data_25703 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25703 _Entry.PDB_ID 2N5B 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 25703 _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 VAL N N 2 125.982 125.982 120.239 5.743 25703 2 1 1 . 1 1 2 2 VAL HA H 2 4.054 4.054 4.349 -0.295 25703 3 1 1 . 1 1 2 2 VAL CA C 2 61.397 61.397 61.274 0.123 25703 4 1 1 . 1 1 2 2 VAL CB C 2 32.844 32.844 32.709 0.135 25703 5 1 1 . 1 1 2 2 VAL H H 2 8.576 8.576 8.127 0.449 25703 6 1 1 . 1 1 3 3 THR N N 3 126.926 126.926 121.222 5.704 25703 7 1 1 . 1 1 3 3 THR HA H 3 4.120 4.120 4.527 -0.407 25703 8 1 1 . 1 1 3 3 THR C C 3 172.671 172.671 173.445 -0.774 25703 9 1 1 . 1 1 3 3 THR CA C 3 64.010 64.010 62.793 1.217 25703 10 1 1 . 1 1 3 3 THR CB C 3 70.030 70.030 70.585 -0.555 25703 11 1 1 . 1 1 3 3 THR H H 3 7.787 7.787 8.114 -0.328 25703 12 1 1 . 1 1 4 4 GLN N N 4 128.743 128.743 123.734 5.009 25703 13 1 1 . 1 1 4 4 GLN HA H 4 4.726 4.726 4.689 0.037 25703 14 1 1 . 1 1 4 4 GLN C C 4 176.254 176.254 174.699 1.555 25703 15 1 1 . 1 1 4 4 GLN CA C 4 54.925 54.925 54.257 0.668 25703 16 1 1 . 1 1 4 4 GLN CB C 4 30.039 30.039 30.142 -0.103 25703 17 1 1 . 1 1 4 4 GLN H H 4 8.976 8.976 8.339 0.637 25703 18 1 1 . 1 1 5 5 PHE N N 5 127.295 127.295 125.139 2.156 25703 19 1 1 . 1 1 5 5 PHE HA H 5 4.793 4.793 4.447 0.346 25703 20 1 1 . 1 1 5 5 PHE C C 5 175.627 175.627 176.531 -0.904 25703 21 1 1 . 1 1 5 5 PHE CA C 5 59.080 59.080 56.963 2.117 25703 22 1 1 . 1 1 5 5 PHE CB C 5 41.083 41.083 41.151 -0.068 25703 23 1 1 . 1 1 5 5 PHE H H 5 8.434 8.434 8.345 0.089 25703 24 1 1 . 1 1 6 6 LYS N N 6 120.464 120.464 116.587 3.877 25703 25 1 1 . 1 1 6 6 LYS HA H 6 4.623 4.623 4.456 0.167 25703 26 1 1 . 1 1 6 6 LYS C C 6 176.504 176.504 175.797 0.707 25703 27 1 1 . 1 1 6 6 LYS CA C 6 56.526 56.526 56.523 0.003 25703 28 1 1 . 1 1 6 6 LYS CB C 6 34.660 34.660 33.489 1.171 25703 29 1 1 . 1 1 6 6 LYS H H 6 9.821 9.821 8.667 1.154 25703 30 1 1 . 1 1 7 7 THR N N 7 108.286 108.286 109.233 -0.947 25703 31 1 1 . 1 1 7 7 THR HA H 7 4.738 4.738 4.667 0.071 25703 32 1 1 . 1 1 7 7 THR C C 7 173.410 173.410 174.935 -1.525 25703 33 1 1 . 1 1 7 7 THR CA C 7 59.287 59.287 59.938 -0.651 25703 34 1 1 . 1 1 7 7 THR CB C 7 73.138 73.138 71.869 1.269 25703 35 1 1 . 1 1 7 7 THR H H 7 7.467 7.467 7.449 0.018 25703 36 1 1 . 1 1 8 8 ALA N N 8 125.007 125.007 125.358 -0.351 25703 37 1 1 . 1 1 8 8 ALA HA H 8 3.705 3.705 4.103 -0.398 25703 38 1 1 . 1 1 8 8 ALA C C 8 178.859 178.859 179.399 -0.540 25703 39 1 1 . 1 1 8 8 ALA CA C 8 55.453 55.453 55.244 0.209 25703 40 1 1 . 1 1 8 8 ALA CB C 8 18.689 18.689 18.038 0.651 25703 41 1 1 . 1 1 8 8 ALA H H 8 9.038 9.038 8.868 0.170 25703 42 1 1 . 1 1 9 9 SER N N 9 113.408 113.408 113.970 -0.562 25703 43 1 1 . 1 1 9 9 SER HA H 9 4.124 4.124 4.091 0.033 25703 44 1 1 . 1 1 9 9 SER C C 9 176.575 176.575 176.751 -0.176 25703 45 1 1 . 1 1 9 9 SER CA C 9 61.528 61.528 61.897 -0.369 25703 46 1 1 . 1 1 9 9 SER CB C 9 62.703 62.703 62.009 0.694 25703 47 1 1 . 1 1 9 9 SER H H 9 8.159 8.159 8.536 -0.377 25703 48 1 1 . 1 1 10 10 GLU N N 10 123.005 123.005 121.301 1.704 25703 49 1 1 . 1 1 10 10 GLU HA H 10 3.853 3.853 3.773 0.080 25703 50 1 1 . 1 1 10 10 GLU C C 10 178.294 178.294 178.064 0.230 25703 51 1 1 . 1 1 10 10 GLU CA C 10 59.266 59.266 58.219 1.046 25703 52 1 1 . 1 1 10 10 GLU CB C 10 31.536 31.536 28.677 2.858 25703 53 1 1 . 1 1 10 10 GLU H H 10 7.552 7.552 7.620 -0.069 25703 54 1 1 . 1 1 11 11 PHE N N 11 121.633 121.633 120.291 1.342 25703 55 1 1 . 1 1 11 11 PHE HA H 11 2.864 2.864 3.747 -0.883 25703 56 1 1 . 1 1 11 11 PHE C C 11 176.786 176.786 176.835 -0.049 25703 57 1 1 . 1 1 11 11 PHE CA C 11 61.182 61.182 60.899 0.283 25703 58 1 1 . 1 1 11 11 PHE CB C 11 38.202 38.202 39.335 -1.133 25703 59 1 1 . 1 1 11 11 PHE H H 11 6.632 6.632 7.708 -1.076 25703 60 1 1 . 1 1 12 12 ASP N N 12 118.991 118.991 119.500 -0.509 25703 61 1 1 . 1 1 12 12 ASP HA H 12 3.841 3.841 3.870 -0.029 25703 62 1 1 . 1 1 12 12 ASP C C 12 178.286 178.286 178.433 -0.147 25703 63 1 1 . 1 1 12 12 ASP CA C 12 57.547 57.547 57.732 -0.185 25703 64 1 1 . 1 1 12 12 ASP CB C 12 40.790 40.790 40.646 0.144 25703 65 1 1 . 1 1 12 12 ASP H H 12 7.687 7.687 8.770 -1.083 25703 66 1 1 . 1 1 13 13 SER N N 13 112.966 112.966 114.837 -1.871 25703 67 1 1 . 1 1 13 13 SER HA H 13 4.022 4.022 4.093 -0.071 25703 68 1 1 . 1 1 13 13 SER C C 13 175.827 175.827 175.260 0.567 25703 69 1 1 . 1 1 13 13 SER CA C 13 61.410 61.410 60.940 0.470 25703 70 1 1 . 1 1 13 13 SER CB C 13 63.499 63.499 63.128 0.371 25703 71 1 1 . 1 1 13 13 SER H H 13 7.563 7.563 7.959 -0.396 25703 72 1 1 . 1 1 14 14 ALA N N 14 124.823 124.823 123.123 1.700 25703 73 1 1 . 1 1 14 14 ALA HA H 14 4.025 4.025 4.051 -0.026 25703 74 1 1 . 1 1 14 14 ALA C C 14 179.909 179.909 179.410 0.499 25703 75 1 1 . 1 1 14 14 ALA CA C 14 54.710 54.710 54.493 0.217 25703 76 1 1 . 1 1 14 14 ALA CB C 14 19.286 19.286 18.968 0.318 25703 77 1 1 . 1 1 14 14 ALA H H 14 7.671 7.671 6.997 0.674 25703 78 1 1 . 1 1 15 15 ILE N N 15 108.002 108.002 115.140 -7.138 25703 79 1 1 . 1 1 15 15 ILE HA H 15 3.721 3.721 3.768 -0.047 25703 80 1 1 . 1 1 15 15 ILE C C 15 175.512 175.512 177.002 -1.490 25703 81 1 1 . 1 1 15 15 ILE CA C 15 64.058 64.058 63.952 0.106 25703 82 1 1 . 1 1 15 15 ILE CB C 15 38.277 38.277 37.089 1.188 25703 83 1 1 . 1 1 15 15 ILE H H 15 7.195 7.195 8.118 -0.923 25703 84 1 1 . 1 1 16 16 ALA N N 16 123.051 123.051 121.039 2.012 25703 85 1 1 . 1 1 16 16 ALA HA H 16 4.013 4.013 4.266 -0.253 25703 86 1 1 . 1 1 16 16 ALA C C 16 176.636 176.636 178.067 -1.431 25703 87 1 1 . 1 1 16 16 ALA CA C 16 52.318 52.318 52.585 -0.267 25703 88 1 1 . 1 1 16 16 ALA CB C 16 18.956 18.956 18.541 0.415 25703 89 1 1 . 1 1 16 16 ALA H H 16 6.623 6.623 7.670 -1.047 25703 90 1 1 . 1 1 17 17 GLN N N 17 116.236 116.236 118.170 -1.934 25703 91 1 1 . 1 1 17 17 GLN HA H 17 4.198 4.198 4.216 -0.018 25703 92 1 1 . 1 1 17 17 GLN C C 17 174.965 174.965 175.706 -0.741 25703 93 1 1 . 1 1 17 17 GLN CA C 17 56.422 56.422 55.164 1.258 25703 94 1 1 . 1 1 17 17 GLN CB C 17 34.338 34.338 29.795 4.543 25703 95 1 1 . 1 1 17 17 GLN H H 17 7.140 7.140 7.561 -0.421 25703 96 1 1 . 1 1 18 18 ASP N N 18 123.905 123.905 116.841 7.064 25703 97 1 1 . 1 1 18 18 ASP HA H 18 4.998 4.998 4.706 0.292 25703 98 1 1 . 1 1 18 18 ASP C C 18 174.817 174.817 175.877 -1.060 25703 99 1 1 . 1 1 18 18 ASP CB C 18 39.414 39.414 40.163 -0.749 25703 100 1 1 . 1 1 18 18 ASP H H 18 8.651 8.651 8.729 -0.078 25703 101 1 1 . 1 1 19 19 LYS N N 19 119.499 119.499 117.644 1.855 25703 102 1 1 . 1 1 19 19 LYS HA H 19 4.384 4.384 4.568 -0.184 25703 103 1 1 . 1 1 19 19 LYS C C 19 172.740 172.740 174.607 -1.867 25703 104 1 1 . 1 1 19 19 LYS CA C 19 55.163 55.163 54.340 0.822 25703 105 1 1 . 1 1 19 19 LYS CB C 19 34.721 34.721 35.371 -0.650 25703 106 1 1 . 1 1 19 19 LYS H H 19 7.950 7.950 7.290 0.660 25703 107 1 1 . 1 1 20 20 LEU N N 20 121.877 121.877 124.548 -2.671 25703 108 1 1 . 1 1 20 20 LEU HA H 20 4.972 4.972 4.693 0.279 25703 109 1 1 . 1 1 20 20 LEU C C 20 173.937 173.937 175.242 -1.305 25703 110 1 1 . 1 1 20 20 LEU CA C 20 57.132 57.132 54.755 2.377 25703 111 1 1 . 1 1 20 20 LEU CB C 20 42.012 42.012 41.058 0.954 25703 112 1 1 . 1 1 20 20 LEU H H 20 8.641 8.641 8.755 -0.114 25703 113 1 1 . 1 1 21 21 VAL N N 21 129.812 129.812 128.037 1.775 25703 114 1 1 . 1 1 21 21 VAL HA H 21 4.439 4.439 4.567 -0.128 25703 115 1 1 . 1 1 21 21 VAL C C 21 173.493 173.493 174.578 -1.085 25703 116 1 1 . 1 1 21 21 VAL CA C 21 62.510 62.510 61.310 1.200 25703 117 1 1 . 1 1 21 21 VAL CB C 21 34.732 34.732 33.353 1.379 25703 118 1 1 . 1 1 21 21 VAL H H 21 9.263 9.263 8.889 0.374 25703 119 1 1 . 1 1 22 22 VAL N N 22 131.684 131.684 129.034 2.650 25703 120 1 1 . 1 1 22 22 VAL HA H 22 4.408 4.408 4.976 -0.568 25703 121 1 1 . 1 1 22 22 VAL C C 22 174.331 174.331 174.233 0.098 25703 122 1 1 . 1 1 22 22 VAL CA C 22 61.561 61.561 59.775 1.786 25703 123 1 1 . 1 1 22 22 VAL CB C 22 33.630 33.630 32.794 0.836 25703 124 1 1 . 1 1 22 22 VAL H H 22 9.006 9.006 8.428 0.578 25703 125 1 1 . 1 1 23 23 VAL N N 23 126.475 126.475 130.084 -3.609 25703 126 1 1 . 1 1 23 23 VAL HA H 23 4.422 4.422 5.164 -0.742 25703 127 1 1 . 1 1 23 23 VAL C C 23 174.342 174.342 174.301 0.041 25703 128 1 1 . 1 1 23 23 VAL CA C 23 61.672 61.672 60.162 1.510 25703 129 1 1 . 1 1 23 23 VAL CB C 23 34.042 34.042 34.944 -0.902 25703 130 1 1 . 1 1 23 23 VAL H H 23 9.551 9.551 8.314 1.237 25703 131 1 1 . 1 1 24 24 ALA N N 24 131.649 131.649 127.469 4.180 25703 132 1 1 . 1 1 24 24 ALA HA H 24 4.953 4.953 5.541 -0.588 25703 133 1 1 . 1 1 24 24 ALA C C 24 174.683 174.683 177.200 -2.517 25703 134 1 1 . 1 1 24 24 ALA CA C 24 51.712 51.712 49.421 2.291 25703 135 1 1 . 1 1 24 24 ALA CB C 24 20.149 20.149 21.812 -1.663 25703 136 1 1 . 1 1 24 24 ALA H H 24 8.991 8.991 8.586 0.405 25703 137 1 1 . 1 1 25 25 PHE N N 25 124.535 124.535 125.083 -0.548 25703 138 1 1 . 1 1 25 25 PHE HA H 25 5.002 5.002 4.637 0.365 25703 139 1 1 . 1 1 25 25 PHE C C 25 174.231 174.231 174.748 -0.517 25703 140 1 1 . 1 1 25 25 PHE CA C 25 58.196 58.196 59.416 -1.220 25703 141 1 1 . 1 1 25 25 PHE CB C 25 40.231 40.231 39.055 1.176 25703 142 1 1 . 1 1 25 25 PHE H H 25 9.231 9.231 8.269 0.962 25703 143 1 1 . 1 1 26 26 TYR N N 26 121.986 121.986 123.975 -1.989 25703 144 1 1 . 1 1 26 26 TYR HA H 26 5.112 5.112 4.639 0.473 25703 145 1 1 . 1 1 26 26 TYR C C 26 170.727 170.727 174.290 -3.563 25703 146 1 1 . 1 1 26 26 TYR CA C 26 55.240 55.240 56.927 -1.687 25703 147 1 1 . 1 1 26 26 TYR CB C 26 43.023 43.023 43.555 -0.532 25703 148 1 1 . 1 1 26 26 TYR H H 26 8.869 8.869 9.154 -0.285 25703 149 1 1 . 1 1 27 27 ALA N N 27 117.474 117.474 118.879 -1.405 25703 150 1 1 . 1 1 27 27 ALA HA H 27 4.329 4.329 4.498 -0.169 25703 151 1 1 . 1 1 27 27 ALA C C 27 178.755 178.755 176.295 2.460 25703 152 1 1 . 1 1 27 27 ALA CA C 27 50.966 50.966 51.558 -0.592 25703 153 1 1 . 1 1 27 27 ALA CB C 27 22.735 22.735 20.189 2.546 25703 154 1 1 . 1 1 27 27 ALA H H 27 6.235 6.235 8.269 -2.034 25703 155 1 1 . 1 1 28 28 THR N N 28 119.624 119.624 112.280 7.344 25703 156 1 1 . 1 1 28 28 THR HA H 28 3.907 3.907 4.283 -0.376 25703 157 1 1 . 1 1 28 28 THR C C 28 174.360 174.360 174.489 -0.129 25703 158 1 1 . 1 1 28 28 THR CA C 28 65.865 65.865 63.880 1.985 25703 159 1 1 . 1 1 28 28 THR CB C 28 69.336 69.336 69.033 0.303 25703 160 1 1 . 