697 1 11 . 1 1 5 5 THR HA H 5 5.488 5.488 4.667 0.821 19549 2698 1 11 . 1 1 5 5 THR CA C 5 60.717 60.717 61.713 -0.996 19549 2699 1 11 . 1 1 5 5 THR CB C 5 69.781 69.781 68.946 0.835 19549 2700 1 11 . 1 1 5 5 THR H H 5 9.479 9.479 8.268 1.211 19549 2701 1 11 . 1 1 6 6 ARG N N 6 124.665 124.665 124.292 0.373 19549 2702 1 11 . 1 1 6 6 ARG HA H 6 4.989 4.989 4.583 0.406 19549 2703 1 11 . 1 1 6 6 ARG CA C 6 55.266 55.266 55.578 -0.312 19549 2704 1 11 . 1 1 6 6 ARG CB C 6 38.593 38.593 32.119 6.474 19549 2705 1 11 . 1 1 6 6 ARG H H 6 9.293 9.293 8.275 1.018 19549 2706 1 11 . 1 1 7 7 LYS N N 7 123.257 123.257 121.725 1.532 19549 2707 1 11 . 1 1 7 7 LYS HA H 7 5.102 5.102 4.685 0.417 19549 2708 1 11 . 1 1 7 7 LYS CA C 7 54.238 54.238 54.877 -0.639 19549 2709 1 11 . 1 1 7 7 LYS CB C 7 34.302 34.302 34.877 -0.575 19549 2710 1 11 . 1 1 7 7 LYS H H 7 9.412 9.412 9.217 0.195 19549 2711 1 11 . 1 1 8 8 VAL N N 8 118.052 118.052 118.271 -0.219 19549 2712 1 11 . 1 1 8 8 VAL HA H 8 3.277 3.277 4.061 -0.784 19549 2713 1 11 . 1 1 8 8 VAL CA C 8 65.940 65.940 63.256 2.684 19549 2714 1 11 . 1 1 8 8 VAL CB C 8 31.648 31.648 31.058 0.590 19549 2715 1 11 . 1 1 8 8 VAL H H 8 7.480 7.480 8.310 -0.830 19549 2716 1 11 . 1 1 9 9 GLY N N 9 115.983 115.983 114.805 1.178 19549 2717 1 11 . 1 1 9 9 GLY CA C 9 44.555 44.555 44.877 -0.321 19549 2718 1 11 . 1 1 9 9 GLY H H 9 9.192 9.192 9.237 -0.045 19549 2719 1 11 . 1 1 10 10 GLU N N 10 119.194 119.194 120.140 -0.946 19549 2720 1 11 . 1 1 10 10 GLU HA H 10 4.886 4.886 4.751 0.135 19549 2721 1 11 . 1 1 10 10 GLU CA C 10 55.870 55.870 54.687 1.183 19549 2722 1 11 . 1 1 10 10 GLU CB C 10 33.038 33.038 32.256 0.782 19549 2723 1 11 . 1 1 10 10 GLU H H 10 8.294 8.294 7.857 0.437 19549 2724 1 11 . 1 1 11 11 SER N N 11 112.576 112.576 113.199 -0.623 19549 2725 1 11 . 1 1 11 11 SER HA H 11 5.875 5.875 5.253 0.622 19549 2726 1 11 . 1 1 11 11 SER CA C 11 58.033 58.033 56.998 1.035 19549 2727 1 11 . 1 1 11 11 SER CB C 11 67.006 67.006 66.118 0.888 19549 2728 1 11 . 1 1 11 11 SER H H 11 8.651 8.651 8.322 0.329 19549 2729 1 11 . 1 1 12 12 ILE N N 12 124.514 124.514 119.573 4.941 19549 2730 1 11 . 1 1 12 12 ILE HA H 12 4.383 4.383 4.522 -0.139 19549 2731 1 11 . 1 1 12 12 ILE CA C 12 60.041 60.041 60.054 -0.013 19549 2732 1 11 . 1 1 12 12 ILE CB C 12 42.818 42.818 42.730 0.088 19549 2733 1 11 . 1 1 12 12 ILE H H 12 9.266 9.266 8.760 0.506 19549 2734 1 11 . 1 1 13 13 ASN N N 13 126.280 126.280 120.116 6.164 19549 2735 1 11 . 1 1 13 13 ASN HA H 13 4.991 4.991 5.042 -0.051 19549 2736 1 11 . 1 1 13 13 ASN CA C 13 53.546 53.546 52.565 0.981 19549 2737 1 11 . 1 1 13 13 ASN CB C 13 41.558 41.558 41.639 -0.081 19549 2738 1 11 . 1 1 13 13 ASN H H 13 9.360 9.360 8.456 0.904 19549 2739 1 11 . 1 1 14 14 ILE N N 14 123.986 123.986 120.627 3.359 19549 2740 1 11 . 1 1 14 14 ILE HA H 14 4.439 4.439 4.487 -0.048 19549 2741 1 11 . 1 1 14 14 ILE CA C 14 60.646 60.646 60.585 0.061 19549 2742 1 11 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.740 -3.231 19549 2743 1 11 . 1 1 14 14 ILE H H 14 8.425 8.425 8.365 0.060 19549 2744 1 11 . 1 1 15 15 GLY N N 15 115.388 115.388 112.503 2.885 19549 2745 1 11 . 1 1 15 15 GLY CA C 15 46.004 46.004 46.107 -0.103 19549 2746 1 11 . 1 1 15 15 GLY H H 15 9.067 9.067 8.625 0.442 19549 2747 1 11 . 1 1 16 16 ASP N N 16 120.794 120.794 122.703 -1.909 19549 2748 1 11 . 1 1 16 16 ASP HA H 16 4.958 4.958 4.739 0.219 19549 2749 1 11 . 1 1 16 16 ASP CA C 16 55.353 55.353 54.301 1.052 19549 2750 1 11 . 1 1 16 16 ASP CB C 16 42.388 42.388 41.469 0.919 19549 2751 1 11 . 1 1 16 16 ASP H H 16 8.760 8.760 8.376 0.384 19549 2752 1 11 . 1 1 17 17 ASP N N 17 115.630 115.630 119.739 -4.109 19549 2753 1 11 . 1 1 17 17 ASP HA H 17 4.748 4.748 4.841 -0.093 19549 2754 1 11 . 1 1 17 17 ASP CA C 17 54.200 54.200 54.052 0.148 19549 2755 1 11 . 1 1 17 17 ASP CB C 17 42.610 42.610 43.771 -1.161 19549 2756 1 11 . 1 1 17 17 ASP H H 17 8.159 8.159 7.949 0.210 19549 2757 1 11 . 1 1 18 18 ILE N N 18 118.662 118.662 120.314 -1.652 19549 2758 1 11 . 1 1 18 18 ILE HA H 18 5.229 5.229 5.248 -0.019 19549 2759 1 11 . 1 1 18 18 ILE CA C 18 60.093 60.093 59.908 0.185 19549 2760 1 11 . 1 1 18 18 ILE CB C 18 39.842 39.842 42.018 -2.176 19549 2761 1 11 . 1 1 18 18 ILE H H 18 7.168 7.168 7.742 -0.574 19549 2762 1 11 . 1 1 19 19 THR N N 19 122.951 122.951 120.639 2.312 19549 2763 1 11 . 1 1 19 19 THR HA H 19 5.125 5.125 4.988 0.137 19549 2764 1 11 . 1 1 19 19 THR CA C 19 60.957 60.957 61.464 -0.507 19549 2765 1 11 . 1 1 19 19 THR CB C 19 71.814 71.814 72.529 -0.715 19549 2766 1 11 . 1 1 19 19 THR H H 19 8.929 8.929 8.730 0.199 19549 2767 1 11 . 1 1 20 20 ILE N N 20 123.522 123.522 121.777 1.745 19549 2768 1 11 . 1 1 20 20 ILE HA H 20 4.929 4.929 4.896 0.033 19549 2769 1 11 . 1 1 20 20 ILE CA C 20 58.829 58.829 59.346 -0.517 19549 2770 1 11 . 1 1 20 20 ILE CB C 20 40.386 40.386 42.024 -1.638 19549 2771 1 11 . 1 1 20 20 ILE H H 20 8.933 8.933 9.158 -0.225 19549 2772 1 11 . 1 1 21 21 THR N N 21 123.651 123.651 119.895 3.756 19549 2773 1 11 . 1 1 21 21 THR HA H 21 4.830 4.830 4.919 -0.089 19549 2774 1 11 . 1 1 21 21 THR CA C 21 61.581 61.581 61.521 0.060 19549 2775 1 11 . 1 1 21 21 THR CB C 21 72.037 72.037 72.254 -0.217 19549 2776 1 11 . 1 1 21 21 THR H H 21 9.395 9.395 8.883 0.512 19549 2777 1 11 . 1 1 22 22 ILE N N 22 125.699 125.699 126.823 -1.124 19549 2778 1 11 . 1 1 22 22 ILE HA H 22 4.061 4.061 4.522 -0.461 19549 2779 1 11 . 1 1 22 22 ILE CA C 22 59.160 59.160 58.258 0.902 19549 2780 1 11 . 1 1 22 22 ILE CB C 22 33.845 33.845 37.997 -4.152 19549 2781 1 11 . 1 1 22 22 ILE H H 22 8.108 8.108 8.442 -0.334 19549 2782 1 11 . 1 1 23 23 LEU N N 23 129.578 129.578 128.689 0.889 19549 2783 1 11 . 1 1 23 23 LEU HA H 23 4.594 4.594 4.284 0.310 19549 2784 1 11 . 1 1 23 23 LEU CA C 23 56.030 56.030 56.240 -0.210 19549 2785 1 11 . 1 1 23 23 LEU CB C 23 42.217 42.217 41.779 0.438 19549 2786 1 11 . 1 1 23 23 LEU H H 23 8.756 8.756 8.347 0.409 19549 2787 1 11 . 1 1 24 24 GLY N N 24 104.272 104.272 104.593 -0.321 19549 2788 1 11 . 1 1 24 24 GLY CA C 24 45.970 45.970 44.750 1.220 19549 2789 1 11 . 1 1 24 24 GLY H H 24 7.514 7.514 7.560 -0.046 19549 2790 1 11 . 1 1 25 25 VAL N N 25 120.134 120.134 115.383 4.751 19549 2791 1 11 . 1 1 25 25 VAL HA H 25 4.647 4.647 4.968 -0.321 19549 2792 1 11 . 1 1 25 25 VAL CA C 25 61.531 61.531 59.042 2.489 19549 2793 1 11 . 1 1 25 25 VAL CB C 25 35.904 35.904 35.645 0.259 19549 2794 1 11 . 1 1 25 25 VAL H H 25 8.395 8.395 8.368 0.027 19549 2795 1 11 . 1 1 26 26 SER N N 26 121.285 121.285 117.847 3.438 19549 2796 1 11 . 1 1 26 26 SER HA H 26 4.603 4.603 4.613 -0.010 19549 2797 1 11 . 1 1 26 26 SER CA C 26 54.493 54.493 57.939 -3.446 19549 2798 1 11 . 1 1 26 26 SER CB C 26 63.660 63.660 64.092 -0.432 19549 2799 1 11 . 1 1 26 26 SER H H 26 8.572 8.572 8.829 -0.257 19549 2800 1 11 . 1 1 27 27 GLY N N 27 118.284 118.284 115.293 2.991 19549 2801 1 11 . 1 1 27 27 GLY CA C 27 47.497 47.497 46.685 0.812 19549 2802 1 11 . 1 1 27 27 GLY H H 27 9.023 9.023 8.524 0.499 19549 2803 1 11 . 1 1 28 28 GLN N N 28 124.451 124.451 123.181 1.270 19549 2804 1 11 . 1 1 28 28 GLN HA H 28 4.279 4.279 4.501 -0.222 19549 2805 1 11 . 1 1 28 28 GLN CA C 28 55.059 55.059 55.447 -0.388 19549 2806 1 11 . 1 1 28 28 GLN CB C 28 29.318 29.318 29.596 -0.278 19549 2807 1 11 . 1 1 28 28 GLN H H 28 8.677 8.677 8.550 0.127 19549 2808 1 11 . 1 1 29 29 GLN N N 29 117.498 117.498 120.410 -2.912 19549 2809 1 11 . 1 1 29 29 GLN HA H 29 4.634 4.634 4.370 0.264 19549 2810 1 11 . 1 1 29 29 GLN CA C 29 55.294 55.294 56.744 -1.450 19549 2811 1 11 . 1 1 29 29 GLN CB C 29 31.664 31.664 29.912 1.752 19549 2812 1 11 . 1 1 29 29 GLN H H 29 8.008 8.008 7.755 0.253 19549 2813 1 11 . 1 1 30 30 VAL N N 30 124.525 124.525 121.805 2.720 19549 2814 1 11 . 1 1 30 30 VAL HA H 30 4.529 4.529 4.461 0.068 19549 2815 1 11 . 1 1 30 30 VAL CA C 30 60.568 60.568 61.466 -0.898 19549 2816 1 11 . 1 1 30 30 VAL CB C 30 34.606 34.606 33.739 0.868 19549 2817 1 11 . 1 1 30 30 VAL H H 30 9.147 9.147 8.319 0.828 19549 2818 1 11 . 1 1 31 31 ARG N N 31 128.593 128.593 128.387 0.206 19549 2819 1 11 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.612 0.025 19549 2820 1 11 . 1 1 31 31 ARG CA C 31 55.501 55.501 55.510 -0.009 19549 2821 1 11 . 1 1 31 31 ARG CB C 31 31.889 31.889 31.239 0.649 19549 2822 1 11 . 1 1 31 31 ARG H H 31 8.690 8.690 8.705 -0.015 19549 2823 1 11 . 1 1 32 32 ILE N N 32 127.666 127.666 123.521 4.145 19549 2824 1 11 . 1 1 32 32 ILE HA H 32 4.613 4.613 4.913 -0.300 19549 2825 1 11 . 1 1 32 32 ILE CA C 32 59.838 59.838 59.405 0.433 19549 2826 1 11 . 1 1 32 32 ILE CB C 32 41.183 41.183 42.083 -0.900 19549 2827 1 11 . 1 1 32 32 ILE H H 32 9.114 9.114 8.405 0.709 19549 2828 1 11 . 1 1 33 33 GLY N N 33 112.830 112.830 111.137 1.693 19549 2829 1 11 . 1 1 33 33 GLY CA C 33 44.730 44.730 43.937 0.793 19549 2830 1 11 . 1 1 33 33 GLY H H 33 9.177 9.177 8.870 0.307 19549 2831 1 11 . 1 1 34 34 ILE N N 34 125.226 125.226 119.768 5.458 19549 2832 1 11 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.826 -0.023 19549 2833 1 11 . 1 1 34 34 ILE CA C 34 61.001 61.001 60.543 0.458 19549 2834 1 11 . 1 1 34 34 ILE CB C 34 41.080 41.080 42.515 -1.435 19549 2835 1 11 . 1 1 34 34 ILE H H 34 9.637 9.637 8.206 1.431 19549 2836 1 11 . 1 1 35 35 ASN N N 35 129.590 129.590 123.937 5.653 19549 2837 1 11 . 1 1 35 35 ASN HA H 35 5.094 5.094 4.963 0.131 19549 2838 1 11 . 1 1 35 35 ASN CA C 35 52.185 52.185 52.675 -0.490 19549 2839 1 11 . 1 1 35 35 ASN CB C 35 40.108 40.108 40.803 -0.695 19549 2840 1 11 . 1 1 35 35 ASN H H 35 9.029 9.029 8.805 0.225 19549 2841 1 11 . 1 1 36 36 ALA N N 36 125.688 125.688 127.974 -2.286 19549 2842 1 11 . 1 1 36 36 ALA HA H 36 5.063 5.063 5.199 -0.136 19549 2843 1 11 . 1 1 36 36 ALA CA C 36 49.365 49.365 49.514 -0.149 19549 2844 1 11 . 1 1 36 36 ALA CB C 36 19.873 19.873 21.021 -1.148 19549 2845 1 11 . 1 1 36 36 ALA H H 36 8.208 8.208 8.157 0.051 19549 2846 1 11 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.557 -0.142 19549 2847 1 11 . 1 1 37 37 PRO CA C 37 62.916 62.916 62.200 0.716 19549 2848 1 11 . 1 1 37 37 PRO CB C 37 32.477 32.477 32.486 -0.009 19549 2849 1 11 . 1 1 38 38 LYS N N 38 121.103 121.103 120.790 0.313 19549 2850 1 11 . 1 1 38 38 LYS HA H 38 3.825 3.825 4.164 -0.339 19549 2851 1 11 . 1 1 38 38 LYS CA C 38 58.927 58.927 57.619 1.308 19549 2852 1 11 . 1 1 38 38 LYS CB C 38 32.014 32.014 31.865 0.149 19549 2853 1 11 . 1 1 38 38 LYS H H 38 8.550 8.550 8.552 -0.002 19549 2854 1 11 . 1 1 39 39 ASP N N 39 113.829 113.829 119.096 -5.267 19549 2855 1 11 . 1 1 39 39 ASP HA H 39 4.374 4.374 4.495 -0.121 19549 2856 1 11 . 1 1 39 39 ASP CA C 39 54.078 54.078 55.150 -1.072 19549 2857 1 11 . 1 1 39 39 ASP CB C 39 39.822 39.822 40.958 -1.136 19549 2858 1 11 . 1 1 39 39 ASP H H 39 8.143 8.143 8.412 -0.269 19549 2859 1 11 . 1 1 40 40 VAL N N 40 122.624 122.624 114.652 7.972 19549 2860 1 11 . 1 1 40 40 VAL HA H 40 3.980 3.980 4.470 -0.490 19549 2861 1 11 . 1 1 40 40 VAL CA C 40 62.040 62.040 59.779 2.261 19549 2862 1 11 . 1 1 40 40 VAL CB C 40 31.928 31.928 35.125 -3.197 19549 2863 1 11 . 1 1 40 40 VAL H H 40 8.020 8.020 7.422 0.598 19549 2864 1 11 . 1 1 41 41 ALA N N 41 133.718 133.718 124.089 9.629 19549 2865 1 11 . 1 1 41 41 ALA HA H 41 4.474 4.474 4.930 -0.456 19549 2866 1 11 . 1 1 41 41 ALA CA C 41 52.263 52.263 50.914 1.349 19549 2867 1 11 . 1 1 41 41 ALA CB C 41 19.155 19.155 20.464 -1.309 19549 2868 1 11 . 1 1 41 41 ALA H H 41 8.897 8.897 8.323 0.574 19549 2869 1 11 . 1 1 42 42 VAL N N 42 125.194 125.194 119.602 5.592 19549 2870 1 11 . 1 1 42 42 VAL HA H 42 4.434 4.434 4.281 0.153 19549 2871 1 11 . 1 1 42 42 VAL CA C 42 60.771 60.771 61.339 -0.568 19549 2872 1 11 . 1 1 42 42 VAL CB C 42 33.599 33.599 32.996 0.603 19549 2873 1 11 . 1 1 42 42 VAL H H 42 7.847 7.847 7.877 -0.030 19549 2874 1 11 . 1 1 43 43 HIS N N 43 118.938 118.938 123.610 -4.672 19549 2875 1 11 . 1 1 43 43 HIS HA H 43 5.566 5.566 4.874 0.692 19549 2876 1 11 . 1 1 43 43 HIS CA C 43 53.931 53.931 55.280 -1.349 19549 2877 1 11 . 1 1 43 43 HIS CB C 43 37.649 37.649 31.572 6.077 19549 2878 1 11 . 1 1 43 43 HIS H H 43 8.644 8.644 8.374 0.270 19549 2879 1 11 . 1 1 44 44 ARG N N 44 122.301 122.301 121.475 0.826 19549 2880 1 11 . 1 1 44 44 ARG HA H 44 3.970 3.970 4.331 -0.361 19549 2881 1 11 . 1 1 44 44 ARG CA C 44 58.580 58.580 56.085 2.495 19549 2882 1 11 . 1 1 44 44 ARG H H 44 8.828 8.828 8.688 0.140 19549 2883 1 11 . 1 1 45 45 GLU N N 45 126.010 126.010 122.698 3.312 19549 2884 1 11 . 1 1 45 45 GLU HA H 45 4.417 4.417 4.029 0.388 19549 2885 1 11 . 1 1 45 45 GLU CA C 45 59.945 59.945 59.013 0.932 19549 2886 1 11 . 1 1 45 45 GLU CB C 45 29.981 29.981 28.943 1.038 19549 2887 1 11 . 1 1 45 45 GLU H H 45 7.895 7.895 8.989 -1.094 19549 2888 1 11 . 1 1 46 46 GLU N N 46 118.177 118.177 119.422 -1.245 19549 2889 1 11 . 1 1 46 46 GLU HA H 46 4.269 4.269 4.160 0.109 19549 2890 1 11 . 1 1 46 46 GLU CA C 46 58.726 58.726 59.191 -0.465 19549 2891 1 11 . 1 1 46 46 GLU CB C 46 27.085 27.085 29.140 -2.054 19549 2892 1 11 . 1 1 46 46 GLU H H 46 10.765 10.765 8.552 2.213 19549 2893 1 11 . 1 1 47 47 ILE N N 47 122.543 122.543 119.035 3.508 19549 2894 1 11 . 1 1 47 47 ILE HA H 47 3.796 3.796 3.896 -0.100 19549 2895 1 11 . 1 1 47 47 ILE CA C 47 61.102 61.102 62.338 -1.236 19549 2896 1 11 . 1 1 47 47 ILE CB C 47 35.713 35.713 36.862 -1.149 19549 2897 1 11 . 1 1 47 47 ILE H H 47 7.197 7.197 7.642 -0.445 19549 2898 1 11 . 1 1 48 48 TYR N N 48 122.234 122.234 122.469 -0.235 19549 2899 1 11 . 1 1 48 48 TYR HA H 48 3.655 3.655 4.074 -0.419 19549 2900 1 11 . 1 1 48 48 TYR CA C 48 62.312 62.312 61.990 0.322 19549 2901 1 11 . 1 1 48 48 TYR CB C 48 39.249 39.249 38.420 0.828 19549 2902 1 11 . 1 1 48 48 TYR H H 48 8.134 8.134 7.765 0.369 19549 2903 1 11 . 1 1 49 49 GLN N N 49 115.293 115.293 117.975 -2.682 19549 2904 1 11 . 1 1 49 49 GLN HA H 49 3.856 3.856 4.079 -0.223 19549 2905 1 11 . 1 1 49 49 GLN CA C 49 58.599 58.599 58.283 0.316 19549 2906 1 11 . 1 1 49 49 GLN CB C 49 28.265 28.265 28.454 -0.189 19549 2907 1 11 . 1 1 49 49 GLN H H 49 8.658 8.658 7.996 0.662 19549 2908 1 11 . 1 1 50 50 ARG N N 50 120.188 120.188 117.077 3.111 19549 2909 1 11 . 1 1 50 50 ARG HA H 50 3.983 3.983 4.196 -0.213 19549 2910 1 11 . 1 1 50 50 ARG CA C 50 59.219 59.219 57.517 1.702 19549 2911 1 11 . 1 1 50 50 ARG CB C 50 30.367 30.367 30.423 -0.056 19549 2912 1 11 . 1 1 50 50 ARG H H 50 7.135 7.135 7.524 -0.389 19549 2913 1 11 . 1 1 51 51 ILE N N 51 120.791 120.791 118.451 2.340 19549 2914 1 11 . 1 1 51 51 ILE HA H 51 3.628 3.628 3.931 -0.303 19549 2915 1 11 . 1 1 51 51 ILE CA C 51 64.528 64.528 63.013 1.515 19549 2916 1 11 . 1 1 51 51 ILE CB C 51 38.019 38.019 38.706 -0.688 19549 2917 1 11 . 1 1 51 51 ILE H H 51 7.897 7.897 7.292 0.605 19549 2918 1 11 . 1 1 52 52 GLN N N 52 118.963 118.963 118.521 0.442 19549 2919 1 11 . 1 1 52 52 GLN HA H 52 3.808 3.808 3.971 -0.163 19549 2920 1 11 . 1 1 52 52 GLN CA C 52 57.546 57.546 56.409 1.137 19549 2921 1 11 . 1 1 52 52 GLN CB C 52 28.215 28.215 27.369 0.846 19549 2922 1 11 . 1 1 52 52 GLN H H 52 7.915 7.915 7.749 0.166 19549 2923 1 11 . 1 1 53 53 ALA N N 53 120.242 120.242 120.305 -0.063 19549 2924 1 11 . 1 1 53 53 ALA HA H 53 4.190 4.190 4.188 0.002 19549 2925 1 11 . 1 1 53 53 ALA CA C 53 53.069 53.069 52.896 0.173 19549 2926 1 11 . 1 1 53 53 ALA CB C 53 18.757 18.757 18.780 -0.023 19549 2927 1 11 . 1 1 53 53 ALA H H 53 7.558 7.558 7.876 -0.318 19549 2928 1 11 . 1 1 54 54 GLY N N 54 105.982 105.982 104.332 1.650 19549 2929 1 11 . 1 1 54 54 GLY CA C 54 45.670 45.670 44.966 0.704 19549 2930 1 11 . 1 1 54 54 GLY H H 54 7.714 7.714 7.745 -0.031 19549 2931 1 11 . 1 1 55 55 LEU N N 55 120.632 120.632 116.831 3.801 19549 2932 1 11 . 1 1 55 55 LEU HA H 55 4.320 4.320 5.025 -0.705 19549 2933 1 11 . 1 1 55 55 LEU CA C 55 55.352 55.352 53.624 1.728 19549 2934 1 11 . 1 1 55 55 LEU CB C 55 42.303 42.303 42.677 -0.374 19549 2935 1 11 . 1 1 55 55 LEU H H 55 7.725 7.725 7.847 -0.122 19549 2936 1 11 . 1 1 56 56 THR N N 56 113.330 113.330 112.671 0.659 19549 2937 1 11 . 1 1 56 56 THR HA H 56 4.258 4.258 4.430 -0.172 19549 2938 1 11 . 1 1 56 56 THR CA C 56 61.410 61.410 62.071 -0.661 19549 2939 1 11 . 1 1 56 56 THR CB C 56 70.101 70.101 69.689 0.412 19549 2940 1 11 . 1 1 56 56 THR H H 56 7.902 7.902 8.318 -0.416 19549 2941 1 11 . 1 1 57 57 ALA N N 57 127.054 127.054 124.142 2.912 19549 2942 1 11 . 1 1 57 57 ALA HA H 57 4.475 4.475 4.720 -0.245 19549 2943 1 11 . 1 1 57 57 ALA CA C 57 50.560 50.560 50.460 0.100 19549 2944 1 11 . 1 1 57 57 ALA CB C 57 18.502 18.502 19.131 -0.629 19549 2945 1 11 . 1 1 57 57 ALA H H 57 8.050 8.050 7.875 0.175 19549 2946 1 11 . 1 1 58 58 PRO HA H 58 4.269 4.269 4.418 -0.149 19549 2947 1 11 . 1 1 58 58 PRO CA C 58 63.723 63.723 62.346 1.377 19549 2948 1 11 . 1 1 58 58 PRO CB C 58 31.907 31.907 32.398 -0.491 19549 2949 1 12 . 1 1 2 2 LEU N N 2 124.131 124.131 125.764 -1.633 19549 2950 1 12 . 1 1 2 2 LEU HA H 2 4.628 4.628 5.145 -0.517 19549 2951 1 12 . 1 1 2 2 LEU CA C 2 54.587 54.587 53.886 0.701 19549 2952 1 12 . 1 1 2 2 LEU CB C 2 42.584 42.584 44.932 -2.348 19549 2953 1 12 . 1 1 2 2 LEU H H 2 8.398 8.398 8.906 -0.508 19549 2954 1 12 . 1 1 3 3 ILE N N 3 130.553 130.553 122.571 7.982 19549 2955 1 12 . 1 1 3 3 ILE HA H 3 5.008 5.008 4.419 0.589 19549 2956 1 12 . 1 1 3 3 ILE CA C 3 60.327 60.327 61.158 -0.832 19549 2957 1 12 . 1 1 3 3 ILE CB C 3 38.133 38.133 39.336 -1.203 19549 2958 1 12 . 1 1 3 3 ILE H H 3 10.460 10.460 8.473 1.987 19549 2959 1 12 . 1 1 4 4 LEU N N 4 125.358 125.358 124.971 0.387 19549 2960 1 12 . 1 1 4 4 LEU HA H 4 4.963 4.963 4.751 0.212 19549 2961 1 12 . 1 1 4 4 LEU CA C 4 52.865 52.865 54.181 -1.316 19549 2962 1 12 . 1 1 4 4 LEU CB C 4 46.677 46.677 44.717 1.960 19549 2963 1 12 . 1 1 4 4 LEU H H 4 8.905 8.905 8.335 0.570 19549 2964 1 12 . 1 1 5 5 THR N N 5 116.751 116.751 117.194 -0.443 19549 2965 1 12 . 1 1 5 5 THR HA H 5 5.488 5.488 4.618 0.870 19549 2966 1 12 . 1 1 5 5 THR CA C 5 60.717 60.717 61.670 -0.953 19549 2967 1 12 . 1 1 5 5 THR CB C 5 69.781 69.781 69.179 0.602 19549 2968 1 12 . 1 1 5 5 THR H H 5 9.479 9.479 8.293 1.186 19549 2969 1 12 . 1 1 6 6 ARG N N 6 124.665 124.665 125.083 -0.418 19549 2970 1 12 . 1 1 6 6 ARG HA H 6 4.989 4.989 4.857 0.132 19549 2971 1 12 . 1 1 6 6 ARG CA C 6 55.266 55.266 55.316 -0.050 19549 2972 1 12 . 1 1 6 6 ARG CB C 6 38.593 38.593 32.151 6.441 19549 2973 1 12 . 1 1 6 6 ARG H H 6 9.293 9.293 8.489 0.804 19549 2974 1 12 . 1 1 7 7 LYS N N 7 123.257 123.257 118.441 4.816 19549 2975 1 12 . 1 1 7 7 LYS HA H 7 5.102 5.102 4.623 0.479 19549 2976 1 12 . 1 1 7 7 LYS CA C 7 54.238 54.238 54.974 -0.736 19549 2977 1 12 . 1 1 7 7 LYS CB C 7 34.302 34.302 34.657 -0.355 19549 2978 1 12 . 1 1 7 7 LYS H H 7 9.412 9.412 9.116 0.296 19549 2979 1 12 . 1 1 8 8 VAL N N 8 118.052 118.052 118.290 -0.238 19549 2980 1 12 . 1 1 8 8 VAL HA H 8 3.277 3.277 3.968 -0.691 19549 2981 1 12 . 1 1 8 8 VAL CA C 8 65.940 65.940 63.336 2.604 19549 2982 1 12 . 1 1 8 8 VAL CB C 8 31.648 31.648 31.119 0.529 19549 2983 1 12 . 1 1 8 8 VAL H H 8 7.480 7.480 8.331 -0.851 19549 2984 1 12 . 1 1 9 9 GLY N N 9 115.983 115.983 114.531 1.452 19549 2985 1 12 . 1 1 9 9 GLY CA C 9 44.555 44.555 44.898 -0.342 19549 2986 1 12 . 1 1 9 9 GLY H H 9 9.192 9.192 9.185 0.007 19549 2987 1 12 . 1 1 10 10 GLU N N 10 119.194 119.194 120.162 -0.968 19549 2988 1 12 . 1 1 10 10 GLU HA H 10 4.886 4.886 4.741 0.145 19549 2989 1 12 . 1 1 10 10 GLU CA C 10 55.870 55.870 54.691 1.179 19549 2990 1 12 . 1 1 10 10 GLU CB C 10 33.038 33.038 32.145 0.893 19549 2991 1 12 . 1 1 10 10 GLU H H 10 8.294 8.294 7.849 0.445 19549 2992 1 12 . 1 1 11 11 SER N N 11 112.576 112.576 112.895 -0.319 19549 2993 1 12 . 1 1 11 11 SER HA H 11 5.875 5.875 5.222 0.653 19549 2994 1 12 . 1 1 11 11 SER CA C 11 58.033 58.033 57.230 0.803 19549 2995 1 12 . 1 1 11 11 SER CB C 11 67.006 67.006 66.087 0.919 19549 2996 1 12 . 1 1 11 11 SER H H 11 8.651 8.651 8.338 0.313 19549 2997 1 12 . 1 1 12 12 ILE N N 12 124.514 124.514 120.194 4.320 19549 2998 1 12 . 1 1 12 12 ILE HA H 12 4.383 4.383 4.527 -0.144 19549 2999 1 12 . 1 1 12 12 ILE CA C 12 60.041 60.041 59.341 0.700 19549 3000 1 12 . 1 1 12 12 ILE CB C 12 42.818 42.818 42.445 0.373 19549 3001 1 12 . 1 1 12 12 ILE H H 12 9.266 9.266 8.871 0.395 19549 3002 1 12 . 1 1 13 13 ASN N N 13 126.280 126.280 120.228 6.052 19549 3003 1 12 . 1 1 13 13 ASN HA H 13 4.991 4.991 5.164 -0.173 19549 3004 1 12 . 1 1 13 13 ASN CA C 13 53.546 53.546 52.540 1.006 19549 3005 1 12 . 1 1 13 13 ASN CB C 13 41.558 41.558 41.940 -0.382 19549 3006 1 12 . 1 1 13 13 ASN H H 13 9.360 9.360 8.474 0.886 19549 3007 1 12 . 1 1 14 14 ILE N N 14 123.986 123.986 120.576 3.410 19549 3008 1 12 . 1 1 14 14 ILE HA H 14 4.439 4.439 4.482 -0.043 19549 3009 1 12 . 1 1 14 14 ILE CA C 14 60.646 60.646 60.573 0.073 19549 3010 1 12 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.680 -3.171 19549 3011 1 12 . 1 1 14 14 ILE H H 14 8.425 8.425 8.494 -0.069 19549 3012 1 12 . 1 1 15 15 GLY N N 15 115.388 115.388 112.789 2.599 19549 3013 1 12 . 1 1 15 15 GLY CA C 15 46.004 46.004 46.169 -0.165 19549 3014 1 12 . 1 1 15 15 GLY H H 15 9.067 9.067 8.638 0.429 19549 3015 1 12 . 1 1 16 16 ASP N N 16 120.794 120.794 122.726 -1.932 19549 3016 1 12 . 1 1 16 16 ASP HA H 16 4.958 4.958 4.736 0.222 19549 3017 1 12 . 1 1 16 16 ASP CA C 16 55.353 55.353 54.286 1.067 19549 3018 1 12 . 1 1 16 16 ASP CB C 16 42.388 42.388 41.481 0.907 19549 3019 1 12 . 1 1 16 16 ASP H H 16 8.760 8.760 8.378 0.382 19549 3020 1 12 . 1 1 17 17 ASP N N 17 115.630 115.630 119.784 -4.154 19549 3021 1 12 . 1 1 17 17 ASP HA H 17 4.748 4.748 4.849 -0.101 19549 3022 1 12 . 1 1 17 17 ASP CA C 17 54.200 54.200 54.038 0.162 19549 3023 1 12 . 1 1 17 17 ASP CB C 17 42.610 42.610 43.732 -1.122 19549 3024 1 12 . 1 1 17 17 ASP H H 17 8.159 8.159 7.996 0.163 19549 3025 1 12 . 1 1 18 18 ILE N N 18 118.662 118.662 120.128 -1.466 19549 3026 1 12 . 1 1 18 18 ILE HA H 18 5.229 5.229 5.248 -0.019 19549 3027 1 12 . 1 1 18 18 ILE CA C 18 60.093 60.093 60.320 -0.227 19549 3028 1 12 . 1 1 18 18 ILE CB C 18 39.842 39.842 42.080 -2.238 19549 3029 1 12 . 1 1 18 18 ILE H H 18 7.168 7.168 7.700 -0.532 19549 3030 1 12 . 1 1 19 19 THR N N 19 122.951 122.951 121.379 1.572 19549 3031 1 12 . 1 1 19 19 THR HA H 19 5.125 5.125 4.987 0.138 19549 3032 1 12 . 1 1 19 19 THR CA C 19 60.957 60.957 61.685 -0.728 19549 3033 1 12 . 1 1 19 19 THR CB C 19 71.814 71.814 72.543 -0.729 19549 3034 1 12 . 1 1 19 19 THR H H 19 8.929 8.929 8.795 0.134 19549 3035 1 12 . 1 1 20 20 ILE N N 20 123.522 123.522 121.962 1.560 19549 3036 1 12 . 1 1 20 20 ILE HA H 20 4.929 4.929 4.960 -0.031 19549 3037 1 12 . 1 1 20 20 ILE CA C 20 58.829 58.829 59.255 -0.427 19549 3038 1 12 . 1 1 20 20 ILE CB C 20 40.386 40.386 41.934 -1.548 19549 3039 1 12 . 1 1 20 20 ILE H H 20 8.933 8.933 9.179 -0.246 19549 3040 1 12 . 1 1 21 21 THR N N 21 123.651 123.651 120.111 3.540 19549 3041 1 12 . 1 1 21 21 THR HA H 21 4.830 4.830 4.914 -0.084 19549 3042 1 12 . 1 1 21 21 THR CA C 21 61.581 61.581 61.906 -0.325 19549 3043 1 12 . 1 1 21 21 THR CB C 21 72.037 72.037 72.322 -0.285 19549 3044 1 12 . 1 1 21 21 THR H H 21 9.395 9.395 8.830 0.565 19549 3045 1 12 . 1 1 22 22 ILE N N 22 125.699 125.699 126.532 -0.833 19549 3046 1 12 . 1 1 22 22 ILE HA H 22 4.061 4.061 4.582 -0.521 19549 3047 1 12 . 1 1 22 22 ILE CA C 22 59.160 59.160 58.230 0.930 19549 3048 1 12 . 1 1 22 22 ILE CB C 22 33.845 33.845 38.258 -4.413 19549 3049 1 12 . 1 1 22 22 ILE H H 22 8.108 8.108 8.497 -0.389 19549 3050 1 12 . 1 1 23 23 LEU N N 23 129.578 129.578 128.815 0.763 19549 3051 1 12 . 1 1 23 23 LEU HA H 23 4.594 4.594 4.240 0.354 19549 3052 1 12 . 1 1 23 23 LEU CA C 23 56.030 56.030 56.430 -0.400 19549 3053 1 12 . 1 1 23 23 LEU CB C 23 42.217 42.217 41.795 0.422 19549 3054 1 12 . 1 1 23 23 LEU H H 23 8.756 8.756 8.348 0.408 19549 3055 1 12 . 1 1 24 24 GLY N N 24 104.272 104.272 104.407 -0.135 19549 3056 1 12 . 1 1 24 24 GLY CA C 24 45.970 45.970 44.847 1.123 19549 3057 1 12 . 1 1 24 24 GLY H H 24 7.514 7.514 7.570 -0.056 19549 3058 1 12 . 1 1 25 25 VAL N N 25 120.134 120.134 115.788 4.346 19549 3059 1 12 . 1 1 25 25 VAL HA H 25 4.647 4.647 4.815 -0.168 19549 3060 1 12 . 1 1 25 25 VAL CA C 25 61.531 61.531 59.777 1.754 19549 3061 1 12 . 1 1 25 25 VAL CB C 25 35.904 35.904 35.776 0.128 19549 3062 1 12 . 1 1 25 25 VAL H H 25 8.395 8.395 8.184 0.211 19549 3063 1 12 . 1 1 26 26 SER N N 26 121.285 121.285 118.066 3.219 19549 3064 1 12 . 1 1 26 26 SER HA H 26 4.603 4.603 4.608 -0.005 19549 3065 1 12 . 1 1 26 26 SER CA C 26 54.493 54.493 58.312 -3.820 19549 3066 1 12 . 1 1 26 26 SER CB C 26 63.660 63.660 63.803 -0.143 19549 3067 1 12 . 1 1 26 26 SER H H 26 8.572 8.572 8.780 -0.208 19549 3068 1 12 . 1 1 27 27 GLY N N 27 118.284 118.284 114.460 3.824 19549 3069 1 12 . 1 1 27 27 GLY CA C 27 47.497 47.497 45.522 1.975 19549 3070 1 12 . 1 1 27 27 GLY H H 27 9.023 9.023 8.341 0.682 19549 3071 1 12 . 1 1 28 28 GLN N N 28 124.451 124.451 122.691 1.760 19549 3072 1 12 . 1 1 28 28 GLN HA H 28 4.279 4.279 4.269 0.010 19549 3073 1 12 . 1 1 28 28 GLN CA C 28 55.059 55.059 56.377 -1.318 19549 3074 1 12 . 1 1 28 28 GLN CB C 28 29.318 29.318 28.801 0.517 19549 3075 1 12 . 