1 1 28 28 THR H H 28 10.381 10.381 8.352 2.029 25703 161 1 1 . 1 1 29 29 TRP N N 29 115.983 115.983 122.011 -6.028 25703 162 1 1 . 1 1 29 29 TRP HA H 29 4.590 4.590 4.982 -0.392 25703 163 1 1 . 1 1 29 29 TRP CA C 29 53.924 53.924 55.383 -1.459 25703 164 1 1 . 1 1 29 29 TRP CB C 29 29.460 29.460 27.885 1.575 25703 165 1 1 . 1 1 29 29 TRP H H 29 6.472 6.472 7.270 -0.798 25703 166 1 1 . 1 1 30 30 CYS HA H 30 3.857 3.857 4.859 -1.002 25703 167 1 1 . 1 1 30 30 CYS CA C 30 58.536 58.536 57.717 0.819 25703 168 1 1 . 1 1 30 30 CYS CB C 30 37.005 37.005 30.409 6.596 25703 169 1 1 . 1 1 31 31 GLY CA C 31 48.989 48.989 46.384 2.605 25703 170 1 1 . 1 1 32 32 PRO HA H 32 4.398 4.398 4.402 -0.004 25703 171 1 1 . 1 1 32 32 PRO C C 32 177.189 177.189 178.154 -0.965 25703 172 1 1 . 1 1 32 32 PRO CA C 32 65.366 65.366 64.807 0.559 25703 173 1 1 . 1 1 32 32 PRO CB C 32 32.289 32.289 31.115 1.174 25703 174 1 1 . 1 1 33 33 CYS N N 33 111.468 111.468 113.109 -1.641 25703 175 1 1 . 1 1 33 33 CYS HA H 33 4.223 4.223 3.863 0.360 25703 176 1 1 . 1 1 33 33 CYS CA C 33 65.801 65.801 60.649 5.152 25703 177 1 1 . 1 1 33 33 CYS CB C 33 34.949 34.949 25.465 9.484 25703 178 1 1 . 1 1 33 33 CYS H H 33 7.991 7.991 8.335 -0.344 25703 179 1 1 . 1 1 34 34 LYS HA H 34 3.968 3.968 4.047 -0.079 25703 180 1 1 . 1 1 34 34 LYS C C 34 178.052 178.052 178.285 -0.233 25703 181 1 1 . 1 1 34 34 LYS CA C 34 59.661 59.661 58.791 0.870 25703 182 1 1 . 1 1 34 34 LYS CB C 34 32.513 32.513 32.072 0.441 25703 183 1 1 . 1 1 35 35 MET N N 35 117.236 117.236 115.704 1.532 25703 184 1 1 . 1 1 35 35 MET HA H 35 4.194 4.194 4.282 -0.088 25703 185 1 1 . 1 1 35 35 MET C C 35 177.451 177.451 178.393 -0.942 25703 186 1 1 . 1 1 35 35 MET CA C 35 57.938 57.938 58.316 -0.378 25703 187 1 1 . 1 1 35 35 MET CB C 35 32.628 32.628 32.989 -0.361 25703 188 1 1 . 1 1 35 35 MET H H 35 7.326 7.326 7.493 -0.167 25703 189 1 1 . 1 1 36 36 ILE N N 36 113.758 113.758 118.983 -5.225 25703 190 1 1 . 1 1 36 36 ILE HA H 36 4.345 4.345 3.881 0.464 25703 191 1 1 . 1 1 36 36 ILE C C 36 176.183 176.183 176.392 -0.209 25703 192 1 1 . 1 1 36 36 ILE CA C 36 60.656 60.656 62.858 -2.202 25703 193 1 1 . 1 1 36 36 ILE CB C 36 39.657 39.657 37.301 2.356 25703 194 1 1 . 1 1 36 36 ILE H H 36 7.315 7.315 7.938 -0.623 25703 195 1 1 . 1 1 37 37 ALA N N 37 126.738 126.738 124.636 2.102 25703 196 1 1 . 1 1 37 37 ALA HA H 37 4.095 4.095 4.290 -0.195 25703 197 1 1 . 1 1 37 37 ALA CA C 37 57.562 57.562 56.352 1.210 25703 198 1 1 . 1 1 37 37 ALA CB C 37 15.912 15.912 16.667 -0.755 25703 199 1 1 . 1 1 37 37 ALA H H 37 7.447 7.447 7.574 -0.127 25703 200 1 1 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.243 0.027 25703 201 1 1 . 1 1 38 38 PRO C C 38 178.922 178.922 178.455 0.467 25703 202 1 1 . 1 1 38 38 PRO CA C 38 65.743 65.743 65.388 0.355 25703 203 1 1 . 1 1 38 38 PRO CB C 38 31.224 31.224 31.354 -0.129 25703 204 1 1 . 1 1 39 39 MET N N 39 118.310 118.310 117.301 1.009 25703 205 1 1 . 1 1 39 39 MET HA H 39 3.859 3.859 3.937 -0.078 25703 206 1 1 . 1 1 39 39 MET C C 39 174.441 174.441 177.944 -3.503 25703 207 1 1 . 1 1 39 39 MET CA C 39 58.390 58.390 56.724 1.666 25703 208 1 1 . 1 1 39 39 MET CB C 39 31.394 31.394 31.038 0.356 25703 209 1 1 . 1 1 39 39 MET H H 39 7.063 7.063 7.202 -0.139 25703 210 1 1 . 1 1 40 40 ILE N N 40 119.013 119.013 119.152 -0.139 25703 211 1 1 . 1 1 40 40 ILE HA H 40 3.595 3.595 3.387 0.208 25703 212 1 1 . 1 1 40 40 ILE C C 40 177.267 177.267 177.948 -0.681 25703 213 1 1 . 1 1 40 40 ILE CA C 40 64.393 64.393 64.898 -0.505 25703 214 1 1 . 1 1 40 40 ILE CB C 40 36.259 36.259 37.182 -0.923 25703 215 1 1 . 1 1 40 40 ILE H H 40 7.752 7.752 8.647 -0.895 25703 216 1 1 . 1 1 41 41 GLU N N 41 119.530 119.530 120.562 -1.032 25703 217 1 1 . 1 1 41 41 GLU HA H 41 3.572 3.572 3.754 -0.182 25703 218 1 1 . 1 1 41 41 GLU C C 41 179.597 179.597 178.278 1.319 25703 219 1 1 . 1 1 41 41 GLU CA C 41 59.878 59.878 59.458 0.420 25703 220 1 1 . 1 1 41 41 GLU CB C 41 29.900 29.900 29.360 0.540 25703 221 1 1 . 1 1 41 41 GLU H H 41 7.442 7.442 7.763 -0.321 25703 222 1 1 . 1 1 42 42 LYS N N 42 122.053 122.053 119.558 2.495 25703 223 1 1 . 1 1 42 42 LYS HA H 42 3.932 3.932 4.082 -0.150 25703 224 1 1 . 1 1 42 42 LYS C C 42 179.390 179.390 179.274 0.116 25703 225 1 1 . 1 1 42 42 LYS CA C 42 59.532 59.532 58.464 1.068 25703 226 1 1 . 1 1 42 42 LYS CB C 42 31.281 31.281 31.852 -0.572 25703 227 1 1 . 1 1 42 42 LYS H H 42 7.428 7.428 7.401 0.027 25703 228 1 1 . 1 1 43 43 PHE N N 43 120.250 120.250 117.354 2.896 25703 229 1 1 . 1 1 43 43 PHE HA H 43 4.639 4.639 4.437 0.202 25703 230 1 1 . 1 1 43 43 PHE C C 43 177.337 177.337 176.910 0.427 25703 231 1 1 . 1 1 43 43 PHE CA C 43 59.331 59.331 58.411 0.920 25703 232 1 1 . 1 1 43 43 PHE CB C 43 37.737 37.737 38.175 -0.438 25703 233 1 1 . 1 1 43 43 PHE H H 43 8.337 8.337 8.248 0.089 25703 234 1 1 . 1 1 44 44 SER N N 44 117.203 117.203 111.842 5.361 25703 235 1 1 . 1 1 44 44 SER HA H 44 2.967 2.967 4.057 -1.090 25703 236 1 1 . 1 1 44 44 SER C C 44 174.934 174.934 175.433 -0.499 25703 237 1 1 . 1 1 44 44 SER CA C 44 61.159 61.159 60.232 0.927 25703 238 1 1 . 1 1 44 44 SER CB C 44 62.353 62.353 63.186 -0.833 25703 239 1 1 . 1 1 44 44 SER H H 44 7.754 7.754 8.016 -0.262 25703 240 1 1 . 1 1 45 45 GLU N N 45 121.664 121.664 120.925 0.739 25703 241 1 1 . 1 1 45 45 GLU HA H 45 4.049 4.049 4.176 -0.127 25703 242 1 1 . 1 1 45 45 GLU C C 45 177.360 177.360 177.306 0.054 25703 243 1 1 . 1 1 45 45 GLU CA C 45 57.739 57.739 58.053 -0.314 25703 244 1 1 . 1 1 45 45 GLU CB C 45 30.191 30.191 30.012 0.179 25703 245 1 1 . 1 1 45 45 GLU H H 45 6.884 6.884 7.763 -0.879 25703 246 1 1 . 1 1 46 46 GLN N N 46 118.766 118.766 116.048 2.718 25703 247 1 1 . 1 1 46 46 GLN HA H 46 3.948 3.948 4.292 -0.344 25703 248 1 1 . 1 1 46 46 GLN C C 46 177.431 177.431 176.164 1.267 25703 249 1 1 . 1 1 46 46 GLN CA C 46 58.372 58.372 55.616 2.756 25703 250 1 1 . 1 1 46 46 GLN CB C 46 30.160 30.160 29.053 1.107 25703 251 1 1 . 1 1 46 46 GLN H H 46 7.551 7.551 7.106 0.445 25703 252 1 1 . 1 1 47 47 TYR N N 47 117.012 117.012 119.724 -2.712 25703 253 1 1 . 1 1 47 47 TYR HA H 47 4.971 4.971 4.771 0.200 25703 254 1 1 . 1 1 47 47 TYR CA C 47 56.523 56.523 53.839 2.684 25703 255 1 1 . 1 1 47 47 TYR CB C 47 38.479 38.479 37.114 1.365 25703 256 1 1 . 1 1 47 47 TYR H H 47 7.426 7.426 7.153 0.273 25703 257 1 1 . 1 1 48 48 PRO HA H 48 4.388 4.388 4.435 -0.047 25703 258 1 1 . 1 1 48 48 PRO C C 48 176.927 176.927 177.557 -0.630 25703 259 1 1 . 1 1 48 48 PRO CA C 48 65.425 65.425 64.394 1.031 25703 260 1 1 . 1 1 48 48 PRO CB C 48 32.619 32.619 32.244 0.375 25703 261 1 1 . 1 1 49 49 GLN N N 49 120.194 120.194 116.058 4.136 25703 262 1 1 . 1 1 49 49 GLN HA H 49 4.369 4.369 4.354 0.016 25703 263 1 1 . 1 1 49 49 GLN C C 49 174.438 174.438 175.023 -0.585 25703 264 1 1 . 1 1 49 49 GLN CA C 49 56.832 56.832 56.214 0.618 25703 265 1 1 . 1 1 49 49 GLN CB C 49 28.164 28.164 28.219 -0.055 25703 266 1 1 . 1 1 49 49 GLN H H 49 9.624 9.624 8.597 1.027 25703 267 1 1 . 1 1 50 50 ALA N N 50 128.180 128.180 122.262 5.918 25703 268 1 1 . 1 1 50 50 ALA HA H 50 5.048 5.048 4.424 0.624 25703 269 1 1 . 1 1 50 50 ALA C C 50 174.685 174.685 176.615 -1.930 25703 270 1 1 . 1 1 50 50 ALA CA C 50 50.518 50.518 50.578 -0.060 25703 271 1 1 . 1 1 50 50 ALA CB C 50 22.754 22.754 21.024 1.730 25703 272 1 1 . 1 1 50 50 ALA H H 50 8.179 8.179 7.611 0.568 25703 273 1 1 . 1 1 51 51 ASP N N 51 121.032 121.032 118.996 2.036 25703 274 1 1 . 1 1 51 51 ASP HA H 51 5.102 5.102 4.918 0.184 25703 275 1 1 . 1 1 51 51 ASP C C 51 174.171 174.171 174.102 0.069 25703 276 1 1 . 1 1 51 51 ASP CA C 51 53.515 53.515 53.354 0.161 25703 277 1 1 . 1 1 51 51 ASP CB C 51 44.782 44.782 45.053 -0.271 25703 278 1 1 . 1 1 51 51 ASP H H 51 8.435 8.435 8.077 0.358 25703 279 1 1 . 1 1 52 52 PHE N N 52 121.696 121.696 122.226 -0.530 25703 280 1 1 . 1 1 52 52 PHE HA H 52 5.172 5.172 5.160 0.012 25703 281 1 1 . 1 1 52 52 PHE C C 52 174.110 174.110 173.760 0.350 25703 282 1 1 . 1 1 52 52 PHE CA C 52 57.189 57.189 55.645 1.544 25703 283 1 1 . 1 1 52 52 PHE CB C 52 42.291 42.291 41.635 0.656 25703 284 1 1 . 1 1 52 52 PHE H H 52 8.983 8.983 8.614 0.369 25703 285 1 1 . 1 1 53 53 TYR N N 53 122.042 122.042 123.490 -1.448 25703 286 1 1 . 1 1 53 53 TYR HA H 53 5.495 5.495 5.074 0.421 25703 287 1 1 . 1 1 53 53 TYR C C 53 174.002 174.002 174.715 -0.713 25703 288 1 1 . 1 1 53 53 TYR CA C 53 56.214 56.214 56.028 0.186 25703 289 1 1 . 1 1 53 53 TYR CB C 53 46.407 46.407 42.465 3.942 25703 290 1 1 . 1 1 53 53 TYR H H 53 9.362 9.362 9.498 -0.136 25703 291 1 1 . 1 1 54 54 LYS N N 54 116.808 116.808 120.920 -4.112 25703 292 1 1 . 1 1 54 54 LYS HA H 54 5.505 5.505 4.900 0.605 25703 293 1 1 . 1 1 54 54 LYS C C 54 172.792 172.792 174.837 -2.045 25703 294 1 1 . 1 1 54 54 LYS CA C 54 53.943 53.943 55.590 -1.647 25703 295 1 1 . 1 1 54 54 LYS CB C 54 36.950 36.950 35.510 1.440 25703 296 1 1 . 1 1 54 54 LYS H H 54 8.463 8.463 8.867 -0.404 25703 297 1 1 . 1 1 55 55 LEU N N 55 123.826 123.826 123.530 0.296 25703 298 1 1 . 1 1 55 55 LEU HA H 55 4.472 4.472 4.574 -0.102 25703 299 1 1 . 1 1 55 55 LEU C C 55 171.652 171.652 175.633 -3.981 25703 300 1 1 . 1 1 55 55 LEU CA C 55 55.906 55.906 53.490 2.416 25703 301 1 1 . 1 1 55 55 LEU CB C 55 46.528 46.528 44.294 2.235 25703 302 1 1 . 1 1 55 55 LEU H H 55 8.688 8.688 8.903 -0.215 25703 303 1 1 . 1 1 56 56 ASP N N 56 127.169 127.169 120.563 6.606 25703 304 1 1 . 1 1 56 56 ASP HA H 56 4.130 4.130 4.870 -0.740 25703 305 1 1 . 1 1 56 56 ASP C C 56 177.692 177.692 176.118 1.574 25703 306 1 1 . 1 1 56 56 ASP CA C 56 54.074 54.074 54.598 -0.524 25703 307 1 1 . 1 1 56 56 ASP CB C 56 41.388 41.388 41.890 -0.502 25703 308 1 1 . 1 1 56 56 ASP H H 56 8.595 8.595 9.031 -0.436 25703 309 1 1 . 1 1 57 57 VAL N N 57 123.562 123.562 125.675 -2.113 25703 310 1 1 . 1 1 57 57 VAL HA H 57 3.491 3.491 3.992 -0.501 25703 311 1 1 . 1 1 57 57 VAL C C 57 175.413 175.413 175.759 -0.346 25703 312 1 1 . 1 1 57 57 VAL CA C 57 65.095 65.095 64.657 0.438 25703 313 1 1 . 1 1 57 57 VAL CB C 57 31.658 31.658 32.385 -0.727 25703 314 1 1 . 1 1 57 57 VAL H H 57 8.712 8.712 8.828 -0.116 25703 315 1 1 . 1 1 58 58 ASP N N 58 120.070 120.070 117.694 2.376 25703 316 1 1 . 1 1 58 58 ASP HA H 58 4.827 4.827 4.518 0.309 25703 317 1 1 . 1 1 58 58 ASP C C 58 177.131 177.131 177.559 -0.428 25703 318 1 1 . 