1 1 28 28 GLN H H 28 8.677 8.677 8.600 0.077 19549 3076 1 12 . 1 1 29 29 GLN N N 29 117.498 117.498 119.862 -2.364 19549 3077 1 12 . 1 1 29 29 GLN HA H 29 4.634 4.634 4.312 0.322 19549 3078 1 12 . 1 1 29 29 GLN CA C 29 55.294 55.294 56.181 -0.887 19549 3079 1 12 . 1 1 29 29 GLN CB C 29 31.664 31.664 29.974 1.690 19549 3080 1 12 . 1 1 29 29 GLN H H 29 8.008 8.008 7.604 0.404 19549 3081 1 12 . 1 1 30 30 VAL N N 30 124.525 124.525 121.816 2.709 19549 3082 1 12 . 1 1 30 30 VAL HA H 30 4.529 4.529 4.409 0.120 19549 3083 1 12 . 1 1 30 30 VAL CA C 30 60.568 60.568 61.654 -1.086 19549 3084 1 12 . 1 1 30 30 VAL CB C 30 34.606 34.606 34.002 0.604 19549 3085 1 12 . 1 1 30 30 VAL H H 30 9.147 9.147 8.310 0.837 19549 3086 1 12 . 1 1 31 31 ARG N N 31 128.593 128.593 128.394 0.199 19549 3087 1 12 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.702 -0.065 19549 3088 1 12 . 1 1 31 31 ARG CA C 31 55.501 55.501 55.310 0.191 19549 3089 1 12 . 1 1 31 31 ARG CB C 31 31.889 31.889 31.636 0.254 19549 3090 1 12 . 1 1 31 31 ARG H H 31 8.690 8.690 8.839 -0.149 19549 3091 1 12 . 1 1 32 32 ILE N N 32 127.666 127.666 123.347 4.319 19549 3092 1 12 . 1 1 32 32 ILE HA H 32 4.613 4.613 4.951 -0.338 19549 3093 1 12 . 1 1 32 32 ILE CA C 32 59.838 59.838 59.389 0.450 19549 3094 1 12 . 1 1 32 32 ILE CB C 32 41.183 41.183 42.212 -1.029 19549 3095 1 12 . 1 1 32 32 ILE H H 32 9.114 9.114 8.424 0.690 19549 3096 1 12 . 1 1 33 33 GLY N N 33 112.830 112.830 111.108 1.722 19549 3097 1 12 . 1 1 33 33 GLY CA C 33 44.730 44.730 43.832 0.898 19549 3098 1 12 . 1 1 33 33 GLY H H 33 9.177 9.177 8.980 0.197 19549 3099 1 12 . 1 1 34 34 ILE N N 34 125.226 125.226 120.042 5.184 19549 3100 1 12 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.749 0.054 19549 3101 1 12 . 1 1 34 34 ILE CA C 34 61.001 61.001 60.422 0.578 19549 3102 1 12 . 1 1 34 34 ILE CB C 34 41.080 41.080 42.475 -1.395 19549 3103 1 12 . 1 1 34 34 ILE H H 34 9.637 9.637 8.193 1.444 19549 3104 1 12 . 1 1 35 35 ASN N N 35 129.590 129.590 124.263 5.327 19549 3105 1 12 . 1 1 35 35 ASN HA H 35 5.094 5.094 4.983 0.111 19549 3106 1 12 . 1 1 35 35 ASN CA C 35 52.185 52.185 52.696 -0.511 19549 3107 1 12 . 1 1 35 35 ASN CB C 35 40.108 40.108 40.849 -0.740 19549 3108 1 12 . 1 1 35 35 ASN H H 35 9.029 9.029 8.818 0.211 19549 3109 1 12 . 1 1 36 36 ALA N N 36 125.688 125.688 128.108 -2.420 19549 3110 1 12 . 1 1 36 36 ALA HA H 36 5.063 5.063 5.234 -0.171 19549 3111 1 12 . 1 1 36 36 ALA CA C 36 49.365 49.365 49.532 -0.168 19549 3112 1 12 . 1 1 36 36 ALA CB C 36 19.873 19.873 21.016 -1.143 19549 3113 1 12 . 1 1 36 36 ALA H H 36 8.208 8.208 8.166 0.042 19549 3114 1 12 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.558 -0.143 19549 3115 1 12 . 1 1 37 37 PRO CA C 37 62.916 62.916 62.181 0.735 19549 3116 1 12 . 1 1 37 37 PRO CB C 37 32.477 32.477 32.494 -0.017 19549 3117 1 12 . 1 1 38 38 LYS N N 38 121.103 121.103 120.530 0.573 19549 3118 1 12 . 1 1 38 38 LYS HA H 38 3.825 3.825 4.155 -0.330 19549 3119 1 12 . 1 1 38 38 LYS CA C 38 58.927 58.927 57.646 1.281 19549 3120 1 12 . 1 1 38 38 LYS CB C 38 32.014 32.014 31.869 0.145 19549 3121 1 12 . 1 1 38 38 LYS H H 38 8.550 8.550 8.540 0.010 19549 3122 1 12 . 1 1 39 39 ASP N N 39 113.829 113.829 119.145 -5.316 19549 3123 1 12 . 1 1 39 39 ASP HA H 39 4.374 4.374 4.511 -0.137 19549 3124 1 12 . 1 1 39 39 ASP CA C 39 54.078 54.078 55.030 -0.952 19549 3125 1 12 . 1 1 39 39 ASP CB C 39 39.822 39.822 40.928 -1.106 19549 3126 1 12 . 1 1 39 39 ASP H H 39 8.143 8.143 8.401 -0.258 19549 3127 1 12 . 1 1 40 40 VAL N N 40 122.624 122.624 115.073 7.551 19549 3128 1 12 . 1 1 40 40 VAL HA H 40 3.980 3.980 4.452 -0.472 19549 3129 1 12 . 1 1 40 40 VAL CA C 40 62.040 62.040 59.709 2.331 19549 3130 1 12 . 1 1 40 40 VAL CB C 40 31.928 31.928 34.990 -3.062 19549 3131 1 12 . 1 1 40 40 VAL H H 40 8.020 8.020 7.478 0.542 19549 3132 1 12 . 1 1 41 41 ALA N N 41 133.718 133.718 124.430 9.288 19549 3133 1 12 . 1 1 41 41 ALA HA H 41 4.474 4.474 4.891 -0.417 19549 3134 1 12 . 1 1 41 41 ALA CA C 41 52.263 52.263 51.166 1.097 19549 3135 1 12 . 1 1 41 41 ALA CB C 41 19.155 19.155 20.097 -0.942 19549 3136 1 12 . 1 1 41 41 ALA H H 41 8.897 8.897 8.291 0.606 19549 3137 1 12 . 1 1 42 42 VAL N N 42 125.194 125.194 120.291 4.903 19549 3138 1 12 . 1 1 42 42 VAL HA H 42 4.434 4.434 4.257 0.177 19549 3139 1 12 . 1 1 42 42 VAL CA C 42 60.771 60.771 61.695 -0.924 19549 3140 1 12 . 1 1 42 42 VAL CB C 42 33.599 33.599 33.186 0.413 19549 3141 1 12 . 1 1 42 42 VAL H H 42 7.847 7.847 7.843 0.004 19549 3142 1 12 . 1 1 43 43 HIS N N 43 118.938 118.938 123.983 -5.045 19549 3143 1 12 . 1 1 43 43 HIS HA H 43 5.566 5.566 4.919 0.647 19549 3144 1 12 . 1 1 43 43 HIS CA C 43 53.931 53.931 55.216 -1.285 19549 3145 1 12 . 1 1 43 43 HIS CB C 43 37.649 37.649 31.736 5.913 19549 3146 1 12 . 1 1 43 43 HIS H H 43 8.644 8.644 8.315 0.329 19549 3147 1 12 . 1 1 44 44 ARG N N 44 122.301 122.301 122.047 0.254 19549 3148 1 12 . 1 1 44 44 ARG HA H 44 3.970 3.970 4.321 -0.351 19549 3149 1 12 . 1 1 44 44 ARG CA C 44 58.580 58.580 56.180 2.400 19549 3150 1 12 . 1 1 44 44 ARG H H 44 8.828 8.828 8.636 0.192 19549 3151 1 12 . 1 1 45 45 GLU N N 45 126.010 126.010 123.282 2.728 19549 3152 1 12 . 1 1 45 45 GLU HA H 45 4.417 4.417 4.033 0.384 19549 3153 1 12 . 1 1 45 45 GLU CA C 45 59.945 59.945 59.391 0.554 19549 3154 1 12 . 1 1 45 45 GLU CB C 45 29.981 29.981 29.618 0.363 19549 3155 1 12 . 1 1 45 45 GLU H H 45 7.895 7.895 8.988 -1.093 19549 3156 1 12 . 1 1 46 46 GLU N N 46 118.177 118.177 119.023 -0.846 19549 3157 1 12 . 1 1 46 46 GLU HA H 46 4.269 4.269 4.168 0.101 19549 3158 1 12 . 1 1 46 46 GLU CA C 46 58.726 58.726 59.034 -0.308 19549 3159 1 12 . 1 1 46 46 GLU CB C 46 27.085 27.085 29.106 -2.021 19549 3160 1 12 . 1 1 46 46 GLU H H 46 10.765 10.765 8.670 2.095 19549 3161 1 12 . 1 1 47 47 ILE N N 47 122.543 122.543 119.483 3.060 19549 3162 1 12 . 1 1 47 47 ILE HA H 47 3.796 3.796 3.912 -0.116 19549 3163 1 12 . 1 1 47 47 ILE CA C 47 61.102 61.102 62.147 -1.045 19549 3164 1 12 . 1 1 47 47 ILE CB C 47 35.713 35.713 36.924 -1.211 19549 3165 1 12 . 1 1 47 47 ILE H H 47 7.197 7.197 7.565 -0.368 19549 3166 1 12 . 1 1 48 48 TYR N N 48 122.234 122.234 121.543 0.691 19549 3167 1 12 . 1 1 48 48 TYR HA H 48 3.655 3.655 4.027 -0.372 19549 3168 1 12 . 1 1 48 48 TYR CA C 48 62.312 62.312 61.970 0.342 19549 3169 1 12 . 1 1 48 48 TYR CB C 48 39.249 39.249 38.159 1.090 19549 3170 1 12 . 1 1 48 48 TYR H H 48 8.134 8.134 8.287 -0.153 19549 3171 1 12 . 1 1 49 49 GLN N N 49 115.293 115.293 116.074 -0.781 19549 3172 1 12 . 1 1 49 49 GLN HA H 49 3.856 3.856 4.011 -0.155 19549 3173 1 12 . 1 1 49 49 GLN CA C 49 58.599 58.599 58.147 0.452 19549 3174 1 12 . 1 1 49 49 GLN CB C 49 28.265 28.265 28.617 -0.352 19549 3175 1 12 . 1 1 49 49 GLN H H 49 8.658 8.658 7.762 0.896 19549 3176 1 12 . 1 1 50 50 ARG N N 50 120.188 120.188 116.195 3.993 19549 3177 1 12 . 1 1 50 50 ARG HA H 50 3.983 3.983 4.188 -0.205 19549 3178 1 12 . 1 1 50 50 ARG CA C 50 59.219 59.219 57.027 2.192 19549 3179 1 12 . 1 1 50 50 ARG CB C 50 30.367 30.367 30.266 0.101 19549 3180 1 12 . 1 1 50 50 ARG H H 50 7.135 7.135 7.631 -0.496 19549 3181 1 12 . 1 1 51 51 ILE N N 51 120.791 120.791 118.152 2.639 19549 3182 1 12 . 1 1 51 51 ILE HA H 51 3.628 3.628 3.956 -0.328 19549 3183 1 12 . 1 1 51 51 ILE CA C 51 64.528 64.528 62.640 1.888 19549 3184 1 12 . 1 1 51 51 ILE CB C 51 38.019 38.019 38.670 -0.652 19549 3185 1 12 . 1 1 51 51 ILE H H 51 7.897 7.897 7.228 0.669 19549 3186 1 12 . 1 1 52 52 GLN N N 52 118.963 118.963 118.579 0.384 19549 3187 1 12 . 1 1 52 52 GLN HA H 52 3.808 3.808 4.107 -0.299 19549 3188 1 12 . 1 1 52 52 GLN CA C 52 57.546 57.546 55.734 1.812 19549 3189 1 12 . 1 1 52 52 GLN CB C 52 28.215 28.215 27.491 0.724 19549 3190 1 12 . 1 1 52 52 GLN H H 52 7.915 7.915 7.683 0.232 19549 3191 1 12 . 1 1 53 53 ALA N N 53 120.242 120.242 121.232 -0.990 19549 3192 1 12 . 1 1 53 53 ALA HA H 53 4.190 4.190 4.134 0.056 19549 3193 1 12 . 1 1 53 53 ALA CA C 53 53.069 53.069 53.222 -0.153 19549 3194 1 12 . 1 1 53 53 ALA CB C 53 18.757 18.757 18.953 -0.196 19549 3195 1 12 . 1 1 53 53 ALA H H 53 7.558 7.558 8.008 -0.450 19549 3196 1 12 . 1 1 54 54 GLY N N 54 105.982 105.982 104.044 1.938 19549 3197 1 12 . 1 1 54 54 GLY CA C 54 45.670 45.670 44.980 0.690 19549 3198 1 12 . 1 1 54 54 GLY H H 54 7.714 7.714 7.854 -0.140 19549 3199 1 12 . 1 1 55 55 LEU N N 55 120.632 120.632 115.797 4.835 19549 3200 1 12 . 1 1 55 55 LEU HA H 55 4.320 4.320 4.836 -0.516 19549 3201 1 12 . 1 1 55 55 LEU CA C 55 55.352 55.352 55.419 -0.067 19549 3202 1 12 . 1 1 55 55 LEU CB C 55 42.303 42.303 42.823 -0.520 19549 3203 1 12 . 1 1 55 55 LEU H H 55 7.725 7.725 7.525 0.200 19549 3204 1 12 . 1 1 56 56 THR N N 56 113.330 113.330 115.435 -2.105 19549 3205 1 12 . 1 1 56 56 THR HA H 56 4.258 4.258 3.830 0.428 19549 3206 1 12 . 1 1 56 56 THR CA C 56 61.410 61.410 63.863 -2.453 19549 3207 1 12 . 1 1 56 56 THR CB C 56 70.101 70.101 67.441 2.660 19549 3208 1 12 . 1 1 56 56 THR H H 56 7.902 7.902 8.234 -0.332 19549 3209 1 12 . 1 1 57 57 ALA N N 57 127.054 127.054 121.746 5.308 19549 3210 1 12 . 1 1 57 57 ALA HA H 57 4.475 4.475 4.526 -0.051 19549 3211 1 12 . 1 1 57 57 ALA CA C 57 50.560 50.560 50.340 0.220 19549 3212 1 12 . 1 1 57 57 ALA CB C 57 18.502 18.502 19.734 -1.232 19549 3213 1 12 . 1 1 57 57 ALA H H 57 8.050 8.050 7.820 0.230 19549 3214 1 12 . 1 1 58 58 PRO HA H 58 4.269 4.269 4.444 -0.175 19549 3215 1 12 . 1 1 58 58 PRO CA C 58 63.723 63.723 62.408 1.315 19549 3216 1 12 . 1 1 58 58 PRO CB C 58 31.907 31.907 32.356 -0.449 19549 3217 1 13 . 1 1 2 2 LEU N N 2 124.131 124.131 125.463 -1.332 19549 3218 1 13 . 1 1 2 2 LEU HA H 2 4.628 4.628 5.150 -0.522 19549 3219 1 13 . 1 1 2 2 LEU CA C 2 54.587 54.587 53.898 0.689 19549 3220 1 13 . 1 1 2 2 LEU CB C 2 42.584 42.584 44.998 -2.414 19549 3221 1 13 . 1 1 2 2 LEU H H 2 8.398 8.398 8.911 -0.513 19549 3222 1 13 . 1 1 3 3 ILE N N 3 130.553 130.553 120.806 9.747 19549 3223 1 13 . 1 1 3 3 ILE HA H 3 5.008 5.008 4.427 0.581 19549 3224 1 13 . 1 1 3 3 ILE CA C 3 60.327 60.327 60.777 -0.450 19549 3225 1 13 . 1 1 3 3 ILE CB C 3 38.133 38.133 39.071 -0.938 19549 3226 1 13 . 1 1 3 3 ILE H H 3 10.460 10.460 8.054 2.406 19549 3227 1 13 . 1 1 4 4 LEU N N 4 125.358 125.358 124.901 0.457 19549 3228 1 13 . 1 1 4 4 LEU HA H 4 4.963 4.963 4.755 0.208 19549 3229 1 13 . 1 1 4 4 LEU CA C 4 52.865 52.865 54.046 -1.181 19549 3230 1 13 . 1 1 4 4 LEU CB C 4 46.677 46.677 44.451 2.226 19549 3231 1 13 . 1 1 4 4 LEU H H 4 8.905 8.905 8.192 0.713 19549 3232 1 13 . 1 1 5 5 THR N N 5 116.751 116.751 117.404 -0.653 19549 3233 1 13 . 1 1 5 5 THR HA H 5 5.488 5.488 4.638 0.850 19549 3234 1 13 . 1 1 5 5 THR CA C 5 60.717 60.717 61.883 -1.166 19549 3235 1 13 . 1 1 5 5 THR CB C 5 69.781 69.781 69.044 0.737 19549 3236 1 13 . 1 1 5 5 THR H H 5 9.479 9.479 8.229 1.250 19549 3237 1 13 . 1 1 6 6 ARG N N 6 124.665 124.665 124.212 0.453 19549 3238 1 13 . 1 1 6 6 ARG HA H 6 4.989 4.989 4.824 0.165 19549 3239 1 13 . 1 1 6 6 ARG CA C 6 55.266 55.266 55.390 -0.124 19549 3240 1 13 . 1 1 6 6 ARG CB C 6 38.593 38.593 32.200 6.393 19549 3241 1 13 . 1 1 6 6 ARG H H 6 9.293 9.293 8.586 0.707 19549 3242 1 13 . 1 1 7 7 LYS N N 7 123.257 123.257 119.352 3.905 19549 3243 1 13 . 1 1 7 7 LYS HA H 7 5.102 5.102 4.535 0.567 19549 3244 1 13 . 1 1 7 7 LYS CA C 7 54.238 54.238 54.898 -0.660 19549 3245 1 13 . 1 1 7 7 LYS CB C 7 34.302 34.302 34.363 -0.061 19549 3246 1 13 . 1 1 7 7 LYS H H 7 9.412 9.412 8.164 1.248 19549 3247 1 13 . 1 1 8 8 VAL N N 8 118.052 118.052 118.750 -0.698 19549 3248 1 13 . 1 1 8 8 VAL HA H 8 3.277 3.277 3.882 -0.605 19549 3249 1 13 . 1 1 8 8 VAL CA C 8 65.940 65.940 63.449 2.491 19549 3250 1 13 . 1 1 8 8 VAL CB C 8 31.648 31.648 31.088 0.560 19549 3251 1 13 . 1 1 8 8 VAL H H 8 7.480 7.480 8.373 -0.893 19549 3252 1 13 . 1 1 9 9 GLY N N 9 115.983 115.983 114.932 1.051 19549 3253 1 13 . 1 1 9 9 GLY CA C 9 44.555 44.555 44.924 -0.369 19549 3254 1 13 . 1 1 9 9 GLY H H 9 9.192 9.192 9.195 -0.003 19549 3255 1 13 . 1 1 10 10 GLU N N 10 119.194 119.194 121.294 -2.100 19549 3256 1 13 . 1 1 10 10 GLU HA H 10 4.886 4.886 4.731 0.155 19549 3257 1 13 . 1 1 10 10 GLU CA C 10 55.870 55.870 54.899 0.971 19549 3258 1 13 . 1 1 10 10 GLU CB C 10 33.038 33.038 31.390 1.648 19549 3259 1 13 . 1 1 10 10 GLU H H 10 8.294 8.294 7.947 0.347 19549 3260 1 13 . 1 1 11 11 SER N N 11 112.576 112.576 112.450 0.126 19549 3261 1 13 . 1 1 11 11 SER HA H 11 5.875 5.875 5.187 0.688 19549 3262 1 13 . 1 1 11 11 SER CA C 11 58.033 58.033 57.262 0.771 19549 3263 1 13 . 1 1 11 11 SER CB C 11 67.006 67.006 66.266 0.740 19549 3264 1 13 . 1 1 11 11 SER H H 11 8.651 8.651 8.292 0.359 19549 3265 1 13 . 1 1 12 12 ILE N N 12 124.514 124.514 119.826 4.688 19549 3266 1 13 . 1 1 12 12 ILE HA H 12 4.383 4.383 4.479 -0.096 19549 3267 1 13 . 1 1 12 12 ILE CA C 12 60.041 60.041 60.005 0.036 19549 3268 1 13 . 1 1 12 12 ILE CB C 12 42.818 42.818 42.749 0.069 19549 3269 1 13 . 1 1 12 12 ILE H H 12 9.266 9.266 8.761 0.505 19549 3270 1 13 . 1 1 13 13 ASN N N 13 126.280 126.280 120.292 5.988 19549 3271 1 13 . 1 1 13 13 ASN HA H 13 4.991 4.991 5.160 -0.169 19549 3272 1 13 . 1 1 13 13 ASN CA C 13 53.546 53.546 52.557 0.989 19549 3273 1 13 . 1 1 13 13 ASN CB C 13 41.558 41.558 41.667 -0.109 19549 3274 1 13 . 1 1 13 13 ASN H H 13 9.360 9.360 8.467 0.893 19549 3275 1 13 . 1 1 14 14 ILE N N 14 123.986 123.986 120.815 3.171 19549 3276 1 13 . 1 1 14 14 ILE HA H 14 4.439 4.439 4.486 -0.047 19549 3277 1 13 . 1 1 14 14 ILE CA C 14 60.646 60.646 60.576 0.070 19549 3278 1 13 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.730 -3.221 19549 3279 1 13 . 1 1 14 14 ILE H H 14 8.425 8.425 8.338 0.087 19549 3280 1 13 . 1 1 15 15 GLY N N 15 115.388 115.388 112.605 2.783 19549 3281 1 13 . 1 1 15 15 GLY CA C 15 46.004 46.004 46.182 -0.178 19549 3282 1 13 . 1 1 15 15 GLY H H 15 9.067 9.067 8.587 0.480 19549 3283 1 13 . 1 1 16 16 ASP N N 16 120.794 120.794 120.874 -0.080 19549 3284 1 13 . 1 1 16 16 ASP HA H 16 4.958 4.958 4.689 0.269 19549 3285 1 13 . 1 1 16 16 ASP CA C 16 55.353 55.353 54.142 1.211 19549 3286 1 13 . 1 1 16 16 ASP CB C 16 42.388 42.388 41.436 0.952 19549 3287 1 13 . 1 1 16 16 ASP H H 16 8.760 8.760 8.355 0.405 19549 3288 1 13 . 1 1 17 17 ASP N N 17 115.630 115.630 119.931 -4.301 19549 3289 1 13 . 1 1 17 17 ASP HA H 17 4.748 4.748 4.863 -0.115 19549 3290 1 13 . 1 1 17 17 ASP CA C 17 54.200 54.200 53.920 0.280 19549 3291 1 13 . 1 1 17 17 ASP CB C 17 42.610 42.610 43.778 -1.168 19549 3292 1 13 . 1 1 17 17 ASP H H 17 8.159 8.159 7.991 0.168 19549 3293 1 13 . 1 1 18 18 ILE N N 18 118.662 118.662 120.183 -1.521 19549 3294 1 13 . 1 1 18 18 ILE HA H 18 5.229 5.229 5.239 -0.010 19549 3295 1 13 . 1 1 18 18 ILE CA C 18 60.093 60.093 60.251 -0.158 19549 3296 1 13 . 1 1 18 18 ILE CB C 18 39.842 39.842 41.994 -2.152 19549 3297 1 13 . 1 1 18 18 ILE H H 18 7.168 7.168 7.655 -0.487 19549 3298 1 13 . 1 1 19 19 THR N N 19 122.951 122.951 121.237 1.714 19549 3299 1 13 . 1 1 19 19 THR HA H 19 5.125 5.125 5.009 0.116 19549 3300 1 13 . 1 1 19 19 THR CA C 19 60.957 60.957 61.626 -0.669 19549 3301 1 13 . 1 1 19 19 THR CB C 19 71.814 71.814 72.497 -0.683 19549 3302 1 13 . 1 1 19 19 THR H H 19 8.929 8.929 8.914 0.016 19549 3303 1 13 . 1 1 20 20 ILE N N 20 123.522 123.522 121.940 1.582 19549 3304 1 13 . 1 1 20 20 ILE HA H 20 4.929 4.929 4.987 -0.058 19549 3305 1 13 . 1 1 20 20 ILE CA C 20 58.829 58.829 59.221 -0.392 19549 3306 1 13 . 1 1 20 20 ILE CB C 20 40.386 40.386 41.885 -1.499 19549 3307 1 13 . 1 1 20 20 ILE H H 20 8.933 8.933 9.148 -0.215 19549 3308 1 13 . 1 1 21 21 THR N N 21 123.651 123.651 120.018 3.633 19549 3309 1 13 . 1 1 21 21 THR HA H 21 4.830 4.830 4.902 -0.072 19549 3310 1 13 . 1 1 21 21 THR CA C 21 61.581 61.581 61.818 -0.236 19549 3311 1 13 . 1 1 21 21 THR CB C 21 72.037 72.037 72.250 -0.213 19549 3312 1 13 . 1 1 21 21 THR H H 21 9.395 9.395 8.939 0.456 19549 3313 1 13 . 1 1 22 22 ILE N N 22 125.699 125.699 126.562 -0.863 19549 3314 1 13 . 1 1 22 22 ILE HA H 22 4.061 4.061 4.565 -0.504 19549 3315 1 13 . 1 1 22 22 ILE CA C 22 59.160 59.160 58.395 0.765 19549 3316 1 13 . 1 1 22 22 ILE CB C 22 33.845 33.845 38.377 -4.532 19549 3317 1 13 . 1 1 22 22 ILE H H 22 8.108 8.108 8.387 -0.279 19549 3318 1 13 . 1 1 23 23 LEU N N 23 129.578 129.578 128.987 0.591 19549 3319 1 13 . 1 1 23 23 LEU HA H 23 4.594 4.594 4.288 0.306 19549 3320 1 13 . 1 1 23 23 LEU CA C 23 56.030 56.030 56.260 -0.230 19549 3321 1 13 . 1 1 23 23 LEU CB C 23 42.217 42.217 41.814 0.403 19549 3322 1 13 . 1 1 23 23 LEU H H 23 8.756 8.756 8.476 0.280 19549 3323 1 13 . 1 1 24 24 GLY N N 24 104.272 104.272 104.526 -0.254 19549 3324 1 13 . 1 1 24 24 GLY CA C 24 45.970 45.970 44.839 1.131 19549 3325 1 13 . 1 1 24 24 GLY H H 24 7.514 7.514 7.616 -0.102 19549 3326 1 13 . 1 1 25 25 VAL N N 25 120.134 120.134 116.303 3.831 19549 3327 1 13 . 1 1 25 25 VAL HA H 25 4.647 4.647 5.084 -0.437 19549 3328 1 13 . 1 1 25 25 VAL CA C 25 61.531 61.531 58.383 3.148 19549 3329 1 13 . 1 1 25 25 VAL CB C 25 35.904 35.904 35.914 -0.010 19549 3330 1 13 . 1 1 25 25 VAL H H 25 8.395 8.395 8.234 0.161 19549 3331 1 13 . 1 1 26 26 SER N N 26 121.285 121.285 117.667 3.618 19549 3332 1 13 . 1 1 26 26 SER HA H 26 4.603 4.603 4.748 -0.145 19549 3333 1 13 . 1 1 26 26 SER CA C 26 54.493 54.493 58.025 -3.532 19549 3334 1 13 . 1 1 26 26 SER CB C 26 63.660 63.660 63.592 0.068 19549 3335 1 13 . 1 1 26 26 SER H H 26 8.572 8.572 8.647 -0.075 19549 3336 1 13 . 1 1 27 27 GLY N N 27 118.284 118.284 117.137 1.147 19549 3337 1 13 . 1 1 27 27 GLY CA C 27 47.497 47.497 46.564 0.933 19549 3338 1 13 . 1 1 27 27 GLY H H 27 9.023 9.023 8.602 0.421 19549 3339 1 13 . 1 1 28 28 GLN N N 28 124.451 124.451 122.503 1.948 19549 3340 1 13 . 1 1 28 28 GLN HA H 28 4.279 4.279 4.516 -0.237 19549 3341 1 13 . 1 1 28 28 GLN CA C 28 55.059 55.059 55.466 -0.407 19549 3342 1 13 . 1 1 28 28 GLN CB C 28 29.318 29.318 30.192 -0.873 19549 3343 1 13 . 1 1 28 28 GLN H H 28 8.677 8.677 8.436 0.241 19549 3344 1 13 . 1 1 29 29 GLN N N 29 117.498 117.498 120.697 -3.199 19549 3345 1 13 . 1 1 29 29 GLN HA H 29 4.634 4.634 4.391 0.243 19549 3346 1 13 . 1 1 29 29 GLN CA C 29 55.294 55.294 56.570 -1.276 19549 3347 1 13 . 1 1 29 29 GLN CB C 29 31.664 31.664 29.867 1.797 19549 3348 1 13 . 1 1 29 29 GLN H H 29 8.008 8.008 7.768 0.240 19549 3349 1 13 . 1 1 30 30 VAL N N 30 124.525 124.525 122.142 2.383 19549 3350 1 13 . 1 1 30 30 VAL HA H 30 4.529 4.529 4.486 0.043 19549 3351 1 13 . 1 1 30 30 VAL CA C 30 60.568 60.568 61.388 -0.820 19549 3352 1 13 . 1 1 30 30 VAL CB C 30 34.606 34.606 33.307 1.299 19549 3353 1 13 . 1 1 30 30 VAL H H 30 9.147 9.147 8.340 0.807 19549 3354 1 13 . 1 1 31 31 ARG N N 31 128.593 128.593 128.559 0.034 19549 3355 1 13 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.518 0.119 19549 3356 1 13 . 1 1 31 31 ARG CA C 31 55.501 55.501 55.843 -0.342 19549 3357 1 13 . 1 1 31 31 ARG CB C 31 31.889 31.889 31.168 0.721 19549 3358 1 13 . 1 1 31 31 ARG H H 31 8.690 8.690 8.572 0.118 19549 3359 1 13 . 1 1 32 32 ILE N N 32 127.666 127.666 123.707 3.959 19549 3360 1 13 . 1 1 32 32 ILE HA H 32 4.613 4.613 4.937 -0.324 19549 3361 1 13 . 1 1 32 32 ILE CA C 32 59.838 59.838 59.347 0.491 19549 3362 1 13 . 1 1 32 32 ILE CB C 32 41.183 41.183 42.004 -0.821 19549 3363 1 13 . 1 1 32 32 ILE H H 32 9.114 9.114 8.352 0.762 19549 3364 1 13 . 1 1 33 33 GLY N N 33 112.830 112.830 111.324 1.506 19549 3365 1 13 . 1 1 33 33 GLY CA C 33 44.730 44.730 43.780 0.950 19549 3366 1 13 . 1 1 33 33 GLY H H 33 9.177 9.177 8.958 0.219 19549 3367 1 13 . 1 1 34 34 ILE N N 34 125.226 125.226 120.250 4.976 19549 3368 1 13 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.714 0.089 19549 3369 1 13 . 1 1 34 34 ILE CA C 34 61.001 61.001 60.453 0.548 19549 3370 1 13 . 1 1 34 34 ILE CB C 34 41.080 41.080 42.407 -1.327 19549 3371 1 13 . 1 1 34 34 ILE H H 34 9.637 9.637 8.196 1.441 19549 3372 1 13 . 1 1 35 35 ASN N N 35 129.590 129.590 124.554 5.036 19549 3373 1 13 . 1 1 35 35 ASN HA H 35 5.094 5.094 4.985 0.109 19549 3374 1 13 . 1 1 35 35 ASN CA C 35 52.185 52.185 52.627 -0.442 19549 3375 1 13 . 1 1 35 35 ASN CB C 35 40.108 40.108 40.772 -0.664 19549 3376 1 13 . 1 1 35 35 ASN H H 35 9.029 9.029 8.883 0.146 19549 3377 1 13 . 1 1 36 36 ALA N N 36 125.688 125.688 128.054 -2.366 19549 3378 1 13 . 1 1 36 36 ALA HA H 36 5.063 5.063 5.255 -0.192 19549 3379 1 13 . 1 1 36 36 ALA CA C 36 49.365 49.365 49.338 0.027 19549 3380 1 13 . 1 1 36 36 ALA CB C 36 19.873 19.873 21.101 -1.228 19549 3381 1 13 . 1 1 36 36 ALA H H 36 8.208 8.208 8.150 0.058 19549 3382 1 13 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.531 -0.116 19549 3383 1 13 . 1 1 37 37 PRO CA C 37 62.916 62.916 62.266 0.650 19549 3384 1 13 . 1 1 37 37 PRO CB C 37 32.477 32.477 32.459 0.018 19549 3385 1 13 . 1 1 38 38 LYS N N 38 121.103 121.103 119.672 1.431 19549 3386 1 13 . 1 1 38 38 LYS HA H 38 3.825 3.825 4.085 -0.260 19549 3387 1 13 . 1 1 38 38 LYS CA C 38 58.927 58.927 57.874 1.053 19549 3388 1 13 . 1 1 38 38 LYS CB C 38 32.014 32.014 31.895 0.119 19549 3389 1 13 . 1 1 38 38 LYS H H 38 8.550 8.550 8.653 -0.103 19549 3390 1 13 . 1 1 39 39 ASP N N 39 113.829 113.829 118.457 -4.628 19549 3391 1 13 . 1 1 39 39 ASP HA H 39 4.374 4.374 4.576 -0.202 19549 3392 1 13 . 1 1 39 39 ASP CA C 39 54.078 54.078 55.503 -1.425 19549 3393 1 13 . 1 1 39 39 ASP CB C 39 39.822 39.822 41.083 -1.261 19549 3394 1 13 . 1 1 39 39 ASP H H 39 8.143 8.143 8.204 -0.061 19549 3395 1 13 . 1 1 40 40 VAL N N 40 122.624 122.624 115.759 6.865 19549 3396 1 13 . 1 1 40 40 VAL HA H 40 3.980 3.980 4.438 -0.458 19549 3397 1 13 . 1 1 40 40 VAL CA C 40 62.040 62.040 59.658 2.382 19549 3398 1 13 . 1 1 40 40 VAL CB C 40 31.928 31.928 34.646 -2.718 19549 3399 1 13 . 1 1 40 40 VAL H H 40 8.020 8.020 7.532 0.488 19549 3400 1 13 . 1 1 41 41 ALA N N 41 133.718 133.718 123.523 10.195 19549 3401 1 13 . 1 1 41 41 ALA HA H 41 4.474 4.474 4.736 -0.262 19549 3402 1 13 . 1 1 41 41 ALA CA C 41 52.263 52.263 51.051 1.212 19549 3403 1 13 . 1 1 41 41 ALA CB C 41 19.155 19.155 19.788 -0.633 19549 3404 1 13 . 1 1 41 41 ALA H H 41 8.897 8.897 8.264 0.633 19549 3405 1 13 . 1 1 42 42 VAL N N 42 125.194 125.194 120.083 5.111 19549 3406 1 13 . 1 1 42 42 VAL HA H 42 4.434 4.434 4.302 0.132 19549 3407 1 13 . 1 1 42 42 VAL CA C 42 60.771 60.771 61.436 -0.665 19549 3408 1 13 . 1 1 42 42 VAL CB C 42 33.599 33.599 33.117 0.482 19549 3409 1 13 . 1 1 42 42 VAL H H 42 7.847 7.847 7.931 -0.084 19549 3410 1 13 . 1 1 43 43 HIS N N 43 118.938 118.938 123.558 -4.620 19549 3411 1 13 . 1 1 43 43 HIS HA H 43 5.566 5.566 4.866 0.700 19549 3412 1 13 . 1 1 43 43 HIS CA C 43 53.931 53.931 55.293 -1.362 19549 3413 1 13 . 1 1 43 43 HIS CB C 43 37.649 37.649 31.759 5.890 19549 3414 1 13 . 1 1 43 43 HIS H H 43 8.644 8.644 8.412 0.232 19549 3415 1 13 . 1 1 44 44 ARG N N 44 122.301 122.301 122.008 0.293 19549 3416 1 13 . 1 1 44 44 ARG HA H 44 3.970 3.970 4.318 -0.348 19549 3417 1 13 . 1 1 44 44 ARG CA C 44 58.580 58.580 56.204 2.376 19549 3418 1 13 . 1 1 44 44 ARG H H 44 8.828 8.828 8.625 0.203 19549 3419 1 13 . 1 1 45 45 GLU N N 45 126.010 126.010 122.915 3.095 19549 3420 1 13 . 1 1 45 45 GLU HA H 45 4.417 4.417 4.027 0.390 19549 3421 1 13 . 1 1 45 45 GLU CA C 45 59.945 59.945 59.367 0.578 19549 3422 1 13 . 1 1 45 45 GLU CB C 45 29.981 29.981 29.597 0.384 19549 3423 1 13 . 1 1 45 45 GLU H H 45 7.895 7.895 8.978 -1.083 19549 3424 1 13 . 1 1 46 46 GLU N N 46 118.177 118.177 119.016 -0.839 19549 3425 1 13 . 1 1 46 46 GLU HA H 46 4.269 4.269 4.164 0.105 19549 3426 1 13 . 1 1 46 46 GLU CA C 46 58.726 58.726 59.060 -0.334 19549 3427 1 13 . 1 1 46 46 GLU CB C 46 27.085 27.085 29.110 -2.025 19549 3428 1 13 . 1 1 46 46 GLU H H 46 10.765 10.765 8.673 2.092 19549 3429 1 13 . 1 1 47 47 ILE N N 47 122.543 122.543 119.420 3.123 19549 3430 1 13 . 1 1 47 47 ILE HA H 47 3.796 3.796 3.906 -0.110 19549 3431 1 13 . 1 1 47 47 ILE CA C 47 61.102 61.102 62.014 -0.912 19549 3432 1 13 . 1 1 47 47 ILE CB C 47 35.713 35.713 36.887 -1.174 19549 3433 1 13 . 1 1 47 47 ILE H H 47 7.197 7.197 7.522 -0.325 19549 3434 1 13 . 1 1 48 48 TYR N N 48 122.234 122.234 121.832 0.402 19549 3435 1 13 . 1 1 48 48 TYR HA H 48 3.655 3.655 4.038 -0.383 19549 3436 1 13 . 1 1 48 48 TYR CA C 48 62.312 62.312 61.920 0.392 19549 3437 1 13 . 1 1 48 48 TYR CB C 48 39.249 39.249 38.188 1.061 19549 3438 1 13 . 1 1 48 48 TYR H H 48 8.134 8.134 8.224 -0.090 19549 3439 1 13 . 1 1 49 49 GLN N N 49 115.293 115.293 116.359 -1.066 19549 3440 1 13 . 1 1 49 49 GLN HA H 49 3.856 3.856 4.072 -0.216 19549 3441 1 13 . 1 1 49 49 GLN CA C 49 58.599 58.599 58.167 0.432 19549 3442 1 13 . 1 1 49 49 GLN CB C 49 28.265 28.265 28.562 -0.297 19549 3443 1 13 . 1 1 49 49 GLN H H 49 8.658 8.658 7.724 0.934 19549 3444 1 13 . 1 1 50 50 ARG N N 50 120.188 120.188 116.811 3.377 19549 3445 1 13 . 1 1 50 50 ARG HA H 50 3.983 3.983 4.169 -0.186 19549 3446 1 13 . 1 1 50 50 ARG CA C 50 59.219 59.219 57.402 1.817 19549 3447 1 13 . 1 1 50 50 ARG CB C 50 30.367 30.367 30.247 0.120 19549 3448 1 13 . 1 1 50 50 ARG H H 50 7.135 7.135 7.589 -0.454 19549 3449 1 13 . 1 1 51 51 ILE N N 51 120.791 120.791 117.792 2.999 19549 3450 1 13 . 1 1 51 51 ILE HA H 51 3.628 3.628 3.962 -0.334 19549 3451 1 13 . 1 1 51 51 ILE CA C 51 64.528 64.528 62.723 1.805 19549 3452 1 13 . 1 1 51 51 ILE CB C 51 38.019 38.019 38.735 -0.716 19549 3453 1 13 . 1 1 51 51 ILE H H 51 7.897 7.897 7.197 0.700 19549 3454 1 13 . 1 1 52 52 GLN N N 52 118.963 118.963 118.409 0.554 19549 3455 1 13 . 1 1 52 52 GLN HA H 52 3.808 3.808 3.967 -0.159 19549 3456 1 13 . 1 1 52 52 GLN CA C 52 57.546 57.546 56.340 1.206 19549 3457 1 13 . 1 1 52 52 GLN CB C 52 28.215 28.215 27.377 0.838 19549 3458 1 13 . 1 1 52 52 GLN H H 52 7.915 7.915 7.720 0.195 19549 3459 1 13 . 1 1 53 53 ALA N N 53 120.242 120.242 120.487 -0.245 19549 3460 1 13 . 1 1 53 53 ALA HA H 53 4.190 4.190 4.188 0.002 19549 3461 1 13 . 1 1 53 53 ALA CA C 53 53.069 53.069 52.815 0.254 19549 3462 1 13 . 1 1 53 53 ALA CB C 53 18.757 18.757 18.839 -0.082 19549 3463 1 13 . 1 1 53 53 ALA H H 53 7.558 7.558 7.699 -0.141 19549 3464 1 13 . 1 1 54 54 GLY N N 54 105.982 105.982 104.481 1.501 19549 3465 1 13 . 1 1 54 54 GLY CA C 54 45.670 45.670 44.937 0.733 19549 3466 1 13 . 1 1 54 54 GLY H H 54 7.714 7.714 7.794 -0.080 19549 3467 1 13 . 1 1 55 55 LEU N N 55 120.632 120.632 117.532 3.100 19549 3468 1 13 . 1 1 55 55 LEU HA H 55 4.320 4.320 5.013 -0.693 19549 3469 1 13 . 1 1 55 55 LEU CA C 55 55.352 55.352 53.784 1.568 19549 3470 1 13 . 1 1 55 55 LEU CB C 55 42.303 42.303 42.959 -0.656 19549 3471 1 13 . 1 1 55 55 LEU H H 55 7.725 7.725 8.001 -0.276 19549 3472 1 13 . 1 1 56 56 THR N N 56 113.330 113.330 108.038 5.292 19549 3473 1 13 . 1 1 56 56 THR HA H 56 4.258 4.258 4.446 -0.188 19549 3474 1 13 . 1 1 56 56 THR CA C 56 61.410 61.410 62.052 -0.642 19549 3475 1 13 . 1 1 56 56 THR CB C 56 70.101 70.101 69.770 0.330 19549 3476 1 13 . 1 1 56 56 THR H H 56 7.902 7.902 8.285 -0.383 19549 3477 1 13 . 1 1 57 57 ALA N N 57 127.054 127.054 124.347 2.707 19549 3478 1 13 . 1 1 57 57 ALA HA H 57 4.475 4.475 4.645 -0.170 19549 3479 1 13 . 1 1 57 57 ALA CA C 57 50.560 50.560 50.850 -0.290 19549 3480 1 13 . 1 1 57 57 ALA CB C 57 18.502 18.502 19.282 -0.780 19549 3481 1 13 . 1 1 57 57 ALA H H 57 8.050 8.050 7.824 0.226 19549 3482 1 13 . 1 1 58 58 PRO HA H 58 4.269 4.269 4.446 -0.177 19549 3483 1 13 . 1 1 58 58 PRO CA C 58 63.723 63.723 62.396 1.327 19549 3484 1 13 . 1 1 58 58 PRO CB C 58 31.907 31.907 32.441 -0.534 19549 3485 1 14 . 1 1 2 2 LEU N N 2 124.131 124.131 125.391 -1.260 19549 3486 1 14 . 1 1 2 2 LEU HA H 2 4.628 4.628 5.159 -0.531 19549 3487 1 14 . 1 1 2 2 LEU CA C 2 54.587 54.587 53.858 0.729 19549 3488 1 14 . 1 1 2 2 LEU CB C 2 42.584 42.584 44.969 -2.385 19549 3489 1 14 . 1 1 2 2 LEU H H 2 8.398 8.398 8.922 -0.524 19549 3490 1 14 . 1 1 3 3 ILE N N 3 130.553 130.553 120.504 10.049 19549 3491 1 14 . 1 1 3 3 ILE HA H 3 5.008 5.008 4.411 0.597 19549 3492 1 14 . 1 1 3 3 ILE CA C 3 60.327 60.327 60.833 -0.506 19549 3493 1 14 . 1 1 3 3 ILE CB C 3 38.133 38.133 39.191 -1.058 19549 3494 1 14 . 1 1 3 3 ILE H H 3 10.460 10.460 8.039 2.421 19549 3495 1 14 . 1 1 4 4 LEU N N 4 125.358 125.358 125.070 0.288 19549 3496 1 14 . 1 1 4 4 LEU HA H 4 4.963 4.963 4.763 0.200 19549 3497 1 14 . 1 1 4 4 LEU CA C 4 52.865 52.865 54.019 -1.154 19549 3498 1 14 . 1 1 4 4 LEU CB C 4 46.677 46.677 44.320 2.357 19549 3499 1 14 . 1 1 4 4 LEU H H 4 8.905 8.905 8.182 0.723 19549 3500 1 14 . 1 1 5 5 THR N N 5 116.751 116.751 117.297 -0.546 19549 3501 1 14 . 1 1 5 5 THR HA H 5 5.488 5.488 4.666 0.822 19549 3502 1 14 . 1 1 5 5 THR CA C 5 60.717 60.717 62.005 -1.288 19549 3503 1 14 . 1 1 5 5 THR CB C 5 69.781 69.781 69.043 0.738 19549 3504 1 14 . 1 1 5 5 THR H H 5 9.479 9.479 8.233 1.246 19549 3505 1 14 . 1 1 6 6 ARG N N 6 124.665 124.665 124.786 -0.121 19549 3506 1 14 . 1 1 6 6 ARG HA H 6 4.989 4.989 4.753 0.236 19549 3507 1 14 . 1 1 6 6 ARG CA C 6 55.266 55.266 55.650 -0.384 19549 3508 1 14 . 1 1 6 6 ARG CB C 6 38.593 38.593 32.064 6.529 19549 3509 1 14 . 1 1 6 6 ARG H H 6 9.293 9.293 8.546 0.747 19549 3510 1 14 . 1 1 7 7 LYS N N 7 123.257 123.257 119.810 3.447 19549 3511 1 14 . 1 1 7 7 LYS HA H 7 5.102 5.102 4.515 0.587 19549 3512 1 14 . 1 1 7 7 LYS CA C 7 54.238 54.238 55.038 -0.800 19549 3513 1 14 . 1 1 7 7 LYS CB C 7 34.302 34.302 34.820 -0.518 19549 3514 1 14 . 1 1 7 7 LYS H H 7 9.412 9.412 8.222 1.190 19549 3515 1 14 . 1 1 8 8 VAL N N 8 118.052 118.052 118.606 -0.554 19549 3516 1 14 . 1 1 8 8 VAL HA H 8 3.277 3.277 3.899 -0.622 19549 3517 1 14 . 1 1 8 8 VAL CA C 8 65.940 65.940 63.340 2.600 19549 3518 1 14 . 1 1 8 8 VAL CB C 8 31.648 31.648 31.230 0.418 19549 3519 1 14 . 1 1 8 8 VAL H H 8 7.480 7.480 8.348 -0.868 19549 3520 1 14 . 1 1 9 9 GLY N N 9 115.983 115.983 114.573 1.410 19549 3521 1 14 . 1 1 9 9 GLY CA C 9 44.555 44.555 44.984 -0.429 19549 3522 1 14 . 1 1 9 9 GLY H H 9 9.192 9.192 9.185 0.007 19549 3523 1 14 . 1 1 10 10 GLU N N 10 119.194 119.194 120.869 -1.675 19549 3524 1 14 . 1 1 10 10 GLU HA H 10 4.886 4.886 4.772 0.114 19549 3525 1 14 . 1 1 10 10 GLU CA C 10 55.870 55.870 54.581 1.289 19549 3526 1 14 . 1 1 10 10 GLU CB C 10 33.038 33.038 31.746 1.292 19549 3527 1 14 . 1 1 10 10 GLU H H 10 8.294 8.294 7.814 0.480 19549 3528 1 14 . 1 1 11 11 SER N N 11 112.576 112.576 113.970 -1.394 19549 3529 1 14 . 1 1 11 11 SER HA H 11 5.875 5.875 5.187 0.688 19549 3530 1 14 . 1 1 11 11 SER CA C 11 58.033 58.033 57.099 0.934 19549 3531 1 14 . 1 1 11 11 SER CB C 11 67.006 67.006 66.099 0.907 19549 3532 1 14 . 1 1 11 11 SER H H 11 8.651 8.651 8.436 0.215 19549 3533 1 14 . 1 1 12 12 ILE N N 12 124.514 124.514 120.311 4.203 19549 3534 1 14 . 1 1 12 12 ILE HA H 12 4.383 4.383 4.544 -0.161 19549 3535 1 14 . 1 1 12 12 ILE CA C 12 60.041 60.041 59.435 0.606 19549 3536 1 14 . 1 1 12 12 ILE CB C 12 42.818 42.818 42.983 -0.165 19549 3537 1 14 . 1 1 12 12 ILE H H 12 9.266 9.266 8.845 0.421 19549 3538 1 14 . 1 1 13 13 ASN N N 13 126.280 126.280 119.591 6.689 19549 3539 1 14 . 1 1 13 13 ASN HA H 13 4.991 4.991 5.177 -0.186 19549 3540 1 14 . 1 1 13 13 ASN CA C 13 53.546 53.546 52.603 0.943 19549 3541 1 14 . 1 1 13 13 ASN CB C 13 41.558 41.558 41.955 -0.397 19549 3542 1 14 . 1 1 13 13 ASN H H 13 9.360 9.360 8.464 0.896 19549 3543 1 14 . 1 1 14 14 ILE N N 14 123.986 123.986 120.849 3.137 19549 3544 1 14 . 1 1 14 14 ILE HA H 14 4.439 4.439 4.485 -0.046 19549 3545 1 14 . 1 1 14 14 ILE CA C 14 60.646 60.646 60.533 0.113 19549 3546 1 14 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.726 -3.217 19549 3547 1 14 . 1 1 14 14 ILE H H 14 8.425 8.425 8.298 0.127 19549 3548 1 14 . 1 1 15 15 GLY N N 15 115.388 115.388 112.394 2.994 19549 3549 1 14 . 1 1 15 15 GLY CA C 15 46.004 46.004 46.228 -0.224 19549 3550 1 14 . 1 1 15 15 GLY H H 15 9.067 9.067 8.589 0.478 19549 3551 1 14 . 1 1 16 16 ASP N N 16 120.794 120.794 120.953 -0.159 19549 3552 1 14 . 1 1 16 16 ASP HA H 16 4.958 4.958 4.697 0.261 19549 3553 1 14 . 1 1 16 16 ASP CA C 16 55.353 55.353 54.145 1.208 19549 3554 1 14 . 1 1 16 16 ASP CB C 16 42.388 42.388 41.431 0.957 19549 3555 1 14 . 1 1 16 16 ASP H H 16 8.760 8.760 8.340 0.420 19549 3556 1 14 . 1 1 17 17 ASP N N 17 115.630 115.630 119.890 -4.260 19549 3557 1 14 . 1 1 17 17 ASP HA H 17 4.748 4.748 4.858 -0.110 19549 3558 1 14 . 1 1 17 17 ASP CA C 17 54.200 54.200 53.956 0.244 19549 3559 1 14 . 1 1 17 17 ASP CB C 17 42.610 42.610 43.834 -1.224 19549 3560 1 14 . 1 1 17 17 ASP H H 17 8.159 8.159 7.960 0.199 19549 3561 1 14 . 1 1 18 18 ILE N N 18 118.662 118.662 120.315 -1.653 19549 3562 1 14 . 1 1 18 18 ILE HA H 18 5.229 5.229 5.292 -0.063 19549 3563 1 14 . 1 1 18 18 ILE CA C 18 60.093 60.093 59.889 0.204 19549 3564 1 14 . 1 1 18 18 ILE CB C 18 39.842 39.842 42.052 -2.210 19549 3565 1 14 . 1 1 18 18 ILE H H 18 7.168 7.168 7.735 -0.567 19549 3566 1 14 . 1 1 19 19 THR N N 19 122.951 122.951 120.655 2.296 19549 3567 1 14 . 1 1 19 19 THR HA H 19 5.125 5.125 5.046 0.079 19549 3568 1 14 . 1 1 19 19 THR CA C 19 60.957 60.957 61.427 -0.470 19549 3569 1 14 . 1 1 19 19 THR CB C 19 71.814 71.814 72.557 -0.743 19549 3570 1 14 . 1 1 19 19 THR H H 19 8.929 8.929 8.793 0.136 19549 3571 1 14 . 1 1 20 20 ILE N N 20 123.522 123.522 121.997 1.525 19549 3572 1 14 . 1 1 20 20 ILE HA H 20 4.929 4.929 4.860 0.069 19549 3573 1 14 . 1 1 20 20 ILE CA C 20 58.829 58.829 59.394 -0.565 19549 3574 1 14 . 1 1 20 20 ILE CB C 20 40.386 40.386 41.890 -1.504 19549 3575 1 14 . 1 1 20 20 ILE H H 20 8.933 8.933 9.076 -0.143 19549 3576 1 14 . 1 1 21 21 THR N N 21 123.651 123.651 120.085 3.566 19549 3577 1 14 . 1 1 21 21 THR HA H 21 4.830 4.830 4.986 -0.156 19549 3578 1 14 . 1 1 21 21 THR CA C 21 61.581 61.581 61.353 0.228 19549 3579 1 14 . 1 1 21 21 THR CB C 21 72.037 72.037 72.294 -0.257 19549 3580 1 14 . 1 1 21 21 THR H H 21 9.395 9.395 8.946 0.449 19549 3581 1 14 . 1 1 22 22 ILE N N 22 125.699 125.699 126.472 -0.773 19549 3582 1 14 . 1 1 22 22 ILE HA H 22 4.061 4.061 4.536 -0.475 19549 3583 1 14 . 1 1 22 22 ILE CA C 22 59.160 59.160 58.371 0.789 19549 3584 1 14 . 1 1 22 22 ILE CB C 22 33.845 33.845 38.313 -4.468 19549 3585 1 14 . 1 1 22 22 ILE H H 22 8.108 8.108 8.436 -0.328 19549 3586 1 14 . 1 1 23 23 LEU N N 23 129.578 129.578 128.838 0.740 19549 3587 1 14 . 1 1 23 23 LEU HA H 23 4.594 4.594 4.288 0.306 19549 3588 1 14 . 1 1 23 23 LEU CA C 23 56.030 56.030 56.194 -0.164 19549 3589 1 14 . 1 1 23 23 LEU CB C 23 42.217 42.217 41.797 0.420 19549 3590 1 14 . 1 1 23 23 LEU H H 23 8.756 8.756 8.361 0.395 19549 3591 1 14 . 1 1 24 24 GLY N N 24 104.272 104.272 104.534 -0.262 19549 3592 1 14 . 1 1 24 24 GLY CA C 24 45.970 45.970 44.801 1.169 19549 3593 1 14 . 1 1 24 24 GLY H H 24 7.514 7.514 7.619 -0.104 19549 3594 1 14 . 1 1 25 25 VAL N N 25 120.134 120.134 116.518 3.616 19549 3595 1 14 . 1 1 25 25 VAL HA H 25 4.647 4.647 4.795 -0.148 19549 3596 1 14 . 1 1 25 25 VAL CA C 25 61.531 61.531 58.539 2.992 19549 3597 1 14 . 1 1 25 25 VAL CB C 25 35.904 35.904 35.565 0.339 19549 3598 1 14 . 1 1 25 25 VAL H H 25 8.395 8.395 8.240 0.155 19549 3599 1 14 . 1 1 26 26 SER N N 26 121.285 121.285 118.129 3.156 19549 3600 1 14 . 1 1 26 26 SER HA H 26 4.603 4.603 4.641 -0.038 19549 3601 1 14 . 1 1 26 26 SER CA C 26 54.493 54.493 57.996 -3.503 19549 3602 1 14 . 1 1 26 26 SER CB C 26 63.660 63.660 63.639 0.021 19549 3603 1 14 . 1 1 26 26 SER H H 26 8.572 8.572 8.678 -0.106 19549 3604 1 14 . 1 1 27 27 GLY N N 27 118.284 118.284 115.656 2.628 19549 3605 1 14 . 1 1 27 27 GLY CA C 27 47.497 47.497 45.617 1.880 19549 3606 1 14 . 1 1 27 27 GLY H H 27 9.023 9.023 8.389 0.634 19549 3607 1 14 . 1 1 28 28 GLN N N 28 124.451 124.451 122.023 2.428 19549 3608 1 14 . 1 1 28 28 GLN HA H 28 4.279 4.279 4.329 -0.050 19549 3609 1 14 . 1 1 28 28 GLN CA C 28 55.059 55.059 56.178 -1.119 19549 3610 1 14 . 1 1 28 28 GLN CB C 28 29.318 29.318 28.786 0.532 19549 3611 1 14 . 1 1 28 28 GLN H H 28 8.677 8.677 8.616 0.061 19549 3612 1 14 . 1 1 29 29 GLN N N 29 117.498 117.498 119.656 -2.158 19549 3613 1 14 . 1 1 29 29 GLN HA H 29 4.634 4.634 4.352 0.282 19549 3614 1 14 . 1 1 29 29 GLN CA C 29 55.294 55.294 56.708 -1.414 19549 3615 1 14 . 1 1 29 29 GLN CB C 29 31.664 31.664 30.083 1.581 19549 3616 1 14 . 1 1 29 29 GLN H H 29 8.008 8.008 7.658 0.350 19549 3617 1 14 . 1 1 30 30 VAL N N 30 124.525 124.525 123.218 1.307 19549 3618 1 14 . 1 1 30 30 VAL HA H 30 4.529 4.529 4.444 0.085 19549 3619 1 14 . 1 1 30 30 VAL CA C 30 60.568 60.568 61.372 -0.804 19549 3620 1 14 . 1 1 30 30 VAL CB C 30 34.606 34.606 33.747 0.859 19549 3621 1 14 . 1 1 30 30 VAL H H 30 9.147 9.147 8.300 0.847 19549 3622 1 14 . 1 1 31 31 ARG N N 31 128.593 128.593 128.549 0.044 19549 3623 1 14 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.590 0.047 19549 3624 1 14 . 1 1 31 31 ARG CA C 31 55.501 55.501 55.508 -0.007 19549 3625 1 14 . 1 1 31 31 ARG CB C 31 31.889 31.889 31.477 0.412 19549 3626 1 14 . 1 1 31 31 ARG H H 31 8.690 8.690 8.806 -0.116 19549 3627 1 14 . 1 1 32 32 ILE N N 32 127.666 127.666 123.119 4.547 19549 3628 1 14 . 1 1 32 32 ILE HA H 32 4.613 4.613 4.834 -0.221 19549 3629 1 14 . 1 1 32 32 ILE CA C 32 59.838 59.838 59.521 0.317 19549 3630 1 14 . 1 1 32 32 ILE CB C 32 41.183 41.183 42.350 -1.167 19549 3631 1 14 . 1 1 32 32 ILE H H 32 9.114 9.114 8.392 0.722 19549 3632 1 14 . 1 1 33 33 GLY N N 33 112.830 112.830 111.114 1.716 19549 3633 1 14 . 1 1 33 33 GLY CA C 33 44.730 44.730 43.924 0.806 19549 3634 1 14 . 1 1 33 33 GLY H H 33 9.177 9.177 8.922 0.255 19549 3635 1 14 . 1 1 34 34 ILE N N 34 125.226 125.226 120.174 5.052 19549 3636 1 14 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.759 0.044 19549 3637 1 14 . 1 1 34 34 ILE CA C 34 61.001 61.001 60.389 0.612 19549 3638 1 14 . 1 1 34 34 ILE CB C 34 41.080 41.080 42.529 -1.449 19549 3639 1 14 . 1 1 34 34 ILE H H 34 9.637 9.637 8.202 1.435 19549 3640 1 14 . 1 1 35 35 ASN N N 35 129.590 129.590 124.011 5.579 19549 3641 1 14 . 1 1 35 35 ASN HA H 35 5.094 5.094 4.987 0.107 19549 3642 1 14 . 1 1 35 35 ASN CA C 35 52.185 52.185 52.749 -0.564 19549 3643 1 14 . 1 1 35 35 ASN CB C 35 40.108 40.108 40.968 -0.860 19549 3644 1 14 . 1 1 35 35 ASN H H 35 9.029 9.029 8.757 0.272 19549 3645 1 14 . 1 1 36 36 ALA N N 36 125.688 125.688 128.090 -2.402 19549 3646 1 14 . 1 1 36 36 ALA HA H 36 5.063 5.063 5.251 -0.188 19549 3647 1 14 . 1 1 36 36 ALA CA C 36 49.365 49.365 49.563 -0.198 19549 3648 1 14 . 1 1 36 36 ALA CB C 36 19.873 19.873 21.012 -1.139 19549 3649 1 14 . 1 1 36 36 ALA H H 36 8.208 8.208 8.180 0.028 19549 3650 1 14 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.574 -0.159 19549 3651 1 14 . 1 1 37 37 PRO CA C 37 62.916 62.916 62.277 0.639 19549 3652 1 14 . 1 1 37 37 PRO CB C 37 32.477 32.477 32.242 0.235 19549 3653 1 14 . 1 1 38 38 LYS N N 38 121.103 121.103 120.527 0.576 19549 3654 1 14 . 1 1 38 38 LYS HA H 38 3.825 3.825 4.135 -0.310 19549 3655 1 14 . 1 1 38 38 LYS CA C 38 58.927 58.927 57.547 1.380 19549 3656 1 14 . 1 1 38 38 LYS CB C 38 32.014 32.014 31.789 0.225 19549 3657 1 14 . 1 1 38 38 LYS H H 38 8.550 8.550 8.467 0.083 19549 3658 1 14 . 1 1 39 39 ASP N N 39 113.829 113.829 119.009 -5.180 19549 3659 1 14 . 1 1 39 39 ASP HA H 39 4.374 4.374 4.496 -0.122 19549 3660 1 14 . 1 1 39 39 ASP CA C 39 54.078 54.078 54.672 -0.594 19549 3661 1 14 . 1 1 39 39 ASP CB C 39 39.822 39.822 41.108 -1.286 19549 3662 1 14 . 1 1 39 39 ASP H H 39 8.143 8.143 8.289 -0.146 19549 3663 1 14 . 1 1 40 40 VAL N N 40 122.624 122.624 113.253 9.371 19549 3664 1 14 . 1 1 40 40 VAL HA H 40 3.980 3.980 4.523 -0.543 19549 3665 1 14 . 1 1 40 40 VAL CA C 40 62.040 62.040 59.858 2.182 19549 3666 1 14 . 1 1 40 40 VAL CB C 40 31.928 31.928 35.599 -3.671 19549 3667 1 14 . 1 1 40 40 VAL H H 40 8.020 8.020 7.322 0.698 19549 3668 1 14 . 1 1 41 41 ALA N N 41 133.718 133.718 124.575 9.143 19549 3669 1 14 . 1 1 41 41 ALA HA H 41 4.474 4.474 4.902 -0.428 19549 3670 1 14 . 1 1 41 41 ALA CA C 41 52.263 52.263 51.112 1.151 19549 3671 1 14 . 1 1 41 41 ALA CB C 41 19.155 19.155 20.223 -1.068 19549 3672 1 14 . 1 1 41 41 ALA H H 41 8.897 8.897 8.319 0.578 19549 3673 1 14 . 1 1 42 42 VAL N N 42 125.194 125.194 120.543 4.651 19549 3674 1 14 . 1 1 42 42 VAL HA H 42 4.434 4.434 4.327 0.107 19549 3675 1 14 . 1 1 42 42 VAL CA C 42 60.771 60.771 61.498 -0.727 19549 3676 1 14 . 1 1 42 42 VAL CB C 42 33.599 33.599 33.128 0.471 19549 3677 1 14 . 1 1 42 42 VAL H H 42 7.847 7.847 7.923 -0.076 19549 3678 1 14 . 1 1 43 43 HIS N N 43 118.938 118.938 124.497 -5.559 19549 3679 1 14 . 1 1 43 43 HIS HA H 43 5.566 5.566 4.917 0.649 19549 3680 1 14 . 1 1 43 43 HIS CA C 43 53.931 53.931 55.191 -1.260 19549 3681 1 14 . 1 1 43 43 HIS CB C 43 37.649 37.649 31.807 5.842 19549 3682 1 14 . 1 1 43 43 HIS H H 43 8.644 8.644 8.375 0.269 19549 3683 1 14 . 1 1 44 44 ARG N N 44 122.301 122.301 121.174 1.127 19549 3684 1 14 . 1 1 44 44 ARG HA H 44 3.970 3.970 4.379 -0.409 19549 3685 1 14 . 1 1 44 44 ARG CA C 44 58.580 58.580 55.731 2.849 19549 3686 1 14 . 1 1 44 44 ARG H H 44 8.828 8.828 8.705 0.123 19549 3687 1 14 . 1 1 45 45 GLU N N 45 126.010 126.010 122.135 3.875 19549 3688 1 14 . 1 1 45 45 GLU HA H 45 4.417 4.417 4.019 0.398 19549 3689 1 14 . 1 1 45 45 GLU CA C 45 59.945 59.945 59.654 0.291 19549 3690 1 14 . 1 1 45 45 GLU CB C 45 29.981 29.981 29.639 0.342 19549 3691 1 14 . 1 1 45 45 GLU H H 45 7.895 7.895 8.877 -0.982 19549 3692 1 14 . 1 1 46 46 GLU N N 46 118.177 118.177 117.868 0.309 19549 3693 1 14 . 1 1 46 46 GLU HA H 46 4.269 4.269 4.141 0.128 19549 3694 1 14 . 1 1 46 46 GLU CA C 46 58.726 58.726 59.110 -0.384 19549 3695 1 14 . 1 1 46 46 GLU CB C 46 27.085 27.085 29.474 -2.389 19549 3696 1 14 . 1 1 46 46 GLU H H 46 10.765 10.765 8.687 2.078 19549 3697 1 14 . 1 1 47 47 ILE N N 47 122.543 122.543 117.967 4.576 19549 3698 1 14 . 1 1 47 47 ILE HA H 47 3.796 3.796 3.988 -0.192 19549 3699 1 14 . 1 1 47 47 ILE CA C 47 61.102 61.102 61.062 0.040 19549 3700 1 14 . 1 1 47 47 ILE CB C 47 35.713 35.713 37.162 -1.449 19549 3701 1 14 . 1 1 47 47 ILE H H 47 7.197 7.197 7.488 -0.291 19549 3702 1 14 . 1 1 48 48 TYR N N 48 122.234 122.234 122.345 -0.111 19549 3703 1 14 . 1 1 48 48 TYR HA H 48 3.655 3.655 3.958 -0.303 19549 3704 1 14 . 1 1 48 48 TYR CA C 48 62.312 62.312 61.867 0.445 19549 3705 1 14 . 1 1 48 48 TYR CB C 48 39.249 39.249 38.130 1.119 19549 3706 1 14 . 1 1 48 48 TYR H H 48 8.134 8.134 8.601 -0.467 19549 3707 1 14 . 1 1 49 49 GLN N N 49 115.293 115.293 115.794 -0.501 19549 3708 1 14 . 1 1 49 49 GLN HA H 49 3.856 3.856 4.037 -0.181 19549 3709 1 14 . 1 1 49 49 GLN CA C 49 58.599 58.599 58.131 0.468 19549 3710 1 14 . 1 1 49 49 GLN CB C 49 28.265 28.265 28.421 -0.156 19549 3711 1 14 . 1 1 49 49 GLN H H 49 8.658 8.658 8.026 0.632 19549 3712 1 14 . 1 1 50 50 ARG N N 50 120.188 120.188 118.130 2.058 19549 3713 1 14 . 1 1 50 50 ARG HA H 50 3.983 3.983 4.259 -0.276 19549 3714 1 14 . 1 1 50 50 ARG CA C 50 59.219 59.219 57.757 1.462 19549 3715 1 14 . 1 1 50 50 ARG CB C 50 30.367 30.367 30.382 -0.015 19549 3716 1 14 . 1 1 50 50 ARG H H 50 7.135 7.135 7.889 -0.754 19549 3717 1 14 . 1 1 51 51 ILE N N 51 120.791 120.791 120.206 0.585 19549 3718 1 14 . 1 1 51 51 ILE HA H 51 3.628 3.628 3.752 -0.124 19549 3719 1 14 . 1 1 51 51 ILE CA C 51 64.528 64.528 63.563 0.965 19549 3720 1 14 . 1 1 51 51 ILE CB C 51 38.019 38.019 37.034 0.985 19549 3721 1 14 . 1 1 51 51 ILE H H 51 7.897 7.897 7.201 0.696 19549 3722 1 14 . 1 1 52 52 GLN N N 52 118.963 118.963 117.216 1.747 19549 3723 1 14 . 1 1 52 52 GLN HA H 52 3.808 3.808 4.328 -0.520 19549 3724 1 14 . 1 1 52 52 GLN CA C 52 57.546 57.546 55.437 2.109 19549 3725 1 14 . 1 1 52 52 GLN CB C 52 28.215 28.215 28.893 -0.678 19549 3726 1 14 . 1 1 52 52 GLN H H 52 7.915 7.915 7.556 0.359 19549 3727 1 14 . 1 1 53 53 ALA N N 53 120.242 120.242 119.945 0.297 19549 3728 1 14 . 1 1 53 53 ALA HA H 53 4.190 4.190 4.614 -0.424 19549 3729 1 14 . 1 1 53 53 ALA CA C 53 53.069 53.069 52.325 0.744 19549 3730 1 14 . 1 1 53 53 ALA CB C 53 18.757 18.757 20.758 -2.001 19549 3731 1 14 . 1 1 53 53 ALA H H 53 7.558 7.558 7.811 -0.253 19549 3732 1 14 . 1 1 54 54 GLY N N 54 105.982 105.982 106.483 -0.501 19549 3733 1 14 . 1 1 54 54 GLY CA C 54 45.670 45.670 45.528 0.142 19549 3734 1 14 . 1 1 54 54 GLY H H 54 7.714 7.714 7.913 -0.199 19549 3735 1 14 . 1 1 55 55 LEU N N 55 120.632 120.632 119.057 1.575 19549 3736 1 14 . 1 1 55 55 LEU HA H 55 4.320 4.320 3.954 0.366 19549 3737 1 14 . 1 1 55 55 LEU CA C 55 55.352 55.352 55.228 0.124 19549 3738 1 14 . 1 1 55 55 LEU CB C 55 42.303 42.303 41.127 1.177 19549 3739 1 14 . 1 1 55 55 LEU H H 55 7.725 7.725 7.968 -0.243 19549 3740 1 14 . 1 1 56 56 THR N N 56 113.330 113.330 113.346 -0.016 19549 3741 1 14 . 1 1 56 56 THR HA H 56 4.258 4.258 4.406 -0.148 19549 3742 1 14 . 1 1 56 56 THR CA C 56 61.410 61.410 62.200 -0.791 19549 3743 1 14 . 1 1 56 56 THR CB C 56 70.101 70.101 69.230 0.871 19549 3744 1 14 . 1 1 56 56 THR H H 56 7.902 7.902 8.070 -0.168 19549 3745 1 14 . 1 1 57 57 ALA N N 57 127.054 127.054 123.738 3.316 19549 3746 1 14 . 1 1 57 57 ALA HA H 57 4.475 4.475 4.620 -0.145 19549 3747 1 14 . 1 1 57 57 ALA CA C 57 50.560 50.560 51.093 -0.533 19549 3748 1 14 . 1 1 57 57 ALA CB C 57 18.502 18.502 18.857 -0.355 19549 3749 1 14 . 1 1 57 57 ALA H H 57 8.050 8.050 7.739 0.311 19549 3750 1 14 . 1 1 58 58 PRO HA H 58 4.269 4.269 4.398 -0.129 19549 3751 1 14 . 1 1 58 58 PRO CA C 58 63.723 63.723 62.677 1.046 19549 3752 1 14 . 1 1 58 58 PRO CB C 58 31.907 31.907 32.275 -0.368 19549 3753 1 15 . 1 1 2 2 LEU N N 2 124.131 124.131 125.287 -1.156 19549 3754 1 15 . 1 1 2 2 LEU HA H 2 4.628 4.628 5.134 -0.506 19549 3755 1 15 . 1 1 2 2 LEU CA C 2 54.587 54.587 53.853 0.734 19549 3756 1 15 . 1 1 2 2 LEU CB C 2 42.584 42.584 45.067 -2.483 19549 3757 1 15 . 1 1 2 2 LEU H H 2 8.398 8.398 8.897 -0.499 19549 3758 1 15 . 1 1 3 3 ILE N N 3 130.553 130.553 120.978 9.575 19549 3759 1 15 . 1 1 3 3 ILE HA H 3 5.008 5.008 4.406 0.602 19549 3760 1 15 . 1 1 3 3 ILE CA C 3 60.327 60.327 60.857 -0.530 19549 3761 1 15 . 1 1 3 3 ILE CB C 3 38.133 38.133 38.869 -0.736 19549 3762 1 15 . 1 1 3 3 ILE H H 3 10.460 10.460 8.116 2.344 19549 3763 1 15 . 1 1 4 4 LEU N N 4 125.358 125.358 127.793 -2.435 19549 3764 1 15 . 1 1 4 4 LEU HA H 4 4.963 4.963 4.816 0.147 19549 3765 1 15 . 1 1 4 4 LEU CA C 4 52.865 52.865 54.017 -1.153 19549 3766 1 15 . 1 1 4 4 LEU CB C 4 46.677 46.677 43.977 2.700 19549 3767 1 15 . 1 1 4 4 LEU H H 4 8.905 8.905 8.281 0.624 19549 3768 1 15 . 1 1 5 5 THR N N 5 116.751 116.751 118.179 -1.428 19549 3769 1 15 . 1 1 5 5 THR HA H 5 5.488 5.488 4.632 0.856 19549 3770 1 15 . 1 1 5 5 THR CA C 5 60.717 60.717 61.965 -1.248 19549 3771 1 15 . 1 1 5 5 THR CB C 5 69.781 69.781 69.151 0.630 19549 3772 1 15 . 1 1 5 5 THR H H 5 9.479 9.479 8.356 1.123 19549 3773 1 15 . 1 1 6 6 ARG N N 6 124.665 124.665 123.604 1.061 19549 3774 1 15 . 1 1 6 6 ARG HA H 6 4.989 4.989 4.802 0.187 19549 3775 1 15 . 1 1 6 6 ARG CA C 6 55.266 55.266 55.003 0.263 19549 3776 1 15 . 1 1 6 6 ARG CB C 6 38.593 38.593 32.156 6.437 19549 3777 1 15 . 1 1 6 6 ARG H H 6 9.293 9.293 8.444 0.849 19549 3778 1 15 . 1 1 7 7 LYS N N 7 123.257 123.257 119.862 3.395 19549 3779 1 15 . 1 1 7 7 LYS HA H 7 5.102 5.102 4.577 0.525 19549 3780 1 15 . 1 1 7 7 LYS CA C 7 54.238 54.238 54.934 -0.696 19549 3781 1 15 . 1 1 7 7 LYS CB C 7 34.302 34.302 34.096 0.206 19549 3782 1 15 . 1 1 7 7 LYS H H 7 9.412 9.412 8.330 1.082 19549 3783 1 15 . 1 1 8 8 VAL N N 8 118.052 118.052 116.988 1.064 19549 3784 1 15 . 1 1 8 8 VAL HA H 8 3.277 3.277 3.637 -0.360 19549 3785 1 15 . 1 1 8 8 VAL CA C 8 65.940 65.940 63.699 2.241 19549 3786 1 15 . 1 1 8 8 VAL CB C 8 31.648 31.648 31.369 0.279 19549 3787 1 15 . 1 1 8 8 VAL H H 8 7.480 7.480 8.219 -0.739 19549 3788 1 15 . 1 1 9 9 GLY N N 9 115.983 115.983 114.423 1.560 19549 3789 1 15 . 1 1 9 9 GLY CA C 9 44.555 44.555 44.996 -0.441 19549 3790 1 15 . 1 1 9 9 GLY H H 9 9.192 9.192 8.759 0.433 19549 3791 1 15 . 1 1 10 10 GLU N N 10 119.194 119.194 121.271 -2.077 19549 3792 1 15 . 1 1 10 10 GLU HA H 10 4.886 4.886 4.691 0.195 19549 3793 1 15 . 1 1 10 10 GLU CA C 10 55.870 55.870 55.053 0.817 19549 3794 1 15 . 1 1 10 10 GLU CB C 10 33.038 33.038 31.293 1.745 19549 3795 1 15 . 1 1 10 10 GLU H H 10 8.294 8.294 7.837 0.457 19549 3796 1 15 . 1 1 11 11 SER N N 11 112.576 112.576 113.688 -1.112 19549 3797 1 15 . 1 1 11 11 SER HA H 11 5.875 5.875 5.171 0.704 19549 3798 1 15 . 1 1 11 11 SER CA C 11 58.033 58.033 57.126 0.907 19549 3799 1 15 . 1 1 11 11 SER CB C 11 67.006 67.006 66.019 0.987 19549 3800 1 15 . 1 1 11 11 SER H H 11 8.651 8.651 8.424 0.227 19549 3801 1 15 . 1 1 12 12 ILE N N 12 124.514 124.514 120.400 4.114 19549 3802 1 15 . 1 1 12 12 ILE HA H 12 4.383 4.383 4.529 -0.146 19549 3803 1 15 . 1 1 12 12 ILE CA C 12 60.041 60.041 59.959 0.082 19549 3804 1 15 . 1 1 12 12 ILE CB C 12 42.818 42.818 43.091 -0.273 19549 3805 1 15 . 1 1 12 12 ILE H H 12 9.266 9.266 8.635 0.631 19549 3806 1 15 . 1 1 13 13 ASN N N 13 126.280 126.280 120.229 6.051 19549 3807 1 15 . 1 1 13 13 ASN HA H 13 4.991 4.991 5.049 -0.058 19549 3808 1 15 . 1 1 13 13 ASN CA C 13 53.546 53.546 52.547 0.999 19549 3809 1 15 . 1 1 13 13 ASN CB C 13 41.558 41.558 41.628 -0.070 19549 3810 1 15 . 1 1 13 13 ASN H H 13 9.360 9.360 8.453 0.907 19549 3811 1 15 . 1 1 14 14 ILE N N 14 123.986 123.986 120.649 3.337 19549 3812 1 15 . 1 1 14 14 ILE HA H 14 4.439 4.439 4.481 -0.042 19549 3813 1 15 . 1 1 14 14 ILE CA C 14 60.646 60.646 60.602 0.044 19549 3814 1 15 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.705 -3.196 19549 3815 1 15 . 1 1 14 14 ILE H H 14 8.425 8.425 8.423 0.002 19549 3816 1 15 . 1 1 15 15 GLY N N 15 115.388 115.388 112.684 2.704 19549 3817 1 15 . 1 1 15 15 GLY CA C 15 46.004 46.004 46.091 -0.087 19549 3818 1 15 . 1 1 15 15 GLY H H 15 9.067 9.067 8.630 0.437 19549 3819 1 15 . 1 1 16 16 ASP N N 16 120.794 120.794 122.655 -1.861 19549 3820 1 15 . 1 1 16 16 ASP HA H 16 4.958 4.958 4.738 0.220 19549 3821 1 15 . 1 1 16 16 ASP CA C 16 55.353 55.353 54.309 1.044 19549 3822 1 15 . 1 1 16 16 ASP CB C 16 42.388 42.388 41.439 0.949 19549 3823 1 15 . 1 1 16 16 ASP H H 16 8.760 8.760 8.383 0.377 19549 3824 1 15 . 1 1 17 17 ASP N N 17 115.630 115.630 119.727 -4.097 19549 3825 1 15 . 1 1 17 17 ASP HA H 17 4.748 4.748 4.843 -0.095 19549 3826 1 15 . 1 1 17 17 ASP CA C 17 54.200 54.200 54.048 0.152 19549 3827 1 15 . 1 1 17 17 ASP CB C 17 42.610 42.610 43.745 -1.135 19549 3828 1 15 . 1 1 17 17 ASP H H 17 8.159 8.159 7.987 0.172 19549 3829 1 15 . 1 1 18 18 ILE N N 18 118.662 118.662 120.289 -1.627 19549 3830 1 15 . 1 1 18 18 ILE HA H 18 5.229 5.229 5.274 -0.045 19549 3831 1 15 . 