1 1 58 58 ASP CA C 58 57.693 57.693 56.757 0.936 25703 319 1 1 . 1 1 58 58 ASP CB C 58 40.827 40.827 40.358 0.469 25703 320 1 1 . 1 1 58 58 ASP H H 58 8.670 8.670 8.613 0.057 25703 321 1 1 . 1 1 59 59 GLU N N 59 120.889 120.889 119.371 1.518 25703 322 1 1 . 1 1 59 59 GLU HA H 59 4.358 4.358 4.442 -0.084 25703 323 1 1 . 1 1 59 59 GLU C C 59 176.606 176.606 178.042 -1.436 25703 324 1 1 . 1 1 59 59 GLU CA C 59 57.881 57.881 57.031 0.850 25703 325 1 1 . 1 1 59 59 GLU CB C 59 32.138 32.138 30.836 1.302 25703 326 1 1 . 1 1 59 59 GLU H H 59 7.616 7.616 7.979 -0.363 25703 327 1 1 . 1 1 60 60 LEU N N 60 122.457 122.457 121.244 1.213 25703 328 1 1 . 1 1 60 60 LEU HA H 60 4.916 4.916 4.693 0.223 25703 329 1 1 . 1 1 60 60 LEU C C 60 176.538 176.538 176.917 -0.379 25703 330 1 1 . 1 1 60 60 LEU CA C 60 52.864 52.864 52.984 -0.120 25703 331 1 1 . 1 1 60 60 LEU CB C 60 42.270 42.270 38.864 3.406 25703 332 1 1 . 1 1 60 60 LEU H H 60 7.690 7.690 8.680 -0.990 25703 333 1 1 . 1 1 61 61 GLY N N 61 112.065 112.065 109.453 2.612 25703 334 1 1 . 1 1 61 61 GLY C C 61 175.917 175.917 175.299 0.618 25703 335 1 1 . 1 1 61 61 GLY CA C 61 48.760 48.760 46.985 1.775 25703 336 1 1 . 1 1 61 61 GLY H H 61 8.267 8.267 7.683 0.584 25703 337 1 1 . 1 1 62 62 ASP N N 62 120.904 120.904 120.557 0.347 25703 338 1 1 . 1 1 62 62 ASP HA H 62 4.302 4.302 4.343 -0.041 25703 339 1 1 . 1 1 62 62 ASP C C 62 178.355 178.355 178.061 0.294 25703 340 1 1 . 1 1 62 62 ASP CA C 62 57.045 57.045 57.201 -0.156 25703 341 1 1 . 1 1 62 62 ASP CB C 62 39.646 39.646 40.694 -1.048 25703 342 1 1 . 1 1 62 62 ASP H H 62 9.155 9.155 8.243 0.912 25703 343 1 1 . 1 1 63 63 VAL N N 63 121.465 121.465 119.012 2.453 25703 344 1 1 . 1 1 63 63 VAL HA H 63 3.310 3.310 3.773 -0.463 25703 345 1 1 . 1 1 63 63 VAL C C 63 178.724 178.724 176.764 1.960 25703 346 1 1 . 1 1 63 63 VAL CA C 63 65.878 65.878 65.225 0.653 25703 347 1 1 . 1 1 63 63 VAL CB C 63 31.718 31.718 31.815 -0.097 25703 348 1 1 . 1 1 63 63 VAL H H 63 7.263 7.263 7.731 -0.468 25703 349 1 1 . 1 1 64 64 ALA N N 64 123.341 123.341 121.143 2.198 25703 350 1 1 . 1 1 64 64 ALA HA H 64 3.774 3.774 3.074 0.700 25703 351 1 1 . 1 1 64 64 ALA C C 64 177.984 177.984 179.540 -1.556 25703 352 1 1 . 1 1 64 64 ALA CA C 64 56.326 56.326 54.705 1.621 25703 353 1 1 . 1 1 64 64 ALA CB C 64 18.296 18.296 17.568 0.728 25703 354 1 1 . 1 1 64 64 ALA H H 64 7.248 7.248 7.298 -0.050 25703 355 1 1 . 1 1 65 65 GLN N N 65 118.749 118.749 116.649 2.100 25703 356 1 1 . 1 1 65 65 GLN HA H 65 4.013 4.013 4.074 -0.061 25703 357 1 1 . 1 1 65 65 GLN CA C 65 59.524 59.524 57.819 1.705 25703 358 1 1 . 1 1 65 65 GLN CB C 65 28.802 28.802 27.976 0.826 25703 359 1 1 . 1 1 65 65 GLN H H 65 8.276 8.276 8.011 0.265 25703 360 1 1 . 1 1 66 66 LYS N N 66 120.950 120.950 120.838 0.112 25703 361 1 1 . 1 1 66 66 LYS HA H 66 4.033 4.033 4.100 -0.067 25703 362 1 1 . 1 1 66 66 LYS C C 66 176.439 176.439 178.040 -1.601 25703 363 1 1 . 1 1 66 66 LYS CA C 66 59.276 59.276 59.100 0.176 25703 364 1 1 . 1 1 66 66 LYS CB C 66 32.706 32.706 32.321 0.385 25703 365 1 1 . 1 1 66 66 LYS H H 66 7.984 7.984 7.963 0.021 25703 366 1 1 . 1 1 67 67 ASN N N 67 115.512 115.512 115.508 0.004 25703 367 1 1 . 1 1 67 67 ASN HA H 67 4.698 4.698 5.065 -0.367 25703 368 1 1 . 1 1 67 67 ASN C C 67 171.075 171.075 173.764 -2.689 25703 369 1 1 . 1 1 67 67 ASN CA C 67 54.555 54.555 53.141 1.414 25703 370 1 1 . 1 1 67 67 ASN CB C 67 40.572 40.572 38.663 1.909 25703 371 1 1 . 1 1 67 67 ASN H H 67 7.052 7.052 7.664 -0.612 25703 372 1 1 . 1 1 68 68 GLU N N 68 115.540 115.540 114.905 0.635 25703 373 1 1 . 1 1 68 68 GLU HA H 68 3.724 3.724 3.882 -0.158 25703 374 1 1 . 1 1 68 68 GLU C C 68 175.135 175.135 175.422 -0.287 25703 375 1 1 . 1 1 68 68 GLU CA C 68 57.472 57.472 57.011 0.461 25703 376 1 1 . 1 1 68 68 GLU CB C 68 27.320 27.320 26.963 0.357 25703 377 1 1 . 1 1 68 68 GLU H H 68 7.708 7.708 7.673 0.035 25703 378 1 1 . 1 1 69 69 VAL N N 69 121.037 121.037 120.004 1.033 25703 379 1 1 . 1 1 69 69 VAL HA H 69 3.891 3.891 4.001 -0.110 25703 380 1 1 . 1 1 69 69 VAL C C 69 174.845 174.845 175.884 -1.039 25703 381 1 1 . 1 1 69 69 VAL CA C 69 63.315 63.315 63.184 0.131 25703 382 1 1 . 1 1 69 69 VAL CB C 69 31.259 31.259 31.944 -0.685 25703 383 1 1 . 1 1 69 69 VAL H H 69 7.786 7.786 8.241 -0.455 25703 384 1 1 . 1 1 70 70 SER N N 70 123.071 123.071 122.107 0.964 25703 385 1 1 . 1 1 70 70 SER HA H 70 4.453 4.453 4.615 -0.162 25703 386 1 1 . 1 1 70 70 SER C C 70 172.450 172.450 174.370 -1.920 25703 387 1 1 . 1 1 70 70 SER CA C 70 58.194 58.194 57.600 0.594 25703 388 1 1 . 1 1 70 70 SER CB C 70 65.148 65.148 63.747 1.401 25703 389 1 1 . 1 1 70 70 SER H H 70 8.556 8.556 8.597 -0.041 25703 390 1 1 . 1 1 71 71 ALA N N 71 127.000 127.000 124.559 2.441 25703 391 1 1 . 1 1 71 71 ALA HA H 71 4.554 4.554 4.770 -0.216 25703 392 1 1 . 1 1 71 71 ALA C C 71 175.018 175.018 175.279 -0.261 25703 393 1 1 . 1 1 71 71 ALA CA C 71 51.898 51.898 51.656 0.242 25703 394 1 1 . 1 1 71 71 ALA CB C 71 21.560 21.560 21.235 0.325 25703 395 1 1 . 1 1 71 71 ALA H H 71 7.884 7.884 7.779 0.105 25703 396 1 1 . 1 1 72 72 MET N N 72 120.240 120.240 119.127 1.113 25703 397 1 1 . 1 1 72 72 MET HA H 72 4.827 4.827 5.094 -0.267 25703 398 1 1 . 1 1 72 72 MET CA C 72 57.888 57.888 51.810 6.078 25703 399 1 1 . 1 1 72 72 MET CB C 72 36.102 36.102 32.845 3.257 25703 400 1 1 . 1 1 72 72 MET H H 72 8.664 8.664 8.340 0.324 25703 401 1 1 . 1 1 73 73 PRO HA H 73 4.988 4.988 5.250 -0.262 25703 402 1 1 . 1 1 73 73 PRO C C 73 175.162 175.162 176.296 -1.134 25703 403 1 1 . 1 1 73 73 PRO CA C 73 64.042 64.042 62.123 1.919 25703 404 1 1 . 1 1 73 73 PRO CB C 73 35.151 35.151 33.781 1.370 25703 405 1 1 . 1 1 74 74 THR N N 74 114.942 114.942 115.736 -0.794 25703 406 1 1 . 1 1 74 74 THR HA H 74 4.995 4.995 4.659 0.336 25703 407 1 1 . 1 1 74 74 THR C C 74 170.891 170.891 173.295 -2.404 25703 408 1 1 . 1 1 74 74 THR CA C 74 63.926 63.926 62.318 1.608 25703 409 1 1 . 1 1 74 74 THR CB C 74 73.856 73.856 71.160 2.696 25703 410 1 1 . 1 1 74 74 THR H H 74 7.490 7.490 8.172 -0.682 25703 411 1 1 . 1 1 75 75 LEU N N 75 132.149 132.149 128.780 3.369 25703 412 1 1 . 1 1 75 75 LEU HA H 75 5.493 5.493 4.949 0.544 25703 413 1 1 . 1 1 75 75 LEU C C 75 174.331 174.331 174.798 -0.467 25703 414 1 1 . 1 1 75 75 LEU CA C 75 53.852 53.852 53.986 -0.134 25703 415 1 1 . 1 1 75 75 LEU CB C 75 45.160 45.160 42.340 2.821 25703 416 1 1 . 1 1 75 75 LEU H H 75 9.427 9.427 8.859 0.568 25703 417 1 1 . 1 1 76 76 LEU N N 76 124.814 124.814 125.305 -0.491 25703 418 1 1 . 1 1 76 76 LEU HA H 76 4.932 4.932 4.764 0.168 25703 419 1 1 . 1 1 76 76 LEU C C 76 173.732 173.732 175.552 -1.820 25703 420 1 1 . 1 1 76 76 LEU CA C 76 54.032 54.032 53.767 0.265 25703 421 1 1 . 1 1 76 76 LEU CB C 76 46.726 46.726 43.754 2.972 25703 422 1 1 . 1 1 76 76 LEU H H 76 9.240 9.240 8.535 0.705 25703 423 1 1 . 1 1 77 77 LEU N N 77 123.770 123.770 120.350 3.420 25703 424 1 1 . 1 1 77 77 LEU HA H 77 5.251 5.251 5.106 0.145 25703 425 1 1 . 1 1 77 77 LEU C C 77 174.442 174.442 175.984 -1.542 25703 426 1 1 . 1 1 77 77 LEU CA C 77 55.087 55.087 53.708 1.379 25703 427 1 1 . 1 1 77 77 LEU CB C 77 43.250 43.250 42.068 1.182 25703 428 1 1 . 1 1 77 77 LEU H H 77 8.175 8.175 7.973 0.202 25703 429 1 1 . 1 1 78 78 PHE N N 78 122.975 122.975 123.639 -0.664 25703 430 1 1 . 1 1 78 78 PHE HA H 78 5.397 5.397 4.818 0.579 25703 431 1 1 . 1 1 78 78 PHE C C 78 173.920 173.920 174.862 -0.942 25703 432 1 1 . 1 1 78 78 PHE CA C 78 56.867 56.867 57.484 -0.617 25703 433 1 1 . 1 1 78 78 PHE CB C 78 44.858 44.858 43.116 1.742 25703 434 1 1 . 1 1 78 78 PHE H H 78 9.742 9.742 9.279 0.463 25703 435 1 1 . 1 1 79 79 LYS N N 79 118.164 118.164 121.170 -3.006 25703 436 1 1 . 1 1 79 79 LYS HA H 79 4.817 4.817 4.928 -0.111 25703 437 1 1 . 1 1 79 79 LYS C C 79 177.194 177.194 176.216 0.978 25703 438 1 1 . 1 1 79 79 LYS CA C 79 57.980 57.980 55.217 2.763 25703 439 1 1 . 1 1 79 79 LYS CB C 79 37.031 37.031 33.892 3.139 25703 440 1 1 . 1 1 79 79 LYS H H 79 8.745 8.745 8.653 0.092 25703 441 1 1 . 1 1 80 80 ASN N N 80 126.660 126.660 125.919 0.741 25703 442 1 1 . 1 1 80 80 ASN HA H 80 4.291 4.291 4.564 -0.273 25703 443 1 1 . 1 1 80 80 ASN C C 80 174.868 174.868 175.419 -0.551 25703 444 1 1 . 1 1 80 80 ASN CA C 80 54.925 54.925 54.701 0.224 25703 445 1 1 . 1 1 80 80 ASN CB C 80 38.055 38.055 37.267 0.788 25703 446 1 1 . 1 1 80 80 ASN H H 80 8.893 8.893 9.403 -0.510 25703 447 1 1 . 1 1 81 81 GLY N N 81 103.991 103.991 105.528 -1.537 25703 448 1 1 . 1 1 81 81 GLY C C 81 172.724 172.724 174.733 -2.009 25703 449 1 1 . 1 1 81 81 GLY CA C 81 46.145 46.145 45.910 0.235 25703 450 1 1 . 1 1 81 81 GLY H H 81 8.639 8.639 8.740 -0.101 25703 451 1 1 . 1 1 82 82 LYS N N 82 120.266 120.266 119.491 0.775 25703 452 1 1 . 1 1 82 82 LYS HA H 82 4.937 4.937 4.430 0.507 25703 453 1 1 . 1 1 82 82 LYS C C 82 174.364 174.364 175.967 -1.603 25703 454 1 1 . 1 1 82 82 LYS CA C 82 55.602 55.602 55.606 -0.004 25703 455 1 1 . 1 1 82 82 LYS CB C 82 35.830 35.830 33.224 2.606 25703 456 1 1 . 1 1 82 82 LYS H H 82 7.576 7.576 8.061 -0.485 25703 457 1 1 . 1 1 83 83 GLU N N 83 126.445 126.445 117.247 9.198 25703 458 1 1 . 1 1 83 83 GLU HA H 83 3.867 3.867 3.770 0.097 25703 459 1 1 . 1 1 83 83 GLU C C 83 176.728 176.728 174.033 2.695 25703 460 1 1 . 1 1 83 83 GLU CA C 83 57.345 57.345 57.155 0.190 25703 461 1 1 . 1 1 83 83 GLU CB C 83 30.927 30.927 29.750 1.177 25703 462 1 1 . 1 1 83 83 GLU H H 83 8.819 8.819 7.738 1.081 25703 463 1 1 . 1 1 84 84 VAL N N 84 123.147 123.147 118.804 4.343 25703 464 1 1 . 1 1 84 84 VAL HA H 84 4.417 4.417 4.144 0.273 25703 465 1 1 . 1 1 84 84 VAL C C 84 175.128 175.128 173.720 1.408 25703 466 1 1 . 1 1 84 84 VAL CA C 84 61.453 61.453 61.939 -0.486 25703 467 1 1 . 1 1 84 84 VAL CB C 84 33.692 33.692 33.879 -0.187 25703 468 1 1 . 1 1 84 84 VAL H H 84 9.258 9.258 8.453 0.805 25703 469 1 1 . 1 1 85 85 ALA N N 85 122.281 122.281 121.357 0.924 25703 470 1 1 . 1 1 85 85 ALA HA H 85 4.414 4.414 4.625 -0.211 25703 471 1 1 . 1 1 85 85 ALA C C 85 173.291 173.291 174.266 -0.975 25703 472 1 1 . 1 1 85 85 ALA CA C 85 53.133 53.133 51.524 1.609 25703 473 1 1 . 1 1 85 85 ALA CB C 85 22.544 22.544 21.412 1.133 25703 474 1 1 . 1 1 85 85 ALA H H 85 7.573 7.573 7.621 -0.048 25703 475 1 1 . 1 1 86 86 LYS N N 86 120.704 120.704 121.192 -0.488 25703 476 1 1 . 1 1 86 86 LYS HA H 86 4.933 4.933 4.509 0.424 25703 477 1 1 . 