1 1 18 18 ILE CA C 18 60.093 60.093 60.255 -0.162 19549 3832 1 15 . 1 1 18 18 ILE CB C 18 39.842 39.842 41.983 -2.140 19549 3833 1 15 . 1 1 18 18 ILE H H 18 7.168 7.168 7.690 -0.522 19549 3834 1 15 . 1 1 19 19 THR N N 19 122.951 122.951 121.180 1.771 19549 3835 1 15 . 1 1 19 19 THR HA H 19 5.125 5.125 4.976 0.149 19549 3836 1 15 . 1 1 19 19 THR CA C 19 60.957 60.957 61.462 -0.505 19549 3837 1 15 . 1 1 19 19 THR CB C 19 71.814 71.814 72.239 -0.425 19549 3838 1 15 . 1 1 19 19 THR H H 19 8.929 8.929 8.735 0.194 19549 3839 1 15 . 1 1 20 20 ILE N N 20 123.522 123.522 121.917 1.605 19549 3840 1 15 . 1 1 20 20 ILE HA H 20 4.929 4.929 4.956 -0.027 19549 3841 1 15 . 1 1 20 20 ILE CA C 20 58.829 58.829 59.054 -0.225 19549 3842 1 15 . 1 1 20 20 ILE CB C 20 40.386 40.386 41.569 -1.183 19549 3843 1 15 . 1 1 20 20 ILE H H 20 8.933 8.933 9.134 -0.201 19549 3844 1 15 . 1 1 21 21 THR N N 21 123.651 123.651 120.242 3.409 19549 3845 1 15 . 1 1 21 21 THR HA H 21 4.830 4.830 4.986 -0.156 19549 3846 1 15 . 1 1 21 21 THR CA C 21 61.581 61.581 61.468 0.114 19549 3847 1 15 . 1 1 21 21 THR CB C 21 72.037 72.037 72.590 -0.553 19549 3848 1 15 . 1 1 21 21 THR H H 21 9.395 9.395 9.021 0.374 19549 3849 1 15 . 1 1 22 22 ILE N N 22 125.699 125.699 126.431 -0.732 19549 3850 1 15 . 1 1 22 22 ILE HA H 22 4.061 4.061 4.507 -0.446 19549 3851 1 15 . 1 1 22 22 ILE CA C 22 59.160 59.160 58.799 0.361 19549 3852 1 15 . 1 1 22 22 ILE CB C 22 33.845 33.845 38.925 -5.080 19549 3853 1 15 . 1 1 22 22 ILE H H 22 8.108 8.108 8.284 -0.176 19549 3854 1 15 . 1 1 23 23 LEU N N 23 129.578 129.578 129.691 -0.113 19549 3855 1 15 . 1 1 23 23 LEU HA H 23 4.594 4.594 4.437 0.157 19549 3856 1 15 . 1 1 23 23 LEU CA C 23 56.030 56.030 55.732 0.298 19549 3857 1 15 . 1 1 23 23 LEU CB C 23 42.217 42.217 41.963 0.254 19549 3858 1 15 . 1 1 23 23 LEU H H 23 8.756 8.756 8.745 0.011 19549 3859 1 15 . 1 1 24 24 GLY N N 24 104.272 104.272 104.545 -0.273 19549 3860 1 15 . 1 1 24 24 GLY CA C 24 45.970 45.970 44.778 1.192 19549 3861 1 15 . 1 1 24 24 GLY H H 24 7.514 7.514 7.663 -0.149 19549 3862 1 15 . 1 1 25 25 VAL N N 25 120.134 120.134 115.646 4.488 19549 3863 1 15 . 1 1 25 25 VAL HA H 25 4.647 4.647 4.922 -0.275 19549 3864 1 15 . 1 1 25 25 VAL CA C 25 61.531 61.531 58.914 2.617 19549 3865 1 15 . 1 1 25 25 VAL CB C 25 35.904 35.904 35.899 0.005 19549 3866 1 15 . 1 1 25 25 VAL H H 25 8.395 8.395 8.347 0.049 19549 3867 1 15 . 1 1 26 26 SER N N 26 121.285 121.285 117.860 3.425 19549 3868 1 15 . 1 1 26 26 SER HA H 26 4.603 4.603 4.679 -0.076 19549 3869 1 15 . 1 1 26 26 SER CA C 26 54.493 54.493 57.708 -3.215 19549 3870 1 15 . 1 1 26 26 SER CB C 26 63.660 63.660 63.909 -0.249 19549 3871 1 15 . 1 1 26 26 SER H H 26 8.572 8.572 8.753 -0.181 19549 3872 1 15 . 1 1 27 27 GLY N N 27 118.284 118.284 117.525 0.759 19549 3873 1 15 . 1 1 27 27 GLY CA C 27 47.497 47.497 46.667 0.830 19549 3874 1 15 . 1 1 27 27 GLY H H 27 9.023 9.023 8.712 0.311 19549 3875 1 15 . 1 1 28 28 GLN N N 28 124.451 124.451 123.097 1.354 19549 3876 1 15 . 1 1 28 28 GLN HA H 28 4.279 4.279 4.507 -0.228 19549 3877 1 15 . 1 1 28 28 GLN CA C 28 55.059 55.059 55.385 -0.326 19549 3878 1 15 . 1 1 28 28 GLN CB C 28 29.318 29.318 29.714 -0.396 19549 3879 1 15 . 1 1 28 28 GLN H H 28 8.677 8.677 8.542 0.135 19549 3880 1 15 . 1 1 29 29 GLN N N 29 117.498 117.498 120.777 -3.279 19549 3881 1 15 . 1 1 29 29 GLN HA H 29 4.634 4.634 4.383 0.251 19549 3882 1 15 . 1 1 29 29 GLN CA C 29 55.294 55.294 56.740 -1.446 19549 3883 1 15 . 1 1 29 29 GLN CB C 29 31.664 31.664 29.921 1.743 19549 3884 1 15 . 1 1 29 29 GLN H H 29 8.008 8.008 7.799 0.209 19549 3885 1 15 . 1 1 30 30 VAL N N 30 124.525 124.525 122.503 2.022 19549 3886 1 15 . 1 1 30 30 VAL HA H 30 4.529 4.529 4.450 0.079 19549 3887 1 15 . 1 1 30 30 VAL CA C 30 60.568 60.568 61.237 -0.669 19549 3888 1 15 . 1 1 30 30 VAL CB C 30 34.606 34.606 33.563 1.043 19549 3889 1 15 . 1 1 30 30 VAL H H 30 9.147 9.147 8.357 0.790 19549 3890 1 15 . 1 1 31 31 ARG N N 31 128.593 128.593 129.088 -0.495 19549 3891 1 15 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.516 0.121 19549 3892 1 15 . 1 1 31 31 ARG CA C 31 55.501 55.501 55.776 -0.275 19549 3893 1 15 . 1 1 31 31 ARG CB C 31 31.889 31.889 31.508 0.381 19549 3894 1 15 . 1 1 31 31 ARG H H 31 8.690 8.690 8.703 -0.013 19549 3895 1 15 . 1 1 32 32 ILE N N 32 127.666 127.666 123.139 4.527 19549 3896 1 15 . 1 1 32 32 ILE HA H 32 4.613 4.613 4.854 -0.241 19549 3897 1 15 . 1 1 32 32 ILE CA C 32 59.838 59.838 59.393 0.445 19549 3898 1 15 . 1 1 32 32 ILE CB C 32 41.183 41.183 42.057 -0.874 19549 3899 1 15 . 1 1 32 32 ILE H H 32 9.114 9.114 8.367 0.747 19549 3900 1 15 . 1 1 33 33 GLY N N 33 112.830 112.830 111.170 1.660 19549 3901 1 15 . 1 1 33 33 GLY CA C 33 44.730 44.730 43.832 0.898 19549 3902 1 15 . 1 1 33 33 GLY H H 33 9.177 9.177 8.996 0.181 19549 3903 1 15 . 1 1 34 34 ILE N N 34 125.226 125.226 120.271 4.955 19549 3904 1 15 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.786 0.017 19549 3905 1 15 . 1 1 34 34 ILE CA C 34 61.001 61.001 60.332 0.669 19549 3906 1 15 . 1 1 34 34 ILE CB C 34 41.080 41.080 42.609 -1.529 19549 3907 1 15 . 1 1 34 34 ILE H H 34 9.637 9.637 8.188 1.449 19549 3908 1 15 . 1 1 35 35 ASN N N 35 129.590 129.590 123.918 5.672 19549 3909 1 15 . 1 1 35 35 ASN HA H 35 5.094 5.094 4.983 0.111 19549 3910 1 15 . 1 1 35 35 ASN CA C 35 52.185 52.185 52.701 -0.516 19549 3911 1 15 . 1 1 35 35 ASN CB C 35 40.108 40.108 40.809 -0.701 19549 3912 1 15 . 1 1 35 35 ASN H H 35 9.029 9.029 8.720 0.309 19549 3913 1 15 . 1 1 36 36 ALA N N 36 125.688 125.688 128.068 -2.380 19549 3914 1 15 . 1 1 36 36 ALA HA H 36 5.063 5.063 5.231 -0.168 19549 3915 1 15 . 1 1 36 36 ALA CA C 36 49.365 49.365 49.548 -0.183 19549 3916 1 15 . 1 1 36 36 ALA CB C 36 19.873 19.873 21.025 -1.152 19549 3917 1 15 . 1 1 36 36 ALA H H 36 8.208 8.208 8.164 0.044 19549 3918 1 15 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.574 -0.159 19549 3919 1 15 . 1 1 37 37 PRO CA C 37 62.916 62.916 62.261 0.655 19549 3920 1 15 . 1 1 37 37 PRO CB C 37 32.477 32.477 32.258 0.219 19549 3921 1 15 . 1 1 38 38 LYS N N 38 121.103 121.103 120.585 0.518 19549 3922 1 15 . 1 1 38 38 LYS HA H 38 3.825 3.825 4.158 -0.333 19549 3923 1 15 . 1 1 38 38 LYS CA C 38 58.927 58.927 57.681 1.246 19549 3924 1 15 . 1 1 38 38 LYS CB C 38 32.014 32.014 31.871 0.143 19549 3925 1 15 . 1 1 38 38 LYS H H 38 8.550 8.550 8.547 0.003 19549 3926 1 15 . 1 1 39 39 ASP N N 39 113.829 113.829 119.116 -5.287 19549 3927 1 15 . 1 1 39 39 ASP HA H 39 4.374 4.374 4.503 -0.129 19549 3928 1 15 . 1 1 39 39 ASP CA C 39 54.078 54.078 55.090 -1.012 19549 3929 1 15 . 1 1 39 39 ASP CB C 39 39.822 39.822 40.995 -1.173 19549 3930 1 15 . 1 1 39 39 ASP H H 39 8.143 8.143 8.405 -0.262 19549 3931 1 15 . 1 1 40 40 VAL N N 40 122.624 122.624 114.956 7.668 19549 3932 1 15 . 1 1 40 40 VAL HA H 40 3.980 3.980 4.453 -0.473 19549 3933 1 15 . 1 1 40 40 VAL CA C 40 62.040 62.040 59.747 2.293 19549 3934 1 15 . 1 1 40 40 VAL CB C 40 31.928 31.928 34.974 -3.046 19549 3935 1 15 . 1 1 40 40 VAL H H 40 8.020 8.020 7.493 0.527 19549 3936 1 15 . 1 1 41 41 ALA N N 41 133.718 133.718 124.152 9.566 19549 3937 1 15 . 1 1 41 41 ALA HA H 41 4.474 4.474 4.948 -0.474 19549 3938 1 15 . 1 1 41 41 ALA CA C 41 52.263 52.263 50.929 1.334 19549 3939 1 15 . 1 1 41 41 ALA CB C 41 19.155 19.155 20.242 -1.087 19549 3940 1 15 . 1 1 41 41 ALA H H 41 8.897 8.897 8.324 0.573 19549 3941 1 15 . 1 1 42 42 VAL N N 42 125.194 125.194 119.891 5.303 19549 3942 1 15 . 1 1 42 42 VAL HA H 42 4.434 4.434 4.322 0.112 19549 3943 1 15 . 1 1 42 42 VAL CA C 42 60.771 60.771 61.393 -0.622 19549 3944 1 15 . 1 1 42 42 VAL CB C 42 33.599 33.599 33.028 0.571 19549 3945 1 15 . 1 1 42 42 VAL H H 42 7.847 7.847 7.931 -0.084 19549 3946 1 15 . 1 1 43 43 HIS N N 43 118.938 118.938 124.217 -5.279 19549 3947 1 15 . 1 1 43 43 HIS HA H 43 5.566 5.566 4.966 0.600 19549 3948 1 15 . 1 1 43 43 HIS CA C 43 53.931 53.931 55.376 -1.445 19549 3949 1 15 . 1 1 43 43 HIS CB C 43 37.649 37.649 31.774 5.875 19549 3950 1 15 . 1 1 43 43 HIS H H 43 8.644 8.644 8.359 0.285 19549 3951 1 15 . 1 1 44 44 ARG N N 44 122.301 122.301 121.015 1.286 19549 3952 1 15 . 1 1 44 44 ARG HA H 44 3.970 3.970 4.460 -0.490 19549 3953 1 15 . 1 1 44 44 ARG CA C 44 58.580 58.580 55.690 2.890 19549 3954 1 15 . 1 1 44 44 ARG H H 44 8.828 8.828 8.590 0.238 19549 3955 1 15 . 1 1 45 45 GLU N N 45 126.010 126.010 120.871 5.139 19549 3956 1 15 . 1 1 45 45 GLU HA H 45 4.417 4.417 4.054 0.363 19549 3957 1 15 . 1 1 45 45 GLU CA C 45 59.945 59.945 59.336 0.609 19549 3958 1 15 . 1 1 45 45 GLU CB C 45 29.981 29.981 29.523 0.458 19549 3959 1 15 . 1 1 45 45 GLU H H 45 7.895 7.895 8.964 -1.069 19549 3960 1 15 . 1 1 46 46 GLU N N 46 118.177 118.177 119.095 -0.918 19549 3961 1 15 . 1 1 46 46 GLU HA H 46 4.269 4.269 4.181 0.088 19549 3962 1 15 . 1 1 46 46 GLU CA C 46 58.726 58.726 58.992 -0.266 19549 3963 1 15 . 1 1 46 46 GLU CB C 46 27.085 27.085 29.062 -1.978 19549 3964 1 15 . 1 1 46 46 GLU H H 46 10.765 10.765 8.600 2.165 19549 3965 1 15 . 1 1 47 47 ILE N N 47 122.543 122.543 120.028 2.515 19549 3966 1 15 . 1 1 47 47 ILE HA H 47 3.796 3.796 3.871 -0.075 19549 3967 1 15 . 1 1 47 47 ILE CA C 47 61.102 61.102 62.843 -1.741 19549 3968 1 15 . 1 1 47 47 ILE CB C 47 35.713 35.713 37.866 -2.153 19549 3969 1 15 . 1 1 47 47 ILE H H 47 7.197 7.197 7.496 -0.299 19549 3970 1 15 . 1 1 48 48 TYR N N 48 122.234 122.234 121.392 0.842 19549 3971 1 15 . 1 1 48 48 TYR HA H 48 3.655 3.655 4.017 -0.362 19549 3972 1 15 . 1 1 48 48 TYR CA C 48 62.312 62.312 61.808 0.504 19549 3973 1 15 . 1 1 48 48 TYR CB C 48 39.249 39.249 38.289 0.959 19549 3974 1 15 . 1 1 48 48 TYR H H 48 8.134 8.134 8.368 -0.234 19549 3975 1 15 . 1 1 49 49 GLN N N 49 115.293 115.293 117.645 -2.352 19549 3976 1 15 . 1 1 49 49 GLN HA H 49 3.856 3.856 4.085 -0.229 19549 3977 1 15 . 1 1 49 49 GLN CA C 49 58.599 58.599 58.122 0.477 19549 3978 1 15 . 1 1 49 49 GLN CB C 49 28.265 28.265 28.422 -0.157 19549 3979 1 15 . 1 1 49 49 GLN H H 49 8.658 8.658 7.957 0.701 19549 3980 1 15 . 1 1 50 50 ARG N N 50 120.188 120.188 117.261 2.927 19549 3981 1 15 . 1 1 50 50 ARG HA H 50 3.983 3.983 4.178 -0.195 19549 3982 1 15 . 1 1 50 50 ARG CA C 50 59.219 59.219 57.571 1.649 19549 3983 1 15 . 1 1 50 50 ARG CB C 50 30.367 30.367 30.349 0.018 19549 3984 1 15 . 1 1 50 50 ARG H H 50 7.135 7.135 7.581 -0.446 19549 3985 1 15 . 1 1 51 51 ILE N N 51 120.791 120.791 117.992 2.799 19549 3986 1 15 . 1 1 51 51 ILE HA H 51 3.628 3.628 3.845 -0.217 19549 3987 1 15 . 1 1 51 51 ILE CA C 51 64.528 64.528 63.663 0.865 19549 3988 1 15 . 1 1 51 51 ILE CB C 51 38.019 38.019 38.552 -0.533 19549 3989 1 15 . 1 1 51 51 ILE H H 51 7.897 7.897 7.412 0.485 19549 3990 1 15 . 1 1 52 52 GLN N N 52 118.963 118.963 119.151 -0.188 19549 3991 1 15 . 1 1 52 52 GLN HA H 52 3.808 3.808 3.997 -0.189 19549 3992 1 15 . 1 1 52 52 GLN CA C 52 57.546 57.546 56.672 0.874 19549 3993 1 15 . 1 1 52 52 GLN CB C 52 28.215 28.215 26.733 1.482 19549 3994 1 15 . 1 1 52 52 GLN H H 52 7.915 7.915 7.345 0.570 19549 3995 1 15 . 1 1 53 53 ALA N N 53 120.242 120.242 120.783 -0.541 19549 3996 1 15 . 1 1 53 53 ALA HA H 53 4.190 4.190 4.130 0.060 19549 3997 1 15 . 1 1 53 53 ALA CA C 53 53.069 53.069 52.790 0.279 19549 3998 1 15 . 1 1 53 53 ALA CB C 53 18.757 18.757 18.413 0.344 19549 3999 1 15 . 1 1 53 53 ALA H H 53 7.558 7.558 7.858 -0.300 19549 4000 1 15 . 1 1 54 54 GLY N N 54 105.982 105.982 103.795 2.187 19549 4001 1 15 . 1 1 54 54 GLY CA C 54 45.670 45.670 44.984 0.686 19549 4002 1 15 . 1 1 54 54 GLY H H 54 7.714 7.714 7.733 -0.019 19549 4003 1 15 . 1 1 55 55 LEU N N 55 120.632 120.632 115.694 4.938 19549 4004 1 15 . 1 1 55 55 LEU HA H 55 4.320 4.320 4.808 -0.488 19549 4005 1 15 . 1 1 55 55 LEU CA C 55 55.352 55.352 55.241 0.111 19549 4006 1 15 . 1 1 55 55 LEU CB C 55 42.303 42.303 42.906 -0.603 19549 4007 1 15 . 1 1 55 55 LEU H H 55 7.725 7.725 7.625 0.100 19549 4008 1 15 . 1 1 56 56 THR N N 56 113.330 113.330 113.715 -0.385 19549 4009 1 15 . 1 1 56 56 THR HA H 56 4.258 4.258 3.864 0.394 19549 4010 1 15 . 1 1 56 56 THR CA C 56 61.410 61.410 64.357 -2.947 19549 4011 1 15 . 1 1 56 56 THR CB C 56 70.101 70.101 67.674 2.427 19549 4012 1 15 . 1 1 56 56 THR H H 56 7.902 7.902 8.170 -0.268 19549 4013 1 15 . 1 1 57 57 ALA N N 57 127.054 127.054 121.648 5.406 19549 4014 1 15 . 1 1 57 57 ALA HA H 57 4.475 4.475 4.559 -0.084 19549 4015 1 15 . 1 1 57 57 ALA CA C 57 50.560 50.560 50.570 -0.010 19549 4016 1 15 . 1 1 57 57 ALA CB C 57 18.502 18.502 19.291 -0.789 19549 4017 1 15 . 1 1 57 57 ALA H H 57 8.050 8.050 7.849 0.201 19549 4018 1 15 . 1 1 58 58 PRO HA H 58 4.269 4.269 4.427 -0.158 19549 4019 1 15 . 1 1 58 58 PRO CA C 58 63.723 63.723 62.475 1.248 19549 4020 1 15 . 1 1 58 58 PRO CB C 58 31.907 31.907 32.321 -0.414 19549 4021 1 16 . 1 1 2 2 LEU N N 2 124.131 124.131 125.592 -1.461 19549 4022 1 16 . 1 1 2 2 LEU HA H 2 4.628 4.628 5.148 -0.520 19549 4023 1 16 . 1 1 2 2 LEU CA C 2 54.587 54.587 53.892 0.695 19549 4024 1 16 . 1 1 2 2 LEU CB C 2 42.584 42.584 44.945 -2.361 19549 4025 1 16 . 1 1 2 2 LEU H H 2 8.398 8.398 8.921 -0.523 19549 4026 1 16 . 1 1 3 3 ILE N N 3 130.553 130.553 122.359 8.194 19549 4027 1 16 . 1 1 3 3 ILE HA H 3 5.008 5.008 4.417 0.591 19549 4028 1 16 . 1 1 3 3 ILE CA C 3 60.327 60.327 61.142 -0.815 19549 4029 1 16 . 1 1 3 3 ILE CB C 3 38.133 38.133 39.431 -1.298 19549 4030 1 16 . 1 1 3 3 ILE H H 3 10.460 10.460 8.465 1.995 19549 4031 1 16 . 1 1 4 4 LEU N N 4 125.358 125.358 124.184 1.174 19549 4032 1 16 . 1 1 4 4 LEU HA H 4 4.963 4.963 4.745 0.218 19549 4033 1 16 . 1 1 4 4 LEU CA C 4 52.865 52.865 54.156 -1.290 19549 4034 1 16 . 1 1 4 4 LEU CB C 4 46.677 46.677 44.675 2.002 19549 4035 1 16 . 1 1 4 4 LEU H H 4 8.905 8.905 8.326 0.579 19549 4036 1 16 . 1 1 5 5 THR N N 5 116.751 116.751 117.096 -0.345 19549 4037 1 16 . 1 1 5 5 THR HA H 5 5.488 5.488 4.635 0.853 19549 4038 1 16 . 1 1 5 5 THR CA C 5 60.717 60.717 61.669 -0.952 19549 4039 1 16 . 1 1 5 5 THR CB C 5 69.781 69.781 69.067 0.715 19549 4040 1 16 . 1 1 5 5 THR H H 5 9.479 9.479 8.261 1.218 19549 4041 1 16 . 1 1 6 6 ARG N N 6 124.665 124.665 124.901 -0.236 19549 4042 1 16 . 1 1 6 6 ARG HA H 6 4.989 4.989 4.443 0.546 19549 4043 1 16 . 1 1 6 6 ARG CA C 6 55.266 55.266 55.782 -0.516 19549 4044 1 16 . 1 1 6 6 ARG CB C 6 38.593 38.593 31.342 7.251 19549 4045 1 16 . 1 1 6 6 ARG H H 6 9.293 9.293 8.395 0.898 19549 4046 1 16 . 1 1 7 7 LYS N N 7 123.257 123.257 122.830 0.427 19549 4047 1 16 . 1 1 7 7 LYS HA H 7 5.102 5.102 4.616 0.486 19549 4048 1 16 . 1 1 7 7 LYS CA C 7 54.238 54.238 54.984 -0.746 19549 4049 1 16 . 1 1 7 7 LYS CB C 7 34.302 34.302 35.030 -0.728 19549 4050 1 16 . 1 1 7 7 LYS H H 7 9.412 9.412 8.382 1.030 19549 4051 1 16 . 1 1 8 8 VAL N N 8 118.052 118.052 118.428 -0.376 19549 4052 1 16 . 1 1 8 8 VAL HA H 8 3.277 3.277 3.873 -0.596 19549 4053 1 16 . 1 1 8 8 VAL CA C 8 65.940 65.940 63.401 2.539 19549 4054 1 16 . 1 1 8 8 VAL CB C 8 31.648 31.648 31.180 0.468 19549 4055 1 16 . 1 1 8 8 VAL H H 8 7.480 7.480 8.382 -0.902 19549 4056 1 16 . 1 1 9 9 GLY N N 9 115.983 115.983 114.571 1.412 19549 4057 1 16 . 1 1 9 9 GLY CA C 9 44.555 44.555 44.899 -0.344 19549 4058 1 16 . 1 1 9 9 GLY H H 9 9.192 9.192 9.331 -0.139 19549 4059 1 16 . 1 1 10 10 GLU N N 10 119.194 119.194 120.533 -1.339 19549 4060 1 16 . 1 1 10 10 GLU HA H 10 4.886 4.886 4.846 0.040 19549 4061 1 16 . 1 1 10 10 GLU CA C 10 55.870 55.870 54.297 1.573 19549 4062 1 16 . 1 1 10 10 GLU CB C 10 33.038 33.038 32.252 0.786 19549 4063 1 16 . 1 1 10 10 GLU H H 10 8.294 8.294 7.826 0.468 19549 4064 1 16 . 1 1 11 11 SER N N 11 112.576 112.576 112.988 -0.412 19549 4065 1 16 . 1 1 11 11 SER HA H 11 5.875 5.875 5.263 0.613 19549 4066 1 16 . 1 1 11 11 SER CA C 11 58.033 58.033 57.230 0.804 19549 4067 1 16 . 1 1 11 11 SER CB C 11 67.006 67.006 66.191 0.815 19549 4068 1 16 . 1 1 11 11 SER H H 11 8.651 8.651 8.335 0.316 19549 4069 1 16 . 1 1 12 12 ILE N N 12 124.514 124.514 120.396 4.118 19549 4070 1 16 . 1 1 12 12 ILE HA H 12 4.383 4.383 4.541 -0.158 19549 4071 1 16 . 1 1 12 12 ILE CA C 12 60.041 60.041 59.303 0.738 19549 4072 1 16 . 1 1 12 12 ILE CB C 12 42.818 42.818 42.343 0.475 19549 4073 1 16 . 1 1 12 12 ILE H H 12 9.266 9.266 8.878 0.388 19549 4074 1 16 . 1 1 13 13 ASN N N 13 126.280 126.280 120.352 5.928 19549 4075 1 16 . 1 1 13 13 ASN HA H 13 4.991 4.991 5.091 -0.100 19549 4076 1 16 . 1 1 13 13 ASN CA C 13 53.546 53.546 52.507 1.039 19549 4077 1 16 . 1 1 13 13 ASN CB C 13 41.558 41.558 41.824 -0.266 19549 4078 1 16 . 1 1 13 13 ASN H H 13 9.360 9.360 8.474 0.886 19549 4079 1 16 . 1 1 14 14 ILE N N 14 123.986 123.986 120.657 3.329 19549 4080 1 16 . 1 1 14 14 ILE HA H 14 4.439 4.439 4.496 -0.057 19549 4081 1 16 . 1 1 14 14 ILE CA C 14 60.646 60.646 60.605 0.041 19549 4082 1 16 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.717 -3.208 19549 4083 1 16 . 1 1 14 14 ILE H H 14 8.425 8.425 8.387 0.038 19549 4084 1 16 . 1 1 15 15 GLY N N 15 115.388 115.388 112.639 2.749 19549 4085 1 16 . 1 1 15 15 GLY CA C 15 46.004 46.004 46.138 -0.134 19549 4086 1 16 . 1 1 15 15 GLY H H 15 9.067 9.067 8.642 0.425 19549 4087 1 16 . 1 1 16 16 ASP N N 16 120.794 120.794 122.764 -1.970 19549 4088 1 16 . 1 1 16 16 ASP HA H 16 4.958 4.958 4.740 0.218 19549 4089 1 16 . 1 1 16 16 ASP CA C 16 55.353 55.353 54.287 1.066 19549 4090 1 16 . 1 1 16 16 ASP CB C 16 42.388 42.388 41.454 0.934 19549 4091 1 16 . 1 1 16 16 ASP H H 16 8.760 8.760 8.378 0.382 19549 4092 1 16 . 1 1 17 17 ASP N N 17 115.630 115.630 119.765 -4.135 19549 4093 1 16 . 1 1 17 17 ASP HA H 17 4.748 4.748 4.841 -0.093 19549 4094 1 16 . 1 1 17 17 ASP CA C 17 54.200 54.200 54.066 0.134 19549 4095 1 16 . 1 1 17 17 ASP CB C 17 42.610 42.610 43.775 -1.165 19549 4096 1 16 . 1 1 17 17 ASP H H 17 8.159 8.159 8.015 0.144 19549 4097 1 16 . 1 1 18 18 ILE N N 18 118.662 118.662 120.158 -1.496 19549 4098 1 16 . 1 1 18 18 ILE HA H 18 5.229 5.229 5.281 -0.052 19549 4099 1 16 . 1 1 18 18 ILE CA C 18 60.093 60.093 60.258 -0.165 19549 4100 1 16 . 1 1 18 18 ILE CB C 18 39.842 39.842 42.067 -2.225 19549 4101 1 16 . 1 1 18 18 ILE H H 18 7.168 7.168 7.676 -0.508 19549 4102 1 16 . 1 1 19 19 THR N N 19 122.951 122.951 121.068 1.883 19549 4103 1 16 . 1 1 19 19 THR HA H 19 5.125 5.125 4.999 0.126 19549 4104 1 16 . 1 1 19 19 THR CA C 19 60.957 60.957 61.655 -0.698 19549 4105 1 16 . 1 1 19 19 THR CB C 19 71.814 71.814 72.490 -0.676 19549 4106 1 16 . 1 1 19 19 THR H H 19 8.929 8.929 8.796 0.133 19549 4107 1 16 . 1 1 20 20 ILE N N 20 123.522 123.522 121.918 1.604 19549 4108 1 16 . 1 1 20 20 ILE HA H 20 4.929 4.929 4.913 0.016 19549 4109 1 16 . 1 1 20 20 ILE CA C 20 58.829 58.829 59.368 -0.539 19549 4110 1 16 . 1 1 20 20 ILE CB C 20 40.386 40.386 41.987 -1.601 19549 4111 1 16 . 1 1 20 20 ILE H H 20 8.933 8.933 9.090 -0.157 19549 4112 1 16 . 1 1 21 21 THR N N 21 123.651 123.651 120.069 3.582 19549 4113 1 16 . 1 1 21 21 THR HA H 21 4.830 4.830 4.933 -0.103 19549 4114 1 16 . 1 1 21 21 THR CA C 21 61.581 61.581 61.454 0.127 19549 4115 1 16 . 1 1 21 21 THR CB C 21 72.037 72.037 72.196 -0.159 19549 4116 1 16 . 1 1 21 21 THR H H 21 9.395 9.395 8.864 0.531 19549 4117 1 16 . 1 1 22 22 ILE N N 22 125.699 125.699 126.881 -1.182 19549 4118 1 16 . 1 1 22 22 ILE HA H 22 4.061 4.061 4.524 -0.463 19549 4119 1 16 . 1 1 22 22 ILE CA C 22 59.160 59.160 58.321 0.839 19549 4120 1 16 . 1 1 22 22 ILE CB C 22 33.845 33.845 38.142 -4.296 19549 4121 1 16 . 1 1 22 22 ILE H H 22 8.108 8.108 8.498 -0.390 19549 4122 1 16 . 1 1 23 23 LEU N N 23 129.578 129.578 128.844 0.734 19549 4123 1 16 . 1 1 23 23 LEU HA H 23 4.594 4.594 4.304 0.290 19549 4124 1 16 . 1 1 23 23 LEU CA C 23 56.030 56.030 56.173 -0.143 19549 4125 1 16 . 1 1 23 23 LEU CB C 23 42.217 42.217 41.813 0.404 19549 4126 1 16 . 1 1 23 23 LEU H H 23 8.756 8.756 8.388 0.368 19549 4127 1 16 . 1 1 24 24 GLY N N 24 104.272 104.272 104.487 -0.215 19549 4128 1 16 . 1 1 24 24 GLY CA C 24 45.970 45.970 44.836 1.134 19549 4129 1 16 . 1 1 24 24 GLY H H 24 7.514 7.514 7.608 -0.094 19549 4130 1 16 . 1 1 25 25 VAL N N 25 120.134 120.134 116.169 3.965 19549 4131 1 16 . 1 1 25 25 VAL HA H 25 4.647 4.647 4.960 -0.313 19549 4132 1 16 . 1 1 25 25 VAL CA C 25 61.531 61.531 58.651 2.880 19549 4133 1 16 . 1 1 25 25 VAL CB C 25 35.904 35.904 35.874 0.030 19549 4134 1 16 . 1 1 25 25 VAL H H 25 8.395 8.395 8.245 0.150 19549 4135 1 16 . 1 1 26 26 SER N N 26 121.285 121.285 117.432 3.853 19549 4136 1 16 . 1 1 26 26 SER HA H 26 4.603 4.603 4.631 -0.028 19549 4137 1 16 . 1 1 26 26 SER CA C 26 54.493 54.493 58.278 -3.785 19549 4138 1 16 . 1 1 26 26 SER CB C 26 63.660 63.660 63.776 -0.116 19549 4139 1 16 . 1 1 26 26 SER H H 26 8.572 8.572 8.766 -0.194 19549 4140 1 16 . 1 1 27 27 GLY N N 27 118.284 118.284 118.041 0.243 19549 4141 1 16 . 1 1 27 27 GLY CA C 27 47.497 47.497 46.230 1.267 19549 4142 1 16 . 1 1 27 27 GLY H H 27 9.023 9.023 8.669 0.354 19549 4143 1 16 . 1 1 28 28 GLN N N 28 124.451 124.451 123.071 1.380 19549 4144 1 16 . 1 1 28 28 GLN HA H 28 4.279 4.279 4.494 -0.215 19549 4145 1 16 . 1 1 28 28 GLN CA C 28 55.059 55.059 55.525 -0.466 19549 4146 1 16 . 1 1 28 28 GLN CB C 28 29.318 29.318 29.661 -0.343 19549 4147 1 16 . 1 1 28 28 GLN H H 28 8.677 8.677 8.498 0.179 19549 4148 1 16 . 1 1 29 29 GLN N N 29 117.498 117.498 120.773 -3.275 19549 4149 1 16 . 1 1 29 29 GLN HA H 29 4.634 4.634 4.407 0.227 19549 4150 1 16 . 1 1 29 29 GLN CA C 29 55.294 55.294 56.097 -0.803 19549 4151 1 16 . 1 1 29 29 GLN CB C 29 31.664 31.664 29.740 1.924 19549 4152 1 16 . 1 1 29 29 GLN H H 29 8.008 8.008 7.688 0.320 19549 4153 1 16 . 1 1 30 30 VAL N N 30 124.525 124.525 122.332 2.193 19549 4154 1 16 . 1 1 30 30 VAL HA H 30 4.529 4.529 4.500 0.029 19549 4155 1 16 . 1 1 30 30 VAL CA C 30 60.568 60.568 61.544 -0.976 19549 4156 1 16 . 1 1 30 30 VAL CB C 30 34.606 34.606 33.998 0.608 19549 4157 1 16 . 1 1 30 30 VAL H H 30 9.147 9.147 8.472 0.675 19549 4158 1 16 . 1 1 31 31 ARG N N 31 128.593 128.593 128.721 -0.128 19549 4159 1 16 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.482 0.155 19549 4160 1 16 . 1 1 31 31 ARG CA C 31 55.501 55.501 55.602 -0.101 19549 4161 1 16 . 1 1 31 31 ARG CB C 31 31.889 31.889 31.220 0.669 19549 4162 1 16 . 1 1 31 31 ARG H H 31 8.690 8.690 8.658 0.032 19549 4163 1 16 . 1 1 32 32 ILE N N 32 127.666 127.666 123.064 4.602 19549 4164 1 16 . 1 1 32 32 ILE HA H 32 4.613 4.613 4.931 -0.318 19549 4165 1 16 . 1 1 32 32 ILE CA C 32 59.838 59.838 59.429 0.409 19549 4166 1 16 . 1 1 32 32 ILE CB C 32 41.183 41.183 42.284 -1.101 19549 4167 1 16 . 1 1 32 32 ILE H H 32 9.114 9.114 8.377 0.737 19549 4168 1 16 . 1 1 33 33 GLY N N 33 112.830 112.830 111.155 1.675 19549 4169 1 16 . 1 1 33 33 GLY CA C 33 44.730 44.730 43.807 0.923 19549 4170 1 16 . 1 1 33 33 GLY H H 33 9.177 9.177 8.948 0.229 19549 4171 1 16 . 1 1 34 34 ILE N N 34 125.226 125.226 119.999 5.227 19549 4172 1 16 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.756 0.047 19549 4173 1 16 . 1 1 34 34 ILE CA C 34 61.001 61.001 60.420 0.581 19549 4174 1 16 . 1 1 34 34 ILE CB C 34 41.080 41.080 42.465 -1.385 19549 4175 1 16 . 1 1 34 34 ILE H H 34 9.637 9.637 8.191 1.446 19549 4176 1 16 . 1 1 35 35 ASN N N 35 129.590 129.590 124.253 5.337 19549 4177 1 16 . 1 1 35 35 ASN HA H 35 5.094 5.094 4.986 0.108 19549 4178 1 16 . 1 1 35 35 ASN CA C 35 52.185 52.185 52.681 -0.496 19549 4179 1 16 . 1 1 35 35 ASN CB C 35 40.108 40.108 40.791 -0.683 19549 4180 1 16 . 1 1 35 35 ASN H H 35 9.029 9.029 8.773 0.256 19549 4181 1 16 . 1 1 36 36 ALA N N 36 125.688 125.688 127.987 -2.299 19549 4182 1 16 . 1 1 36 36 ALA HA H 36 5.063 5.063 5.267 -0.204 19549 4183 1 16 . 1 1 36 36 ALA CA C 36 49.365 49.365 49.557 -0.192 19549 4184 1 16 . 1 1 36 36 ALA CB C 36 19.873 19.873 21.027 -1.154 19549 4185 1 16 . 1 1 36 36 ALA H H 36 8.208 8.208 8.159 0.049 19549 4186 1 16 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.558 -0.143 19549 4187 1 16 . 1 1 37 37 PRO CA C 37 62.916 62.916 62.204 0.712 19549 4188 1 16 . 1 1 37 37 PRO CB C 37 32.477 32.477 32.472 0.005 19549 4189 1 16 . 1 1 38 38 LYS N N 38 121.103 121.103 120.542 0.561 19549 4190 1 16 . 1 1 38 38 LYS HA H 38 3.825 3.825 4.125 -0.300 19549 4191 1 16 . 1 1 38 38 LYS CA C 38 58.927 58.927 57.641 1.286 19549 4192 1 16 . 1 1 38 38 LYS CB C 38 32.014 32.014 31.830 0.184 19549 4193 1 16 . 1 1 38 38 LYS H H 38 8.550 8.550 8.466 0.084 19549 4194 1 16 . 1 1 39 39 ASP N N 39 113.829 113.829 119.050 -5.221 19549 4195 1 16 . 1 1 39 39 ASP HA H 39 4.374 4.374 4.494 -0.120 19549 4196 1 16 . 1 1 39 39 ASP CA C 39 54.078 54.078 54.669 -0.591 19549 4197 1 16 . 1 1 39 39 ASP CB C 39 39.822 39.822 41.089 -1.267 19549 4198 1 16 . 1 1 39 39 ASP H H 39 8.143 8.143 8.281 -0.138 19549 4199 1 16 . 1 1 40 40 VAL N N 40 122.624 122.624 113.286 9.338 19549 4200 1 16 . 1 1 40 40 VAL HA H 40 3.980 3.980 4.529 -0.549 19549 4201 1 16 . 1 1 40 40 VAL CA C 40 62.040 62.040 59.840 2.200 19549 4202 1 16 . 1 1 40 40 VAL CB C 40 31.928 31.928 35.624 -3.696 19549 4203 1 16 . 1 1 40 40 VAL H H 40 8.020 8.020 7.326 0.694 19549 4204 1 16 . 1 1 41 41 ALA N N 41 133.718 133.718 123.802 9.916 19549 4205 1 16 . 1 1 41 41 ALA HA H 41 4.474 4.474 4.932 -0.458 19549 4206 1 16 . 1 1 41 41 ALA CA C 41 52.263 52.263 50.949 1.314 19549 4207 1 16 . 1 1 41 41 ALA CB C 41 19.155 19.155 20.190 -1.035 19549 4208 1 16 . 1 1 41 41 ALA H H 41 8.897 8.897 8.342 0.555 19549 4209 1 16 . 1 1 42 42 VAL N N 42 125.194 125.194 119.857 5.337 19549 4210 1 16 . 1 1 42 42 VAL HA H 42 4.434 4.434 4.322 0.113 19549 4211 1 16 . 1 1 42 42 VAL CA C 42 60.771 60.771 61.364 -0.593 19549 4212 1 16 . 1 1 42 42 VAL CB C 42 33.599 33.599 33.045 0.554 19549 4213 1 16 . 1 1 42 42 VAL H H 42 7.847 7.847 7.890 -0.043 19549 4214 1 16 . 1 1 43 43 HIS N N 43 118.938 118.938 123.655 -4.717 19549 4215 1 16 . 1 1 43 43 HIS HA H 43 5.566 5.566 4.873 0.693 19549 4216 1 16 . 1 1 43 43 HIS CA C 43 53.931 53.931 55.268 -1.337 19549 4217 1 16 . 1 1 43 43 HIS CB C 43 37.649 37.649 31.933 5.716 19549 4218 1 16 . 1 1 43 43 HIS H H 43 8.644 8.644 8.422 0.222 19549 4219 1 16 . 1 1 44 44 ARG N N 44 122.301 122.301 121.818 0.483 19549 4220 1 16 . 1 1 44 44 ARG HA H 44 3.970 3.970 4.325 -0.355 19549 4221 1 16 . 1 1 44 44 ARG CA C 44 58.580 58.580 56.194 2.386 19549 4222 1 16 . 1 1 44 44 ARG H H 44 8.828 8.828 8.643 0.185 19549 4223 1 16 . 1 1 45 45 GLU N N 45 126.010 126.010 123.198 2.812 19549 4224 1 16 . 1 1 45 45 GLU HA H 45 4.417 4.417 4.010 0.407 19549 4225 1 16 . 1 1 45 45 GLU CA C 45 59.945 59.945 59.621 0.324 19549 4226 1 16 . 1 1 45 45 GLU CB C 45 29.981 29.981 29.531 0.450 19549 4227 1 16 . 1 1 45 45 GLU H H 45 7.895 7.895 8.986 -1.091 19549 4228 1 16 . 1 1 46 46 GLU N N 46 118.177 118.177 119.056 -0.879 19549 4229 1 16 . 1 1 46 46 GLU HA H 46 4.269 4.269 4.149 0.120 19549 4230 1 16 . 1 1 46 46 GLU CA C 46 58.726 58.726 59.059 -0.333 19549 4231 1 16 . 1 1 46 46 GLU CB C 46 27.085 27.085 28.977 -1.891 19549 4232 1 16 . 1 1 46 46 GLU H H 46 10.765 10.765 8.711 2.054 19549 4233 1 16 . 1 1 47 47 ILE N N 47 122.543 122.543 119.364 3.179 19549 4234 1 16 . 1 1 47 47 ILE HA H 47 3.796 3.796 3.878 -0.082 19549 4235 1 16 . 1 1 47 47 ILE CA C 47 61.102 61.102 62.143 -1.041 19549 4236 1 16 . 1 1 47 47 ILE CB C 47 35.713 35.713 36.877 -1.164 19549 4237 1 16 . 1 1 47 47 ILE H H 47 7.197 7.197 7.437 -0.240 19549 4238 1 16 . 1 1 48 48 TYR N N 48 122.234 122.234 121.558 0.676 19549 4239 1 16 . 1 1 48 48 TYR HA H 48 3.655 3.655 4.003 -0.348 19549 4240 1 16 . 1 1 48 48 TYR CA C 48 62.312 62.312 61.614 0.698 19549 4241 1 16 . 1 1 48 48 TYR CB C 48 39.249 39.249 38.248 1.001 19549 4242 1 16 . 1 1 48 48 TYR H H 48 8.134 8.134 8.647 -0.513 19549 4243 1 16 . 1 1 49 49 GLN N N 49 115.293 115.293 116.282 -0.989 19549 4244 1 16 . 1 1 49 49 GLN HA H 49 3.856 3.856 4.000 -0.144 19549 4245 1 16 . 1 1 49 49 GLN CA C 49 58.599 58.599 58.191 0.409 19549 4246 1 16 . 1 1 49 49 GLN CB C 49 28.265 28.265 28.433 -0.169 19549 4247 1 16 . 1 1 49 49 GLN H H 49 8.658 8.658 7.736 0.922 19549 4248 1 16 . 1 1 50 50 ARG N N 50 120.188 120.188 118.640 1.548 19549 4249 1 16 . 1 1 50 50 ARG HA H 50 3.983 3.983 4.170 -0.187 19549 4250 1 16 . 1 1 50 50 ARG CA C 50 59.219 59.219 57.838 1.381 19549 4251 1 16 . 1 1 50 50 ARG CB C 50 30.367 30.367 29.853 0.514 19549 4252 1 16 . 1 1 50 50 ARG H H 50 7.135 7.135 7.958 -0.823 19549 4253 1 16 . 1 1 51 51 ILE N N 51 120.791 120.791 119.790 1.001 19549 4254 1 16 . 1 1 51 51 ILE HA H 51 3.628 3.628 3.818 -0.190 19549 4255 1 16 . 1 1 51 51 ILE CA C 51 64.528 64.528 63.044 1.484 19549 4256 1 16 . 1 1 51 51 ILE CB C 51 38.019 38.019 37.058 0.961 19549 4257 1 16 . 1 1 51 51 ILE H H 51 7.897 7.897 7.450 0.447 19549 4258 1 16 . 1 1 52 52 GLN N N 52 118.963 118.963 117.250 1.713 19549 4259 1 16 . 1 1 52 52 GLN HA H 52 3.808 3.808 4.366 -0.558 19549 4260 1 16 . 1 1 52 52 GLN CA C 52 57.546 57.546 55.735 1.811 19549 4261 1 16 . 1 1 52 52 GLN CB C 52 28.215 28.215 29.587 -1.372 19549 4262 1 16 . 1 1 52 52 GLN H H 52 7.915 7.915 7.769 0.146 19549 4263 1 16 . 1 1 53 53 ALA N N 53 120.242 120.242 120.004 0.238 19549 4264 1 16 . 1 1 53 53 ALA HA H 53 4.190 4.190 4.555 -0.365 19549 4265 1 16 . 1 1 53 53 ALA CA C 53 53.069 53.069 52.362 0.707 19549 4266 1 16 . 1 1 53 53 ALA CB C 53 18.757 18.757 20.744 -1.987 19549 4267 1 16 . 1 1 53 53 ALA H H 53 7.558 7.558 7.274 0.284 19549 4268 1 16 . 1 1 54 54 GLY N N 54 105.982 105.982 107.868 -1.886 19549 4269 1 16 . 1 1 54 54 GLY CA C 54 45.670 45.670 45.124 0.546 19549 4270 1 16 . 1 1 54 54 GLY H H 54 7.714 7.714 7.979 -0.265 19549 4271 1 16 . 1 1 55 55 LEU N N 55 120.632 120.632 121.700 -1.068 19549 4272 1 16 . 1 1 55 55 LEU HA H 55 4.320 4.320 4.281 0.039 19549 4273 1 16 . 1 1 55 55 LEU CA C 55 55.352 55.352 56.032 -0.680 19549 4274 1 16 . 1 1 55 55 LEU CB C 55 42.303 42.303 42.222 0.081 19549 4275 1 16 . 1 1 55 55 LEU H H 55 7.725 7.725 8.081 -0.356 19549 4276 1 16 . 1 1 56 56 THR N N 56 113.330 113.330 112.362 0.968 19549 4277 1 16 . 1 1 56 56 THR HA H 56 4.258 4.258 4.326 -0.068 19549 4278 1 16 . 1 1 56 56 THR CA C 56 61.410 61.410 62.045 -0.635 19549 4279 1 16 . 1 1 56 56 THR CB C 56 70.101 70.101 69.520 0.581 19549 4280 1 16 . 1 1 56 56 THR H H 56 7.902 7.902 8.447 -0.545 19549 4281 1 16 . 1 1 57 57 ALA N N 57 127.054 127.054 124.559 2.495 19549 4282 1 16 . 1 1 57 57 ALA HA H 57 4.475 4.475 4.622 -0.147 19549 4283 1 16 . 1 1 57 57 ALA CA C 57 50.560 50.560 50.951 -0.391 19549 4284 1 16 . 1 1 57 57 ALA CB C 57 18.502 18.502 19.108 -0.605 19549 4285 1 16 . 1 1 57 57 ALA H H 57 8.050 8.050 7.648 0.402 19549 4286 1 16 . 1 1 58 58 PRO HA H 58 4.269 4.269 4.211 0.058 19549 4287 1 16 . 1 1 58 58 PRO CA C 58 63.723 63.723 64.714 -0.991 19549 4288 1 16 . 1 1 58 58 PRO CB C 58 31.907 31.907 32.133 -0.227 19549 4289 1 17 . 1 1 2 2 LEU N N 2 124.131 124.131 125.700 -1.569 19549 4290 1 17 . 1 1 2 2 LEU HA H 2 4.628 4.628 5.139 -0.511 19549 4291 1 17 . 1 1 2 2 LEU CA C 2 54.587 54.587 53.901 0.687 19549 4292 1 17 . 1 1 2 2 LEU CB C 2 42.584 42.584 44.961 -2.377 19549 4293 1 17 . 1 1 2 2 LEU H H 2 8.398 8.398 8.908 -0.510 19549 4294 1 17 . 1 1 3 3 ILE N N 3 130.553 130.553 122.366 8.187 19549 4295 1 17 . 1 1 3 3 ILE HA H 3 5.008 5.008 4.425 0.583 19549 4296 1 17 . 1 1 3 3 ILE CA C 3 60.327 60.327 61.154 -0.827 19549 4297 1 17 . 1 1 3 3 ILE CB C 3 38.133 38.133 39.342 -1.209 19549 4298 1 17 . 1 1 3 3 ILE H H 3 10.460 10.460 8.465 1.995 19549 4299 1 17 . 1 1 4 4 LEU N N 4 125.358 125.358 124.362 0.996 19549 4300 1 17 . 1 1 4 4 LEU HA H 4 4.963 4.963 4.738 0.225 19549 4301 1 17 . 1 1 4 4 LEU CA C 4 52.865 52.865 54.145 -1.280 19549 4302 1 17 . 1 1 4 4 LEU CB C 4 46.677 46.677 44.725 1.952 19549 4303 1 17 . 1 1 4 4 LEU H H 4 8.905 8.905 8.336 0.569 19549 4304 1 17 . 1 1 5 5 THR N N 5 116.751 116.751 117.370 -0.619 19549 4305 1 17 . 1 1 5 5 THR HA H 5 5.488 5.488 4.599 0.889 19549 4306 1 17 . 1 1 5 5 THR CA C 5 60.717 60.717 61.779 -1.062 19549 4307 1 17 . 1 1 5 5 THR CB C 5 69.781 69.781 69.043 0.738 19549 4308 1 17 . 1 1 5 5 THR H H 5 9.479 9.479 8.265 1.214 19549 4309 1 17 . 1 1 6 6 ARG N N 6 124.665 124.665 127.615 -2.950 19549 4310 1 17 . 1 1 6 6 ARG HA H 6 4.989 4.989 4.559 0.430 19549 4311 1 17 . 1 1 6 6 ARG CA C 6 55.266 55.266 55.519 -0.253 19549 4312 1 17 . 1 1 6 6 ARG CB C 6 38.593 38.593 32.529 6.064 19549 4313 1 17 . 1 1 6 6 ARG H H 6 9.293 9.293 8.465 0.828 19549 4314 1 17 . 1 1 7 7 LYS N N 7 123.257 123.257 123.035 0.222 19549 4315 1 17 . 1 1 7 7 LYS HA H 7 5.102 5.102 4.658 0.444 19549 4316 1 17 . 1 1 7 7 LYS CA C 7 54.238 54.238 54.831 -0.593 19549 4317 1 17 . 1 1 7 7 LYS CB C 7 34.302 34.302 34.520 -0.218 19549 4318 1 17 . 1 1 7 7 LYS H H 7 9.412 9.412 9.218 0.194 19549 4319 1 17 . 1 1 8 8 VAL N N 8 118.052 118.052 118.369 -0.317 19549 4320 1 17 . 1 1 8 8 VAL HA H 8 3.277 3.277 4.032 -0.755 19549 4321 1 17 . 1 1 8 8 VAL CA C 8 65.940 65.940 63.416 2.524 19549 4322 1 17 . 1 1 8 8 VAL CB C 8 31.648 31.648 30.654 0.994 19549 4323 1 17 . 1 1 8 8 VAL H H 8 7.480 7.480 8.296 -0.816 19549 4324 1 17 . 1 1 9 9 GLY N N 9 115.983 115.983 115.896 0.087 19549 4325 1 17 . 1 1 9 9 GLY CA C 9 44.555 44.555 44.934 -0.379 19549 4326 1 17 . 1 1 9 9 GLY H H 9 9.192 9.192 9.168 0.024 19549 4327 1 17 . 1 1 10 10 GLU N N 10 119.194 119.194 120.003 -0.809 19549 4328 1 17 . 1 1 10 10 GLU HA H 10 4.886 4.886 4.753 0.133 19549 4329 1 17 . 1 1 10 10 GLU CA C 10 55.870 55.870 54.525 1.345 19549 4330 1 17 . 1 1 10 10 GLU CB C 10 33.038 33.038 32.276 0.761 19549 4331 1 17 . 1 1 10 10 GLU H H 10 8.294 8.294 7.825 0.469 19549 4332 1 17 . 1 1 11 11 SER N N 11 112.576 112.576 112.871 -0.295 19549 4333 1 17 . 1 1 11 11 SER HA H 11 5.875 5.875 5.258 0.617 19549 4334 1 17 . 1 1 11 11 SER CA C 11 58.033 58.033 57.148 0.885 19549 4335 1 17 . 1 1 11 11 SER CB C 11 67.006 67.006 66.120 0.886 19549 4336 1 17 . 1 1 11 11 SER H H 11 8.651 8.651 8.320 0.331 19549 4337 1 17 . 1 1 12 12 ILE N N 12 124.514 124.514 120.353 4.161 19549 4338 1 17 . 1 1 12 12 ILE HA H 12 4.383 4.383 4.552 -0.169 19549 4339 1 17 . 1 1 12 12 ILE CA C 12 60.041 60.041 59.229 0.812 19549 4340 1 17 . 1 1 12 12 ILE CB C 12 42.818 42.818 42.354 0.464 19549 4341 1 17 . 1 1 12 12 ILE H H 12 9.266 9.266 8.901 0.365 19549 4342 1 17 . 1 1 13 13 ASN N N 13 126.280 126.280 119.982 6.298 19549 4343 1 17 . 1 1 13 13 ASN HA H 13 4.991 4.991 5.034 -0.043 19549 4344 1 17 . 1 1 13 13 ASN CA C 13 53.546 53.546 52.593 0.953 19549 4345 1 17 . 1 1 13 13 ASN CB C 13 41.558 41.558 41.908 -0.350 19549 4346 1 17 . 1 1 13 13 ASN H H 13 9.360 9.360 8.475 0.885 19549 4347 1 17 . 1 1 14 14 ILE N N 14 123.986 123.986 120.531 3.455 19549 4348 1 17 . 1 1 14 14 ILE HA H 14 4.439 4.439 4.485 -0.046 19549 4349 1 17 . 1 1 14 14 ILE CA C 14 60.646 60.646 60.581 0.065 19549 4350 1 17 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.712 -3.203 19549 4351 1 17 . 1 1 14 14 ILE H H 14 8.425 8.425 8.398 0.027 19549 4352 1 17 . 1 1 15 15 GLY N N 15 115.388 115.388 112.707 2.681 19549 4353 1 17 . 1 1 15 15 GLY CA C 15 46.004 46.004 46.254 -0.250 19549 4354 1 17 . 1 1 15 15 GLY H H 15 9.067 9.067 8.592 0.475 19549 4355 1 17 . 1 1 16 16 ASP N N 16 120.794 120.794 120.924 -0.130 19549 4356 1 17 . 1 1 16 16 ASP HA H 16 4.958 4.958 4.690 0.268 19549 4357 1 17 . 1 1 16 16 ASP CA C 16 55.353 55.353 54.133 1.220 19549 4358 1 17 . 1 1 16 16 ASP CB C 16 42.388 42.388 41.426 0.962 19549 4359 1 17 . 1 1 16 16 ASP H H 16 8.760 8.760 8.345 0.415 19549 4360 1 17 . 1 1 17 17 ASP N N 17 115.630 115.630 119.886 -4.256 19549 4361 1 17 . 1 1 17 17 ASP HA H 17 4.748 4.748 4.864 -0.116 19549 4362 1 17 . 1 1 17 17 ASP CA C 17 54.200 54.200 53.932 0.268 19549 4363 1 17 . 1 1 17 17 ASP CB C 17 42.610 42.610 43.830 -1.220 19549 4364 1 17 . 1 1 17 17 ASP H H 17 8.159 8.159 7.964 0.195 19549 4365 1 17 . 1 1 18 18 ILE N N 18 118.662 118.662 120.106 -1.444 19549 4366 1 17 . 1 1 18 18 ILE HA H 18 5.229 5.229 5.239 -0.010 19549 4367 1 17 . 1 1 18 18 ILE CA C 18 60.093 60.093 60.285 -0.192 19549 4368 1 17 . 1 1 18 18 ILE CB C 18 39.842 39.842 42.024 -2.182 19549 4369 1 17 . 1 1 18 18 ILE H H 18 7.168 7.168 7.659 -0.491 19549 4370 1 17 . 1 1 19 19 THR N N 19 122.951 122.951 121.183 1.768 19549 4371 1 17 . 1 1 19 19 THR HA H 19 5.125 5.125 4.980 0.145 19549 4372 1 17 . 1 1 19 19 THR CA C 19 60.957 60.957 61.708 -0.751 19549 4373 1 17 . 1 1 19 19 THR CB C 19 71.814 71.814 72.565 -0.751 19549 4374 1 17 . 1 1 19 19 THR H H 19 8.929 8.929 8.845 0.084 19549 4375 1 17 . 1 1 20 20 ILE N N 20 123.522 123.522 122.021 1.501 19549 4376 1 17 . 1 1 20 20 ILE HA H 20 4.929 4.929 4.905 0.024 19549 4377 1 17 . 1 1 20 20 ILE CA C 20 58.829 58.829 59.173 -0.344 19549 4378 1 17 . 1 1 20 20 ILE CB C 20 40.386 40.386 42.056 -1.670 19549 4379 1 17 . 1 1 20 20 ILE H H 20 8.933 8.933 9.098 -0.165 19549 4380 1 17 . 1 1 21 21 THR N N 21 123.651 123.651 119.505 4.146 19549 4381 1 17 . 1 1 21 21 THR HA H 21 4.830 4.830 5.033 -0.203 19549 4382 1 17 . 1 1 21 21 THR CA C 21 61.581 61.581 61.259 0.322 19549 4383 1 17 . 1 1 21 21 THR CB C 21 72.037 72.037 72.466 -0.429 19549 4384 1 17 . 1 1 21 21 THR H H 21 9.395 9.395 8.979 0.416 19549 4385 1 17 . 1 1 22 22 ILE N N 22 125.699 125.699 126.134 -0.435 19549 4386 1 17 . 1 1 22 22 ILE HA H 22 4.061 4.061 4.593 -0.532 19549 4387 1 17 . 1 1 22 22 ILE CA C 22 59.160 59.160 58.473 0.687 19549 4388 1 17 . 1 1 22 22 ILE CB C 22 33.845 33.845 38.184 -4.339 19549 4389 1 17 . 1 1 22 22 ILE H H 22 8.108 8.108 8.330 -0.222 19549 4390 1 17 . 1 1 23 23 LEU N N 23 129.578 129.578 128.051 1.527 19549 4391 1 17 . 1 1 23 23 LEU HA H 23 4.594 4.594 4.287 0.307 19549 4392 1 17 . 1 1 23 23 LEU CA C 23 56.030 56.030 56.390 -0.360 19549 4393 1 17 . 1 1 23 23 LEU CB C 23 42.217 42.217 41.670 0.547 19549 4394 1 17 . 1 1 23 23 LEU H H 23 8.756 8.756 8.375 0.381 19549 4395 1 17 . 1 1 24 24 GLY N N 24 104.272 104.272 104.442 -0.170 19549 4396 1 17 . 1 1 24 24 GLY CA C 24 45.970 45.970 44.964 1.006 19549 4397 1 17 . 1 1 24 24 GLY H H 24 7.514 7.514 7.571 -0.057 19549 4398 1 17 . 1 1 25 25 VAL N N 25 120.134 120.134 115.856 4.278 19549 4399 1 17 . 1 1 25 25 VAL HA H 25 4.647 4.647 5.023 -0.376 19549 4400 1 17 . 1 1 25 25 VAL CA C 25 61.531 61.531 58.707 2.824 19549 4401 1 17 . 1 1 25 25 VAL CB C 25 35.904 35.904 36.217 -0.313 19549 4402 1 17 . 1 1 25 25 VAL H H 25 8.395 8.395 8.282 0.113 19549 4403 1 17 . 1 1 26 26 SER N N 26 121.285 121.285 118.350 2.935 19549 4404 1 17 . 1 1 26 26 SER HA H 26 4.603 4.603 4.710 -0.107 19549 4405 1 17 . 1 1 26 26 SER CA C 26 54.493 54.493 57.880 -3.387 19549 4406 1 17 . 1 1 26 26 SER CB C 26 63.660 63.660 63.616 0.044 19549 4407 1 17 . 1 1 26 26 SER H H 26 8.572 8.572 8.759 -0.187 19549 4408 1 17 . 1 1 27 27 GLY N N 27 118.284 118.284 117.383 0.901 19549 4409 1 17 . 1 1 27 27 GLY CA C 27 47.497 47.497 46.465 1.032 19549 4410 1 17 . 1 1 27 27 GLY H H 27 9.023 9.023 8.679 0.344 19549 4411 1 17 . 1 1 28 28 GLN N N 28 124.451 124.451 123.275 1.176 19549 4412 1 17 . 1 1 28 28 GLN HA H 28 4.279 4.279 4.497 -0.218 19549 4413 1 17 . 1 1 28 28 GLN CA C 28 55.059 55.059 55.552 -0.493 19549 4414 1 17 . 1 1 28 28 GLN CB C 28 29.318 29.318 29.599 -0.281 19549 4415 1 17 . 1 1 28 28 GLN H H 28 8.677 8.677 8.494 0.183 19549 4416 1 17 . 1 1 29 29 GLN N N 29 117.498 117.498 120.730 -3.232 19549 4417 1 17 . 1 1 29 29 GLN HA H 29 4.634 4.634 4.406 0.228 19549 4418 1 17 . 1 1 29 29 GLN CA C 29 55.294 55.294 56.263 -0.969 19549 4419 1 17 . 1 1 29 29 GLN CB C 29 31.664 31.664 29.987 1.677 19549 4420 1 17 . 1 1 29 29 GLN H H 29 8.008 8.008 7.811 0.197 19549 4421 1 17 . 1 1 30 30 VAL N N 30 124.525 124.525 122.789 1.736 19549 4422 1 17 . 1 1 30 30 VAL HA H 30 4.529 4.529 4.522 0.007 19549 4423 1 17 . 1 1 30 30 VAL CA C 30 60.568 60.568 61.214 -0.646 19549 4424 1 17 . 1 1 30 30 VAL CB C 30 34.606 34.606 33.729 0.877 19549 4425 1 17 . 1 1 30 30 VAL H H 30 9.147 9.147 8.425 0.722 19549 4426 1 17 . 1 1 31 31 ARG N N 31 128.593 128.593 128.328 0.265 19549 4427 1 17 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.599 0.038 19549 4428 1 17 . 1 1 31 31 ARG CA C 31 55.501 55.501 54.583 0.918 19549 4429 1 17 . 1 1 31 31 ARG CB C 31 31.889 31.889 30.491 1.398 19549 4430 1 17 . 1 1 31 31 ARG H H 31 8.690 8.690 8.739 -0.049 19549 4431 1 17 . 1 1 32 32 ILE N N 32 127.666 127.666 123.655 4.011 19549 4432 1 17 . 1 1 32 32 ILE HA H 32 4.613 4.613 4.707 -0.094 19549 4433 1 17 . 1 1 32 32 ILE CA C 32 59.838 59.838 59.577 0.261 19549 4434 1 17 . 1 1 32 32 ILE CB C 32 41.183 41.183 41.930 -0.747 19549 4435 1 17 . 1 1 32 32 ILE H H 32 9.114 9.114 8.438 0.676 19549 4436 1 17 . 1 1 33 33 GLY N N 33 112.830 112.830 112.019 0.811 19549 4437 1 17 . 1 1 33 33 GLY CA C 33 44.730 44.730 43.677 1.053 19549 4438 1 17 . 1 1 33 33 GLY H H 33 9.177 9.177 8.915 0.262 19549 4439 1 17 . 1 1 34 34 ILE N N 34 125.226 125.226 120.078 5.148 19549 4440 1 17 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.700 0.103 19549 4441 1 17 . 1 1 34 34 ILE CA C 34 61.001 61.001 60.451 0.550 19549 4442 1 17 . 1 1 34 34 ILE CB C 34 41.080 41.080 42.521 -1.441 19549 4443 1 17 . 1 1 34 34 ILE H H 34 9.637 9.637 8.191 1.446 19549 4444 1 17 . 1 1 35 35 ASN N N 35 129.590 129.590 124.098 5.492 19549 4445 1 17 . 1 1 35 35 ASN HA H 35 5.094 5.094 4.986 0.108 19549 4446 1 17 . 1 1 35 35 ASN CA C 35 52.185 52.185 52.671 -0.486 19549 4447 1 17 . 1 1 35 35 ASN CB C 35 40.108 40.108 40.915 -0.807 19549 4448 1 17 . 1 1 35 35 ASN H H 35 9.029 9.029 8.857 0.172 19549 4449 1 17 . 1 1 36 36 ALA N N 36 125.688 125.688 128.074 -2.386 19549 4450 1 17 . 1 1 36 36 ALA HA H 36 5.063 5.063 5.205 -0.142 19549 4451 1 17 . 1 1 36 36 ALA CA C 36 49.365 49.365 49.559 -0.195 19549 4452 1 17 . 1 1 36 36 ALA CB C 36 19.873 19.873 21.040 -1.167 19549 4453 1 17 . 1 1 36 36 ALA H H 36 8.208 8.208 8.169 0.039 19549 4454 1 17 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.580 -0.165 19549 4455 1 17 . 1 1 37 37 PRO CA C 37 62.916 62.916 62.243 0.673 19549 4456 1 17 . 1 1 37 37 PRO CB C 37 32.477 32.477 32.265 0.212 19549 4457 1 17 . 1 1 38 38 LYS N N 38 121.103 121.103 120.503 0.600 19549 4458 1 17 . 1 1 38 38 LYS HA H 38 3.825 3.825 4.164 -0.339 19549 4459 1 17 . 1 1 38 38 LYS CA C 38 58.927 58.927 57.592 1.335 19549 4460 1 17 . 1 1 38 38 LYS CB C 38 32.014 32.014 31.866 0.148 19549 4461 1 17 . 1 1 38 38 LYS H H 38 8.550 8.550 8.538 0.012 19549 4462 1 17 . 1 1 39 39 ASP N N 39 113.829 113.829 119.161 -5.332 19549 4463 1 17 . 1 1 39 39 ASP HA H 39 4.374 4.374 4.499 -0.125 19549 4464 1 17 . 1 1 39 39 ASP CA C 39 54.078 54.078 55.081 -1.004 19549 4465 1 17 . 1 1 39 39 ASP CB C 39 39.822 39.822 40.931 -1.109 19549 4466 1 17 . 1 1 39 39 ASP H H 39 8.143 8.143 8.417 -0.274 19549 4467 1 17 . 1 1 40 40 VAL N N 40 122.624 122.624 114.857 7.767 19549 4468 1 17 . 1 1 40 40 VAL HA H 40 3.980 3.980 4.447 -0.467 19549 4469 1 17 . 1 1 40 40 VAL CA C 40 62.040 62.040 59.740 2.300 19549 4470 1 17 . 1 1 40 40 VAL CB C 40 31.928 31.928 35.011 -3.083 19549 4471 1 17 . 1 1 40 40 VAL H H 40 8.020 8.020 7.464 0.556 19549 4472 1 17 . 1 1 41 41 ALA N N 41 133.718 133.718 124.933 8.785 19549 4473 1 17 . 1 1 41 41 ALA HA H 41 4.474 4.474 4.889 -0.415 19549 4474 1 17 . 1 1 41 41 ALA CA C 41 52.263 52.263 51.098 1.165 19549 4475 1 17 . 1 1 41 41 ALA CB C 41 19.155 19.155 20.211 -1.056 19549 4476 1 17 . 1 1 41 41 ALA H H 41 8.897 8.897 8.261 0.636 19549 4477 1 17 . 1 1 42 42 VAL N N 42 125.194 125.194 120.495 4.699 19549 4478 1 17 . 1 1 42 42 VAL HA H 42 4.434 4.434 4.256 0.178 19549 4479 1 17 . 1 1 42 42 VAL CA C 42 60.771 60.771 61.574 -0.803 19549 4480 1 17 . 1 1 42 42 VAL CB C 42 33.599 33.599 32.564 1.035 19549 4481 1 17 . 1 1 42 42 VAL H H 42 7.847 7.847 7.641 0.206 19549 4482 1 17 . 1 1 43 43 HIS N N 43 118.938 118.938 124.358 -5.420 19549 4483 1 17 . 1 1 43 43 HIS HA H 43 5.566 5.566 4.830 0.736 19549 4484 1 17 . 1 1 43 43 HIS CA C 43 53.931 53.931 55.078 -1.147 19549 4485 1 17 . 1 1 43 43 HIS CB C 43 37.649 37.649 31.622 6.027 19549 4486 1 17 . 1 1 43 43 HIS H H 43 8.644 8.644 8.225 0.419 19549 4487 1 17 . 1 1 44 44 ARG N N 44 122.301 122.301 121.082 1.219 19549 4488 1 17 . 1 1 44 44 ARG HA H 44 3.970 3.970 4.290 -0.320 19549 4489 1 17 . 1 1 44 44 ARG CA C 44 58.580 58.580 56.028 2.552 19549 4490 1 17 . 1 1 44 44 ARG H H 44 8.828 8.828 8.684 0.144 19549 4491 1 17 . 1 1 45 45 GLU N N 45 126.010 126.010 122.195 3.815 19549 4492 1 17 . 1 1 45 45 GLU HA H 45 4.417 4.417 4.090 0.327 19549 4493 1 17 . 1 1 45 45 GLU CA C 45 59.945 59.945 58.884 1.061 19549 4494 1 17 . 1 1 45 45 GLU CB C 45 29.981 29.981 29.268 0.713 19549 4495 1 17 . 1 1 45 45 GLU H H 45 7.895 7.895 8.902 -1.007 19549 4496 1 17 . 1 1 46 46 GLU N N 46 118.177 118.177 118.776 -0.599 19549 4497 1 17 . 1 1 46 46 GLU HA H 46 4.269 4.269 4.158 0.111 19549 4498 1 17 . 1 1 46 46 GLU CA C 46 58.726 58.726 59.242 -0.516 19549 4499 1 17 . 1 1 46 46 GLU CB C 46 27.085 27.085 29.409 -2.324 19549 4500 1 17 . 1 1 46 46 GLU H H 46 10.765 10.765 8.571 2.194 19549 4501 1 17 . 1 1 47 47 ILE N N 47 122.543 122.543 119.857 2.686 19549 4502 1 17 . 1 1 47 47 ILE HA H 47 3.796 3.796 3.850 -0.054 19549 4503 1 17 . 1 1 47 47 ILE CA C 47 61.102 61.102 63.085 -1.983 19549 4504 1 17 . 1 1 47 47 ILE CB C 47 35.713 35.713 37.870 -2.157 19549 4505 1 17 . 1 1 47 47 ILE H H 47 7.197 7.197 7.515 -0.318 19549 4506 1 17 . 1 1 48 48 TYR N N 48 122.234 122.234 121.432 0.802 19549 4507 1 17 . 1 1 48 48 TYR HA H 48 3.655 3.655 3.992 -0.337 19549 4508 1 17 . 1 1 48 48 TYR CA C 48 62.312 62.312 62.012 0.300 19549 4509 1 17 . 1 1 48 48 TYR CB C 48 39.249 39.249 38.324 0.925 19549 4510 1 17 . 1 1 48 48 TYR H H 48 8.134 8.134 8.441 -0.307 19549 4511 1 17 . 1 1 49 49 GLN N N 49 115.293 115.293 116.010 -0.717 19549 4512 1 17 . 1 1 49 49 GLN HA H 49 3.856 3.856 4.094 -0.238 19549 4513 1 17 . 1 1 49 49 GLN CA C 49 58.599 58.599 58.053 0.546 19549 4514 1 17 . 1 1 49 49 GLN CB C 49 28.265 28.265 28.486 -0.221 19549 4515 1 17 . 1 1 49 49 GLN H H 49 8.658 8.658 7.843 0.815 19549 4516 1 17 . 1 1 50 50 ARG N N 50 120.188 120.188 116.947 3.241 19549 4517 1 17 . 1 1 50 50 ARG HA H 50 3.983 3.983 4.163 -0.180 19549 4518 1 17 . 1 1 50 50 ARG CA C 50 59.219 59.219 57.474 1.745 19549 4519 1 17 . 1 1 50 50 ARG CB C 50 30.367 30.367 30.165 0.202 19549 4520 1 17 . 1 1 50 50 ARG H H 50 7.135 7.135 7.576 -0.441 19549 4521 1 17 . 1 1 51 51 ILE N N 51 120.791 120.791 118.304 2.487 19549 4522 1 17 . 1 1 51 51 ILE HA H 51 3.628 3.628 3.909 -0.281 19549 4523 1 17 . 1 1 51 51 ILE CA C 51 64.528 64.528 63.080 1.448 19549 4524 1 17 . 1 1 51 51 ILE CB C 51 38.019 38.019 38.584 -0.564 19549 4525 1 17 . 1 1 51 51 ILE H H 51 7.897 7.897 7.183 0.714 19549 4526 1 17 . 1 1 52 52 GLN N N 52 118.963 118.963 118.558 0.405 19549 4527 1 17 . 1 1 52 52 GLN HA H 52 3.808 3.808 3.988 -0.180 19549 4528 1 17 . 1 1 52 52 GLN CA C 52 57.546 57.546 56.260 1.286 19549 4529 1 17 . 1 1 52 52 GLN CB C 52 28.215 28.215 27.434 0.781 19549 4530 1 17 . 1 1 52 52 GLN H H 52 7.915 7.915 7.814 0.101 19549 4531 1 17 . 1 1 53 53 ALA N N 53 120.242 120.242 120.568 -0.326 19549 4532 1 17 . 1 1 53 53 ALA HA H 53 4.190 4.190 4.186 0.004 19549 4533 1 17 . 1 1 53 53 ALA CA C 53 53.069 53.069 52.883 0.186 19549 4534 1 17 . 1 1 53 53 ALA CB C 53 18.757 18.757 18.837 -0.080 19549 4535 1 17 . 1 1 53 53 ALA H H 53 7.558 7.558 7.691 -0.133 19549 4536 1 17 . 1 1 54 54 GLY N N 54 105.982 105.982 104.356 1.626 19549 4537 1 17 . 1 1 54 54 GLY CA C 54 45.670 45.670 44.932 0.738 19549 4538 1 17 . 1 1 54 54 GLY H H 54 7.714 7.714 7.742 -0.028 19549 4539 1 17 . 1 1 55 55 LEU N N 55 120.632 120.632 116.815 3.817 19549 4540 1 17 . 1 1 55 55 LEU HA H 55 4.320 4.320 5.015 -0.695 19549 4541 1 17 . 1 1 55 55 LEU CA C 55 55.352 55.352 53.727 1.625 19549 4542 1 17 . 1 1 55 55 LEU CB C 55 42.303 42.303 42.966 -0.663 19549 4543 1 17 . 1 1 55 55 LEU H H 55 7.725 7.725 7.850 -0.125 19549 4544 1 17 . 1 1 56 56 THR N N 56 113.330 113.330 112.942 0.388 19549 4545 1 17 . 1 1 56 56 THR HA H 56 4.258 4.258 4.467 -0.209 19549 4546 1 17 . 1 1 56 56 THR CA C 56 61.410 61.410 62.225 -0.815 19549 4547 1 17 . 1 1 56 56 THR CB C 56 70.101 70.101 69.421 0.679 19549 4548 1 17 . 1 1 56 56 THR H H 56 7.902 7.902 8.323 -0.421 19549 4549 1 17 . 1 1 57 57 ALA N N 57 127.054 127.054 124.497 2.557 19549 4550 1 17 . 1 1 57 57 ALA HA H 57 4.475 4.475 4.739 -0.264 19549 4551 1 17 . 1 1 57 57 ALA CA C 57 50.560 50.560 50.942 -0.382 19549 4552 1 17 . 1 1 57 57 ALA CB C 57 18.502 18.502 19.269 -0.767 19549 4553 1 17 . 1 1 57 57 ALA H H 57 8.050 8.050 7.890 0.160 19549 4554 1 17 . 1 1 58 58 PRO HA H 58 4.269 4.269 4.382 -0.113 19549 4555 1 17 . 1 1 58 58 PRO CA C 58 63.723 63.723 63.446 0.277 19549 4556 1 17 . 1 1 58 58 PRO CB C 58 31.907 31.907 32.298 -0.391 19549 4557 1 18 . 1 1 2 2 LEU N N 2 124.131 124.131 125.269 -1.138 19549 4558 1 18 . 1 1 2 2 LEU HA H 2 4.628 4.628 5.137 -0.509 19549 4559 1 18 . 1 1 2 2 LEU CA C 2 54.587 54.587 53.863 0.724 19549 4560 1 18 . 1 1 2 2 LEU CB C 2 42.584 42.584 45.008 -2.424 19549 4561 1 18 . 1 1 2 2 LEU H H 2 8.398 8.398 8.917 -0.519 19549 4562 1 18 . 1 1 3 3 ILE N N 3 130.553 130.553 121.998 8.555 19549 4563 1 18 . 1 1 3 3 ILE HA H 3 5.008 5.008 4.404 0.604 19549 4564 1 18 . 1 1 3 3 ILE CA C 3 60.327 60.327 61.176 -0.849 19549 4565 1 18 . 1 1 3 3 ILE CB C 3 38.133 38.133 39.395 -1.262 19549 4566 1 18 . 1 1 3 3 ILE H H 3 10.460 10.460 8.449 2.011 19549 4567 1 18 . 1 1 4 4 LEU N N 4 125.358 125.358 124.666 0.692 19549 4568 1 18 . 1 1 4 4 LEU HA H 4 4.963 4.963 4.713 0.250 19549 4569 1 18 . 1 1 4 4 LEU CA C 4 52.865 52.865 54.090 -1.225 19549 4570 1 18 . 1 1 4 4 LEU CB C 4 46.677 46.677 44.516 2.162 19549 4571 1 18 . 1 1 4 4 LEU H H 4 8.905 8.905 8.273 0.632 19549 4572 1 18 . 1 1 5 5 THR N N 5 116.751 116.751 117.024 -0.273 19549 4573 1 18 . 1 1 5 5 THR HA H 5 5.488 5.488 4.611 0.877 19549 4574 1 18 . 1 1 5 5 THR CA C 5 60.717 60.717 61.900 -1.183 19549 4575 1 18 . 1 1 5 5 THR CB C 5 69.781 69.781 69.444 0.337 19549 4576 1 18 . 1 1 5 5 THR H H 5 9.479 9.479 8.241 1.238 19549 4577 1 18 . 1 1 6 6 ARG N N 6 124.665 124.665 124.953 -0.288 19549 4578 1 18 . 1 1 6 6 ARG HA H 6 4.989 4.989 4.689 0.300 19549 4579 1 18 . 1 1 6 6 ARG CA C 6 55.266 55.266 55.056 0.210 19549 4580 1 18 . 1 1 6 6 ARG CB C 6 38.593 38.593 32.429 6.164 19549 4581 1 18 . 1 1 6 6 ARG H H 6 9.293 9.293 8.391 0.902 19549 4582 1 18 . 1 1 7 7 LYS N N 7 123.257 123.257 120.402 2.855 19549 4583 1 18 . 1 1 7 7 LYS HA H 7 5.102 5.102 4.651 0.451 19549 4584 1 18 . 1 1 7 7 LYS CA C 7 54.238 54.238 55.107 -0.869 19549 4585 1 18 . 1 1 7 7 LYS CB C 7 34.302 34.302 34.965 -0.663 19549 4586 1 18 . 1 1 7 7 LYS H H 7 9.412 9.412 9.022 0.390 19549 4587 1 18 . 