1 1 86 86 LYS C C 86 174.506 174.506 174.384 0.122 25703 478 1 1 . 1 1 86 86 LYS CA C 86 55.860 55.860 55.478 0.382 25703 479 1 1 . 1 1 86 86 LYS CB C 86 35.979 35.979 34.744 1.235 25703 480 1 1 . 1 1 86 86 LYS H H 86 8.014 8.014 8.210 -0.196 25703 481 1 1 . 1 1 87 87 VAL N N 87 126.817 126.817 125.714 1.103 25703 482 1 1 . 1 1 87 87 VAL HA H 87 4.276 4.276 4.432 -0.156 25703 483 1 1 . 1 1 87 87 VAL C C 87 174.002 174.002 173.639 0.363 25703 484 1 1 . 1 1 87 87 VAL CA C 87 62.070 62.070 61.449 0.621 25703 485 1 1 . 1 1 87 87 VAL CB C 87 34.958 34.958 36.090 -1.132 25703 486 1 1 . 1 1 87 87 VAL H H 87 9.186 9.186 8.844 0.342 25703 487 1 1 . 1 1 88 88 VAL N N 88 129.683 129.683 126.571 3.112 25703 488 1 1 . 1 1 88 88 VAL HA H 88 4.446 4.446 4.431 0.016 25703 489 1 1 . 1 1 88 88 VAL C C 88 175.594 175.594 174.407 1.187 25703 490 1 1 . 1 1 88 88 VAL CA C 88 62.462 62.462 61.360 1.102 25703 491 1 1 . 1 1 88 88 VAL CB C 88 33.275 33.275 31.919 1.356 25703 492 1 1 . 1 1 88 88 VAL H H 88 9.026 9.026 8.378 0.648 25703 493 1 1 . 1 1 89 89 GLY N N 89 114.918 114.918 116.355 -1.437 25703 494 1 1 . 1 1 89 89 GLY CA C 89 44.014 44.014 45.955 -1.941 25703 495 1 1 . 1 1 89 89 GLY H H 89 8.298 8.298 8.194 0.104 25703 496 1 1 . 1 1 90 90 ALA HA H 90 4.227 4.227 3.962 0.265 25703 497 1 1 . 1 1 90 90 ALA C C 90 174.279 174.279 175.269 -0.990 25703 498 1 1 . 1 1 90 90 ALA CA C 90 50.915 50.915 53.109 -2.194 25703 499 1 1 . 1 1 90 90 ALA CB C 90 18.480 18.480 18.407 0.073 25703 500 1 1 . 1 1 91 91 ASN N N 91 121.022 121.022 118.588 2.434 25703 501 1 1 . 1 1 91 91 ASN HA H 91 5.114 5.114 5.001 0.113 25703 502 1 1 . 1 1 91 91 ASN CA C 91 50.500 50.500 50.226 0.274 25703 503 1 1 . 1 1 91 91 ASN CB C 91 39.514 39.514 38.719 0.795 25703 504 1 1 . 1 1 91 91 ASN H H 91 7.360 7.360 8.298 -0.938 25703 505 1 1 . 1 1 92 92 PRO HA H 92 4.116 4.116 4.408 -0.292 25703 506 1 1 . 1 1 92 92 PRO CA C 92 63.392 63.392 64.575 -1.183 25703 507 1 1 . 1 1 93 93 ALA HA H 93 4.074 4.074 4.499 -0.425 25703 508 1 1 . 1 1 93 93 ALA C C 93 179.673 179.673 178.801 0.872 25703 509 1 1 . 1 1 93 93 ALA CA C 93 55.353 55.353 53.972 1.381 25703 510 1 1 . 1 1 93 93 ALA CB C 93 18.455 18.455 18.413 0.042 25703 511 1 1 . 1 1 94 94 ALA N N 94 121.514 121.514 120.647 0.867 25703 512 1 1 . 1 1 94 94 ALA HA H 94 4.064 4.064 4.207 -0.143 25703 513 1 1 . 1 1 94 94 ALA C C 94 180.373 180.373 179.203 1.170 25703 514 1 1 . 1 1 94 94 ALA CA C 94 55.418 55.418 54.096 1.322 25703 515 1 1 . 1 1 94 94 ALA CB C 94 19.268 19.268 18.357 0.911 25703 516 1 1 . 1 1 94 94 ALA H H 94 7.228 7.228 8.126 -0.898 25703 517 1 1 . 1 1 95 95 ILE N N 95 120.330 120.330 118.714 1.616 25703 518 1 1 . 1 1 95 95 ILE HA H 95 3.358 3.358 3.849 -0.491 25703 519 1 1 . 1 1 95 95 ILE C C 95 175.639 175.639 176.917 -1.278 25703 520 1 1 . 1 1 95 95 ILE CA C 95 66.564 66.564 62.682 3.882 25703 521 1 1 . 1 1 95 95 ILE CB C 95 38.854 38.854 38.153 0.701 25703 522 1 1 . 1 1 95 95 ILE H H 95 7.738 7.738 7.804 -0.066 25703 523 1 1 . 1 1 96 96 LYS N N 96 119.846 119.846 118.886 0.960 25703 524 1 1 . 1 1 96 96 LYS HA H 96 3.144 3.144 4.053 -0.909 25703 525 1 1 . 1 1 96 96 LYS C C 96 177.288 177.288 179.347 -2.059 25703 526 1 1 . 1 1 96 96 LYS CA C 96 60.420 60.420 58.910 1.510 25703 527 1 1 . 1 1 96 96 LYS CB C 96 32.612 32.612 31.360 1.252 25703 528 1 1 . 1 1 96 96 LYS H H 96 8.087 8.087 7.744 0.343 25703 529 1 1 . 1 1 97 97 GLN N N 97 116.484 116.484 119.851 -3.367 25703 530 1 1 . 1 1 97 97 GLN HA H 97 3.848 3.848 4.059 -0.211 25703 531 1 1 . 1 1 97 97 GLN C C 97 177.461 177.461 178.060 -0.599 25703 532 1 1 . 1 1 97 97 GLN CA C 97 59.069 59.069 59.019 0.050 25703 533 1 1 . 1 1 97 97 GLN CB C 97 28.799 28.799 28.375 0.424 25703 534 1 1 . 1 1 97 97 GLN H H 97 7.700 7.700 7.626 0.074 25703 535 1 1 . 1 1 98 98 ALA N N 98 121.852 121.852 121.773 0.079 25703 536 1 1 . 1 1 98 98 ALA HA H 98 3.921 3.921 4.078 -0.157 25703 537 1 1 . 1 1 98 98 ALA C C 98 174.452 174.452 179.713 -5.261 25703 538 1 1 . 1 1 98 98 ALA CA C 98 55.207 55.207 54.825 0.382 25703 539 1 1 . 1 1 98 98 ALA CB C 98 18.356 18.356 18.629 -0.273 25703 540 1 1 . 1 1 98 98 ALA H H 98 7.456 7.456 7.547 -0.091 25703 541 1 1 . 1 1 99 99 ILE N N 99 118.810 118.810 118.526 0.284 25703 542 1 1 . 1 1 99 99 ILE HA H 99 3.037 3.037 3.674 -0.637 25703 543 1 1 . 1 1 99 99 ILE C C 99 176.476 176.476 177.528 -1.052 25703 544 1 1 . 1 1 99 99 ILE CA C 99 65.925 65.925 62.986 2.939 25703 545 1 1 . 1 1 99 99 ILE CB C 99 38.622 38.622 37.197 1.425 25703 546 1 1 . 1 1 99 99 ILE H H 99 7.692 7.692 8.748 -1.056 25703 547 1 1 . 1 1 100 100 ALA N N 100 120.478 120.478 120.859 -0.381 25703 548 1 1 . 1 1 100 100 ALA HA H 100 3.713 3.713 4.185 -0.472 25703 549 1 1 . 1 1 100 100 ALA C C 100 179.910 179.910 178.658 1.252 25703 550 1 1 . 1 1 100 100 ALA CA C 100 55.491 55.491 53.814 1.677 25703 551 1 1 . 1 1 100 100 ALA CB C 100 18.656 18.656 19.028 -0.372 25703 552 1 1 . 1 1 100 100 ALA H H 100 8.164 8.164 7.900 0.264 25703 553 1 1 . 1 1 101 101 ALA N N 101 116.616 116.616 121.047 -4.431 25703 554 1 1 . 1 1 101 101 ALA HA H 101 4.084 4.084 4.061 0.023 25703 555 1 1 . 1 1 101 101 ALA C C 101 177.705 177.705 178.992 -1.287 25703 556 1 1 . 1 1 101 101 ALA CA C 101 54.113 54.113 54.123 -0.010 25703 557 1 1 . 1 1 101 101 ALA CB C 101 19.576 19.576 19.317 0.259 25703 558 1 1 . 1 1 101 101 ALA H H 101 7.649 7.649 7.809 -0.160 25703 559 1 1 . 1 1 102 102 ASN N N 102 114.293 114.293 115.228 -0.935 25703 560 1 1 . 1 1 102 102 ASN HA H 102 4.753 4.753 4.655 0.098 25703 561 1 1 . 1 1 102 102 ASN C C 102 172.210 172.210 176.157 -3.947 25703 562 1 1 . 1 1 102 102 ASN CA C 102 54.809 54.809 53.951 0.858 25703 563 1 1 . 1 1 102 102 ASN CB C 102 43.388 43.388 39.711 3.677 25703 564 1 1 . 1 1 102 102 ASN H H 102 7.110 7.110 8.216 -1.106 25703 565 1 2 . 1 1 2 2 VAL N N 2 125.982 125.982 121.186 4.796 25703 566 1 2 . 1 1 2 2 VAL HA H 2 4.054 4.054 4.757 -0.703 25703 567 1 2 . 1 1 2 2 VAL CA C 2 61.397 61.397 61.183 0.214 25703 568 1 2 . 1 1 2 2 VAL CB C 2 32.844 32.844 33.625 -0.781 25703 569 1 2 . 1 1 2 2 VAL H H 2 8.576 8.576 9.282 -0.706 25703 570 1 2 . 1 1 3 3 THR N N 3 126.926 126.926 121.620 5.306 25703 571 1 2 . 1 1 3 3 THR HA H 3 4.120 4.120 4.457 -0.337 25703 572 1 2 . 1 1 3 3 THR C C 3 172.671 172.671 173.392 -0.721 25703 573 1 2 . 1 1 3 3 THR CA C 3 64.010 64.010 62.810 1.200 25703 574 1 2 . 1 1 3 3 THR CB C 3 70.030 70.030 69.987 0.043 25703 575 1 2 . 1 1 3 3 THR H H 3 7.787 7.787 8.259 -0.472 25703 576 1 2 . 1 1 4 4 GLN N N 4 128.743 128.743 122.837 5.906 25703 577 1 2 . 1 1 4 4 GLN HA H 4 4.726 4.726 5.410 -0.684 25703 578 1 2 . 1 1 4 4 GLN C C 4 176.254 176.254 175.154 1.100 25703 579 1 2 . 1 1 4 4 GLN CA C 4 54.925 54.925 53.734 1.191 25703 580 1 2 . 1 1 4 4 GLN CB C 4 30.039 30.039 30.404 -0.365 25703 581 1 2 . 1 1 4 4 GLN H H 4 8.976 8.976 8.291 0.685 25703 582 1 2 . 1 1 5 5 PHE N N 5 127.295 127.295 123.720 3.575 25703 583 1 2 . 1 1 5 5 PHE HA H 5 4.793 4.793 4.640 0.153 25703 584 1 2 . 1 1 5 5 PHE C C 5 175.627 175.627 176.263 -0.636 25703 585 1 2 . 1 1 5 5 PHE CA C 5 59.080 59.080 56.298 2.782 25703 586 1 2 . 1 1 5 5 PHE CB C 5 41.083 41.083 42.095 -1.012 25703 587 1 2 . 1 1 5 5 PHE H H 5 8.434 8.434 7.859 0.575 25703 588 1 2 . 1 1 6 6 LYS N N 6 120.464 120.464 116.575 3.889 25703 589 1 2 . 1 1 6 6 LYS HA H 6 4.623 4.623 4.434 0.189 25703 590 1 2 . 1 1 6 6 LYS C C 6 176.504 176.504 175.720 0.784 25703 591 1 2 . 1 1 6 6 LYS CA C 6 56.526 56.526 56.209 0.317 25703 592 1 2 . 1 1 6 6 LYS CB C 6 34.660 34.660 33.859 0.801 25703 593 1 2 . 1 1 6 6 LYS H H 6 9.821 9.821 8.542 1.279 25703 594 1 2 . 1 1 7 7 THR N N 7 108.286 108.286 109.898 -1.612 25703 595 1 2 . 1 1 7 7 THR HA H 7 4.738 4.738 4.614 0.124 25703 596 1 2 . 1 1 7 7 THR C C 7 173.410 173.410 174.811 -1.401 25703 597 1 2 . 1 1 7 7 THR CA C 7 59.287 59.287 60.421 -1.134 25703 598 1 2 . 1 1 7 7 THR CB C 7 73.138 73.138 72.119 1.019 25703 599 1 2 . 1 1 7 7 THR H H 7 7.467 7.467 7.422 0.045 25703 600 1 2 . 1 1 8 8 ALA N N 8 125.007 125.007 126.427 -1.420 25703 601 1 2 . 1 1 8 8 ALA HA H 8 3.705 3.705 4.047 -0.342 25703 602 1 2 . 1 1 8 8 ALA C C 8 178.859 178.859 179.857 -0.998 25703 603 1 2 . 1 1 8 8 ALA CA C 8 55.453 55.453 55.246 0.207 25703 604 1 2 . 1 1 8 8 ALA CB C 8 18.689 18.689 18.347 0.342 25703 605 1 2 . 1 1 8 8 ALA H H 8 9.038 9.038 8.869 0.169 25703 606 1 2 . 1 1 9 9 SER N N 9 113.408 113.408 113.649 -0.241 25703 607 1 2 . 1 1 9 9 SER HA H 9 4.124 4.124 4.066 0.058 25703 608 1 2 . 1 1 9 9 SER C C 9 176.575 176.575 176.577 -0.002 25703 609 1 2 . 1 1 9 9 SER CA C 9 61.528 61.528 61.760 -0.232 25703 610 1 2 . 1 1 9 9 SER CB C 9 62.703 62.703 62.704 -0.001 25703 611 1 2 . 1 1 9 9 SER H H 9 8.159 8.159 8.453 -0.294 25703 612 1 2 . 1 1 10 10 GLU N N 10 123.005 123.005 121.439 1.566 25703 613 1 2 . 1 1 10 10 GLU HA H 10 3.853 3.853 3.673 0.180 25703 614 1 2 . 1 1 10 10 GLU C C 10 178.294 178.294 178.211 0.083 25703 615 1 2 . 1 1 10 10 GLU CA C 10 59.266 59.266 58.846 0.420 25703 616 1 2 . 1 1 10 10 GLU CB C 10 31.536 31.536 28.910 2.626 25703 617 1 2 . 1 1 10 10 GLU H H 10 7.552 7.552 7.594 -0.042 25703 618 1 2 . 1 1 11 11 PHE N N 11 121.633 121.633 119.785 1.848 25703 619 1 2 . 1 1 11 11 PHE HA H 11 2.864 2.864 3.579 -0.715 25703 620 1 2 . 1 1 11 11 PHE C C 11 176.786 176.786 176.874 -0.088 25703 621 1 2 . 1 1 11 11 PHE CA C 11 61.182 61.182 60.849 0.333 25703 622 1 2 . 1 1 11 11 PHE CB C 11 38.202 38.202 39.150 -0.948 25703 623 1 2 . 1 1 11 11 PHE H H 11 6.632 6.632 7.578 -0.946 25703 624 1 2 . 1 1 12 12 ASP N N 12 118.991 118.991 118.760 0.231 25703 625 1 2 . 1 1 12 12 ASP HA H 12 3.841 3.841 3.856 -0.015 25703 626 1 2 . 1 1 12 12 ASP C C 12 178.286 178.286 178.413 -0.127 25703 627 1 2 . 1 1 12 12 ASP CA C 12 57.547 57.547 57.217 0.330 25703 628 1 2 . 1 1 12 12 ASP CB C 12 40.790 40.790 40.518 0.272 25703 629 1 2 . 1 1 12 12 ASP H H 12 7.687 7.687 8.565 -0.878 25703 630 1 2 . 1 1 13 13 SER N N 13 112.966 112.966 115.523 -2.557 25703 631 1 2 . 1 1 13 13 SER HA H 13 4.022 4.022 4.108 -0.086 25703 632 1 2 . 1 1 13 13 SER C C 13 175.827 175.827 175.992 -0.165 25703 633 1 2 . 1 1 13 13 SER CA C 13 61.410 61.410 61.453 -0.043 25703 634 1 2 . 1 1 13 13 SER CB C 13 63.499 63.499 62.932 0.567 25703 635 1 2 . 1 1 13 13 SER H H 13 7.563 7.563 7.863 -0.300 25703 636 1 2 . 1 1 14 14 ALA N N 14 124.823 124.823 123.853 0.970 25703 637 1 2 . 1 1 14 14 ALA HA H 14 4.025 4.025 4.091 -0.066 25703 638 1 2 . 1 1 14 14 ALA C C 14 179.909 179.909 179.820 0.089 25703 639 1 2 . 1 1 14 14 ALA CA C 14 54.710 54.710 54.585 0.125 25703 640 1 2 . 1 1 14 14 ALA CB C 14 19.286 19.286 18.695 0.591 25703 641 1 2 . 1 1 14 14 ALA H H 14 7.671 7.671 7.186 0.485 25703 642 1 2 . 1 1 15 15 ILE N N 15 108.002 108.002 114.851 -6.849 25703 643 1 2 . 1 1 15 15 ILE HA H 15 3.721 3.721 3.755 -0.034 25703 644 1 2 . 1 1 15 15 ILE C C 15 175.512 175.512 177.102 -1.590 25703 645 1 2 . 1 1 15 15 ILE CA C 15 64.058 64.058 64.098 -0.040 25703 646 1 2 . 1 1 15 15 ILE CB C 15 38.277 38.277 37.066 1.210 25703 647 1 2 . 1 1 15 15 ILE H H 15 7.195 7.195 7.807 -0.612 25703 648 1 2 . 1 1 16 16 ALA N N 16 123.051 123.051 120.545 2.506 25703 649 1 2 . 1 1 16 16 ALA HA H 16 4.013 4.013 4.207 -0.194 25703 650 1 2 . 1 1 16 16 ALA C C 16 176.636 176.636 178.183 -1.547 25703 651 1 2 . 1 1 16 16 ALA CA C 16 52.318 52.318 52.599 -0.281 25703 652 1 2 . 1 1 16 16 ALA CB C 16 18.956 18.956 18.716 0.240 25703 653 1 2 . 1 1 16 16 ALA H H 16 6.623 6.623 7.394 -0.771 25703 654 1 2 . 1 1 17 17 GLN N N 17 116.236 116.236 118.494 -2.258 25703 655 1 2 . 1 1 17 17 GLN HA H 17 4.198 4.198 4.217 -0.019 25703 656 1 2 . 1 1 17 17 GLN C C 17 174.965 174.965 175.590 -0.625 25703 657 1 2 . 1 1 17 17 GLN CA C 17 56.422 56.422 55.068 1.355 25703 658 1 2 . 1 1 17 17 GLN CB C 17 34.338 34.338 29.355 4.983 25703 659 1 2 . 1 1 17 17 GLN H H 17 7.140 7.140 7.447 -0.307 25703 660 1 2 . 1 1 18 18 ASP N N 18 123.905 123.905 120.534 3.371 25703 661 1 2 . 1 1 18 18 ASP HA H 18 4.998 4.998 4.244 0.754 25703 662 1 2 . 1 1 18 18 ASP C C 18 174.817 174.817 175.948 -1.131 25703 663 1 2 . 1 1 18 18 ASP CB C 18 39.414 39.414 41.127 -1.713 25703 664 1 2 . 1 1 18 18 ASP H H 18 8.651 8.651 8.840 -0.189 25703 665 1 2 . 1 1 19 19 LYS N N 19 119.499 119.499 116.764 2.735 25703 666 1 2 . 1 1 19 19 LYS HA H 19 4.384 4.384 4.449 -0.065 25703 667 1 2 . 1 1 19 19 LYS C C 19 172.740 172.740 176.135 -3.395 25703 668 1 2 . 1 1 19 19 LYS CA C 19 55.163 55.163 54.036 1.127 25703 669 1 2 . 1 1 19 19 LYS CB C 19 34.721 34.721 33.571 1.150 25703 670 1 2 . 1 1 19 19 LYS H H 19 7.950 7.950 7.675 0.275 25703 671 1 2 . 1 1 20 20 LEU N N 20 121.877 121.877 123.651 -1.774 25703 672 1 2 . 1 1 20 20 LEU HA H 20 4.972 4.972 4.567 0.405 25703 673 1 2 . 1 1 20 20 LEU C C 20 173.937 173.937 175.652 -1.715 25703 674 1 2 . 1 1 20 20 LEU CA C 20 57.132 57.132 55.632 1.500 25703 675 1 2 . 1 1 20 20 LEU CB C 20 42.012 42.012 40.922 1.090 25703 676 1 2 . 1 1 20 20 LEU H H 20 8.641 8.641 8.695 -0.054 25703 677 1 2 . 1 1 21 21 VAL N N 21 129.812 129.812 128.562 1.250 25703 678 1 2 . 1 1 21 21 VAL HA H 21 4.439 4.439 4.602 -0.163 25703 679 1 2 . 1 1 21 21 VAL C C 21 173.493 173.493 174.715 -1.222 25703 680 1 2 . 1 1 21 21 VAL CA C 21 62.510 62.510 61.025 1.485 25703 681 1 2 . 1 1 21 21 VAL CB C 21 34.732 34.732 32.667 2.065 25703 682 1 2 . 1 1 21 21 VAL H H 21 9.263 9.263 9.120 0.143 25703 683 1 2 . 1 1 22 22 VAL N N 22 131.684 131.684 129.316 2.368 25703 684 1 2 . 1 1 22 22 VAL HA H 22 4.408 4.408 4.795 -0.387 25703 685 1 2 . 1 1 22 22 VAL C C 22 174.331 174.331 174.089 0.242 25703 686 1 2 . 1 1 22 22 VAL CA C 22 61.561 61.561 60.009 1.552 25703 687 1 2 . 1 1 22 22 VAL CB C 22 33.630 33.630 32.603 1.027 25703 688 1 2 . 1 1 22 22 VAL H H 22 9.006 9.006 9.067 -0.061 25703 689 1 2 . 1 1 23 23 VAL N N 23 126.475 126.475 129.979 -3.504 25703 690 1 2 . 1 1 23 23 VAL HA H 23 4.422 4.422 5.397 -0.975 25703 691 1 2 . 1 1 23 23 VAL C C 23 174.342 174.342 174.385 -0.043 25703 692 1 2 . 1 1 23 23 VAL CA C 23 61.672 61.672 59.247 2.425 25703 693 1 2 . 1 1 23 23 VAL CB C 23 34.042 34.042 34.680 -0.638 25703 694 1 2 . 1 1 23 23 VAL H H 23 9.551 9.551 8.208 1.343 25703 695 1 2 . 1 1 24 24 ALA N N 24 131.649 131.649 126.592 5.057 25703 696 1 2 . 1 1 24 24 ALA HA H 24 4.953 4.953 5.451 -0.498 25703 697 1 2 . 1 1 24 24 ALA C C 24 174.683 174.683 177.058 -2.375 25703 698 1 2 . 1 1 24 24 ALA CA C 24 51.712 51.712 49.649 2.063 25703 699 1 2 . 1 1 24 24 ALA CB C 24 20.149 20.149 22.534 -2.385 25703 700 1 2 . 1 1 24 24 ALA H H 24 8.991 8.991 8.149 0.842 25703 701 1 2 . 1 1 25 25 PHE N N 25 124.535 124.535 124.445 0.090 25703 702 1 2 . 1 1 25 25 PHE HA H 25 5.002 5.002 4.462 0.540 25703 703 1 2 . 1 1 25 25 PHE C C 25 174.231 174.231 174.686 -0.455 25703 704 1 2 . 1 1 25 25 PHE CA C 25 58.196 58.196 59.886 -1.690 25703 705 1 2 . 1 1 25 25 PHE CB C 25 40.231 40.231 38.899 1.332 25703 706 1 2 . 1 1 25 25 PHE H H 25 9.231 9.231 8.492 0.739 25703 707 1 2 . 1 1 26 26 TYR N N 26 121.986 121.986 122.870 -0.884 25703 708 1 2 . 1 1 26 26 TYR HA H 26 5.112 5.112 4.711 0.401 25703 709 1 2 . 1 1 26 26 TYR C C 26 170.727 170.727 174.611 -3.884 25703 710 1 2 . 1 1 26 26 TYR CA C 26 55.240 55.240 55.549 -0.309 25703 711 1 2 . 1 1 26 26 TYR CB C 26 43.023 43.023 43.150 -0.127 25703 712 1 2 . 1 1 26 26 TYR H H 26 8.869 8.869 9.102 -0.233 25703 713 1 2 . 1 1 27 27 ALA N N 27 117.474 117.474 119.416 -1.942 25703 714 1 2 . 1 1 27 27 ALA HA H 27 4.329 4.329 4.314 0.015 25703 715 1 2 . 1 1 27 27 ALA C C 27 178.755 178.755 176.606 2.149 25703 716 1 2 . 1 1 27 27 ALA CA C 27 50.966 50.966 51.540 -0.574 25703 717 1 2 . 1 1 27 27 ALA CB C 27 22.735 22.735 20.341 2.394 25703 718 1 2 . 1 1 27 27 ALA H H 27 6.235 6.235 8.048 -1.813 25703 719 1 2 . 1 1 28 28 THR N N 28 119.624 119.624 111.425 8.199 25703 720 1 2 . 1 1 28 28 THR HA H 28 3.907 3.907 4.182 -0.275 25703 721 1 2 . 1 1 28 28 THR C C 28 174.360 174.360 174.289 0.071 25703 722 1 2 . 1 1 28 28 THR CA C 28 65.865 65.865 63.200 2.664 25703 723 1 2 . 1 1 28 28 THR CB C 28 69.336 69.336 68.944 0.392 25703 724 1 2 . 1 1 28 28 THR H H 28 10.381 10.381 8.260 2.121 25703 725 1 2 . 1 1 29 29 TRP N N 29 115.983 115.983 119.319 -3.336 25703 726 1 2 . 1 1 29 29 TRP HA H 29 4.590 4.590 4.965 -0.375 25703 727 1 2 . 1 1 29 29 TRP CA C 29 53.924 53.924 53.236 0.688 25703 728 1 2 . 1 1 29 29 TRP CB C 29 29.460 29.460 27.941 1.519 25703 729 1 2 . 1 1 29 29 TRP H H 29 6.472 6.472 6.620 -0.148 25703 730 1 2 . 1 1 30 30 CYS HA H 30 3.857 3.857 4.982 -1.125 25703 731 1 2 . 1 1 30 30 CYS CA C 30 58.536 58.536 57.384 1.152 25703 732 1 2 . 1 1 30 30 CYS CB C 30 37.005 37.005 30.125 6.880 25703 733 1 2 . 1 1 31 31 GLY CA C 31 48.989 48.989 47.345 1.644 25703 734 1 2 . 1 1 32 32 PRO HA H 32 4.398 4.398 4.270 0.128 25703 735 1 2 . 1 1 32 32 PRO C C 32 177.189 177.189 178.511 -1.322 25703 736 1 2 . 1 1 32 32 PRO CA C 32 65.366 65.366 64.990 0.376 25703 737 1 2 . 1 1 32 32 PRO CB C 32 32.289 32.289 31.187 1.102 25703 738 1 2 . 1 1 33 33 CYS N N 33 111.468 111.468 113.139 -1.671 25703 739 1 2 . 1 1 33 33 CYS HA H 33 4.223 4.223 3.700 0.523 25703 740 1 2 . 1 1 33 33 CYS CA C 33 65.801 65.801 62.273 3.527 25703 741 1 2 . 1 1 33 33 CYS CB C 33 34.949 34.949 26.024 8.925 25703 742 1 2 . 1 1 33 33 CYS H H 33 7.991 7.991 8.502 -0.511 25703 743 1 2 . 1 1 34 34 LYS HA H 34 3.968 3.968 3.887 0.081 25703 744 1 2 . 1 1 34 34 LYS C C 34 178.052 178.052 178.209 -0.157 25703 745 1 2 . 1 1 34 34 LYS CA C 34 59.661 59.661 58.981 0.680 25703 746 1 2 . 1 1 34 34 LYS CB C 34 32.513 32.513 32.287 0.226 25703 747 1 2 . 1 1 35 35 MET N N 35 117.236 117.236 115.489 1.747 25703 748 1 2 . 1 1 35 35 MET HA H 35 4.194 4.194 4.303 -0.109 25703 749 1 2 . 1 1 35 35 MET C C 35 177.451 177.451 178.364 -0.913 25703 750 1 2 . 1 1 35 35 MET CA C 35 57.938 57.938 58.233 -0.295 25703 751 1 2 . 1 1 35 35 MET CB C 35 32.628 32.628 33.284 -0.656 25703 752 1 2 . 1 1 35 35 MET H H 35 7.326 7.326 7.515 -0.189 25703 753 1 2 . 1 1 36 36 ILE N N 36 113.758 113.758 119.510 -5.752 25703 754 1 2 . 1 1 36 36 ILE HA H 36 4.345 4.345 3.864 0.481 25703 755 1 2 . 1 1 36 36 ILE C C 36 176.183 176.183 176.645 -0.462 25703 756 1 2 . 1 1 36 36 ILE CA C 36 60.656 60.656 62.704 -2.048 25703 757 1 2 . 1 1 36 36 ILE CB C 36 39.657 39.657 37.281 2.376 25703 758 1 2 . 1 1 36 36 ILE H H 36 7.315 7.315 8.028 -0.713 25703 759 1 2 . 1 1 37 37 ALA N N 37 126.738 126.738 125.475 1.263 25703 760 1 2 . 1 1 37 37 ALA HA H 37 4.095 4.095 4.487 -0.392 25703 761 1 2 . 1 1 37 37 ALA CA C 37 57.562 57.562 56.138 1.424 25703 762 1 2 . 1 1 37 37 ALA CB C 37 15.912 15.912 16.407 -0.495 25703 763 1 2 . 1 1 37 37 ALA H H 37 7.447 7.447 7.889 -0.442 25703 764 1 2 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.303 -0.033 25703 765 1 2 . 1 1 38 38 PRO C C 38 178.922 178.922 178.718 0.204 25703 766 1 2 . 1 1 38 38 PRO CA C 38 65.743 65.743 65.484 0.259 25703 767 1 2 . 1 1 38 38 PRO CB C 38 31.224 31.224 31.315 -0.091 25703 768 1 2 . 1 1 39 39 MET N N 39 118.310 118.310 118.525 -0.215 25703 769 1 2 . 1 1 39 39 MET HA H 39 3.859 3.859 4.130 -0.271 25703 770 1 2 . 1 1 39 39 MET C C 39 174.441 174.441 178.657 -4.216 25703 771 1 2 . 1 1 39 39 MET CA C 39 58.390 58.390 57.951 0.439 25703 772 1 2 . 1 1 39 39 MET CB C 39 31.394 31.394 31.522 -0.128 25703 773 1 2 . 1 1 39 39 MET H H 39 7.063 7.063 7.323 -0.260 25703 774 1 2 . 1 1 40 40 ILE N N 40 119.013 119.013 118.788 0.225 25703 775 1 2 . 1 1 40 40 ILE HA H 40 3.595 3.595 3.429 0.166 25703 776 1 2 . 1 1 40 40 ILE C C 40 177.267 177.267 178.189 -0.922 25703 777 1 2 . 1 1 40 40 ILE CA C 40 64.393 64.393 64.542 -0.149 25703 778 1 2 . 1 1 40 40 ILE CB C 40 36.259 36.259 37.278 -1.019 25703 779 1 2 . 1 1 40 40 ILE H H 40 7.752 7.752 8.830 -1.078 25703 780 1 2 . 1 1 41 41 GLU N N 41 119.530 119.530 120.535 -1.005 25703 781 1 2 . 1 1 41 41 GLU HA H 41 3.572 3.572 3.866 -0.294 25703 782 1 2 . 1 1 41 41 GLU C C 41 179.597 179.597 178.925 0.672 25703 783 1 2 . 1 1 41 41 GLU CA C 41 59.878 59.878 59.861 0.017 25703 784 1 2 . 1 1 41 41 GLU CB C 41 29.900 29.900 29.042 0.858 25703 785 1 2 . 1 1 41 41 GLU H H 41 7.442 7.442 8.114 -0.672 25703 786 1 2 . 1 1 42 42 LYS N N 42 122.053 122.053 120.662 1.391 25703 787 1 2 . 1 1 42 42 LYS HA H 42 3.932 3.932 4.088 -0.156 25703 788 1 2 . 1 1 42 42 LYS C C 42 179.390 179.390 179.191 0.199 25703 789 1 2 . 1 1 42 42 LYS CA C 42 59.532 59.532 58.535 0.997 25703 790 1 2 . 1 1 42 42 LYS CB C 42 31.281 31.281 31.762 -0.481 25703 791 1 2 . 1 1 42 42 LYS H H 42 7.428 7.428 7.872 -0.444 25703 792 1 2 . 1 1 43 43 PHE N N 43 120.250 120.250 117.269 2.981 25703 793 1 2 . 1 1 43 43 PHE HA H 43 4.639 4.639 4.473 0.166 25703 794 1 2 . 1 1 43 43 PHE C C 43 177.337 177.337 176.801 0.536 25703 795 1 2 . 