1 1 8 8 VAL N N 8 118.052 118.052 118.472 -0.420 19549 4588 1 18 . 1 1 8 8 VAL HA H 8 3.277 3.277 3.957 -0.680 19549 4589 1 18 . 1 1 8 8 VAL CA C 8 65.940 65.940 63.112 2.828 19549 4590 1 18 . 1 1 8 8 VAL CB C 8 31.648 31.648 31.125 0.523 19549 4591 1 18 . 1 1 8 8 VAL H H 8 7.480 7.480 8.284 -0.804 19549 4592 1 18 . 1 1 9 9 GLY N N 9 115.983 115.983 114.987 0.996 19549 4593 1 18 . 1 1 9 9 GLY CA C 9 44.555 44.555 44.845 -0.290 19549 4594 1 18 . 1 1 9 9 GLY H H 9 9.192 9.192 9.145 0.047 19549 4595 1 18 . 1 1 10 10 GLU N N 10 119.194 119.194 120.106 -0.912 19549 4596 1 18 . 1 1 10 10 GLU HA H 10 4.886 4.886 4.757 0.129 19549 4597 1 18 . 1 1 10 10 GLU CA C 10 55.870 55.870 54.656 1.214 19549 4598 1 18 . 1 1 10 10 GLU CB C 10 33.038 33.038 32.373 0.665 19549 4599 1 18 . 1 1 10 10 GLU H H 10 8.294 8.294 7.870 0.424 19549 4600 1 18 . 1 1 11 11 SER N N 11 112.576 112.576 113.328 -0.752 19549 4601 1 18 . 1 1 11 11 SER HA H 11 5.875 5.875 5.323 0.552 19549 4602 1 18 . 1 1 11 11 SER CA C 11 58.033 58.033 57.029 1.004 19549 4603 1 18 . 1 1 11 11 SER CB C 11 67.006 67.006 66.062 0.944 19549 4604 1 18 . 1 1 11 11 SER H H 11 8.651 8.651 8.359 0.292 19549 4605 1 18 . 1 1 12 12 ILE N N 12 124.514 124.514 119.970 4.544 19549 4606 1 18 . 1 1 12 12 ILE HA H 12 4.383 4.383 4.517 -0.134 19549 4607 1 18 . 1 1 12 12 ILE CA C 12 60.041 60.041 59.314 0.727 19549 4608 1 18 . 1 1 12 12 ILE CB C 12 42.818 42.818 42.573 0.245 19549 4609 1 18 . 1 1 12 12 ILE H H 12 9.266 9.266 8.835 0.431 19549 4610 1 18 . 1 1 13 13 ASN N N 13 126.280 126.280 119.704 6.576 19549 4611 1 18 . 1 1 13 13 ASN HA H 13 4.991 4.991 5.017 -0.026 19549 4612 1 18 . 1 1 13 13 ASN CA C 13 53.546 53.546 52.567 0.979 19549 4613 1 18 . 1 1 13 13 ASN CB C 13 41.558 41.558 41.933 -0.375 19549 4614 1 18 . 1 1 13 13 ASN H H 13 9.360 9.360 8.456 0.904 19549 4615 1 18 . 1 1 14 14 ILE N N 14 123.986 123.986 120.495 3.491 19549 4616 1 18 . 1 1 14 14 ILE HA H 14 4.439 4.439 4.484 -0.045 19549 4617 1 18 . 1 1 14 14 ILE CA C 14 60.646 60.646 60.591 0.055 19549 4618 1 18 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.697 -3.188 19549 4619 1 18 . 1 1 14 14 ILE H H 14 8.425 8.425 8.320 0.105 19549 4620 1 18 . 1 1 15 15 GLY N N 15 115.388 115.388 112.652 2.736 19549 4621 1 18 . 1 1 15 15 GLY CA C 15 46.004 46.004 46.116 -0.112 19549 4622 1 18 . 1 1 15 15 GLY H H 15 9.067 9.067 8.632 0.435 19549 4623 1 18 . 1 1 16 16 ASP N N 16 120.794 120.794 122.685 -1.891 19549 4624 1 18 . 1 1 16 16 ASP HA H 16 4.958 4.958 4.732 0.226 19549 4625 1 18 . 1 1 16 16 ASP CA C 16 55.353 55.353 54.293 1.060 19549 4626 1 18 . 1 1 16 16 ASP CB C 16 42.388 42.388 41.447 0.941 19549 4627 1 18 . 1 1 16 16 ASP H H 16 8.760 8.760 8.389 0.371 19549 4628 1 18 . 1 1 17 17 ASP N N 17 115.630 115.630 119.777 -4.147 19549 4629 1 18 . 1 1 17 17 ASP HA H 17 4.748 4.748 4.841 -0.093 19549 4630 1 18 . 1 1 17 17 ASP CA C 17 54.200 54.200 54.035 0.165 19549 4631 1 18 . 1 1 17 17 ASP CB C 17 42.610 42.610 43.686 -1.076 19549 4632 1 18 . 1 1 17 17 ASP H H 17 8.159 8.159 8.057 0.102 19549 4633 1 18 . 1 1 18 18 ILE N N 18 118.662 118.662 119.992 -1.330 19549 4634 1 18 . 1 1 18 18 ILE HA H 18 5.229 5.229 5.190 0.039 19549 4635 1 18 . 1 1 18 18 ILE CA C 18 60.093 60.093 60.280 -0.187 19549 4636 1 18 . 1 1 18 18 ILE CB C 18 39.842 39.842 42.118 -2.276 19549 4637 1 18 . 1 1 18 18 ILE H H 18 7.168 7.168 7.658 -0.490 19549 4638 1 18 . 1 1 19 19 THR N N 19 122.951 122.951 120.898 2.053 19549 4639 1 18 . 1 1 19 19 THR HA H 19 5.125 5.125 4.981 0.144 19549 4640 1 18 . 1 1 19 19 THR CA C 19 60.957 60.957 61.634 -0.677 19549 4641 1 18 . 1 1 19 19 THR CB C 19 71.814 71.814 72.529 -0.715 19549 4642 1 18 . 1 1 19 19 THR H H 19 8.929 8.929 8.708 0.221 19549 4643 1 18 . 1 1 20 20 ILE N N 20 123.522 123.522 121.879 1.643 19549 4644 1 18 . 1 1 20 20 ILE HA H 20 4.929 4.929 4.910 0.019 19549 4645 1 18 . 1 1 20 20 ILE CA C 20 58.829 58.829 59.470 -0.641 19549 4646 1 18 . 1 1 20 20 ILE CB C 20 40.386 40.386 41.971 -1.585 19549 4647 1 18 . 1 1 20 20 ILE H H 20 8.933 8.933 9.109 -0.176 19549 4648 1 18 . 1 1 21 21 THR N N 21 123.651 123.651 120.086 3.565 19549 4649 1 18 . 1 1 21 21 THR HA H 21 4.830 4.830 4.978 -0.148 19549 4650 1 18 . 1 1 21 21 THR CA C 21 61.581 61.581 61.467 0.114 19549 4651 1 18 . 1 1 21 21 THR CB C 21 72.037 72.037 72.292 -0.255 19549 4652 1 18 . 1 1 21 21 THR H H 21 9.395 9.395 8.926 0.469 19549 4653 1 18 . 1 1 22 22 ILE N N 22 125.699 125.699 126.723 -1.024 19549 4654 1 18 . 1 1 22 22 ILE HA H 22 4.061 4.061 4.535 -0.474 19549 4655 1 18 . 1 1 22 22 ILE CA C 22 59.160 59.160 58.339 0.821 19549 4656 1 18 . 1 1 22 22 ILE CB C 22 33.845 33.845 38.185 -4.340 19549 4657 1 18 . 1 1 22 22 ILE H H 22 8.108 8.108 8.512 -0.404 19549 4658 1 18 . 1 1 23 23 LEU N N 23 129.578 129.578 128.756 0.822 19549 4659 1 18 . 1 1 23 23 LEU HA H 23 4.594 4.594 4.304 0.290 19549 4660 1 18 . 1 1 23 23 LEU CA C 23 56.030 56.030 56.082 -0.052 19549 4661 1 18 . 1 1 23 23 LEU CB C 23 42.217 42.217 41.772 0.445 19549 4662 1 18 . 1 1 23 23 LEU H H 23 8.756 8.756 8.374 0.382 19549 4663 1 18 . 1 1 24 24 GLY N N 24 104.272 104.272 104.722 -0.450 19549 4664 1 18 . 1 1 24 24 GLY CA C 24 45.970 45.970 44.833 1.137 19549 4665 1 18 . 1 1 24 24 GLY H H 24 7.514 7.514 7.610 -0.096 19549 4666 1 18 . 1 1 25 25 VAL N N 25 120.134 120.134 116.455 3.679 19549 4667 1 18 . 1 1 25 25 VAL HA H 25 4.647 4.647 5.053 -0.406 19549 4668 1 18 . 1 1 25 25 VAL CA C 25 61.531 61.531 58.744 2.787 19549 4669 1 18 . 1 1 25 25 VAL CB C 25 35.904 35.904 35.667 0.237 19549 4670 1 18 . 1 1 25 25 VAL H H 25 8.395 8.395 8.313 0.082 19549 4671 1 18 . 1 1 26 26 SER N N 26 121.285 121.285 117.691 3.594 19549 4672 1 18 . 1 1 26 26 SER HA H 26 4.603 4.603 4.616 -0.013 19549 4673 1 18 . 1 1 26 26 SER CA C 26 54.493 54.493 58.201 -3.708 19549 4674 1 18 . 1 1 26 26 SER CB C 26 63.660 63.660 64.406 -0.746 19549 4675 1 18 . 1 1 26 26 SER H H 26 8.572 8.572 8.793 -0.221 19549 4676 1 18 . 1 1 27 27 GLY N N 27 118.284 118.284 115.917 2.367 19549 4677 1 18 . 1 1 27 27 GLY CA C 27 47.497 47.497 46.480 1.017 19549 4678 1 18 . 1 1 27 27 GLY H H 27 9.023 9.023 8.582 0.441 19549 4679 1 18 . 1 1 28 28 GLN N N 28 124.451 124.451 123.010 1.441 19549 4680 1 18 . 1 1 28 28 GLN HA H 28 4.279 4.279 4.511 -0.232 19549 4681 1 18 . 1 1 28 28 GLN CA C 28 55.059 55.059 55.502 -0.443 19549 4682 1 18 . 1 1 28 28 GLN CB C 28 29.318 29.318 29.583 -0.265 19549 4683 1 18 . 1 1 28 28 GLN H H 28 8.677 8.677 8.479 0.198 19549 4684 1 18 . 1 1 29 29 GLN N N 29 117.498 117.498 120.813 -3.315 19549 4685 1 18 . 1 1 29 29 GLN HA H 29 4.634 4.634 4.394 0.240 19549 4686 1 18 . 1 1 29 29 GLN CA C 29 55.294 55.294 56.189 -0.895 19549 4687 1 18 . 1 1 29 29 GLN CB C 29 31.664 31.664 29.749 1.915 19549 4688 1 18 . 1 1 29 29 GLN H H 29 8.008 8.008 7.695 0.313 19549 4689 1 18 . 1 1 30 30 VAL N N 30 124.525 124.525 122.367 2.158 19549 4690 1 18 . 1 1 30 30 VAL HA H 30 4.529 4.529 4.468 0.061 19549 4691 1 18 . 1 1 30 30 VAL CA C 30 60.568 60.568 61.489 -0.921 19549 4692 1 18 . 1 1 30 30 VAL CB C 30 34.606 34.606 33.960 0.646 19549 4693 1 18 . 1 1 30 30 VAL H H 30 9.147 9.147 8.452 0.695 19549 4694 1 18 . 1 1 31 31 ARG N N 31 128.593 128.593 128.877 -0.284 19549 4695 1 18 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.487 0.150 19549 4696 1 18 . 1 1 31 31 ARG CA C 31 55.501 55.501 55.559 -0.058 19549 4697 1 18 . 1 1 31 31 ARG CB C 31 31.889 31.889 31.215 0.674 19549 4698 1 18 . 1 1 31 31 ARG H H 31 8.690 8.690 8.726 -0.036 19549 4699 1 18 . 1 1 32 32 ILE N N 32 127.666 127.666 123.328 4.338 19549 4700 1 18 . 1 1 32 32 ILE HA H 32 4.613 4.613 4.870 -0.257 19549 4701 1 18 . 1 1 32 32 ILE CA C 32 59.838 59.838 59.442 0.396 19549 4702 1 18 . 1 1 32 32 ILE CB C 32 41.183 41.183 42.231 -1.048 19549 4703 1 18 . 1 1 32 32 ILE H H 32 9.114 9.114 8.385 0.729 19549 4704 1 18 . 1 1 33 33 GLY N N 33 112.830 112.830 111.261 1.569 19549 4705 1 18 . 1 1 33 33 GLY CA C 33 44.730 44.730 43.859 0.871 19549 4706 1 18 . 1 1 33 33 GLY H H 33 9.177 9.177 8.977 0.200 19549 4707 1 18 . 1 1 34 34 ILE N N 34 125.226 125.226 120.491 4.735 19549 4708 1 18 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.684 0.119 19549 4709 1 18 . 1 1 34 34 ILE CA C 34 61.001 61.001 60.562 0.439 19549 4710 1 18 . 1 1 34 34 ILE CB C 34 41.080 41.080 42.292 -1.212 19549 4711 1 18 . 1 1 34 34 ILE H H 34 9.637 9.637 8.194 1.443 19549 4712 1 18 . 1 1 35 35 ASN N N 35 129.590 129.590 125.287 4.303 19549 4713 1 18 . 1 1 35 35 ASN HA H 35 5.094 5.094 4.996 0.098 19549 4714 1 18 . 1 1 35 35 ASN CA C 35 52.185 52.185 52.202 -0.017 19549 4715 1 18 . 1 1 35 35 ASN CB C 35 40.108 40.108 39.996 0.112 19549 4716 1 18 . 1 1 35 35 ASN H H 35 9.029 9.029 8.958 0.071 19549 4717 1 18 . 1 1 36 36 ALA N N 36 125.688 125.688 128.061 -2.373 19549 4718 1 18 . 1 1 36 36 ALA HA H 36 5.063 5.063 5.225 -0.162 19549 4719 1 18 . 1 1 36 36 ALA CA C 36 49.365 49.365 49.318 0.047 19549 4720 1 18 . 1 1 36 36 ALA CB C 36 19.873 19.873 20.944 -1.071 19549 4721 1 18 . 1 1 36 36 ALA H H 36 8.208 8.208 8.055 0.153 19549 4722 1 18 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.547 -0.132 19549 4723 1 18 . 1 1 37 37 PRO CA C 37 62.916 62.916 62.308 0.608 19549 4724 1 18 . 1 1 37 37 PRO CB C 37 32.477 32.477 32.574 -0.097 19549 4725 1 18 . 1 1 38 38 LYS N N 38 121.103 121.103 120.175 0.928 19549 4726 1 18 . 1 1 38 38 LYS HA H 38 3.825 3.825 4.085 -0.260 19549 4727 1 18 . 1 1 38 38 LYS CA C 38 58.927 58.927 57.605 1.322 19549 4728 1 18 . 1 1 38 38 LYS CB C 38 32.014 32.014 32.011 0.003 19549 4729 1 18 . 1 1 38 38 LYS H H 38 8.550 8.550 8.611 -0.061 19549 4730 1 18 . 1 1 39 39 ASP N N 39 113.829 113.829 118.007 -4.178 19549 4731 1 18 . 1 1 39 39 ASP HA H 39 4.374 4.374 4.513 -0.139 19549 4732 1 18 . 1 1 39 39 ASP CA C 39 54.078 54.078 55.424 -1.346 19549 4733 1 18 . 1 1 39 39 ASP CB C 39 39.822 39.822 41.063 -1.241 19549 4734 1 18 . 1 1 39 39 ASP H H 39 8.143 8.143 8.162 -0.019 19549 4735 1 18 . 1 1 40 40 VAL N N 40 122.624 122.624 114.540 8.084 19549 4736 1 18 . 1 1 40 40 VAL HA H 40 3.980 3.980 4.469 -0.489 19549 4737 1 18 . 1 1 40 40 VAL CA C 40 62.040 62.040 59.630 2.410 19549 4738 1 18 . 1 1 40 40 VAL CB C 40 31.928 31.928 35.403 -3.475 19549 4739 1 18 . 1 1 40 40 VAL H H 40 8.020 8.020 7.510 0.510 19549 4740 1 18 . 1 1 41 41 ALA N N 41 133.718 133.718 123.948 9.770 19549 4741 1 18 . 1 1 41 41 ALA HA H 41 4.474 4.474 4.614 -0.140 19549 4742 1 18 . 1 1 41 41 ALA CA C 41 52.263 52.263 51.318 0.945 19549 4743 1 18 . 1 1 41 41 ALA CB C 41 19.155 19.155 19.653 -0.498 19549 4744 1 18 . 1 1 41 41 ALA H H 41 8.897 8.897 8.239 0.658 19549 4745 1 18 . 1 1 42 42 VAL N N 42 125.194 125.194 120.656 4.538 19549 4746 1 18 . 1 1 42 42 VAL HA H 42 4.434 4.434 4.187 0.247 19549 4747 1 18 . 1 1 42 42 VAL CA C 42 60.771 60.771 61.735 -0.964 19549 4748 1 18 . 1 1 42 42 VAL CB C 42 33.599 33.599 33.225 0.374 19549 4749 1 18 . 1 1 42 42 VAL H H 42 7.847 7.847 7.824 0.023 19549 4750 1 18 . 1 1 43 43 HIS N N 43 118.938 118.938 124.254 -5.316 19549 4751 1 18 . 1 1 43 43 HIS HA H 43 5.566 5.566 5.051 0.515 19549 4752 1 18 . 1 1 43 43 HIS CA C 43 53.931 53.931 55.294 -1.363 19549 4753 1 18 . 1 1 43 43 HIS CB C 43 37.649 37.649 31.597 6.052 19549 4754 1 18 . 1 1 43 43 HIS H H 43 8.644 8.644 8.230 0.414 19549 4755 1 18 . 1 1 44 44 ARG N N 44 122.301 122.301 120.426 1.875 19549 4756 1 18 . 1 1 44 44 ARG HA H 44 3.970 3.970 4.456 -0.486 19549 4757 1 18 . 1 1 44 44 ARG CA C 44 58.580 58.580 55.730 2.850 19549 4758 1 18 . 1 1 44 44 ARG H H 44 8.828 8.828 8.592 0.236 19549 4759 1 18 . 1 1 45 45 GLU N N 45 126.010 126.010 120.234 5.776 19549 4760 1 18 . 1 1 45 45 GLU HA H 45 4.417 4.417 4.012 0.405 19549 4761 1 18 . 1 1 45 45 GLU CA C 45 59.945 59.945 59.110 0.835 19549 4762 1 18 . 1 1 45 45 GLU CB C 45 29.981 29.981 28.809 1.171 19549 4763 1 18 . 1 1 45 45 GLU H H 45 7.895 7.895 8.918 -1.023 19549 4764 1 18 . 1 1 46 46 GLU N N 46 118.177 118.177 119.215 -1.038 19549 4765 1 18 . 1 1 46 46 GLU HA H 46 4.269 4.269 4.135 0.134 19549 4766 1 18 . 1 1 46 46 GLU CA C 46 58.726 58.726 59.243 -0.517 19549 4767 1 18 . 1 1 46 46 GLU CB C 46 27.085 27.085 29.383 -2.298 19549 4768 1 18 . 1 1 46 46 GLU H H 46 10.765 10.765 8.565 2.200 19549 4769 1 18 . 1 1 47 47 ILE N N 47 122.543 122.543 119.271 3.272 19549 4770 1 18 . 1 1 47 47 ILE HA H 47 3.796 3.796 3.838 -0.042 19549 4771 1 18 . 1 1 47 47 ILE CA C 47 61.102 61.102 63.116 -2.014 19549 4772 1 18 . 1 1 47 47 ILE CB C 47 35.713 35.713 37.820 -2.107 19549 4773 1 18 . 1 1 47 47 ILE H H 47 7.197 7.197 7.594 -0.397 19549 4774 1 18 . 1 1 48 48 TYR N N 48 122.234 122.234 122.350 -0.116 19549 4775 1 18 . 1 1 48 48 TYR HA H 48 3.655 3.655 3.993 -0.338 19549 4776 1 18 . 1 1 48 48 TYR CA C 48 62.312 62.312 61.939 0.373 19549 4777 1 18 . 1 1 48 48 TYR CB C 48 39.249 39.249 38.426 0.823 19549 4778 1 18 . 1 1 48 48 TYR H H 48 8.134 8.134 8.084 0.050 19549 4779 1 18 . 1 1 49 49 GLN N N 49 115.293 115.293 116.667 -1.374 19549 4780 1 18 . 1 1 49 49 GLN HA H 49 3.856 3.856 3.993 -0.137 19549 4781 1 18 . 1 1 49 49 GLN CA C 49 58.599 58.599 58.121 0.478 19549 4782 1 18 . 1 1 49 49 GLN CB C 49 28.265 28.265 28.421 -0.156 19549 4783 1 18 . 1 1 49 49 GLN H H 49 8.658 8.658 7.860 0.798 19549 4784 1 18 . 1 1 50 50 ARG N N 50 120.188 120.188 117.639 2.549 19549 4785 1 18 . 1 1 50 50 ARG HA H 50 3.983 3.983 4.175 -0.192 19549 4786 1 18 . 1 1 50 50 ARG CA C 50 59.219 59.219 57.674 1.545 19549 4787 1 18 . 1 1 50 50 ARG CB C 50 30.367 30.367 30.191 0.176 19549 4788 1 18 . 1 1 50 50 ARG H H 50 7.135 7.135 7.524 -0.389 19549 4789 1 18 . 1 1 51 51 ILE N N 51 120.791 120.791 119.727 1.064 19549 4790 1 18 . 1 1 51 51 ILE HA H 51 3.628 3.628 3.971 -0.343 19549 4791 1 18 . 1 1 51 51 ILE CA C 51 64.528 64.528 63.150 1.378 19549 4792 1 18 . 1 1 51 51 ILE CB C 51 38.019 38.019 38.535 -0.516 19549 4793 1 18 . 1 1 51 51 ILE H H 51 7.897 7.897 7.439 0.458 19549 4794 1 18 . 1 1 52 52 GLN N N 52 118.963 118.963 118.136 0.827 19549 4795 1 18 . 1 1 52 52 GLN HA H 52 3.808 3.808 4.036 -0.228 19549 4796 1 18 . 1 1 52 52 GLN CA C 52 57.546 57.546 56.097 1.449 19549 4797 1 18 . 1 1 52 52 GLN CB C 52 28.215 28.215 27.200 1.015 19549 4798 1 18 . 1 1 52 52 GLN H H 52 7.915 7.915 7.785 0.130 19549 4799 1 18 . 1 1 53 53 ALA N N 53 120.242 120.242 120.621 -0.379 19549 4800 1 18 . 1 1 53 53 ALA HA H 53 4.190 4.190 4.222 -0.032 19549 4801 1 18 . 1 1 53 53 ALA CA C 53 53.069 53.069 52.526 0.542 19549 4802 1 18 . 1 1 53 53 ALA CB C 53 18.757 18.757 18.771 -0.014 19549 4803 1 18 . 1 1 53 53 ALA H H 53 7.558 7.558 7.699 -0.141 19549 4804 1 18 . 1 1 54 54 GLY N N 54 105.982 105.982 105.076 0.906 19549 4805 1 18 . 1 1 54 54 GLY CA C 54 45.670 45.670 44.767 0.903 19549 4806 1 18 . 1 1 54 54 GLY H H 54 7.714 7.714 7.444 0.270 19549 4807 1 18 . 1 1 55 55 LEU N N 55 120.632 120.632 117.240 3.392 19549 4808 1 18 . 1 1 55 55 LEU HA H 55 4.320 4.320 4.670 -0.350 19549 4809 1 18 . 1 1 55 55 LEU CA C 55 55.352 55.352 55.298 0.054 19549 4810 1 18 . 1 1 55 55 LEU CB C 55 42.303 42.303 42.882 -0.579 19549 4811 1 18 . 1 1 55 55 LEU H H 55 7.725 7.725 7.859 -0.134 19549 4812 1 18 . 1 1 56 56 THR N N 56 113.330 113.330 113.471 -0.141 19549 4813 1 18 . 1 1 56 56 THR HA H 56 4.258 4.258 4.099 0.159 19549 4814 1 18 . 1 1 56 56 THR CA C 56 61.410 61.410 63.537 -2.127 19549 4815 1 18 . 1 1 56 56 THR CB C 56 70.101 70.101 68.877 1.224 19549 4816 1 18 . 1 1 56 56 THR H H 56 7.902 7.902 8.083 -0.181 19549 4817 1 18 . 1 1 57 57 ALA N N 57 127.054 127.054 123.715 3.339 19549 4818 1 18 . 1 1 57 57 ALA HA H 57 4.475 4.475 4.587 -0.112 19549 4819 1 18 . 1 1 57 57 ALA CA C 57 50.560 50.560 50.898 -0.338 19549 4820 1 18 . 1 1 57 57 ALA CB C 57 18.502 18.502 19.213 -0.711 19549 4821 1 18 . 1 1 57 57 ALA H H 57 8.050 8.050 7.539 0.511 19549 4822 1 18 . 1 1 58 58 PRO HA H 58 4.269 4.269 4.233 0.036 19549 4823 1 18 . 1 1 58 58 PRO CA C 58 63.723 63.723 63.961 -0.238 19549 4824 1 18 . 1 1 58 58 PRO CB C 58 31.907 31.907 32.140 -0.233 19549 4825 1 19 . 1 1 2 2 LEU N N 2 124.131 124.131 125.915 -1.784 19549 4826 1 19 . 1 1 2 2 LEU HA H 2 4.628 4.628 5.144 -0.516 19549 4827 1 19 . 1 1 2 2 LEU CA C 2 54.587 54.587 53.747 0.840 19549 4828 1 19 . 1 1 2 2 LEU CB C 2 42.584 42.584 44.847 -2.263 19549 4829 1 19 . 1 1 2 2 LEU H H 2 8.398 8.398 8.958 -0.560 19549 4830 1 19 . 1 1 3 3 ILE N N 3 130.553 130.553 120.931 9.622 19549 4831 1 19 . 1 1 3 3 ILE HA H 3 5.008 5.008 4.405 0.603 19549 4832 1 19 . 1 1 3 3 ILE CA C 3 60.327 60.327 60.774 -0.447 19549 4833 1 19 . 1 1 3 3 ILE CB C 3 38.133 38.133 39.062 -0.929 19549 4834 1 19 . 1 1 3 3 ILE H H 3 10.460 10.460 8.059 2.401 19549 4835 1 19 . 1 1 4 4 LEU N N 4 125.358 125.358 125.251 0.107 19549 4836 1 19 . 1 1 4 4 LEU HA H 4 4.963 4.963 4.757 0.206 19549 4837 1 19 . 1 1 4 4 LEU CA C 4 52.865 52.865 54.248 -1.383 19549 4838 1 19 . 1 1 4 4 LEU CB C 4 46.677 46.677 44.506 2.171 19549 4839 1 19 . 1 1 4 4 LEU H H 4 8.905 8.905 8.200 0.705 19549 4840 1 19 . 1 1 5 5 THR N N 5 116.751 116.751 116.920 -0.169 19549 4841 1 19 . 1 1 5 5 THR HA H 5 5.488 5.488 4.594 0.894 19549 4842 1 19 . 1 1 5 5 THR CA C 5 60.717 60.717 61.641 -0.924 19549 4843 1 19 . 1 1 5 5 THR CB C 5 69.781 69.781 69.248 0.533 19549 4844 1 19 . 1 1 5 5 THR H H 5 9.479 9.479 8.278 1.201 19549 4845 1 19 . 1 1 6 6 ARG N N 6 124.665 124.665 124.846 -0.181 19549 4846 1 19 . 1 1 6 6 ARG HA H 6 4.989 4.989 4.885 0.104 19549 4847 1 19 . 1 1 6 6 ARG CA C 6 55.266 55.266 55.062 0.204 19549 4848 1 19 . 1 1 6 6 ARG CB C 6 38.593 38.593 32.659 5.934 19549 4849 1 19 . 1 1 6 6 ARG H H 6 9.293 9.293 8.396 0.897 19549 4850 1 19 . 1 1 7 7 LYS N N 7 123.257 123.257 118.942 4.315 19549 4851 1 19 . 1 1 7 7 LYS HA H 7 5.102 5.102 4.664 0.438 19549 4852 1 19 . 1 1 7 7 LYS CA C 7 54.238 54.238 55.062 -0.824 19549 4853 1 19 . 1 1 7 7 LYS CB C 7 34.302 34.302 34.595 -0.293 19549 4854 1 19 . 1 1 7 7 LYS H H 7 9.412 9.412 9.228 0.184 19549 4855 1 19 . 1 1 8 8 VAL N N 8 118.052 118.052 118.553 -0.501 19549 4856 1 19 . 1 1 8 8 VAL HA H 8 3.277 3.277 3.991 -0.714 19549 4857 1 19 . 1 1 8 8 VAL CA C 8 65.940 65.940 63.369 2.571 19549 4858 1 19 . 1 1 8 8 VAL CB C 8 31.648 31.648 31.029 0.619 19549 4859 1 19 . 1 1 8 8 VAL H H 8 7.480 7.480 8.350 -0.870 19549 4860 1 19 . 1 1 9 9 GLY N N 9 115.983 115.983 114.900 1.083 19549 4861 1 19 . 1 1 9 9 GLY CA C 9 44.555 44.555 44.852 -0.297 19549 4862 1 19 . 1 1 9 9 GLY H H 9 9.192 9.192 9.178 0.014 19549 4863 1 19 . 1 1 10 10 GLU N N 10 119.194 119.194 120.591 -1.397 19549 4864 1 19 . 1 1 10 10 GLU HA H 10 4.886 4.886 4.715 0.171 19549 4865 1 19 . 1 1 10 10 GLU CA C 10 55.870 55.870 55.169 0.701 19549 4866 1 19 . 1 1 10 10 GLU CB C 10 33.038 33.038 31.467 1.571 19549 4867 1 19 . 1 1 10 10 GLU H H 10 8.294 8.294 7.918 0.376 19549 4868 1 19 . 1 1 11 11 SER N N 11 112.576 112.576 113.227 -0.651 19549 4869 1 19 . 1 1 11 11 SER HA H 11 5.875 5.875 5.331 0.544 19549 4870 1 19 . 1 1 11 11 SER CA C 11 58.033 58.033 57.068 0.965 19549 4871 1 19 . 1 1 11 11 SER CB C 11 67.006 67.006 66.553 0.453 19549 4872 1 19 . 1 1 11 11 SER H H 11 8.651 8.651 8.331 0.320 19549 4873 1 19 . 1 1 12 12 ILE N N 12 124.514 124.514 119.435 5.079 19549 4874 1 19 . 1 1 12 12 ILE HA H 12 4.383 4.383 4.540 -0.157 19549 4875 1 19 . 1 1 12 12 ILE CA C 12 60.041 60.041 60.239 -0.198 19549 4876 1 19 . 1 1 12 12 ILE CB C 12 42.818 42.818 42.689 0.129 19549 4877 1 19 . 1 1 12 12 ILE H H 12 9.266 9.266 8.843 0.423 19549 4878 1 19 . 1 1 13 13 ASN N N 13 126.280 126.280 119.797 6.483 19549 4879 1 19 . 1 1 13 13 ASN HA H 13 4.991 4.991 5.144 -0.153 19549 4880 1 19 . 1 1 13 13 ASN CA C 13 53.546 53.546 52.618 0.928 19549 4881 1 19 . 1 1 13 13 ASN CB C 13 41.558 41.558 41.818 -0.260 19549 4882 1 19 . 1 1 13 13 ASN H H 13 9.360 9.360 8.455 0.905 19549 4883 1 19 . 1 1 14 14 ILE N N 14 123.986 123.986 120.737 3.249 19549 4884 1 19 . 1 1 14 14 ILE HA H 14 4.439 4.439 4.490 -0.051 19549 4885 1 19 . 1 1 14 14 ILE CA C 14 60.646 60.646 60.534 0.112 19549 4886 1 19 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.746 -3.237 19549 4887 1 19 . 1 1 14 14 ILE H H 14 8.425 8.425 8.361 0.064 19549 4888 1 19 . 1 1 15 15 GLY N N 15 115.388 115.388 112.333 3.055 19549 4889 1 19 . 1 1 15 15 GLY CA C 15 46.004 46.004 46.080 -0.076 19549 4890 1 19 . 1 1 15 15 GLY H H 15 9.067 9.067 8.626 0.441 19549 4891 1 19 . 1 1 16 16 ASP N N 16 120.794 120.794 122.676 -1.882 19549 4892 1 19 . 1 1 16 16 ASP HA H 16 4.958 4.958 4.737 0.222 19549 4893 1 19 . 1 1 16 16 ASP CA C 16 55.353 55.353 54.285 1.068 19549 4894 1 19 . 1 1 16 16 ASP CB C 16 42.388 42.388 41.468 0.920 19549 4895 1 19 . 1 1 16 16 ASP H H 16 8.760 8.760 8.379 0.381 19549 4896 1 19 . 1 1 17 17 ASP N N 17 115.630 115.630 119.779 -4.149 19549 4897 1 19 . 1 1 17 17 ASP HA H 17 4.748 4.748 4.843 -0.095 19549 4898 1 19 . 1 1 17 17 ASP CA C 17 54.200 54.200 54.046 0.154 19549 4899 1 19 . 1 1 17 17 ASP CB C 17 42.610 42.610 43.739 -1.129 19549 4900 1 19 . 1 1 17 17 ASP H H 17 8.159 8.159 8.026 0.133 19549 4901 1 19 . 1 1 18 18 ILE N N 18 118.662 118.662 120.169 -1.507 19549 4902 1 19 . 1 1 18 18 ILE HA H 18 5.229 5.229 5.211 0.018 19549 4903 1 19 . 1 1 18 18 ILE CA C 18 60.093 60.093 60.211 -0.118 19549 4904 1 19 . 1 1 18 18 ILE CB C 18 39.842 39.842 41.975 -2.133 19549 4905 1 19 . 1 1 18 18 ILE H H 18 7.168 7.168 7.662 -0.494 19549 4906 1 19 . 1 1 19 19 THR N N 19 122.951 122.951 121.141 1.810 19549 4907 1 19 . 1 1 19 19 THR HA H 19 5.125 5.125 5.012 0.113 19549 4908 1 19 . 1 1 19 19 THR CA C 19 60.957 60.957 61.613 -0.656 19549 4909 1 19 . 1 1 19 19 THR CB C 19 71.814 71.814 72.450 -0.636 19549 4910 1 19 . 1 1 19 19 THR H H 19 8.929 8.929 8.892 0.037 19549 4911 1 19 . 1 1 20 20 ILE N N 20 123.522 123.522 122.022 1.500 19549 4912 1 19 . 1 1 20 20 ILE HA H 20 4.929 4.929 4.867 0.062 19549 4913 1 19 . 1 1 20 20 ILE CA C 20 58.829 58.829 59.406 -0.577 19549 4914 1 19 . 1 1 20 20 ILE CB C 20 40.386 40.386 42.057 -1.671 19549 4915 1 19 . 1 1 20 20 ILE H H 20 8.933 8.933 9.073 -0.140 19549 4916 1 19 . 1 1 21 21 THR N N 21 123.651 123.651 119.862 3.789 19549 4917 1 19 . 1 1 21 21 THR HA H 21 4.830 4.830 4.925 -0.095 19549 4918 1 19 . 1 1 21 21 THR CA C 21 61.581 61.581 61.461 0.120 19549 4919 1 19 . 1 1 21 21 THR CB C 21 72.037 72.037 72.248 -0.211 19549 4920 1 19 . 1 1 21 21 THR H H 21 9.395 9.395 8.840 0.555 19549 4921 1 19 . 1 1 22 22 ILE N N 22 125.699 125.699 126.595 -0.896 19549 4922 1 19 . 1 1 22 22 ILE HA H 22 4.061 4.061 4.519 -0.458 19549 4923 1 19 . 1 1 22 22 ILE CA C 22 59.160 59.160 58.341 0.819 19549 4924 1 19 . 1 1 22 22 ILE CB C 22 33.845 33.845 38.137 -4.292 19549 4925 1 19 . 1 1 22 22 ILE H H 22 8.108 8.108 8.432 -0.324 19549 4926 1 19 . 1 1 23 23 LEU N N 23 129.578 129.578 128.847 0.731 19549 4927 1 19 . 1 1 23 23 LEU HA H 23 4.594 4.594 4.284 0.310 19549 4928 1 19 . 1 1 23 23 LEU CA C 23 56.030 56.030 56.188 -0.158 19549 4929 1 19 . 1 1 23 23 LEU CB C 23 42.217 42.217 41.822 0.395 19549 4930 1 19 . 1 1 23 23 LEU H H 23 8.756 8.756 8.318 0.438 19549 4931 1 19 . 1 1 24 24 GLY N N 24 104.272 104.272 104.803 -0.531 19549 4932 1 19 . 1 1 24 24 GLY CA C 24 45.970 45.970 44.839 1.131 19549 4933 1 19 . 1 1 24 24 GLY H H 24 7.514 7.514 7.571 -0.057 19549 4934 1 19 . 1 1 25 25 VAL N N 25 120.134 120.134 116.082 4.052 19549 4935 1 19 . 1 1 25 25 VAL HA H 25 4.647 4.647 4.678 -0.031 19549 4936 1 19 . 1 1 25 25 VAL CA C 25 61.531 61.531 58.993 2.538 19549 4937 1 19 . 1 1 25 25 VAL CB C 25 35.904 35.904 35.877 0.027 19549 4938 1 19 . 1 1 25 25 VAL H H 25 8.395 8.395 8.142 0.253 19549 4939 1 19 . 1 1 26 26 SER N N 26 121.285 121.285 118.128 3.157 19549 4940 1 19 . 1 1 26 26 SER HA H 26 4.603 4.603 4.643 -0.040 19549 4941 1 19 . 1 1 26 26 SER CA C 26 54.493 54.493 58.139 -3.646 19549 4942 1 19 . 1 1 26 26 SER CB C 26 63.660 63.660 63.499 0.161 19549 4943 1 19 . 1 1 26 26 SER H H 26 8.572 8.572 8.794 -0.222 19549 4944 1 19 . 1 1 27 27 GLY N N 27 118.284 118.284 115.101 3.183 19549 4945 1 19 . 1 1 27 27 GLY CA C 27 47.497 47.497 45.628 1.869 19549 4946 1 19 . 1 1 27 27 GLY H H 27 9.023 9.023 8.252 0.771 19549 4947 1 19 . 1 1 28 28 GLN N N 28 124.451 124.451 122.910 1.541 19549 4948 1 19 . 1 1 28 28 GLN HA H 28 4.279 4.279 4.265 0.014 19549 4949 1 19 . 1 1 28 28 GLN CA C 28 55.059 55.059 56.432 -1.373 19549 4950 1 19 . 1 1 28 28 GLN CB C 28 29.318 29.318 28.726 0.592 19549 4951 1 19 . 1 1 28 28 GLN H H 28 8.677 8.677 8.605 0.072 19549 4952 1 19 . 1 1 29 29 GLN N N 29 117.498 117.498 119.140 -1.642 19549 4953 1 19 . 1 1 29 29 GLN HA H 29 4.634 4.634 4.405 0.229 19549 4954 1 19 . 1 1 29 29 GLN CA C 29 55.294 55.294 55.625 -0.331 19549 4955 1 19 . 1 1 29 29 GLN CB C 29 31.664 31.664 30.401 1.264 19549 4956 1 19 . 1 1 29 29 GLN H H 29 8.008 8.008 7.574 0.434 19549 4957 1 19 . 1 1 30 30 VAL N N 30 124.525 124.525 122.282 2.243 19549 4958 1 19 . 1 1 30 30 VAL HA H 30 4.529 4.529 4.255 0.274 19549 4959 1 19 . 1 1 30 30 VAL CA C 30 60.568 60.568 60.997 -0.429 19549 4960 1 19 . 1 1 30 30 VAL CB C 30 34.606 34.606 34.611 -0.005 19549 4961 1 19 . 1 1 30 30 VAL H H 30 9.147 9.147 8.359 0.788 19549 4962 1 19 . 1 1 31 31 ARG N N 31 128.593 128.593 128.079 0.514 19549 4963 1 19 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.631 0.006 19549 4964 1 19 . 