1 1 43 43 PHE CA C 43 59.331 59.331 57.546 1.785 25703 796 1 2 . 1 1 43 43 PHE CB C 43 37.737 37.737 38.007 -0.270 25703 797 1 2 . 1 1 43 43 PHE H H 43 8.337 8.337 8.436 -0.099 25703 798 1 2 . 1 1 44 44 SER N N 44 117.203 117.203 114.029 3.174 25703 799 1 2 . 1 1 44 44 SER HA H 44 2.967 2.967 2.918 0.049 25703 800 1 2 . 1 1 44 44 SER C C 44 174.934 174.934 174.894 0.040 25703 801 1 2 . 1 1 44 44 SER CA C 44 61.159 61.159 60.256 0.903 25703 802 1 2 . 1 1 44 44 SER CB C 44 62.353 62.353 61.646 0.707 25703 803 1 2 . 1 1 44 44 SER H H 44 7.754 7.754 7.810 -0.056 25703 804 1 2 . 1 1 45 45 GLU N N 45 121.664 121.664 119.643 2.021 25703 805 1 2 . 1 1 45 45 GLU HA H 45 4.049 4.049 4.013 0.036 25703 806 1 2 . 1 1 45 45 GLU C C 45 177.360 177.360 178.087 -0.727 25703 807 1 2 . 1 1 45 45 GLU CA C 45 57.739 57.739 57.796 -0.057 25703 808 1 2 . 1 1 45 45 GLU CB C 45 30.191 30.191 29.746 0.445 25703 809 1 2 . 1 1 45 45 GLU H H 45 6.884 6.884 7.316 -0.432 25703 810 1 2 . 1 1 46 46 GLN N N 46 118.766 118.766 116.715 2.051 25703 811 1 2 . 1 1 46 46 GLN HA H 46 3.948 3.948 4.102 -0.154 25703 812 1 2 . 1 1 46 46 GLN C C 46 177.431 177.431 176.953 0.478 25703 813 1 2 . 1 1 46 46 GLN CA C 46 58.372 58.372 56.888 1.484 25703 814 1 2 . 1 1 46 46 GLN CB C 46 30.160 30.160 29.730 0.430 25703 815 1 2 . 1 1 46 46 GLN H H 46 7.551 7.551 7.474 0.077 25703 816 1 2 . 1 1 47 47 TYR N N 47 117.012 117.012 115.861 1.151 25703 817 1 2 . 1 1 47 47 TYR HA H 47 4.971 4.971 5.039 -0.068 25703 818 1 2 . 1 1 47 47 TYR CA C 47 56.523 56.523 54.094 2.429 25703 819 1 2 . 1 1 47 47 TYR CB C 47 38.479 38.479 37.865 0.614 25703 820 1 2 . 1 1 47 47 TYR H H 47 7.426 7.426 7.595 -0.169 25703 821 1 2 . 1 1 48 48 PRO HA H 48 4.388 4.388 4.607 -0.219 25703 822 1 2 . 1 1 48 48 PRO C C 48 176.927 176.927 177.188 -0.261 25703 823 1 2 . 1 1 48 48 PRO CA C 48 65.425 65.425 64.552 0.873 25703 824 1 2 . 1 1 48 48 PRO CB C 48 32.619 32.619 32.169 0.451 25703 825 1 2 . 1 1 49 49 GLN N N 49 120.194 120.194 117.119 3.075 25703 826 1 2 . 1 1 49 49 GLN HA H 49 4.369 4.369 4.371 -0.002 25703 827 1 2 . 1 1 49 49 GLN C C 49 174.438 174.438 175.319 -0.881 25703 828 1 2 . 1 1 49 49 GLN CA C 49 56.832 56.832 55.426 1.406 25703 829 1 2 . 1 1 49 49 GLN CB C 49 28.164 28.164 28.246 -0.082 25703 830 1 2 . 1 1 49 49 GLN H H 49 9.624 9.624 8.483 1.141 25703 831 1 2 . 1 1 50 50 ALA N N 50 128.180 128.180 121.163 7.017 25703 832 1 2 . 1 1 50 50 ALA HA H 50 5.048 5.048 4.541 0.507 25703 833 1 2 . 1 1 50 50 ALA C C 50 174.685 174.685 175.719 -1.034 25703 834 1 2 . 1 1 50 50 ALA CA C 50 50.518 50.518 50.617 -0.099 25703 835 1 2 . 1 1 50 50 ALA CB C 50 22.754 22.754 21.889 0.865 25703 836 1 2 . 1 1 50 50 ALA H H 50 8.179 8.179 7.212 0.967 25703 837 1 2 . 1 1 51 51 ASP N N 51 121.032 121.032 121.336 -0.304 25703 838 1 2 . 1 1 51 51 ASP HA H 51 5.102 5.102 4.566 0.536 25703 839 1 2 . 1 1 51 51 ASP C C 51 174.171 174.171 174.464 -0.293 25703 840 1 2 . 1 1 51 51 ASP CA C 51 53.515 53.515 53.369 0.146 25703 841 1 2 . 1 1 51 51 ASP CB C 51 44.782 44.782 42.447 2.335 25703 842 1 2 . 1 1 51 51 ASP H H 51 8.435 8.435 8.382 0.053 25703 843 1 2 . 1 1 52 52 PHE N N 52 121.696 121.696 120.921 0.775 25703 844 1 2 . 1 1 52 52 PHE HA H 52 5.172 5.172 5.155 0.017 25703 845 1 2 . 1 1 52 52 PHE C C 52 174.110 174.110 173.513 0.597 25703 846 1 2 . 1 1 52 52 PHE CA C 52 57.189 57.189 55.575 1.614 25703 847 1 2 . 1 1 52 52 PHE CB C 52 42.291 42.291 38.861 3.430 25703 848 1 2 . 1 1 52 52 PHE H H 52 8.983 8.983 7.252 1.731 25703 849 1 2 . 1 1 53 53 TYR N N 53 122.042 122.042 121.795 0.247 25703 850 1 2 . 1 1 53 53 TYR HA H 53 5.495 5.495 5.240 0.255 25703 851 1 2 . 1 1 53 53 TYR C C 53 174.002 174.002 175.420 -1.418 25703 852 1 2 . 1 1 53 53 TYR CA C 53 56.214 56.214 55.793 0.421 25703 853 1 2 . 1 1 53 53 TYR CB C 53 46.407 46.407 42.143 4.264 25703 854 1 2 . 1 1 53 53 TYR H H 53 9.362 9.362 9.021 0.341 25703 855 1 2 . 1 1 54 54 LYS N N 54 116.808 116.808 119.784 -2.976 25703 856 1 2 . 1 1 54 54 LYS HA H 54 5.505 5.505 4.774 0.731 25703 857 1 2 . 1 1 54 54 LYS C C 54 172.792 172.792 174.413 -1.621 25703 858 1 2 . 1 1 54 54 LYS CA C 54 53.943 53.943 54.242 -0.299 25703 859 1 2 . 1 1 54 54 LYS CB C 54 36.950 36.950 35.265 1.685 25703 860 1 2 . 1 1 54 54 LYS H H 54 8.463 8.463 9.018 -0.555 25703 861 1 2 . 1 1 55 55 LEU N N 55 123.826 123.826 122.065 1.761 25703 862 1 2 . 1 1 55 55 LEU HA H 55 4.472 4.472 4.412 0.060 25703 863 1 2 . 1 1 55 55 LEU C C 55 171.652 171.652 175.643 -3.991 25703 864 1 2 . 1 1 55 55 LEU CA C 55 55.906 55.906 53.708 2.198 25703 865 1 2 . 1 1 55 55 LEU CB C 55 46.528 46.528 43.608 2.920 25703 866 1 2 . 1 1 55 55 LEU H H 55 8.688 8.688 8.892 -0.204 25703 867 1 2 . 1 1 56 56 ASP N N 56 127.169 127.169 123.534 3.635 25703 868 1 2 . 1 1 56 56 ASP HA H 56 4.130 4.130 4.738 -0.608 25703 869 1 2 . 1 1 56 56 ASP C C 56 177.692 177.692 176.231 1.461 25703 870 1 2 . 1 1 56 56 ASP CA C 56 54.074 54.074 54.731 -0.657 25703 871 1 2 . 1 1 56 56 ASP CB C 56 41.388 41.388 41.154 0.234 25703 872 1 2 . 1 1 56 56 ASP H H 56 8.595 8.595 8.791 -0.196 25703 873 1 2 . 1 1 57 57 VAL N N 57 123.562 123.562 125.172 -1.610 25703 874 1 2 . 1 1 57 57 VAL HA H 57 3.491 3.491 3.900 -0.409 25703 875 1 2 . 1 1 57 57 VAL C C 57 175.413 175.413 175.505 -0.092 25703 876 1 2 . 1 1 57 57 VAL CA C 57 65.095 65.095 64.707 0.388 25703 877 1 2 . 1 1 57 57 VAL CB C 57 31.658 31.658 31.897 -0.239 25703 878 1 2 . 1 1 57 57 VAL H H 57 8.712 8.712 8.799 -0.087 25703 879 1 2 . 1 1 58 58 ASP N N 58 120.070 120.070 117.222 2.848 25703 880 1 2 . 1 1 58 58 ASP HA H 58 4.827 4.827 4.637 0.190 25703 881 1 2 . 1 1 58 58 ASP C C 58 177.131 177.131 177.760 -0.629 25703 882 1 2 . 1 1 58 58 ASP CA C 58 57.693 57.693 56.609 1.084 25703 883 1 2 . 1 1 58 58 ASP CB C 58 40.827 40.827 40.346 0.481 25703 884 1 2 . 1 1 58 58 ASP H H 58 8.670 8.670 8.414 0.256 25703 885 1 2 . 1 1 59 59 GLU N N 59 120.889 120.889 117.970 2.919 25703 886 1 2 . 1 1 59 59 GLU HA H 59 4.358 4.358 4.583 -0.225 25703 887 1 2 . 1 1 59 59 GLU C C 59 176.606 176.606 177.061 -0.455 25703 888 1 2 . 1 1 59 59 GLU CA C 59 57.881 57.881 55.860 2.021 25703 889 1 2 . 1 1 59 59 GLU CB C 59 32.138 32.138 30.969 1.169 25703 890 1 2 . 1 1 59 59 GLU H H 59 7.616 7.616 8.062 -0.446 25703 891 1 2 . 1 1 60 60 LEU N N 60 122.457 122.457 120.764 1.693 25703 892 1 2 . 1 1 60 60 LEU HA H 60 4.916 4.916 4.749 0.167 25703 893 1 2 . 1 1 60 60 LEU C C 60 176.538 176.538 177.493 -0.955 25703 894 1 2 . 1 1 60 60 LEU CA C 60 52.864 52.864 53.144 -0.280 25703 895 1 2 . 1 1 60 60 LEU CB C 60 42.270 42.270 40.194 2.076 25703 896 1 2 . 1 1 60 60 LEU H H 60 7.690 7.690 8.275 -0.586 25703 897 1 2 . 1 1 61 61 GLY N N 61 112.065 112.065 109.311 2.754 25703 898 1 2 . 1 1 61 61 GLY C C 61 175.917 175.917 175.617 0.300 25703 899 1 2 . 1 1 61 61 GLY CA C 61 48.760 48.760 46.630 2.130 25703 900 1 2 . 1 1 61 61 GLY H H 61 8.267 8.267 8.612 -0.345 25703 901 1 2 . 1 1 62 62 ASP N N 62 120.904 120.904 121.350 -0.446 25703 902 1 2 . 1 1 62 62 ASP HA H 62 4.302 4.302 4.408 -0.106 25703 903 1 2 . 1 1 62 62 ASP C C 62 178.355 178.355 178.154 0.201 25703 904 1 2 . 1 1 62 62 ASP CA C 62 57.045 57.045 57.857 -0.812 25703 905 1 2 . 1 1 62 62 ASP CB C 62 39.646 39.646 40.512 -0.866 25703 906 1 2 . 1 1 62 62 ASP H H 62 9.155 9.155 8.339 0.816 25703 907 1 2 . 1 1 63 63 VAL N N 63 121.465 121.465 119.863 1.602 25703 908 1 2 . 1 1 63 63 VAL HA H 63 3.310 3.310 3.832 -0.522 25703 909 1 2 . 1 1 63 63 VAL C C 63 178.724 178.724 177.014 1.710 25703 910 1 2 . 1 1 63 63 VAL CA C 63 65.878 65.878 65.156 0.722 25703 911 1 2 . 1 1 63 63 VAL CB C 63 31.718 31.718 31.850 -0.132 25703 912 1 2 . 1 1 63 63 VAL H H 63 7.263 7.263 7.797 -0.534 25703 913 1 2 . 1 1 64 64 ALA N N 64 123.341 123.341 121.940 1.401 25703 914 1 2 . 1 1 64 64 ALA HA H 64 3.774 3.774 3.562 0.212 25703 915 1 2 . 1 1 64 64 ALA C C 64 177.984 177.984 179.673 -1.689 25703 916 1 2 . 1 1 64 64 ALA CA C 64 56.326 56.326 55.275 1.051 25703 917 1 2 . 1 1 64 64 ALA CB C 64 18.296 18.296 18.089 0.207 25703 918 1 2 . 1 1 64 64 ALA H H 64 7.248 7.248 7.716 -0.468 25703 919 1 2 . 1 1 65 65 GLN N N 65 118.749 118.749 117.517 1.232 25703 920 1 2 . 1 1 65 65 GLN HA H 65 4.013 4.013 3.981 0.032 25703 921 1 2 . 1 1 65 65 GLN CA C 65 59.524 59.524 58.609 0.915 25703 922 1 2 . 1 1 65 65 GLN CB C 65 28.802 28.802 28.755 0.047 25703 923 1 2 . 1 1 65 65 GLN H H 65 8.276 8.276 8.382 -0.106 25703 924 1 2 . 1 1 66 66 LYS N N 66 120.950 120.950 120.402 0.548 25703 925 1 2 . 1 1 66 66 LYS HA H 66 4.033 4.033 4.147 -0.114 25703 926 1 2 . 1 1 66 66 LYS C C 66 176.439 176.439 177.574 -1.135 25703 927 1 2 . 1 1 66 66 LYS CA C 66 59.276 59.276 58.777 0.499 25703 928 1 2 . 1 1 66 66 LYS CB C 66 32.706 32.706 32.195 0.511 25703 929 1 2 . 1 1 66 66 LYS H H 66 7.984 7.984 8.060 -0.076 25703 930 1 2 . 1 1 67 67 ASN N N 67 115.512 115.512 117.153 -1.641 25703 931 1 2 . 1 1 67 67 ASN HA H 67 4.698 4.698 4.946 -0.248 25703 932 1 2 . 1 1 67 67 ASN C C 67 171.075 171.075 173.977 -2.902 25703 933 1 2 . 1 1 67 67 ASN CA C 67 54.555 54.555 53.732 0.823 25703 934 1 2 . 1 1 67 67 ASN CB C 67 40.572 40.572 39.676 0.896 25703 935 1 2 . 1 1 67 67 ASN H H 67 7.052 7.052 7.713 -0.661 25703 936 1 2 . 1 1 68 68 GLU N N 68 115.540 115.540 114.701 0.839 25703 937 1 2 . 1 1 68 68 GLU HA H 68 3.724 3.724 3.858 -0.134 25703 938 1 2 . 1 1 68 68 GLU C C 68 175.135 175.135 174.781 0.354 25703 939 1 2 . 1 1 68 68 GLU CA C 68 57.472 57.472 56.861 0.611 25703 940 1 2 . 1 1 68 68 GLU CB C 68 27.320 27.320 27.344 -0.024 25703 941 1 2 . 1 1 68 68 GLU H H 68 7.708 7.708 7.551 0.157 25703 942 1 2 . 1 1 69 69 VAL N N 69 121.037 121.037 120.121 0.916 25703 943 1 2 . 1 1 69 69 VAL HA H 69 3.891 3.891 3.923 -0.032 25703 944 1 2 . 1 1 69 69 VAL C C 69 174.845 174.845 175.983 -1.138 25703 945 1 2 . 1 1 69 69 VAL CA C 69 63.315 63.315 62.797 0.518 25703 946 1 2 . 1 1 69 69 VAL CB C 69 31.259 31.259 31.693 -0.434 25703 947 1 2 . 1 1 69 69 VAL H H 69 7.786 7.786 8.118 -0.332 25703 948 1 2 . 1 1 70 70 SER N N 70 123.071 123.071 122.978 0.093 25703 949 1 2 . 1 1 70 70 SER HA H 70 4.453 4.453 4.583 -0.130 25703 950 1 2 . 1 1 70 70 SER C C 70 172.450 172.450 174.179 -1.729 25703 951 1 2 . 1 1 70 70 SER CA C 70 58.194 58.194 58.309 -0.115 25703 952 1 2 . 1 1 70 70 SER CB C 70 65.148 65.148 63.970 1.178 25703 953 1 2 . 1 1 70 70 SER H H 70 8.556 8.556 8.782 -0.226 25703 954 1 2 . 1 1 71 71 ALA N N 71 127.000 127.000 124.799 2.201 25703 955 1 2 . 1 1 71 71 ALA HA H 71 4.554 4.554 4.801 -0.247 25703 956 1 2 . 1 1 71 71 ALA C C 71 175.018 175.018 175.105 -0.087 25703 957 1 2 . 1 1 71 71 ALA CA C 71 51.898 51.898 51.709 0.189 25703 958 1 2 . 1 1 71 71 ALA CB C 71 21.560 21.560 20.698 0.862 25703 959 1 2 . 1 1 71 71 ALA H H 71 7.884 7.884 7.827 0.057 25703 960 1 2 . 1 1 72 72 MET N N 72 120.240 120.240 117.619 2.621 25703 961 1 2 . 1 1 72 72 MET HA H 72 4.827 4.827 5.035 -0.208 25703 962 1 2 . 1 1 72 72 MET CA C 72 57.888 57.888 52.231 5.657 25703 963 1 2 . 1 1 72 72 MET CB C 72 36.102 36.102 33.056 3.046 25703 964 1 2 . 1 1 72 72 MET H H 72 8.664 8.664 8.243 0.421 25703 965 1 2 . 1 1 73 73 PRO HA H 73 4.988 4.988 5.039 -0.051 25703 966 1 2 . 1 1 73 73 PRO C C 73 175.162 175.162 176.164 -1.002 25703 967 1 2 . 1 1 73 73 PRO CA C 73 64.042 64.042 61.932 2.110 25703 968 1 2 . 1 1 73 73 PRO CB C 73 35.151 35.151 33.634 1.517 25703 969 1 2 . 1 1 74 74 THR N N 74 114.942 114.942 115.605 -0.663 25703 970 1 2 . 1 1 74 74 THR HA H 74 4.995 4.995 4.661 0.334 25703 971 1 2 . 1 1 74 74 THR C C 74 170.891 170.891 173.506 -2.615 25703 972 1 2 . 1 1 74 74 THR CA C 74 63.926 63.926 62.244 1.682 25703 973 1 2 . 1 1 74 74 THR CB C 74 73.856 73.856 71.158 2.698 25703 974 1 2 . 1 1 74 74 THR H H 74 7.490 7.490 8.373 -0.883 25703 975 1 2 . 1 1 75 75 LEU N N 75 132.149 132.149 129.056 3.093 25703 976 1 2 . 1 1 75 75 LEU HA H 75 5.493 5.493 5.012 0.481 25703 977 1 2 . 1 1 75 75 LEU C C 75 174.331 174.331 174.903 -0.572 25703 978 1 2 . 1 1 75 75 LEU CA C 75 53.852 53.852 54.104 -0.252 25703 979 1 2 . 1 1 75 75 LEU CB C 75 45.160 45.160 42.270 2.890 25703 980 1 2 . 1 1 75 75 LEU H H 75 9.427 9.427 8.734 0.693 25703 981 1 2 . 1 1 76 76 LEU N N 76 124.814 124.814 125.691 -0.877 25703 982 1 2 . 1 1 76 76 LEU HA H 76 4.932 4.932 4.862 0.070 25703 983 1 2 . 1 1 76 76 LEU C C 76 173.732 173.732 175.797 -2.065 25703 984 1 2 . 1 1 76 76 LEU CA C 76 54.032 54.032 53.859 0.173 25703 985 1 2 . 1 1 76 76 LEU CB C 76 46.726 46.726 43.573 3.153 25703 986 1 2 . 1 1 76 76 LEU H H 76 9.240 9.240 8.580 0.660 25703 987 1 2 . 1 1 77 77 LEU N N 77 123.770 123.770 120.730 3.040 25703 988 1 2 . 1 1 77 77 LEU HA H 77 5.251 5.251 5.429 -0.178 25703 989 1 2 . 1 1 77 77 LEU C C 77 174.442 174.442 176.216 -1.774 25703 990 1 2 . 1 1 77 77 LEU CA C 77 55.087 55.087 53.498 1.589 25703 991 1 2 . 1 1 77 77 LEU CB C 77 43.250 43.250 42.454 0.796 25703 992 1 2 . 1 1 77 77 LEU H H 77 8.175 8.175 8.018 0.157 25703 993 1 2 . 1 1 78 78 PHE N N 78 122.975 122.975 123.226 -0.251 25703 994 1 2 . 1 1 78 78 PHE HA H 78 5.397 5.397 4.865 0.532 25703 995 1 2 . 1 1 78 78 PHE C C 78 173.920 173.920 174.994 -1.074 25703 996 1 2 . 1 1 78 78 PHE CA C 78 56.867 56.867 57.194 -0.327 25703 997 1 2 . 1 1 78 78 PHE CB C 78 44.858 44.858 43.140 1.718 25703 998 1 2 . 1 1 78 78 PHE H H 78 9.742 9.742 9.284 0.458 25703 999 1 2 . 1 1 79 79 LYS N N 79 118.164 118.164 121.344 -3.180 25703 1000 1 2 . 1 1 79 79 LYS HA H 79 4.817 4.817 4.857 -0.040 25703 1001 1 2 . 1 1 79 79 LYS C C 79 177.194 177.194 175.991 1.203 25703 1002 1 2 . 1 1 79 79 LYS CA C 79 57.980 57.980 55.684 2.296 25703 1003 1 2 . 1 1 79 79 LYS CB C 79 37.031 37.031 34.539 2.492 25703 1004 1 2 . 1 1 79 79 LYS H H 79 8.745 8.745 8.589 0.156 25703 1005 1 2 . 1 1 80 80 ASN N N 80 126.660 126.660 125.841 0.819 25703 1006 1 2 . 1 1 80 80 ASN HA H 80 4.291 4.291 4.389 -0.098 25703 1007 1 2 . 1 1 80 80 ASN C C 80 174.868 174.868 175.969 -1.101 25703 1008 1 2 . 1 1 80 80 ASN CA C 80 54.925 54.925 53.813 1.112 25703 1009 1 2 . 1 1 80 80 ASN CB C 80 38.055 38.055 36.363 1.692 25703 1010 1 2 . 1 1 80 80 ASN H H 80 8.893 8.893 9.042 -0.149 25703 1011 1 2 . 1 1 81 81 GLY N N 81 103.991 103.991 105.080 -1.089 25703 1012 1 2 . 1 1 81 81 GLY C C 81 172.724 172.724 174.945 -2.221 25703 1013 1 2 . 1 1 81 81 GLY CA C 81 46.145 46.145 45.760 0.385 25703 1014 1 2 . 1 1 81 81 GLY H H 81 8.639 8.639 8.894 -0.255 25703 1015 1 2 . 1 1 82 82 LYS N N 82 120.266 120.266 119.264 1.002 25703 1016 1 2 . 1 1 82 82 LYS HA H 82 4.937 4.937 4.475 0.462 25703 1017 1 2 . 1 1 82 82 LYS C C 82 174.364 174.364 175.547 -1.183 25703 1018 1 2 . 1 1 82 82 LYS CA C 82 55.602 55.602 55.328 0.274 25703 1019 1 2 . 1 1 82 82 LYS CB C 82 35.830 35.830 33.136 2.694 25703 1020 1 2 . 1 1 82 82 LYS H H 82 7.576 7.576 8.215 -0.639 25703 1021 1 2 . 1 1 83 83 GLU N N 83 126.445 126.445 116.751 9.694 25703 1022 1 2 . 1 1 83 83 GLU HA H 83 3.867 3.867 3.627 0.240 25703 1023 1 2 . 1 1 83 83 GLU C C 83 176.728 176.728 174.484 2.244 25703 1024 1 2 . 1 1 83 83 GLU CA C 83 57.345 57.345 57.269 0.076 25703 1025 1 2 . 1 1 83 83 GLU CB C 83 30.927 30.927 29.587 1.340 25703 1026 1 2 . 1 1 83 83 GLU H H 83 8.819 8.819 7.843 0.976 25703 1027 1 2 . 1 1 84 84 VAL N N 84 123.147 123.147 118.490 4.657 25703 1028 1 2 . 1 1 84 84 VAL HA H 84 4.417 4.417 4.137 0.280 25703 1029 1 2 . 1 1 84 84 VAL C C 84 175.128 175.128 173.770 1.358 25703 1030 1 2 . 1 1 84 84 VAL CA C 84 61.453 61.453 62.075 -0.622 25703 1031 1 2 . 1 1 84 84 VAL CB C 84 33.692 33.692 33.983 -0.291 25703 1032 1 2 . 1 1 84 84 VAL H H 84 9.258 9.258 8.375 0.883 25703 1033 1 2 . 1 1 85 85 ALA N N 85 122.281 122.281 120.745 1.536 25703 1034 1 2 . 1 1 85 85 ALA HA H 85 4.414 4.414 4.557 -0.143 25703 1035 1 2 . 1 1 85 85 ALA C C 85 173.291 173.291 174.522 -1.231 25703 1036 1 2 . 1 1 85 85 ALA CA C 85 53.133 53.133 51.634 1.499 25703 1037 1 2 . 1 1 85 85 ALA CB C 85 22.544 22.544 21.399 1.145 25703 1038 1 2 . 1 1 85 85 ALA H H 85 7.573 7.573 7.581 -0.008 25703 1039 1 2 . 1 1 86 86 LYS N N 86 120.704 120.704 121.393 -0.689 25703 1040 1 2 . 1 1 86 86 LYS HA H 86 4.933 4.933 4.639 0.294 25703 1041 1 2 . 1 1 86 86 LYS C C 86 174.506 174.506 174.598 -0.092 25703 1042 1 2 . 1 1 86 86 LYS CA C 86 55.860 55.860 56.159 -0.299 25703 1043 1 2 . 1 1 86 86 LYS CB C 86 35.979 35.979 34.407 1.571 25703 1044 1 2 . 1 1 86 86 LYS H H 86 8.014 8.014 8.328 -0.314 25703 1045 1 2 . 1 1 87 87 VAL N N 87 126.817 126.817 126.946 -0.129 25703 1046 1 2 . 1 1 87 87 VAL HA H 87 4.276 4.276 4.443 -0.167 25703 1047 1 2 . 1 1 87 87 VAL C C 87 174.002 174.002 174.193 -0.191 25703 1048 1 2 . 1 1 87 87 VAL CA C 87 62.070 62.070 60.983 1.087 25703 1049 1 2 . 1 1 87 87 VAL CB C 87 34.958 34.958 35.211 -0.253 25703 1050 1 2 . 1 1 87 87 VAL H H 87 9.186 9.186 9.152 0.034 25703 1051 1 2 . 1 1 88 88 VAL N N 88 129.683 129.683 120.957 8.726 25703 1052 1 2 . 1 1 88 88 VAL HA H 88 4.446 4.446 4.432 0.014 25703 1053 1 2 . 1 1 88 88 VAL C C 88 175.594 175.594 175.654 -0.060 25703 1054 1 2 . 1 1 88 88 VAL CA C 88 62.462 62.462 60.519 1.943 25703 1055 1 2 . 1 1 88 88 VAL CB C 88 33.275 33.275 30.832 2.443 25703 1056 1 2 . 1 1 88 88 VAL H H 88 9.026 9.026 8.420 0.606 25703 1057 1 2 . 1 1 89 89 GLY N N 89 114.918 114.918 114.595 0.323 25703 1058 1 2 . 1 1 89 89 GLY CA C 89 44.014 44.014 45.762 -1.748 25703 1059 1 2 . 1 1 89 89 GLY H H 89 8.298 8.298 7.737 0.561 25703 1060 1 2 . 1 1 90 90 ALA HA H 90 4.227 4.227 4.316 -0.089 25703 1061 1 2 . 1 1 90 90 ALA C C 90 174.279 174.279 177.278 -2.999 25703 1062 1 2 . 1 1 90 90 ALA CA C 90 50.915 50.915 52.044 -1.129 25703 1063 1 2 . 1 1 90 90 ALA CB C 90 18.480 18.480 17.867 0.613 25703 1064 1 2 . 1 1 91 91 ASN N N 91 121.022 121.022 122.554 -1.532 25703 1065 1 2 . 1 1 91 91 ASN HA H 91 5.114 5.114 5.076 0.038 25703 1066 1 2 . 1 1 91 91 ASN CA C 91 50.500 50.500 50.258 0.242 25703 1067 1 2 . 1 1 91 91 ASN CB C 91 39.514 39.514 37.884 1.630 25703 1068 1 2 . 1 1 91 91 ASN H H 91 7.360 7.360 7.922 -0.562 25703 1069 1 2 . 1 1 92 92 PRO HA H 92 4.116 4.116 4.225 -0.109 25703 1070 1 2 . 1 1 92 92 PRO CA C 92 63.392 63.392 64.747 -1.355 25703 1071 1 2 . 1 1 93 93 ALA HA H 93 4.074 4.074 4.411 -0.337 25703 1072 1 2 . 1 1 93 93 ALA C C 93 179.673 179.673 179.057 0.616 25703 1073 1 2 . 1 1 93 93 ALA CA C 93 55.353 55.353 53.771 1.582 25703 1074 1 2 . 1 1 93 93 ALA CB C 93 18.455 18.455 18.491 -0.036 25703 1075 1 2 . 1 1 94 94 ALA N N 94 121.514 121.514 121.027 0.487 25703 1076 1 2 . 1 1 94 94 ALA HA H 94 4.064 4.064 4.195 -0.131 25703 1077 1 2 . 1 1 94 94 ALA C C 94 180.373 180.373 179.199 1.174 25703 1078 1 2 . 1 1 94 94 ALA CA C 94 55.418 55.418 54.013 1.405 25703 1079 1 2 . 1 1 94 94 ALA CB C 94 19.268 19.268 18.300 0.968 25703 1080 1 2 . 1 1 94 94 ALA H H 94 7.228 7.228 7.963 -0.735 25703 1081 1 2 . 1 1 95 95 ILE N N 95 120.330 120.330 119.943 0.387 25703 1082 1 2 . 1 1 95 95 ILE HA H 95 3.358 3.358 3.790 -0.432 25703 1083 1 2 . 1 1 95 95 ILE C C 95 175.639 175.639 177.362 -1.723 25703 1084 1 2 . 1 1 95 95 ILE CA C 95 66.564 66.564 62.891 3.673 25703 1085 1 2 . 1 1 95 95 ILE CB C 95 38.854 38.854 37.942 0.912 25703 1086 1 2 . 1 1 95 95 ILE H H 95 7.738 7.738 7.874 -0.136 25703 1087 1 2 . 1 1 96 96 LYS N N 96 119.846 119.846 119.556 0.290 25703 1088 1 2 . 1 1 96 96 LYS HA H 96 3.144 3.144 4.061 -0.917 25703 1089 1 2 . 1 1 96 96 LYS C C 96 177.288 177.288 178.764 -1.476 25703 1090 1 2 . 1 1 96 96 LYS CA C 96 60.420 60.420 59.193 1.227 25703 1091 1 2 . 1 1 96 96 LYS CB C 96 32.612 32.612 31.861 0.751 25703 1092 1 2 . 1 1 96 96 LYS H H 96 8.087 8.087 7.767 0.320 25703 1093 1 2 . 1 1 97 97 GLN N N 97 116.484 116.484 119.318 -2.834 25703 1094 1 2 . 1 1 97 97 GLN HA H 97 3.848 3.848 4.048 -0.200 25703 1095 1 2 . 1 1 97 97 GLN C C 97 177.461 177.461 178.143 -0.682 25703 1096 1 2 . 1 1 97 97 GLN CA C 97 59.069 59.069 58.999 0.070 25703 1097 1 2 . 1 1 97 97 GLN CB C 97 28.799 28.799 28.474 0.326 25703 1098 1 2 . 1 1 97 97 GLN H H 97 7.700 7.700 7.699 0.001 25703 1099 1 2 . 1 1 98 98 ALA N N 98 121.852 121.852 121.569 0.283 25703 1100 1 2 . 1 1 98 98 ALA HA H 98 3.921 3.921 4.091 -0.170 25703 1101 1 2 . 1 1 98 98 ALA C C 98 174.452 174.452 179.916 -5.464 25703 1102 1 2 . 1 1 98 98 ALA CA C 98 55.207 55.207 54.853 0.354 25703 1103 1 2 . 1 1 98 98 ALA CB C 98 18.356 18.356 18.554 -0.198 25703 1104 1 2 . 1 1 98 98 ALA H H 98 7.456 7.456 7.600 -0.144 25703 1105 1 2 . 1 1 99 99 ILE N N 99 118.810 118.810 118.706 0.104 25703 1106 1 2 . 1 1 99 99 ILE HA H 99 3.037 3.037 3.761 -0.724 25703 1107 1 2 . 1 1 99 99 ILE C C 99 176.476 176.476 177.846 -1.370 25703 1108 1 2 . 1 1 99 99 ILE CA C 99 65.925 65.925 63.034 2.891 25703 1109 1 2 . 1 1 99 99 ILE CB C 99 38.622 38.622 37.280 1.342 25703 1110 1 2 . 1 1 99 99 ILE H H 99 7.692 7.692 8.605 -0.913 25703 1111 1 2 . 