1 1 31 31 ARG CA C 31 55.501 55.501 55.392 0.110 19549 4965 1 19 . 1 1 31 31 ARG CB C 31 31.889 31.889 31.595 0.294 19549 4966 1 19 . 1 1 31 31 ARG H H 31 8.690 8.690 8.604 0.086 19549 4967 1 19 . 1 1 32 32 ILE N N 32 127.666 127.666 123.044 4.622 19549 4968 1 19 . 1 1 32 32 ILE HA H 32 4.613 4.613 4.854 -0.241 19549 4969 1 19 . 1 1 32 32 ILE CA C 32 59.838 59.838 59.497 0.341 19549 4970 1 19 . 1 1 32 32 ILE CB C 32 41.183 41.183 42.279 -1.097 19549 4971 1 19 . 1 1 32 32 ILE H H 32 9.114 9.114 8.429 0.685 19549 4972 1 19 . 1 1 33 33 GLY N N 33 112.830 112.830 111.103 1.727 19549 4973 1 19 . 1 1 33 33 GLY CA C 33 44.730 44.730 43.883 0.847 19549 4974 1 19 . 1 1 33 33 GLY H H 33 9.177 9.177 8.943 0.234 19549 4975 1 19 . 1 1 34 34 ILE N N 34 125.226 125.226 120.043 5.183 19549 4976 1 19 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.723 0.080 19549 4977 1 19 . 1 1 34 34 ILE CA C 34 61.001 61.001 60.440 0.561 19549 4978 1 19 . 1 1 34 34 ILE CB C 34 41.080 41.080 42.475 -1.395 19549 4979 1 19 . 1 1 34 34 ILE H H 34 9.637 9.637 8.198 1.439 19549 4980 1 19 . 1 1 35 35 ASN N N 35 129.590 129.590 124.189 5.401 19549 4981 1 19 . 1 1 35 35 ASN HA H 35 5.094 5.094 4.988 0.106 19549 4982 1 19 . 1 1 35 35 ASN CA C 35 52.185 52.185 52.716 -0.531 19549 4983 1 19 . 1 1 35 35 ASN CB C 35 40.108 40.108 40.905 -0.797 19549 4984 1 19 . 1 1 35 35 ASN H H 35 9.029 9.029 8.823 0.206 19549 4985 1 19 . 1 1 36 36 ALA N N 36 125.688 125.688 128.110 -2.422 19549 4986 1 19 . 1 1 36 36 ALA HA H 36 5.063 5.063 5.205 -0.142 19549 4987 1 19 . 1 1 36 36 ALA CA C 36 49.365 49.365 49.558 -0.193 19549 4988 1 19 . 1 1 36 36 ALA CB C 36 19.873 19.873 21.010 -1.137 19549 4989 1 19 . 1 1 36 36 ALA H H 36 8.208 8.208 8.176 0.032 19549 4990 1 19 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.576 -0.161 19549 4991 1 19 . 1 1 37 37 PRO CA C 37 62.916 62.916 62.277 0.639 19549 4992 1 19 . 1 1 37 37 PRO CB C 37 32.477 32.477 32.247 0.230 19549 4993 1 19 . 1 1 38 38 LYS N N 38 121.103 121.103 120.580 0.523 19549 4994 1 19 . 1 1 38 38 LYS HA H 38 3.825 3.825 4.115 -0.290 19549 4995 1 19 . 1 1 38 38 LYS CA C 38 58.927 58.927 57.684 1.243 19549 4996 1 19 . 1 1 38 38 LYS CB C 38 32.014 32.014 31.794 0.220 19549 4997 1 19 . 1 1 38 38 LYS H H 38 8.550 8.550 8.473 0.077 19549 4998 1 19 . 1 1 39 39 ASP N N 39 113.829 113.829 118.722 -4.893 19549 4999 1 19 . 1 1 39 39 ASP HA H 39 4.374 4.374 4.499 -0.125 19549 5000 1 19 . 1 1 39 39 ASP CA C 39 54.078 54.078 54.765 -0.687 19549 5001 1 19 . 1 1 39 39 ASP CB C 39 39.822 39.822 41.087 -1.265 19549 5002 1 19 . 1 1 39 39 ASP H H 39 8.143 8.143 8.248 -0.105 19549 5003 1 19 . 1 1 40 40 VAL N N 40 122.624 122.624 114.576 8.048 19549 5004 1 19 . 1 1 40 40 VAL HA H 40 3.980 3.980 4.468 -0.488 19549 5005 1 19 . 1 1 40 40 VAL CA C 40 62.040 62.040 59.700 2.340 19549 5006 1 19 . 1 1 40 40 VAL CB C 40 31.928 31.928 35.375 -3.447 19549 5007 1 19 . 1 1 40 40 VAL H H 40 8.020 8.020 7.440 0.580 19549 5008 1 19 . 1 1 41 41 ALA N N 41 133.718 133.718 124.363 9.355 19549 5009 1 19 . 1 1 41 41 ALA HA H 41 4.474 4.474 4.913 -0.439 19549 5010 1 19 . 1 1 41 41 ALA CA C 41 52.263 52.263 50.972 1.291 19549 5011 1 19 . 1 1 41 41 ALA CB C 41 19.155 19.155 19.965 -0.809 19549 5012 1 19 . 1 1 41 41 ALA H H 41 8.897 8.897 8.327 0.570 19549 5013 1 19 . 1 1 42 42 VAL N N 42 125.194 125.194 120.018 5.176 19549 5014 1 19 . 1 1 42 42 VAL HA H 42 4.434 4.434 4.280 0.154 19549 5015 1 19 . 1 1 42 42 VAL CA C 42 60.771 60.771 61.422 -0.651 19549 5016 1 19 . 1 1 42 42 VAL CB C 42 33.599 33.599 33.065 0.534 19549 5017 1 19 . 1 1 42 42 VAL H H 42 7.847 7.847 7.908 -0.061 19549 5018 1 19 . 1 1 43 43 HIS N N 43 118.938 118.938 123.768 -4.830 19549 5019 1 19 . 1 1 43 43 HIS HA H 43 5.566 5.566 4.910 0.656 19549 5020 1 19 . 1 1 43 43 HIS CA C 43 53.931 53.931 55.198 -1.267 19549 5021 1 19 . 1 1 43 43 HIS CB C 43 37.649 37.649 31.851 5.798 19549 5022 1 19 . 1 1 43 43 HIS H H 43 8.644 8.644 8.361 0.283 19549 5023 1 19 . 1 1 44 44 ARG N N 44 122.301 122.301 121.283 1.018 19549 5024 1 19 . 1 1 44 44 ARG HA H 44 3.970 3.970 4.362 -0.392 19549 5025 1 19 . 1 1 44 44 ARG CA C 44 58.580 58.580 55.855 2.725 19549 5026 1 19 . 1 1 44 44 ARG H H 44 8.828 8.828 8.708 0.120 19549 5027 1 19 . 1 1 45 45 GLU N N 45 126.010 126.010 122.011 3.999 19549 5028 1 19 . 1 1 45 45 GLU HA H 45 4.417 4.417 4.029 0.388 19549 5029 1 19 . 1 1 45 45 GLU CA C 45 59.945 59.945 59.500 0.445 19549 5030 1 19 . 1 1 45 45 GLU CB C 45 29.981 29.981 29.695 0.286 19549 5031 1 19 . 1 1 45 45 GLU H H 45 7.895 7.895 8.877 -0.982 19549 5032 1 19 . 1 1 46 46 GLU N N 46 118.177 118.177 119.153 -0.976 19549 5033 1 19 . 1 1 46 46 GLU HA H 46 4.269 4.269 4.167 0.102 19549 5034 1 19 . 1 1 46 46 GLU CA C 46 58.726 58.726 59.356 -0.630 19549 5035 1 19 . 1 1 46 46 GLU CB C 46 27.085 27.085 29.399 -2.314 19549 5036 1 19 . 1 1 46 46 GLU H H 46 10.765 10.765 8.511 2.254 19549 5037 1 19 . 1 1 47 47 ILE N N 47 122.543 122.543 119.105 3.438 19549 5038 1 19 . 1 1 47 47 ILE HA H 47 3.796 3.796 3.873 -0.077 19549 5039 1 19 . 1 1 47 47 ILE CA C 47 61.102 61.102 62.992 -1.890 19549 5040 1 19 . 1 1 47 47 ILE CB C 47 35.713 35.713 37.654 -1.941 19549 5041 1 19 . 1 1 47 47 ILE H H 47 7.197 7.197 7.495 -0.298 19549 5042 1 19 . 1 1 48 48 TYR N N 48 122.234 122.234 121.756 0.478 19549 5043 1 19 . 1 1 48 48 TYR HA H 48 3.655 3.655 3.987 -0.332 19549 5044 1 19 . 1 1 48 48 TYR CA C 48 62.312 62.312 62.118 0.194 19549 5045 1 19 . 1 1 48 48 TYR CB C 48 39.249 39.249 38.301 0.948 19549 5046 1 19 . 1 1 48 48 TYR H H 48 8.134 8.134 8.441 -0.307 19549 5047 1 19 . 1 1 49 49 GLN N N 49 115.293 115.293 115.888 -0.595 19549 5048 1 19 . 1 1 49 49 GLN HA H 49 3.856 3.856 3.999 -0.143 19549 5049 1 19 . 1 1 49 49 GLN CA C 49 58.599 58.599 58.226 0.373 19549 5050 1 19 . 1 1 49 49 GLN CB C 49 28.265 28.265 28.425 -0.160 19549 5051 1 19 . 1 1 49 49 GLN H H 49 8.658 8.658 7.883 0.775 19549 5052 1 19 . 1 1 50 50 ARG N N 50 120.188 120.188 117.964 2.224 19549 5053 1 19 . 1 1 50 50 ARG HA H 50 3.983 3.983 4.143 -0.160 19549 5054 1 19 . 1 1 50 50 ARG CA C 50 59.219 59.219 57.775 1.444 19549 5055 1 19 . 1 1 50 50 ARG CB C 50 30.367 30.367 30.005 0.362 19549 5056 1 19 . 1 1 50 50 ARG H H 50 7.135 7.135 7.554 -0.419 19549 5057 1 19 . 1 1 51 51 ILE N N 51 120.791 120.791 119.518 1.273 19549 5058 1 19 . 1 1 51 51 ILE HA H 51 3.628 3.628 3.957 -0.329 19549 5059 1 19 . 1 1 51 51 ILE CA C 51 64.528 64.528 63.143 1.385 19549 5060 1 19 . 1 1 51 51 ILE CB C 51 38.019 38.019 38.474 -0.454 19549 5061 1 19 . 1 1 51 51 ILE H H 51 7.897 7.897 7.382 0.515 19549 5062 1 19 . 1 1 52 52 GLN N N 52 118.963 118.963 117.967 0.996 19549 5063 1 19 . 1 1 52 52 GLN HA H 52 3.808 3.808 4.052 -0.244 19549 5064 1 19 . 1 1 52 52 GLN CA C 52 57.546 57.546 56.026 1.520 19549 5065 1 19 . 1 1 52 52 GLN CB C 52 28.215 28.215 27.159 1.056 19549 5066 1 19 . 1 1 52 52 GLN H H 52 7.915 7.915 7.704 0.211 19549 5067 1 19 . 1 1 53 53 ALA N N 53 120.242 120.242 120.692 -0.450 19549 5068 1 19 . 1 1 53 53 ALA HA H 53 4.190 4.190 4.226 -0.036 19549 5069 1 19 . 1 1 53 53 ALA CA C 53 53.069 53.069 52.596 0.473 19549 5070 1 19 . 1 1 53 53 ALA CB C 53 18.757 18.757 18.852 -0.095 19549 5071 1 19 . 1 1 53 53 ALA H H 53 7.558 7.558 7.708 -0.150 19549 5072 1 19 . 1 1 54 54 GLY N N 54 105.982 105.982 105.206 0.776 19549 5073 1 19 . 1 1 54 54 GLY CA C 54 45.670 45.670 44.797 0.873 19549 5074 1 19 . 1 1 54 54 GLY H H 54 7.714 7.714 7.449 0.265 19549 5075 1 19 . 1 1 55 55 LEU N N 55 120.632 120.632 117.422 3.210 19549 5076 1 19 . 1 1 55 55 LEU HA H 55 4.320 4.320 4.691 -0.371 19549 5077 1 19 . 1 1 55 55 LEU CA C 55 55.352 55.352 55.157 0.195 19549 5078 1 19 . 1 1 55 55 LEU CB C 55 42.303 42.303 43.063 -0.760 19549 5079 1 19 . 1 1 55 55 LEU H H 55 7.725 7.725 7.823 -0.098 19549 5080 1 19 . 1 1 56 56 THR N N 56 113.330 113.330 113.360 -0.030 19549 5081 1 19 . 1 1 56 56 THR HA H 56 4.258 4.258 4.089 0.169 19549 5082 1 19 . 1 1 56 56 THR CA C 56 61.410 61.410 63.548 -2.138 19549 5083 1 19 . 1 1 56 56 THR CB C 56 70.101 70.101 68.776 1.325 19549 5084 1 19 . 1 1 56 56 THR H H 56 7.902 7.902 8.065 -0.163 19549 5085 1 19 . 1 1 57 57 ALA N N 57 127.054 127.054 123.576 3.478 19549 5086 1 19 . 1 1 57 57 ALA HA H 57 4.475 4.475 4.632 -0.157 19549 5087 1 19 . 1 1 57 57 ALA CA C 57 50.560 50.560 50.683 -0.123 19549 5088 1 19 . 1 1 57 57 ALA CB C 57 18.502 18.502 19.309 -0.807 19549 5089 1 19 . 1 1 57 57 ALA H H 57 8.050 8.050 7.832 0.218 19549 5090 1 19 . 1 1 58 58 PRO HA H 58 4.269 4.269 4.314 -0.045 19549 5091 1 19 . 1 1 58 58 PRO CA C 58 63.723 63.723 62.886 0.836 19549 5092 1 19 . 1 1 58 58 PRO CB C 58 31.907 31.907 32.389 -0.482 19549 5093 1 20 . 1 1 2 2 LEU N N 2 124.131 124.131 125.332 -1.201 19549 5094 1 20 . 1 1 2 2 LEU HA H 2 4.628 4.628 5.128 -0.500 19549 5095 1 20 . 1 1 2 2 LEU CA C 2 54.587 54.587 53.842 0.745 19549 5096 1 20 . 1 1 2 2 LEU CB C 2 42.584 42.584 45.046 -2.462 19549 5097 1 20 . 1 1 2 2 LEU H H 2 8.398 8.398 8.900 -0.502 19549 5098 1 20 . 1 1 3 3 ILE N N 3 130.553 130.553 121.022 9.531 19549 5099 1 20 . 1 1 3 3 ILE HA H 3 5.008 5.008 4.404 0.604 19549 5100 1 20 . 1 1 3 3 ILE CA C 3 60.327 60.327 60.821 -0.494 19549 5101 1 20 . 1 1 3 3 ILE CB C 3 38.133 38.133 38.963 -0.830 19549 5102 1 20 . 1 1 3 3 ILE H H 3 10.460 10.460 8.096 2.364 19549 5103 1 20 . 1 1 4 4 LEU N N 4 125.358 125.358 126.793 -1.435 19549 5104 1 20 . 1 1 4 4 LEU HA H 4 4.963 4.963 4.798 0.165 19549 5105 1 20 . 1 1 4 4 LEU CA C 4 52.865 52.865 53.919 -1.054 19549 5106 1 20 . 1 1 4 4 LEU CB C 4 46.677 46.677 44.319 2.358 19549 5107 1 20 . 1 1 4 4 LEU H H 4 8.905 8.905 8.289 0.616 19549 5108 1 20 . 1 1 5 5 THR N N 5 116.751 116.751 117.379 -0.628 19549 5109 1 20 . 1 1 5 5 THR HA H 5 5.488 5.488 4.679 0.809 19549 5110 1 20 . 1 1 5 5 THR CA C 5 60.717 60.717 61.737 -1.020 19549 5111 1 20 . 1 1 5 5 THR CB C 5 69.781 69.781 69.805 -0.024 19549 5112 1 20 . 1 1 5 5 THR H H 5 9.479 9.479 8.250 1.229 19549 5113 1 20 . 1 1 6 6 ARG N N 6 124.665 124.665 123.373 1.292 19549 5114 1 20 . 1 1 6 6 ARG HA H 6 4.989 4.989 4.933 0.056 19549 5115 1 20 . 1 1 6 6 ARG CA C 6 55.266 55.266 54.788 0.478 19549 5116 1 20 . 1 1 6 6 ARG CB C 6 38.593 38.593 33.721 4.872 19549 5117 1 20 . 1 1 6 6 ARG H H 6 9.293 9.293 8.438 0.855 19549 5118 1 20 . 1 1 7 7 LYS N N 7 123.257 123.257 119.079 4.178 19549 5119 1 20 . 1 1 7 7 LYS HA H 7 5.102 5.102 4.661 0.441 19549 5120 1 20 . 1 1 7 7 LYS CA C 7 54.238 54.238 55.051 -0.813 19549 5121 1 20 . 1 1 7 7 LYS CB C 7 34.302 34.302 34.710 -0.408 19549 5122 1 20 . 1 1 7 7 LYS H H 7 9.412 9.412 9.108 0.304 19549 5123 1 20 . 1 1 8 8 VAL N N 8 118.052 118.052 118.683 -0.631 19549 5124 1 20 . 1 1 8 8 VAL HA H 8 3.277 3.277 4.078 -0.801 19549 5125 1 20 . 1 1 8 8 VAL CA C 8 65.940 65.940 63.291 2.649 19549 5126 1 20 . 1 1 8 8 VAL CB C 8 31.648 31.648 30.810 0.838 19549 5127 1 20 . 1 1 8 8 VAL H H 8 7.480 7.480 8.349 -0.869 19549 5128 1 20 . 1 1 9 9 GLY N N 9 115.983 115.983 114.997 0.986 19549 5129 1 20 . 1 1 9 9 GLY CA C 9 44.555 44.555 44.812 -0.258 19549 5130 1 20 . 1 1 9 9 GLY H H 9 9.192 9.192 9.289 -0.097 19549 5131 1 20 . 1 1 10 10 GLU N N 10 119.194 119.194 119.333 -0.139 19549 5132 1 20 . 1 1 10 10 GLU HA H 10 4.886 4.886 4.802 0.084 19549 5133 1 20 . 1 1 10 10 GLU CA C 10 55.870 55.870 54.694 1.176 19549 5134 1 20 . 1 1 10 10 GLU CB C 10 33.038 33.038 32.375 0.663 19549 5135 1 20 . 1 1 10 10 GLU H H 10 8.294 8.294 8.022 0.272 19549 5136 1 20 . 1 1 11 11 SER N N 11 112.576 112.576 112.819 -0.243 19549 5137 1 20 . 1 1 11 11 SER HA H 11 5.875 5.875 5.256 0.619 19549 5138 1 20 . 1 1 11 11 SER CA C 11 58.033 58.033 57.489 0.544 19549 5139 1 20 . 1 1 11 11 SER CB C 11 67.006 67.006 66.436 0.569 19549 5140 1 20 . 1 1 11 11 SER H H 11 8.651 8.651 8.416 0.235 19549 5141 1 20 . 1 1 12 12 ILE N N 12 124.514 124.514 120.097 4.417 19549 5142 1 20 . 1 1 12 12 ILE HA H 12 4.383 4.383 4.512 -0.129 19549 5143 1 20 . 1 1 12 12 ILE CA C 12 60.041 60.041 60.221 -0.180 19549 5144 1 20 . 1 1 12 12 ILE CB C 12 42.818 42.818 42.737 0.081 19549 5145 1 20 . 1 1 12 12 ILE H H 12 9.266 9.266 8.704 0.562 19549 5146 1 20 . 1 1 13 13 ASN N N 13 126.280 126.280 120.299 5.981 19549 5147 1 20 . 1 1 13 13 ASN HA H 13 4.991 4.991 5.067 -0.076 19549 5148 1 20 . 1 1 13 13 ASN CA C 13 53.546 53.546 52.543 1.003 19549 5149 1 20 . 1 1 13 13 ASN CB C 13 41.558 41.558 41.628 -0.070 19549 5150 1 20 . 1 1 13 13 ASN H H 13 9.360 9.360 8.461 0.899 19549 5151 1 20 . 1 1 14 14 ILE N N 14 123.986 123.986 120.783 3.203 19549 5152 1 20 . 1 1 14 14 ILE HA H 14 4.439 4.439 4.489 -0.050 19549 5153 1 20 . 1 1 14 14 ILE CA C 14 60.646 60.646 60.584 0.062 19549 5154 1 20 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.671 -3.162 19549 5155 1 20 . 1 1 14 14 ILE H H 14 8.425 8.425 8.443 -0.018 19549 5156 1 20 . 1 1 15 15 GLY N N 15 115.388 115.388 112.708 2.680 19549 5157 1 20 . 1 1 15 15 GLY CA C 15 46.004 46.004 46.140 -0.136 19549 5158 1 20 . 1 1 15 15 GLY H H 15 9.067 9.067 8.640 0.427 19549 5159 1 20 . 1 1 16 16 ASP N N 16 120.794 120.794 122.696 -1.902 19549 5160 1 20 . 1 1 16 16 ASP HA H 16 4.958 4.958 4.738 0.220 19549 5161 1 20 . 1 1 16 16 ASP CA C 16 55.353 55.353 54.295 1.058 19549 5162 1 20 . 1 1 16 16 ASP CB C 16 42.388 42.388 41.462 0.926 19549 5163 1 20 . 1 1 16 16 ASP H H 16 8.760 8.760 8.379 0.381 19549 5164 1 20 . 1 1 17 17 ASP N N 17 115.630 115.630 119.763 -4.133 19549 5165 1 20 . 1 1 17 17 ASP HA H 17 4.748 4.748 4.846 -0.098 19549 5166 1 20 . 1 1 17 17 ASP CA C 17 54.200 54.200 54.044 0.156 19549 5167 1 20 . 1 1 17 17 ASP CB C 17 42.610 42.610 43.757 -1.147 19549 5168 1 20 . 1 1 17 17 ASP H H 17 8.159 8.159 8.015 0.144 19549 5169 1 20 . 1 1 18 18 ILE N N 18 118.662 118.662 120.215 -1.553 19549 5170 1 20 . 1 1 18 18 ILE HA H 18 5.229 5.229 5.248 -0.019 19549 5171 1 20 . 1 1 18 18 ILE CA C 18 60.093 60.093 60.245 -0.152 19549 5172 1 20 . 1 1 18 18 ILE CB C 18 39.842 39.842 41.984 -2.142 19549 5173 1 20 . 1 1 18 18 ILE H H 18 7.168 7.168 7.682 -0.514 19549 5174 1 20 . 1 1 19 19 THR N N 19 122.951 122.951 121.161 1.790 19549 5175 1 20 . 1 1 19 19 THR HA H 19 5.125 5.125 4.998 0.127 19549 5176 1 20 . 1 1 19 19 THR CA C 19 60.957 60.957 61.677 -0.720 19549 5177 1 20 . 1 1 19 19 THR CB C 19 71.814 71.814 72.544 -0.730 19549 5178 1 20 . 1 1 19 19 THR H H 19 8.929 8.929 8.786 0.143 19549 5179 1 20 . 1 1 20 20 ILE N N 20 123.522 123.522 122.176 1.346 19549 5180 1 20 . 1 1 20 20 ILE HA H 20 4.929 4.929 4.970 -0.041 19549 5181 1 20 . 1 1 20 20 ILE CA C 20 58.829 58.829 59.303 -0.474 19549 5182 1 20 . 1 1 20 20 ILE CB C 20 40.386 40.386 41.751 -1.365 19549 5183 1 20 . 1 1 20 20 ILE H H 20 8.933 8.933 9.187 -0.254 19549 5184 1 20 . 1 1 21 21 THR N N 21 123.651 123.651 120.723 2.928 19549 5185 1 20 . 1 1 21 21 THR HA H 21 4.830 4.830 4.965 -0.135 19549 5186 1 20 . 1 1 21 21 THR CA C 21 61.581 61.581 61.844 -0.264 19549 5187 1 20 . 1 1 21 21 THR CB C 21 72.037 72.037 72.344 -0.307 19549 5188 1 20 . 1 1 21 21 THR H H 21 9.395 9.395 8.907 0.488 19549 5189 1 20 . 1 1 22 22 ILE N N 22 125.699 125.699 126.578 -0.879 19549 5190 1 20 . 1 1 22 22 ILE HA H 22 4.061 4.061 4.592 -0.531 19549 5191 1 20 . 1 1 22 22 ILE CA C 22 59.160 59.160 58.202 0.958 19549 5192 1 20 . 1 1 22 22 ILE CB C 22 33.845 33.845 38.207 -4.362 19549 5193 1 20 . 1 1 22 22 ILE H H 22 8.108 8.108 8.455 -0.347 19549 5194 1 20 . 1 1 23 23 LEU N N 23 129.578 129.578 128.674 0.904 19549 5195 1 20 . 1 1 23 23 LEU HA H 23 4.594 4.594 4.315 0.279 19549 5196 1 20 . 1 1 23 23 LEU CA C 23 56.030 56.030 56.054 -0.024 19549 5197 1 20 . 1 1 23 23 LEU CB C 23 42.217 42.217 41.763 0.454 19549 5198 1 20 . 1 1 23 23 LEU H H 23 8.756 8.756 8.372 0.384 19549 5199 1 20 . 1 1 24 24 GLY N N 24 104.272 104.272 104.652 -0.380 19549 5200 1 20 . 1 1 24 24 GLY CA C 24 45.970 45.970 44.905 1.065 19549 5201 1 20 . 1 1 24 24 GLY H H 24 7.514 7.514 7.607 -0.093 19549 5202 1 20 . 1 1 25 25 VAL N N 25 120.134 120.134 115.957 4.177 19549 5203 1 20 . 1 1 25 25 VAL HA H 25 4.647 4.647 4.911 -0.264 19549 5204 1 20 . 1 1 25 25 VAL CA C 25 61.531 61.531 58.614 2.917 19549 5205 1 20 . 1 1 25 25 VAL CB C 25 35.904 35.904 35.831 0.073 19549 5206 1 20 . 1 1 25 25 VAL H H 25 8.395 8.395 8.285 0.110 19549 5207 1 20 . 1 1 26 26 SER N N 26 121.285 121.285 117.646 3.639 19549 5208 1 20 . 1 1 26 26 SER HA H 26 4.603 4.603 4.662 -0.059 19549 5209 1 20 . 1 1 26 26 SER CA C 26 54.493 54.493 57.902 -3.409 19549 5210 1 20 . 1 1 26 26 SER CB C 26 63.660 63.660 63.648 0.012 19549 5211 1 20 . 1 1 26 26 SER H H 26 8.572 8.572 8.736 -0.164 19549 5212 1 20 . 1 1 27 27 GLY N N 27 118.284 118.284 117.349 0.935 19549 5213 1 20 . 1 1 27 27 GLY CA C 27 47.497 47.497 46.450 1.047 19549 5214 1 20 . 1 1 27 27 GLY H H 27 9.023 9.023 8.674 0.349 19549 5215 1 20 . 1 1 28 28 GLN N N 28 124.451 124.451 123.110 1.341 19549 5216 1 20 . 1 1 28 28 GLN HA H 28 4.279 4.279 4.514 -0.235 19549 5217 1 20 . 1 1 28 28 GLN CA C 28 55.059 55.059 55.471 -0.412 19549 5218 1 20 . 1 1 28 28 GLN CB C 28 29.318 29.318 29.549 -0.231 19549 5219 1 20 . 1 1 28 28 GLN H H 28 8.677 8.677 8.483 0.194 19549 5220 1 20 . 1 1 29 29 GLN N N 29 117.498 117.498 120.656 -3.158 19549 5221 1 20 . 1 1 29 29 GLN HA H 29 4.634 4.634 4.401 0.233 19549 5222 1 20 . 1 1 29 29 GLN CA C 29 55.294 55.294 56.363 -1.069 19549 5223 1 20 . 1 1 29 29 GLN CB C 29 31.664 31.664 29.913 1.752 19549 5224 1 20 . 1 1 29 29 GLN H H 29 8.008 8.008 7.745 0.263 19549 5225 1 20 . 1 1 30 30 VAL N N 30 124.525 124.525 122.747 1.778 19549 5226 1 20 . 1 1 30 30 VAL HA H 30 4.529 4.529 4.504 0.025 19549 5227 1 20 . 1 1 30 30 VAL CA C 30 60.568 60.568 61.120 -0.552 19549 5228 1 20 . 1 1 30 30 VAL CB C 30 34.606 34.606 33.940 0.666 19549 5229 1 20 . 1 1 30 30 VAL H H 30 9.147 9.147 8.437 0.710 19549 5230 1 20 . 1 1 31 31 ARG N N 31 128.593 128.593 128.897 -0.304 19549 5231 1 20 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.442 0.195 19549 5232 1 20 . 1 1 31 31 ARG CA C 31 55.501 55.501 55.847 -0.346 19549 5233 1 20 . 1 1 31 31 ARG CB C 31 31.889 31.889 31.201 0.688 19549 5234 1 20 . 1 1 31 31 ARG H H 31 8.690 8.690 8.692 -0.002 19549 5235 1 20 . 1 1 32 32 ILE N N 32 127.666 127.666 123.406 4.260 19549 5236 1 20 . 1 1 32 32 ILE HA H 32 4.613 4.613 4.918 -0.305 19549 5237 1 20 . 1 1 32 32 ILE CA C 32 59.838 59.838 59.412 0.426 19549 5238 1 20 . 1 1 32 32 ILE CB C 32 41.183 41.183 42.254 -1.071 19549 5239 1 20 . 1 1 32 32 ILE H H 32 9.114 9.114 8.377 0.737 19549 5240 1 20 . 1 1 33 33 GLY N N 33 112.830 112.830 111.185 1.645 19549 5241 1 20 . 1 1 33 33 GLY CA C 33 44.730 44.730 43.853 0.877 19549 5242 1 20 . 1 1 33 33 GLY H H 33 9.177 9.177 8.982 0.195 19549 5243 1 20 . 1 1 34 34 ILE N N 34 125.226 125.226 120.244 4.982 19549 5244 1 20 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.786 0.017 19549 5245 1 20 . 1 1 34 34 ILE CA C 34 61.001 61.001 60.373 0.627 19549 5246 1 20 . 1 1 34 34 ILE CB C 34 41.080 41.080 42.506 -1.426 19549 5247 1 20 . 1 1 34 34 ILE H H 34 9.637 9.637 8.202 1.435 19549 5248 1 20 . 1 1 35 35 ASN N N 35 129.590 129.590 124.172 5.418 19549 5249 1 20 . 1 1 35 35 ASN HA H 35 5.094 5.094 4.987 0.107 19549 5250 1 20 . 1 1 35 35 ASN CA C 35 52.185 52.185 52.745 -0.560 19549 5251 1 20 . 1 1 35 35 ASN CB C 35 40.108 40.108 40.895 -0.787 19549 5252 1 20 . 1 1 35 35 ASN H H 35 9.029 9.029 8.792 0.237 19549 5253 1 20 . 1 1 36 36 ALA N N 36 125.688 125.688 128.097 -2.409 19549 5254 1 20 . 1 1 36 36 ALA HA H 36 5.063 5.063 5.233 -0.170 19549 5255 1 20 . 1 1 36 36 ALA CA C 36 49.365 49.365 49.553 -0.188 19549 5256 1 20 . 1 1 36 36 ALA CB C 36 19.873 19.873 20.998 -1.125 19549 5257 1 20 . 1 1 36 36 ALA H H 36 8.208 8.208 8.175 0.033 19549 5258 1 20 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.580 -0.165 19549 5259 1 20 . 1 1 37 37 PRO CA C 37 62.916 62.916 62.258 0.658 19549 5260 1 20 . 1 1 37 37 PRO CB C 37 32.477 32.477 32.272 0.206 19549 5261 1 20 . 1 1 38 38 LYS N N 38 121.103 121.103 120.535 0.568 19549 5262 1 20 . 1 1 38 38 LYS HA H 38 3.825 3.825 4.174 -0.349 19549 5263 1 20 . 1 1 38 38 LYS CA C 38 58.927 58.927 57.592 1.335 19549 5264 1 20 . 1 1 38 38 LYS CB C 38 32.014 32.014 31.894 0.120 19549 5265 1 20 . 1 1 38 38 LYS H H 38 8.550 8.550 8.537 0.013 19549 5266 1 20 . 1 1 39 39 ASP N N 39 113.829 113.829 119.181 -5.352 19549 5267 1 20 . 1 1 39 39 ASP HA H 39 4.374 4.374 4.492 -0.118 19549 5268 1 20 . 1 1 39 39 ASP CA C 39 54.078 54.078 55.140 -1.062 19549 5269 1 20 . 1 1 39 39 ASP CB C 39 39.822 39.822 40.965 -1.143 19549 5270 1 20 . 1 1 39 39 ASP H H 39 8.143 8.143 8.429 -0.286 19549 5271 1 20 . 1 1 40 40 VAL N N 40 122.624 122.624 114.673 7.951 19549 5272 1 20 . 1 1 40 40 VAL HA H 40 3.980 3.980 4.462 -0.482 19549 5273 1 20 . 1 1 40 40 VAL CA C 40 62.040 62.040 59.759 2.281 19549 5274 1 20 . 1 1 40 40 VAL CB C 40 31.928 31.928 35.110 -3.182 19549 5275 1 20 . 1 1 40 40 VAL H H 40 8.020 8.020 7.375 0.645 19549 5276 1 20 . 1 1 41 41 ALA N N 41 133.718 133.718 124.435 9.283 19549 5277 1 20 . 1 1 41 41 ALA HA H 41 4.474 4.474 4.893 -0.419 19549 5278 1 20 . 1 1 41 41 ALA CA C 41 52.263 52.263 51.111 1.151 19549 5279 1 20 . 1 1 41 41 ALA CB C 41 19.155 19.155 20.254 -1.099 19549 5280 1 20 . 1 1 41 41 ALA H H 41 8.897 8.897 8.297 0.600 19549 5281 1 20 . 1 1 42 42 VAL N N 42 125.194 125.194 119.932 5.262 19549 5282 1 20 . 1 1 42 42 VAL HA H 42 4.434 4.434 4.278 0.156 19549 5283 1 20 . 1 1 42 42 VAL CA C 42 60.771 60.771 61.604 -0.833 19549 5284 1 20 . 1 1 42 42 VAL CB C 42 33.599 33.599 33.205 0.394 19549 5285 1 20 . 1 1 42 42 VAL H H 42 7.847 7.847 7.829 0.018 19549 5286 1 20 . 1 1 43 43 HIS N N 43 118.938 118.938 124.126 -5.188 19549 5287 1 20 . 1 1 43 43 HIS HA H 43 5.566 5.566 4.975 0.591 19549 5288 1 20 . 1 1 43 43 HIS CA C 43 53.931 53.931 55.221 -1.290 19549 5289 1 20 . 1 1 43 43 HIS CB C 43 37.649 37.649 31.735 5.914 19549 5290 1 20 . 1 1 43 43 HIS H H 43 8.644 8.644 8.307 0.337 19549 5291 1 20 . 1 1 44 44 ARG N N 44 122.301 122.301 121.230 1.071 19549 5292 1 20 . 1 1 44 44 ARG HA H 44 3.970 3.970 4.382 -0.412 19549 5293 1 20 . 1 1 44 44 ARG CA C 44 58.580 58.580 55.752 2.828 19549 5294 1 20 . 1 1 44 44 ARG H H 44 8.828 8.828 8.712 0.116 19549 5295 1 20 . 1 1 45 45 GLU N N 45 126.010 126.010 122.240 3.770 19549 5296 1 20 . 1 1 45 45 GLU HA H 45 4.417 4.417 4.012 0.405 19549 5297 1 20 . 1 1 45 45 GLU CA C 45 59.945 59.945 59.702 0.243 19549 5298 1 20 . 1 1 45 45 GLU CB C 45 29.981 29.981 29.651 0.330 19549 5299 1 20 . 1 1 45 45 GLU H H 45 7.895 7.895 8.873 -0.978 19549 5300 1 20 . 1 1 46 46 GLU N N 46 118.177 118.177 117.991 0.186 19549 5301 1 20 . 1 1 46 46 GLU HA H 46 4.269 4.269 4.142 0.127 19549 5302 1 20 . 1 1 46 46 GLU CA C 46 58.726 58.726 59.116 -0.390 19549 5303 1 20 . 1 1 46 46 GLU CB C 46 27.085 27.085 29.476 -2.391 19549 5304 1 20 . 1 1 46 46 GLU H H 46 10.765 10.765 8.682 2.083 19549 5305 1 20 . 1 1 47 47 ILE N N 47 122.543 122.543 118.010 4.533 19549 5306 1 20 . 1 1 47 47 ILE HA H 47 3.796 3.796 3.990 -0.194 19549 5307 1 20 . 1 1 47 47 ILE CA C 47 61.102 61.102 61.069 0.033 19549 5308 1 20 . 1 1 47 47 ILE CB C 47 35.713 35.713 37.158 -1.445 19549 5309 1 20 . 1 1 47 47 ILE H H 47 7.197 7.197 7.555 -0.358 19549 5310 1 20 . 1 1 48 48 TYR N N 48 122.234 122.234 122.426 -0.192 19549 5311 1 20 . 1 1 48 48 TYR HA H 48 3.655 3.655 3.976 -0.321 19549 5312 1 20 . 1 1 48 48 TYR CA C 48 62.312 62.312 61.781 0.531 19549 5313 1 20 . 1 1 48 48 TYR CB C 48 39.249 39.249 38.178 1.071 19549 5314 1 20 . 1 1 48 48 TYR H H 48 8.134 8.134 8.604 -0.470 19549 5315 1 20 . 1 1 49 49 GLN N N 49 115.293 115.293 115.807 -0.514 19549 5316 1 20 . 1 1 49 49 GLN HA H 49 3.856 3.856 4.034 -0.178 19549 5317 1 20 . 1 1 49 49 GLN CA C 49 58.599 58.599 58.078 0.521 19549 5318 1 20 . 1 1 49 49 GLN CB C 49 28.265 28.265 28.413 -0.148 19549 5319 1 20 . 1 1 49 49 GLN H H 49 8.658 8.658 8.034 0.624 19549 5320 1 20 . 1 1 50 50 ARG N N 50 120.188 120.188 118.337 1.851 19549 5321 1 20 . 1 1 50 50 ARG HA H 50 3.983 3.983 4.176 -0.193 19549 5322 1 20 . 1 1 50 50 ARG CA C 50 59.219 59.219 57.439 1.780 19549 5323 1 20 . 1 1 50 50 ARG CB C 50 30.367 30.367 30.234 0.133 19549 5324 1 20 . 1 1 50 50 ARG H H 50 7.135 7.135 7.735 -0.600 19549 5325 1 20 . 1 1 51 51 ILE N N 51 120.791 120.791 118.286 2.505 19549 5326 1 20 . 1 1 51 51 ILE HA H 51 3.628 3.628 3.811 -0.183 19549 5327 1 20 . 1 1 51 51 ILE CA C 51 64.528 64.528 62.966 1.562 19549 5328 1 20 . 1 1 51 51 ILE CB C 51 38.019 38.019 37.230 0.789 19549 5329 1 20 . 1 1 51 51 ILE H H 51 7.897 7.897 7.301 0.596 19549 5330 1 20 . 1 1 52 52 GLN N N 52 118.963 118.963 116.471 2.492 19549 5331 1 20 . 1 1 52 52 GLN HA H 52 3.808 3.808 4.291 -0.483 19549 5332 1 20 . 1 1 52 52 GLN CA C 52 57.546 57.546 55.421 2.125 19549 5333 1 20 . 1 1 52 52 GLN CB C 52 28.215 28.215 29.334 -1.119 19549 5334 1 20 . 1 1 52 52 GLN H H 52 7.915 7.915 7.467 0.448 19549 5335 1 20 . 1 1 53 53 ALA N N 53 120.242 120.242 119.844 0.398 19549 5336 1 20 . 1 1 53 53 ALA HA H 53 4.190 4.190 4.605 -0.415 19549 5337 1 20 . 1 1 53 53 ALA CA C 53 53.069 53.069 52.367 0.702 19549 5338 1 20 . 1 1 53 53 ALA CB C 53 18.757 18.757 20.746 -1.989 19549 5339 1 20 . 1 1 53 53 ALA H H 53 7.558 7.558 7.782 -0.224 19549 5340 1 20 . 1 1 54 54 GLY N N 54 105.982 105.982 106.542 -0.560 19549 5341 1 20 . 1 1 54 54 GLY CA C 54 45.670 45.670 45.506 0.164 19549 5342 1 20 . 1 1 54 54 GLY H H 54 7.714 7.714 7.962 -0.248 19549 5343 1 20 . 1 1 55 55 LEU N N 55 120.632 120.632 119.016 1.616 19549 5344 1 20 . 1 1 55 55 LEU HA H 55 4.320 4.320 4.015 0.305 19549 5345 1 20 . 1 1 55 55 LEU CA C 55 55.352 55.352 55.714 -0.362 19549 5346 1 20 . 1 1 55 55 LEU CB C 55 42.303 42.303 41.339 0.964 19549 5347 1 20 . 1 1 55 55 LEU H H 55 7.725 7.725 8.318 -0.593 19549 5348 1 20 . 1 1 56 56 THR N N 56 113.330 113.330 110.744 2.586 19549 5349 1 20 . 1 1 56 56 THR HA H 56 4.258 4.258 4.369 -0.111 19549 5350 1 20 . 1 1 56 56 THR CA C 56 61.410 61.410 62.277 -0.867 19549 5351 1 20 . 1 1 56 56 THR CB C 56 70.101 70.101 69.688 0.413 19549 5352 1 20 . 1 1 56 56 THR H H 56 7.902 7.902 8.005 -0.103 19549 5353 1 20 . 1 1 57 57 ALA N N 57 127.054 127.054 123.842 3.212 19549 5354 1 20 . 1 1 57 57 ALA HA H 57 4.475 4.475 4.646 -0.172 19549 5355 1 20 . 1 1 57 57 ALA CA C 57 50.560 50.560 50.895 -0.335 19549 5356 1 20 . 1 1 57 57 ALA CB C 57 18.502 18.502 20.082 -1.580 19549 5357 1 20 . 1 1 57 57 ALA H H 57 8.050 8.050 7.603 0.447 19549 5358 1 20 . 1 1 58 58 PRO HA H 58 4.269 4.269 4.233 0.036 19549 5359 1 20 . 1 1 58 58 PRO CA C 58 63.723 63.723 63.898 -0.175 19549 5360 1 20 . 1 1 58 58 PRO CB C 58 31.907 31.907 32.180 -0.273 19549 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 3.522 -1.460 3.234 19549 2 1 1 "Average Difference" HA 63 0.354 0.006 0.356 19549 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19549 4 1 1 "Average Difference" CA 57 1.111 -0.269 1.087 19549 5 1 1 "Average Difference" CB 50 1.852 0.119 1.867 19549 6 1 1 "Average Difference" HN 55 0.668 -0.277 0.614 19549 7 1 2 "Average Difference" N 55 3.520 -1.536 3.196 19549 8 1 2 "Average Difference" HA 63 0.348 -0.005 0.351 19549 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19549 10 1 2 "Average Difference" CA 57 1.282 -0.225 1.273 19549 11 1 2 "Average Difference" CB 50 1.822 0.125 1.836 19549 12 1 2 "Average Difference" HN 55 0.671 -0.273 0.619 19549 13 1 3 "Average Difference" N 55 3.365 -1.513 3.033 19549 14 1 3 "Average Difference" HA 63 0.336 0.011 0.338 19549 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19549 16 1 3 "Average Difference" CA 57 1.145 -0.272 1.122 19549 17 1 3 "Average Difference" CB 50 1.711 0.182 1.719 19549 18 1 3 "Average Difference" HN 55 0.643 -0.249 0.599 19549 19 1 4 "Average Difference" N 55 3.472 -1.511 3.154 19549 20 1 4 "Average Difference" HA 63 0.354 -0.001 0.357 19549 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19549 22 1 4 "Average Difference" CA 57 1.227 -0.260 1.210 19549 23 1 4 "Average Difference" CB 50 1.810 0.182 1.819 19549 24 1 4 "Average Difference" HN 55 0.686 -0.272 0.636 19549 25 1 5 "Average Difference" N 55 3.487 -1.645 3.103 19549 26 1 5 "Average Difference" HA 63 0.366 0.011 0.369 19549 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19549 28 1 5 "Average Difference" CA 57 1.188 -0.318 1.155 19549 29 1 5 "Average Difference" CB 50 1.860 0.220 1.866 19549 30 1 5 "Average Difference" HN 55 0.669 -0.260 0.622 19549 31 1 6 "Average Difference" N 55 3.393 -1.467 3.088 19549 32 1 6 "Average Difference" HA 63 0.339 -0.001 0.342 19549 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19549 34 1 6 "Average Difference" CA 57 1.175 -0.279 1.151 19549 35 1 6 "Average Difference" CB 50 1.854 0.115 1.869 19549 36 1 6 "Average Difference" HN 55 0.673 -0.277 0.619 19549 37 1 7 "Average Difference" N 55 3.391 -1.545 3.046 19549 38 1 7 "Average Difference" HA 63 0.351 -0.004 0.354 19549 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19549 40 1 7 "Average Difference" CA 57 1.198 -0.277 1.176 19549 41 1 7 "Average Difference" CB 50 1.793 0.190 1.801 19549 42 1 7 "Average Difference" HN 55 0.649 -0.259 0.600 19549 43 1 8 "Average Difference" N 55 3.475 -1.577 3.125 19549 44 1 8 "Average Difference" HA 63 0.357 -0.006 0.360 19549 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19549 46 1 8 "Average Difference" CA 57 1.166 -0.250 1.149 19549 47 1 8 "Average Difference" CB 50 1.783 0.212 1.788 19549 48 1 8 "Average Difference" HN 55 0.644 -0.261 0.594 19549 49 1 9 "Average Difference" N 55 3.452 -1.468 3.154 19549 50 1 9 "Average Difference" HA 63 0.353 0.000 0.356 19549 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19549 52 1 9 "Average Difference" CA 57 1.144 -0.234 1.129 19549 53 1 9 "Average Difference" CB 50 1.799 0.135 1.812 19549 54 1 9 "Average Difference" HN 55 0.668 -0.246 0.627 19549 55 1 10 "Average Difference" N 55 3.523 -1.572 3.182 19549 56 1 10 "Average Difference" HA 63 0.363 0.006 0.366 19549 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19549 58 1 10 "Average Difference" CA 57 1.176 -0.303 1.147 19549 59 1 10 "Average Difference" CB 50 1.793 0.181 1.801 19549 60 1 10 "Average Difference" HN 55 0.677 -0.270 0.627 19549 61 1 11 "Average Difference" N 55 3.479 -1.523 3.157 19549 62 1 11 "Average Difference" HA 63 0.356 0.009 0.359 19549 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19549 64 1 11 "Average Difference" CA 57 1.152 -0.273 1.129 19549 65 1 11 "Average Difference" CB 50 1.807 0.146 1.819 19549 66 1 11 "Average Difference" HN 55 0.647 -0.250 0.602 19549 67 1 12 "Average Difference" N 55 3.504 -1.578 3.157 19549 68 1 12 "Average Difference" HA 63 0.352 -0.011 0.354 19549 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19549 70 1 12 "Average Difference" CA 57 1.227 -0.211 1.220 19549 71 1 12 "Average Difference" CB 50 1.827 0.127 1.841 19549 72 1 12 "Average Difference" HN 55 0.642 -0.245 0.599 19549 73 1 13 "Average Difference" N 55 3.488 -1.629 3.112 19549 74 1 13 "Average Difference" HA 63 0.354 0.006 0.357 19549 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19549 76 1 13 "Average Difference" CA 57 1.170 -0.264 1.150 19549 77 1 13 "Average Difference" CB 50 1.799 0.119 1.813 19549 78 1 13 "Average Difference" HN 55 0.680 -0.273 0.629 19549 79 1 14 "Average Difference" N 55 3.526 -1.537 3.203 19549 80 1 14 "Average Difference" HA 63 0.353 -0.001 0.356 19549 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19549 82 1 14 "Average Difference" CA 57 1.180 -0.277 1.157 19549 83 1 14 "Average Difference" CB 50 1.878 0.151 1.891 19549 84 1 14 "Average Difference" HN 55 0.686 -0.269 0.637 19549 85 1 15 "Average Difference" N 55 3.623 -1.483 3.336 19549 86 1 15 "Average Difference" HA 63 0.342 -0.013 0.345 19549 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19549 88 1 15 "Average Difference" CA 57 1.164 -0.188 1.159 19549 89 1 15 "Average Difference" CB 50 1.899 0.085 1.916 19549 90 1 15 "Average Difference" HN 55 0.664 -0.270 0.612 19549 91 1 16 "Average Difference" N 55 3.373 -1.277 3.150 19549 92 1 16 "Average Difference" HA 63 0.352 -0.000 0.354 19549 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19549 94 1 16 "Average Difference" CA 57 1.159 -0.216 1.149 19549 95 1 16 "Average Difference" CB 50 1.891 0.181 1.901 19549 96 1 16 "Average Difference" HN 55 0.659 -0.242 0.619 19549 97 1 17 "Average Difference" N 55 3.322 -1.376 3.052 19549 98 1 17 "Average Difference" HA 63 0.359 0.003 0.362 19549 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19549 100 1 17 "Average Difference" CA 57 1.175 -0.273 1.154 19549 101 1 17 "Average Difference" CB 50 1.816 0.141 1.829 19549 102 1 17 "Average Difference" HN 55 0.630 -0.244 0.586 19549 103 1 18 "Average Difference" N 55 3.416 -1.489 3.102 19549 104 1 18 "Average Difference" HA 63 0.337 -0.017 0.339 19549 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19549 106 1 18 "Average Difference" CA 57 1.226 -0.197 1.221 19549 107 1 18 "Average Difference" CB 50 1.828 0.152 1.840 19549 108 1 18 "Average Difference" HN 55 0.636 -0.270 0.582 19549 109 1 19 "Average Difference" N 55 3.494 -1.581 3.144 19549 110 1 19 "Average Difference" HA 63 0.338 -0.016 0.341 19549 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19549 112 1 19 "Average Difference" CA 57 1.186 -0.216 1.177 19549 113 1 19 "Average Difference" CB 50 1.780 0.164 1.791 19549 114 1 19 "Average Difference" HN 55 0.668 -0.274 0.614 19549 115 1 20 "Average Difference" N 55 3.462 -1.525 3.136 19549 116 1 20 "Average Difference" HA 63 0.348 0.013 0.350 19549 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19549 118 1 20 "Average Difference" CA 57 1.147 -0.250 1.130 19549 119 1 20 "Average Difference" CB 50 1.742 0.235 1.743 19549 120 1 20 "Average Difference" HN 55 0.659 -0.232 0.622 19549 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 19549 _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 LEU N N 2 124.131 124.131 125.507 -1.376 19549 2 1 . 1 1 2 2 LEU HA H 2 4.628 4.628 5.107 -0.479 19549 3 1 . 1 1 2 2 LEU CA C 2 54.587 54.587 53.930 0.657 19549 4 1 . 1 1 2 2 LEU CB C 2 42.584 42.584 44.845 -2.261 19549 5 1 . 1 1 2 2 LEU H H 2 8.398 8.398 8.826 -0.428 19549 6 1 . 1 1 3 3 ILE N N 3 130.553 130.553 121.579 8.974 19549 7 1 . 1 1 3 3 ILE HA H 3 5.008 5.008 4.412 0.596 19549 8 1 . 1 1 3 3 ILE CA C 3 60.327 60.327 60.980 -0.653 19549 9 1 . 1 1 3 3 ILE CB C 3 38.133 38.133 39.211 -1.078 19549 10 1 . 1 1 3 3 ILE H H 3 10.460 10.460 8.228 2.232 19549 11 1 . 1 1 4 4 LEU N N 4 125.358 125.358 125.185 0.173 19549 12 1 . 1 1 4 4 LEU HA H 4 4.963 4.963 4.752 0.211 19549 13 1 . 1 1 4 4 LEU CA C 4 52.865 52.865 54.085 -1.220 19549 14 1 . 1 1 4 4 LEU CB C 4 46.677 46.677 44.362 2.315 19549 15 1 . 1 1 4 4 LEU H H 4 8.905 8.905 8.251 0.654 19549 16 1 . 1 1 5 5 THR N N 5 116.751 116.751 117.118 -0.367 19549 17 1 . 1 1 5 5 THR HA H 5 5.488 5.488 4.634 0.854 19549 18 1 . 1 1 5 5 THR CA C 5 60.717 60.717 61.828 -1.111 19549 19 1 . 1 1 5 5 THR CB C 5 69.781 69.781 69.252 0.529 19549 20 1 . 1 1 5 5 THR H H 5 9.479 9.479 8.247 1.232 19549 21 1 . 1 1 6 6 ARG N N 6 124.665 124.665 125.232 -0.567 19549 22 1 . 1 1 6 6 ARG HA H 6 4.989 4.989 4.659 0.330 19549 23 1 . 1 1 6 6 ARG CA C 6 55.266 55.266 55.312 -0.047 19549 24 1 . 1 1 6 6 ARG CB C 6 38.593 38.593 32.437 6.156 19549 25 1 . 1 1 6 6 ARG H H 6 9.293 9.293 8.423 0.870 19549 26 1 . 1 1 7 7 LYS N N 7 123.257 123.257 120.994 2.263 19549 27 1 . 1 1 7 7 LYS HA H 7 5.102 5.102 4.644 0.458 19549 28 1 . 1 1 7 7 LYS CA C 7 54.238 54.238 54.962 -0.724 19549 29 1 . 1 1 7 7 LYS CB C 7 34.302 34.302 34.658 -0.356 19549 30 1 . 1 1 7 7 LYS H H 7 9.412 9.412 8.869 0.543 19549 31 1 . 1 1 8 8 VAL N N 8 118.052 118.052 118.273 -0.221 19549 32 1 . 1 1 8 8 VAL HA H 8 3.277 3.277 3.937 -0.660 19549 33 1 . 1 1 8 8 VAL CA C 8 65.940 65.940 63.357 2.583 19549 34 1 . 1 1 8 8 VAL CB C 8 31.648 31.648 31.069 0.579 19549 35 1 . 1 1 8 8 VAL H H 8 7.480 7.480 8.314 -0.834 19549 36 1 . 1 1 9 9 GLY N N 9 115.983 115.983 114.828 1.155 19549 37 1 . 1 1 9 9 GLY CA C 9 44.555 44.555 44.911 -0.356 19549 38 1 . 1 1 9 9 GLY H H 9 9.192 9.192 9.202 -0.010 19549 39 1 . 1 1 10 10 GLU N N 10 119.194 119.194 120.258 -1.064 19549 40 1 . 1 1 10 10 GLU HA H 10 4.886 4.886 4.754 0.132 19549 41 1 . 1 1 10 10 GLU CA C 10 55.870 55.870 54.716 1.154 19549 42 1 . 1 1 10 10 GLU CB C 10 33.038 33.038 32.002 1.036 19549 43 1 . 1 1 10 10 GLU H H 10 8.294 8.294 7.875 0.419 19549 44 1 . 1 1 11 11 SER N N 11 112.576 112.576 113.202 -0.626 19549 45 1 . 1 1 11 11 SER HA H 11 5.875 5.875 5.262 0.613 19549 46 1 . 1 1 11 11 SER CA C 11 58.033 58.033 57.159 0.874 19549 47 1 . 1 1 11 11 SER CB C 11 67.006 67.006 66.220 0.786 19549 48 1 . 1 1 11 11 SER H H 11 8.651 8.651 8.362 0.289 19549 49 1 . 1 1 12 12 ILE N N 12 124.514 124.514 119.940 4.574 19549 50 1 . 1 1 12 12 ILE HA H 12 4.383 4.383 4.520 -0.137 19549 51 1 . 1 1 12 12 ILE CA C 12 60.041 60.041 59.925 0.116 19549 52 1 . 1 1 12 12 ILE CB C 12 42.818 42.818 42.760 0.058 19549 53 1 . 1 1 12 12 ILE H H 12 9.266 9.266 8.796 0.470 19549 54 1 . 1 1 13 13 ASN N N 13 126.280 126.280 120.227 6.053 19549 55 1 . 1 1 13 13 ASN HA H 13 4.991 4.991 5.091 -0.100 19549 56 1 . 1 1 13 13 ASN CA C 13 53.546 53.546 52.500 1.046 19549 57 1 . 1 1 13 13 ASN CB C 13 41.558 41.558 41.788 -0.230 19549 58 1 . 1 1 13 13 ASN H H 13 9.360 9.360 8.450 0.910 19549 59 1 . 1 1 14 14 ILE N N 14 123.986 123.986 120.661 3.325 19549 60 1 . 1 1 14 14 ILE HA H 14 4.439 4.439 4.481 -0.042 19549 61 1 . 1 1 14 14 ILE CA C 14 60.646 60.646 60.587 0.059 19549 62 1 . 1 1 14 14 ILE CB C 14 38.509 38.509 41.702 -3.193 19549 63 1 . 1 1 14 14 ILE H H 14 8.425 8.425 8.395 0.030 19549 64 1 . 1 1 15 15 GLY N N 15 115.388 115.388 112.594 2.794 19549 65 1 . 1 1 15 15 GLY CA C 15 46.004 46.004 46.185 -0.181 19549 66 1 . 1 1 15 15 GLY H H 15 9.067 9.067 8.613 0.454 19549 67 1 . 1 1 16 16 ASP N N 16 120.794 120.794 121.967 -1.173 19549 68 1 . 1 1 16 16 ASP HA H 16 4.958 4.958 4.721 0.238 19549 69 1 . 1 1 16 16 ASP CA C 16 55.353 55.353 54.245 1.108 19549 70 1 . 1 1 16 16 ASP CB C 16 42.388 42.388 41.465 0.923 19549 71 1 . 1 1 16 16 ASP H H 16 8.760 8.760 8.362 0.398 19549 72 1 . 1 1 17 17 ASP N N 17 115.630 115.630 119.740 -4.110 19549 73 1 . 1 1 17 17 ASP HA H 17 4.748 4.748 4.844 -0.096 19549 74 1 . 1 1 17 17 ASP CA C 17 54.200 54.200 53.999 0.201 19549 75 1 . 1 1 17 17 ASP CB C 17 42.610 42.610 43.751 -1.141 19549 76 1 . 1 1 17 17 ASP H H 17 8.159 8.159 7.977 0.182 19549 77 1 . 1 1 18 18 ILE N N 18 118.662 118.662 120.201 -1.539 19549 78 1 . 1 1 18 18 ILE HA H 18 5.229 5.229 5.242 -0.013 19549 79 1 . 1 1 18 18 ILE CA C 18 60.093 60.093 60.176 -0.083 19549 80 1 . 1 1 18 18 ILE CB C 18 39.842 39.842 42.038 -2.196 19549 81 1 . 1 1 18 18 ILE H H 18 7.168 7.168 7.697 -0.529 19549 82 1 . 1 1 19 19 THR N N 19 122.951 122.951 121.030 1.921 19549 83 1 . 1 1 19 19 THR HA H 19 5.125 5.125 4.995 0.130 19549 84 1 . 1 1 19 19 THR CA C 19 60.957 60.957 61.552 -0.595 19549 85 1 . 1 1 19 19 THR CB C 19 71.814 71.814 72.453 -0.639 19549 86 1 . 1 1 19 19 THR H H 19 8.929 8.929 8.796 0.134 19549 87 1 . 1 1 20 20 ILE N N 20 123.522 123.522 121.982 1.540 19549 88 1 . 1 1 20 20 ILE HA H 20 4.929 4.929 4.940 -0.011 19549 89 1 . 1 1 20 20 ILE CA C 20 58.829 58.829 59.259 -0.431 19549 90 1 . 1 1 20 20 ILE CB C 20 40.386 40.386 41.935 -1.549 19549 91 1 . 1 1 20 20 ILE H H 20 8.933 8.933 9.126 -0.193 19549 92 1 . 1 1 21 21 THR N N 21 123.651 123.651 120.120 3.530 19549 93 1 . 1 1 21 21 THR HA H 21 4.830 4.830 4.955 -0.125 19549 94 1 . 1 1 21 21 THR CA C 21 61.581 61.581 61.600 -0.019 19549 95 1 . 1 1 21 21 THR CB C 21 72.037 72.037 72.320 -0.283 19549 96 1 . 1 1 21 21 THR H H 21 9.395 9.395 8.889 0.506 19549 97 1 . 1 1 22 22 ILE N N 22 125.699 125.699 126.710 -1.011 19549 98 1 . 1 1 22 22 ILE HA H 22 4.061 4.061 4.547 -0.486 19549 99 1 . 1 1 22 22 ILE CA C 22 59.160 59.160 58.399 0.761 19549 100 1 . 1 1 22 22 ILE CB C 22 33.845 33.845 38.250 -4.405 19549 101 1 . 1 1 22 22 ILE H H 22 8.108 8.108 8.404 -0.296 19549 102 1 . 1 1 23 23 LEU N N 23 129.578 129.578 129.029 0.549 19549 103 1 . 1 1 23 23 LEU HA H 23 4.594 4.594 4.299 0.295 19549 104 1 . 1 1 23 23 LEU CA C 23 56.030 56.030 56.165 -0.135 19549 105 1 . 1 1 23 23 LEU CB C 23 42.217 42.217 41.827 0.390 19549 106 1 . 1 1 23 23 LEU H H 23 8.756 8.756 8.442 0.314 19549 107 1 . 1 1 24 24 GLY N N 24 104.272 104.272 104.325 -0.053 19549 108 1 . 1 1 24 24 GLY CA C 24 45.970 45.970 44.853 1.117 19549 109 1 . 1 1 24 24 GLY H H 24 7.514 7.514 7.616 -0.102 19549 110 1 . 1 1 25 25 VAL N N 25 120.134 120.134 116.013 4.121 19549 111 1 . 1 1 25 25 VAL HA H 25 4.647 4.647 4.949 -0.302 19549 112 1 . 1 1 25 25 VAL CA C 25 61.531 61.531 58.774 2.757 19549 113 1 . 1 1 25 25 VAL CB C 25 35.904 35.904 35.796 0.108 19549 114 1 . 1 1 25 25 VAL H H 25 8.395 8.395 8.285 0.110 19549 115 1 . 1 1 26 26 SER N N 26 121.285 121.285 117.840 3.445 19549 116 1 . 1 1 26 26 SER HA H 26 4.603 4.603 4.651 -0.048 19549 117 1 . 1 1 26 26 SER CA C 26 54.493 54.493 58.002 -3.509 19549 118 1 . 1 1 26 26 SER CB C 26 63.660 63.660 63.871 -0.211 19549 119 1 . 1 1 26 26 SER H H 26 8.572 8.572 8.763 -0.191 19549 120 1 . 1 1 27 27 GLY N N 27 118.284 118.284 116.308 1.976 19549 121 1 . 1 1 27 27 GLY CA C 27 47.497 47.497 46.284 1.213 19549 122 1 . 1 1 27 27 GLY H H 27 9.023 9.023 8.563 0.460 19549 123 1 . 1 1 28 28 GLN N N 28 124.451 124.451 122.838 1.613 19549 124 1 . 1 1 28 28 GLN HA H 28 4.279 4.279 4.448 -0.169 19549 125 1 . 1 1 28 28 GLN CA C 28 55.059 55.059 55.696 -0.637 19549 126 1 . 1 1 28 28 GLN CB C 28 29.318 29.318 29.476 -0.158 19549 127 1 . 1 1 28 28 GLN H H 28 8.677 8.677 8.538 0.139 19549 128 1 . 1 1 29 29 GLN N N 29 117.498 117.498 120.396 -2.898 19549 129 1 . 1 1 29 29 GLN HA H 29 4.634 4.634 4.380 0.254 19549 130 1 . 1 1 29 29 GLN CA C 29 55.294 55.294 56.402 -1.108 19549 131 1 . 1 1 29 29 GLN CB C 29 31.664 31.664 29.897 1.767 19549 132 1 . 1 1 29 29 GLN H H 29 8.008 8.008 7.709 0.299 19549 133 1 . 1 1 30 30 VAL N N 30 124.525 124.525 122.509 2.016 19549 134 1 . 1 1 30 30 VAL HA H 30 4.529 4.529 4.458 0.071 19549 135 1 . 1 1 30 30 VAL CA C 30 60.568 60.568 61.445 -0.877 19549 136 1 . 1 1 30 30 VAL CB C 30 34.606 34.606 33.854 0.752 19549 137 1 . 1 1 30 30 VAL H H 30 9.147 9.147 8.381 0.766 19549 138 1 . 1 1 31 31 ARG N N 31 128.593 128.593 128.522 0.071 19549 139 1 . 1 1 31 31 ARG HA H 31 4.637 4.637 4.565 0.072 19549 140 1 . 1 1 31 31 ARG CA C 31 55.501 55.501 55.448 0.053 19549 141 1 . 1 1 31 31 ARG CB C 31 31.889 31.889 31.182 0.707 19549 142 1 . 1 1 31 31 ARG H H 31 8.690 8.690 8.701 -0.011 19549 143 1 . 1 1 32 32 ILE N N 32 127.666 127.666 123.296 4.370 19549 144 1 . 1 1 32 32 ILE HA H 32 4.613 4.613 4.900 -0.287 19549 145 1 . 1 1 32 32 ILE CA C 32 59.838 59.838 59.411 0.427 19549 146 1 . 1 1 32 32 ILE CB C 32 41.183 41.183 42.115 -0.932 19549 147 1 . 1 1 32 32 ILE H H 32 9.114 9.114 8.395 0.719 19549 148 1 . 1 1 33 33 GLY N N 33 112.830 112.830 111.228 1.602 19549 149 1 . 1 1 33 33 GLY CA C 33 44.730 44.730 43.844 0.886 19549 150 1 . 1 1 33 33 GLY H H 33 9.177 9.177 8.949 0.229 19549 151 1 . 1 1 34 34 ILE N N 34 125.226 125.226 120.133 5.093 19549 152 1 . 1 1 34 34 ILE HA H 34 4.803 4.803 4.762 0.041 19549 153 1 . 1 1 34 34 ILE CA C 34 61.001 61.001 60.422 0.579 19549 154 1 . 1 1 34 34 ILE CB C 34 41.080 41.080 42.466 -1.386 19549 155 1 . 1 1 34 34 ILE H H 34 9.637 9.637 8.195 1.442 19549 156 1 . 1 1 35 35 ASN N N 35 129.590 129.590 124.272 5.318 19549 157 1 . 1 1 35 35 ASN HA H 35 5.094 5.094 4.985 0.109 19549 158 1 . 1 1 35 35 ASN CA C 35 52.185 52.185 52.648 -0.463 19549 159 1 . 1 1 35 35 ASN CB C 35 40.108 40.108 40.788 -0.680 19549 160 1 . 1 1 35 35 ASN H H 35 9.029 9.029 8.816 0.213 19549 161 1 . 1 1 36 36 ALA N N 36 125.688 125.688 128.078 -2.390 19549 162 1 . 1 1 36 36 ALA HA H 36 5.063 5.063 5.229 -0.166 19549 163 1 . 1 1 36 36 ALA CA C 36 49.365 49.365 49.513 -0.148 19549 164 1 . 1 1 36 36 ALA CB C 36 19.873 19.873 21.007 -1.134 19549 165 1 . 1 1 36 36 ALA H H 36 8.208 8.208 8.159 0.050 19549 166 1 . 1 1 37 37 PRO HA H 37 4.415 4.415 4.562 -0.147 19549 167 1 . 1 1 37 37 PRO CA C 37 62.916 62.916 62.237 0.679 19549 168 1 . 1 1 37 37 PRO CB C 37 32.477 32.477 32.379 0.098 19549 169 1 . 1 1 38 38 LYS N N 38 121.103 121.103 120.458 0.645 19549 170 1 . 1 1 38 38 LYS HA H 38 3.825 3.825 4.130 -0.305 19549 171 1 . 1 1 38 38 LYS CA C 38 58.927 58.927 57.651 1.276 19549 172 1 . 1 1 38 38 LYS CB C 38 32.014 32.014 31.852 0.162 19549 173 1 . 1 1 38 38 LYS H H 38 8.550 8.550 8.522 0.028 19549 174 1 . 1 1 39 39 ASP N N 39 113.829 113.829 118.850 -5.021 19549 175 1 . 1 1 39 39 ASP HA H 39 4.374 4.374 4.505 -0.131 19549 176 1 . 1 1 39 39 ASP CA C 39 54.078 54.078 54.993 -0.915 19549 177 1 . 1 1 39 39 ASP CB C 39 39.822 39.822 41.030 -1.208 19549 178 1 . 1 1 39 39 ASP H H 39 8.143 8.143 8.308 -0.165 19549 179 1 . 1 1 40 40 VAL N N 40 122.624 122.624 114.562 8.062 19549 180 1 . 1 1 40 40 VAL HA H 40 3.980 3.980 4.469 -0.489 19549 181 1 . 1 1 40 40 VAL CA C 40 62.040 62.040 59.717 2.323 19549 182 1 . 1 1 40 40 VAL CB C 40 31.928 31.928 35.243 -3.315 19549 183 1 . 1 1 40 40 VAL H H 40 8.020 8.020 7.446 0.574 19549 184 1 . 1 1 41 41 ALA N N 41 133.718 133.718 124.374 9.344 19549 185 1 . 1 1 41 41 ALA HA H 41 4.474 4.474 4.870 -0.396 19549 186 1 . 1 1 41 41 ALA CA C 41 52.263 52.263 51.090 1.173 19549 187 1 . 1 1 41 41 ALA CB C 41 19.155 19.155 20.097 -0.942 19549 188 1 . 1 1 41 41 ALA H H 41 8.897 8.897 8.292 0.605 19549 189 1 . 1 1 42 42 VAL N N 42 125.194 125.194 120.227 4.967 19549 190 1 . 1 1 42 42 VAL HA H 42 4.434 4.434 4.280 0.154 19549 191 1 . 1 1 42 42 VAL CA C 42 60.771 60.771 61.551 -0.780 19549 192 1 . 1 1 42 42 VAL CB C 42 33.599 33.599 33.096 0.503 19549 193 1 . 1 1 42 42 VAL H H 42 7.847 7.847 7.869 -0.022 19549 194 1 . 1 1 43 43 HIS N N 43 118.938 118.938 124.105 -5.167 19549 195 1 . 1 1 43 43 HIS HA H 43 5.566 5.566 4.931 0.635 19549 196 1 . 1 1 43 43 HIS CA C 43 53.931 53.931 55.246 -1.315 19549 197 1 . 1 1 43 43 HIS CB C 43 37.649 37.649 31.778 5.871 19549 198 1 . 1 1 43 43 HIS H H 43 8.644 8.644 8.337 0.307 19549 199 1 . 1 1 44 44 ARG N N 44 122.301 122.301 121.386 0.915 19549 200 1 . 1 1 44 44 ARG HA H 44 3.970 3.970 4.374 -0.404 19549 201 1 . 1 1 44 44 ARG CA C 44 58.580 58.580 55.902 2.678 19549 202 1 . 1 1 44 44 ARG H H 44 8.828 8.828 8.650 0.178 19549 203 1 . 1 1 45 45 GLU N N 45 126.010 126.010 122.129 3.881 19549 204 1 . 1 1 45 45 GLU HA H 45 4.417 4.417 4.029 0.388 19549 205 1 . 1 1 45 45 GLU CA C 45 59.945 59.945 59.406 0.539 19549 206 1 . 1 1 45 45 GLU CB C 45 29.981 29.981 29.517 0.464 19549 207 1 . 1 1 45 45 GLU H H 45 7.895 7.895 8.934 -1.039 19549 208 1 . 1 1 46 46 GLU N N 46 118.177 118.177 118.771 -0.594 19549 209 1 . 1 1 46 46 GLU HA H 46 4.269 4.269 4.160 0.109 19549 210 1 . 1 1 46 46 GLU CA C 46 58.726 58.726 59.100 -0.374 19549 211 1 . 1 1 46 46 GLU CB C 46 27.085 27.085 29.256 -2.171 19549 212 1 . 1 1 46 46 GLU H H 46 10.765 10.765 8.616 2.149 19549 213 1 . 1 1 47 47 ILE N N 47 122.543 122.543 119.162 3.381 19549 214 1 . 1 1 47 47 ILE HA H 47 3.796 3.796 3.916 -0.120 19549 215 1 . 1 1 47 47 ILE CA C 47 61.102 61.102 62.198 -1.096 19549 216 1 . 1 1 47 47 ILE CB C 47 35.713 35.713 37.345 -1.632 19549 217 1 . 1 1 47 47 ILE H H 47 7.197 7.197 7.561 -0.364 19549 218 1 . 1 1 48 48 TYR N N 48 122.234 122.234 121.917 0.317 19549 219 1 . 1 1 48 48 TYR HA H 48 3.655 3.655 4.005 -0.350 19549 220 1 . 1 1 48 48 TYR CA C 48 62.312 62.312 61.925 0.387 19549 221 1 . 1 1 48 48 TYR CB C 48 39.249 39.249 38.230 1.019 19549 222 1 . 1 1 48 48 TYR H H 48 8.134 8.134 8.351 -0.217 19549 223 1 . 1 1 49 49 GLN N N 49 115.293 115.293 116.387 -1.094 19549 224 1 . 1 1 49 49 GLN HA H 49 3.856 3.856 4.041 -0.185 19549 225 1 . 1 1 49 49 GLN CA C 49 58.599 58.599 58.160 0.440 19549 226 1 . 1 1 49 49 GLN CB C 49 28.265 28.265 28.484 -0.219 19549 227 1 . 1 1 49 49 GLN H H 49 8.658 8.658 7.888 0.770 19549 228 1 . 1 1 50 50 ARG N N 50 120.188 120.188 117.335 2.853 19549 229 1 . 1 1 50 50 ARG HA H 50 3.983 3.983 4.178 -0.195 19549 230 1 . 1 1 50 50 ARG CA C 50 59.219 59.219 57.495 1.724 19549 231 1 . 1 1 50 50 ARG CB C 50 30.367 30.367 30.193 0.174 19549 232 1 . 1 1 50 50 ARG H H 50 7.135 7.135 7.642 -0.507 19549 233 1 . 1 1 51 51 ILE N N 51 120.791 120.791 118.754 2.037 19549 234 1 . 1 1 51 51 ILE HA H 51 3.628 3.628 3.899 -0.271 19549 235 1 . 1 1 51 51 ILE CA C 51 64.528 64.528 63.070 1.458 19549 236 1 . 1 1 51 51 ILE CB C 51 38.019 38.019 38.224 -0.205 19549 237 1 . 1 1 51 51 ILE H H 51 7.897 7.897 7.248 0.649 19549 238 1 . 1 1 52 52 GLN N N 52 118.963 118.963 118.134 0.829 19549 239 1 . 1 1 52 52 GLN HA H 52 3.808 3.808 4.053 -0.245 19549 240 1 . 1 1 52 52 GLN CA C 52 57.546 57.546 56.176 1.370 19549 241 1 . 1 1 52 52 GLN CB C 52 28.215 28.215 27.579 0.636 19549 242 1 . 1 1 52 52 GLN H H 52 7.915 7.915 7.652 0.263 19549 243 1 . 1 1 53 53 ALA N N 53 120.242 120.242 120.511 -0.269 19549 244 1 . 1 1 53 53 ALA HA H 53 4.190 4.190 4.245 -0.055 19549 245 1 . 1 1 53 53 ALA CA C 53 53.069 53.069 52.763 0.306 19549 246 1 . 1 1 53 53 ALA CB C 53 18.757 18.757 19.127 -0.370 19549 247 1 . 1 1 53 53 ALA H H 53 7.558 7.558 7.715 -0.157 19549 248 1 . 1 1 54 54 GLY N N 54 105.982 105.982 104.842 1.140 19549 249 1 . 1 1 54 54 GLY CA C 54 45.670 45.670 45.002 0.668 19549 250 1 . 1 1 54 54 GLY H H 54 7.714 7.714 7.764 -0.050 19549 251 1 . 1 1 55 55 LEU N N 55 120.632 120.632 117.195 3.437 19549 252 1 . 1 1 55 55 LEU HA H 55 4.320 4.320 4.819 -0.499 19549 253 1 . 1 1 55 55 LEU CA C 55 55.352 55.352 54.339 1.013 19549 254 1 . 1 1 55 55 LEU CB C 55 42.303 42.303 42.676 -0.373 19549 255 1 . 1 1 55 55 LEU H H 55 7.725 7.725 7.904 -0.179 19549 256 1 . 1 1 56 56 THR N N 56 113.330 113.330 111.922 1.408 19549 257 1 . 1 1 56 56 THR HA H 56 4.258 4.258 4.311 -0.053 19549 258 1 . 1 1 56 56 THR CA C 56 61.410 61.410 62.558 -1.148 19549 259 1 . 1 1 56 56 THR CB C 56 70.101 70.101 69.209 0.892 19549 260 1 . 1 1 56 56 THR H H 56 7.902 7.902 8.230 -0.328 19549 261 1 . 1 1 57 57 ALA N N 57 127.054 127.054 123.901 3.153 19549 262 1 . 1 1 57 57 ALA HA H 57 4.475 4.475 4.664 -0.189 19549 263 1 . 1 1 57 57 ALA CA C 57 50.560 50.560 50.586 -0.026 19549 264 1 . 1 1 57 57 ALA CB C 57 18.502 18.502 19.651 -1.149 19549 265 1 . 1 1 57 57 ALA H H 57 8.050 8.050 7.677 0.373 19549 266 1 . 1 1 58 58 PRO HA H 58 4.269 4.269 4.352 -0.082 19549 267 1 . 1 1 58 58 PRO CA C 58 63.723 63.723 62.999 0.724 19549 268 1 . 1 1 58 58 PRO CB C 58 31.907 31.907 32.321 -0.414 19549 stop_ save_