1 1 100 100 ALA N N 100 120.478 120.478 121.887 -1.409 25703 1112 1 2 . 1 1 100 100 ALA HA H 100 3.713 3.713 4.186 -0.473 25703 1113 1 2 . 1 1 100 100 ALA C C 100 179.910 179.910 178.872 1.038 25703 1114 1 2 . 1 1 100 100 ALA CA C 100 55.491 55.491 54.271 1.220 25703 1115 1 2 . 1 1 100 100 ALA CB C 100 18.656 18.656 18.850 -0.194 25703 1116 1 2 . 1 1 100 100 ALA H H 100 8.164 8.164 8.268 -0.104 25703 1117 1 2 . 1 1 101 101 ALA N N 101 116.616 116.616 120.166 -3.550 25703 1118 1 2 . 1 1 101 101 ALA HA H 101 4.084 4.084 4.008 0.076 25703 1119 1 2 . 1 1 101 101 ALA C C 101 177.705 177.705 179.058 -1.353 25703 1120 1 2 . 1 1 101 101 ALA CA C 101 54.113 54.113 54.116 -0.003 25703 1121 1 2 . 1 1 101 101 ALA CB C 101 19.576 19.576 19.217 0.359 25703 1122 1 2 . 1 1 101 101 ALA H H 101 7.649 7.649 7.808 -0.159 25703 1123 1 2 . 1 1 102 102 ASN N N 102 114.293 114.293 114.871 -0.578 25703 1124 1 2 . 1 1 102 102 ASN HA H 102 4.753 4.753 4.632 0.121 25703 1125 1 2 . 1 1 102 102 ASN C C 102 172.210 172.210 176.228 -4.018 25703 1126 1 2 . 1 1 102 102 ASN CA C 102 54.809 54.809 54.348 0.461 25703 1127 1 2 . 1 1 102 102 ASN CB C 102 43.388 43.388 39.469 3.919 25703 1128 1 2 . 1 1 102 102 ASN H H 102 7.110 7.110 7.876 -0.766 25703 1129 1 3 . 1 1 2 2 VAL N N 2 125.982 125.982 121.289 4.693 25703 1130 1 3 . 1 1 2 2 VAL HA H 2 4.054 4.054 4.454 -0.400 25703 1131 1 3 . 1 1 2 2 VAL CA C 2 61.397 61.397 60.469 0.928 25703 1132 1 3 . 1 1 2 2 VAL CB C 2 32.844 32.844 33.617 -0.773 25703 1133 1 3 . 1 1 2 2 VAL H H 2 8.576 8.576 8.153 0.423 25703 1134 1 3 . 1 1 3 3 THR N N 3 126.926 126.926 122.084 4.842 25703 1135 1 3 . 1 1 3 3 THR HA H 3 4.120 4.120 4.609 -0.489 25703 1136 1 3 . 1 1 3 3 THR C C 3 172.671 172.671 173.259 -0.588 25703 1137 1 3 . 1 1 3 3 THR CA C 3 64.010 64.010 61.709 2.301 25703 1138 1 3 . 1 1 3 3 THR CB C 3 70.030 70.030 70.507 -0.477 25703 1139 1 3 . 1 1 3 3 THR H H 3 7.787 7.787 8.161 -0.374 25703 1140 1 3 . 1 1 4 4 GLN N N 4 128.743 128.743 123.433 5.310 25703 1141 1 3 . 1 1 4 4 GLN HA H 4 4.726 4.726 4.760 -0.034 25703 1142 1 3 . 1 1 4 4 GLN C C 4 176.254 176.254 174.842 1.412 25703 1143 1 3 . 1 1 4 4 GLN CA C 4 54.925 54.925 54.244 0.681 25703 1144 1 3 . 1 1 4 4 GLN CB C 4 30.039 30.039 29.584 0.455 25703 1145 1 3 . 1 1 4 4 GLN H H 4 8.976 8.976 8.303 0.673 25703 1146 1 3 . 1 1 5 5 PHE N N 5 127.295 127.295 124.295 3.000 25703 1147 1 3 . 1 1 5 5 PHE HA H 5 4.793 4.793 4.419 0.374 25703 1148 1 3 . 1 1 5 5 PHE C C 5 175.627 175.627 177.115 -1.488 25703 1149 1 3 . 1 1 5 5 PHE CA C 5 59.080 59.080 57.167 1.913 25703 1150 1 3 . 1 1 5 5 PHE CB C 5 41.083 41.083 39.638 1.445 25703 1151 1 3 . 1 1 5 5 PHE H H 5 8.434 8.434 8.483 -0.049 25703 1152 1 3 . 1 1 6 6 LYS N N 6 120.464 120.464 120.769 -0.305 25703 1153 1 3 . 1 1 6 6 LYS HA H 6 4.623 4.623 4.257 0.366 25703 1154 1 3 . 1 1 6 6 LYS C C 6 176.504 176.504 176.094 0.410 25703 1155 1 3 . 1 1 6 6 LYS CA C 6 56.526 56.526 57.035 -0.509 25703 1156 1 3 . 1 1 6 6 LYS CB C 6 34.660 34.660 32.606 2.054 25703 1157 1 3 . 1 1 6 6 LYS H H 6 9.821 9.821 8.630 1.191 25703 1158 1 3 . 1 1 7 7 THR N N 7 108.286 108.286 107.686 0.600 25703 1159 1 3 . 1 1 7 7 THR HA H 7 4.738 4.738 4.658 0.080 25703 1160 1 3 . 1 1 7 7 THR C C 7 173.410 173.410 174.773 -1.363 25703 1161 1 3 . 1 1 7 7 THR CA C 7 59.287 59.287 59.106 0.181 25703 1162 1 3 . 1 1 7 7 THR CB C 7 73.138 73.138 72.273 0.865 25703 1163 1 3 . 1 1 7 7 THR H H 7 7.467 7.467 7.395 0.072 25703 1164 1 3 . 1 1 8 8 ALA N N 8 125.007 125.007 125.986 -0.979 25703 1165 1 3 . 1 1 8 8 ALA HA H 8 3.705 3.705 4.111 -0.406 25703 1166 1 3 . 1 1 8 8 ALA C C 8 178.859 178.859 179.609 -0.750 25703 1167 1 3 . 1 1 8 8 ALA CA C 8 55.453 55.453 55.201 0.252 25703 1168 1 3 . 1 1 8 8 ALA CB C 8 18.689 18.689 17.953 0.736 25703 1169 1 3 . 1 1 8 8 ALA H H 8 9.038 9.038 8.986 0.052 25703 1170 1 3 . 1 1 9 9 SER N N 9 113.408 113.408 114.740 -1.332 25703 1171 1 3 . 1 1 9 9 SER HA H 9 4.124 4.124 4.143 -0.019 25703 1172 1 3 . 1 1 9 9 SER C C 9 176.575 176.575 176.833 -0.258 25703 1173 1 3 . 1 1 9 9 SER CA C 9 61.528 61.528 61.780 -0.252 25703 1174 1 3 . 1 1 9 9 SER CB C 9 62.703 62.703 62.001 0.702 25703 1175 1 3 . 1 1 9 9 SER H H 9 8.159 8.159 8.450 -0.291 25703 1176 1 3 . 1 1 10 10 GLU N N 10 123.005 123.005 121.784 1.221 25703 1177 1 3 . 1 1 10 10 GLU HA H 10 3.853 3.853 3.720 0.133 25703 1178 1 3 . 1 1 10 10 GLU C C 10 178.294 178.294 177.825 0.469 25703 1179 1 3 . 1 1 10 10 GLU CA C 10 59.266 59.266 58.779 0.487 25703 1180 1 3 . 1 1 10 10 GLU CB C 10 31.536 31.536 28.905 2.631 25703 1181 1 3 . 1 1 10 10 GLU H H 10 7.552 7.552 7.836 -0.284 25703 1182 1 3 . 1 1 11 11 PHE N N 11 121.633 121.633 119.789 1.844 25703 1183 1 3 . 1 1 11 11 PHE HA H 11 2.864 2.864 3.562 -0.698 25703 1184 1 3 . 1 1 11 11 PHE C C 11 176.786 176.786 176.843 -0.057 25703 1185 1 3 . 1 1 11 11 PHE CA C 11 61.182 61.182 60.843 0.339 25703 1186 1 3 . 1 1 11 11 PHE CB C 11 38.202 38.202 39.073 -0.871 25703 1187 1 3 . 1 1 11 11 PHE H H 11 6.632 6.632 7.572 -0.940 25703 1188 1 3 . 1 1 12 12 ASP N N 12 118.991 118.991 119.054 -0.063 25703 1189 1 3 . 1 1 12 12 ASP HA H 12 3.841 3.841 3.728 0.113 25703 1190 1 3 . 1 1 12 12 ASP C C 12 178.286 178.286 178.328 -0.042 25703 1191 1 3 . 1 1 12 12 ASP CA C 12 57.547 57.547 57.446 0.101 25703 1192 1 3 . 1 1 12 12 ASP CB C 12 40.790 40.790 40.534 0.256 25703 1193 1 3 . 1 1 12 12 ASP H H 12 7.687 7.687 8.533 -0.846 25703 1194 1 3 . 1 1 13 13 SER N N 13 112.966 112.966 114.890 -1.924 25703 1195 1 3 . 1 1 13 13 SER HA H 13 4.022 4.022 4.084 -0.062 25703 1196 1 3 . 1 1 13 13 SER C C 13 175.827 175.827 175.463 0.364 25703 1197 1 3 . 1 1 13 13 SER CA C 13 61.410 61.410 61.190 0.220 25703 1198 1 3 . 1 1 13 13 SER CB C 13 63.499 63.499 62.953 0.546 25703 1199 1 3 . 1 1 13 13 SER H H 13 7.563 7.563 7.633 -0.070 25703 1200 1 3 . 1 1 14 14 ALA N N 14 124.823 124.823 122.981 1.842 25703 1201 1 3 . 1 1 14 14 ALA HA H 14 4.025 4.025 4.001 0.024 25703 1202 1 3 . 1 1 14 14 ALA C C 14 179.909 179.909 179.598 0.311 25703 1203 1 3 . 1 1 14 14 ALA CA C 14 54.710 54.710 54.510 0.201 25703 1204 1 3 . 1 1 14 14 ALA CB C 14 19.286 19.286 18.792 0.494 25703 1205 1 3 . 1 1 14 14 ALA H H 14 7.671 7.671 7.088 0.583 25703 1206 1 3 . 1 1 15 15 ILE N N 15 108.002 108.002 114.557 -6.555 25703 1207 1 3 . 1 1 15 15 ILE HA H 15 3.721 3.721 3.756 -0.035 25703 1208 1 3 . 1 1 15 15 ILE C C 15 175.512 175.512 176.695 -1.183 25703 1209 1 3 . 1 1 15 15 ILE CA C 15 64.058 64.058 63.923 0.135 25703 1210 1 3 . 1 1 15 15 ILE CB C 15 38.277 38.277 37.041 1.236 25703 1211 1 3 . 1 1 15 15 ILE H H 15 7.195 7.195 7.872 -0.677 25703 1212 1 3 . 1 1 16 16 ALA N N 16 123.051 123.051 120.807 2.244 25703 1213 1 3 . 1 1 16 16 ALA HA H 16 4.013 4.013 4.169 -0.156 25703 1214 1 3 . 1 1 16 16 ALA C C 16 176.636 176.636 178.045 -1.409 25703 1215 1 3 . 1 1 16 16 ALA CA C 16 52.318 52.318 52.511 -0.193 25703 1216 1 3 . 1 1 16 16 ALA CB C 16 18.956 18.956 18.605 0.351 25703 1217 1 3 . 1 1 16 16 ALA H H 16 6.623 6.623 7.402 -0.779 25703 1218 1 3 . 1 1 17 17 GLN N N 17 116.236 116.236 119.154 -2.918 25703 1219 1 3 . 1 1 17 17 GLN HA H 17 4.198 4.198 4.236 -0.038 25703 1220 1 3 . 1 1 17 17 GLN C C 17 174.965 174.965 175.176 -0.211 25703 1221 1 3 . 1 1 17 17 GLN CA C 17 56.422 56.422 55.084 1.338 25703 1222 1 3 . 1 1 17 17 GLN CB C 17 34.338 34.338 29.750 4.588 25703 1223 1 3 . 1 1 17 17 GLN H H 17 7.140 7.140 7.613 -0.473 25703 1224 1 3 . 1 1 18 18 ASP N N 18 123.905 123.905 119.422 4.483 25703 1225 1 3 . 1 1 18 18 ASP HA H 18 4.998 4.998 4.808 0.190 25703 1226 1 3 . 1 1 18 18 ASP C C 18 174.817 174.817 175.553 -0.736 25703 1227 1 3 . 1 1 18 18 ASP CB C 18 39.414 39.414 38.620 0.794 25703 1228 1 3 . 1 1 18 18 ASP H H 18 8.651 8.651 8.522 0.129 25703 1229 1 3 . 1 1 19 19 LYS N N 19 119.499 119.499 117.176 2.323 25703 1230 1 3 . 1 1 19 19 LYS HA H 19 4.384 4.384 4.402 -0.018 25703 1231 1 3 . 1 1 19 19 LYS C C 19 172.740 172.740 174.586 -1.846 25703 1232 1 3 . 1 1 19 19 LYS CA C 19 55.163 55.163 54.714 0.449 25703 1233 1 3 . 1 1 19 19 LYS CB C 19 34.721 34.721 35.438 -0.717 25703 1234 1 3 . 1 1 19 19 LYS H H 19 7.950 7.950 7.848 0.102 25703 1235 1 3 . 1 1 20 20 LEU N N 20 121.877 121.877 124.573 -2.696 25703 1236 1 3 . 1 1 20 20 LEU HA H 20 4.972 4.972 4.625 0.347 25703 1237 1 3 . 1 1 20 20 LEU C C 20 173.937 173.937 175.493 -1.556 25703 1238 1 3 . 1 1 20 20 LEU CA C 20 57.132 57.132 55.129 2.003 25703 1239 1 3 . 1 1 20 20 LEU CB C 20 42.012 42.012 40.868 1.143 25703 1240 1 3 . 1 1 20 20 LEU H H 20 8.641 8.641 8.749 -0.108 25703 1241 1 3 . 1 1 21 21 VAL N N 21 129.812 129.812 128.230 1.582 25703 1242 1 3 . 1 1 21 21 VAL HA H 21 4.439 4.439 4.641 -0.202 25703 1243 1 3 . 1 1 21 21 VAL C C 21 173.493 173.493 174.586 -1.093 25703 1244 1 3 . 1 1 21 21 VAL CA C 21 62.510 62.510 61.459 1.050 25703 1245 1 3 . 1 1 21 21 VAL CB C 21 34.732 34.732 33.526 1.206 25703 1246 1 3 . 1 1 21 21 VAL H H 21 9.263 9.263 9.024 0.239 25703 1247 1 3 . 1 1 22 22 VAL N N 22 131.684 131.684 129.618 2.066 25703 1248 1 3 . 1 1 22 22 VAL HA H 22 4.408 4.408 4.945 -0.537 25703 1249 1 3 . 1 1 22 22 VAL C C 22 174.331 174.331 174.043 0.288 25703 1250 1 3 . 1 1 22 22 VAL CA C 22 61.561 61.561 59.869 1.692 25703 1251 1 3 . 1 1 22 22 VAL CB C 22 33.630 33.630 32.662 0.968 25703 1252 1 3 . 1 1 22 22 VAL H H 22 9.006 9.006 8.795 0.211 25703 1253 1 3 . 1 1 23 23 VAL N N 23 126.475 126.475 130.698 -4.223 25703 1254 1 3 . 1 1 23 23 VAL HA H 23 4.422 4.422 5.383 -0.961 25703 1255 1 3 . 1 1 23 23 VAL C C 23 174.342 174.342 174.337 0.005 25703 1256 1 3 . 1 1 23 23 VAL CA C 23 61.672 61.672 60.393 1.279 25703 1257 1 3 . 1 1 23 23 VAL CB C 23 34.042 34.042 34.622 -0.580 25703 1258 1 3 . 1 1 23 23 VAL H H 23 9.551 9.551 8.752 0.799 25703 1259 1 3 . 1 1 24 24 ALA N N 24 131.649 131.649 129.140 2.509 25703 1260 1 3 . 1 1 24 24 ALA HA H 24 4.953 4.953 5.620 -0.667 25703 1261 1 3 . 1 1 24 24 ALA C C 24 174.683 174.683 177.493 -2.810 25703 1262 1 3 . 1 1 24 24 ALA CA C 24 51.712 51.712 49.486 2.226 25703 1263 1 3 . 1 1 24 24 ALA CB C 24 20.149 20.149 20.877 -0.727 25703 1264 1 3 . 1 1 24 24 ALA H H 24 8.991 8.991 8.772 0.219 25703 1265 1 3 . 1 1 25 25 PHE N N 25 124.535 124.535 126.694 -2.159 25703 1266 1 3 . 1 1 25 25 PHE HA H 25 5.002 5.002 4.629 0.373 25703 1267 1 3 . 1 1 25 25 PHE C C 25 174.231 174.231 175.212 -0.981 25703 1268 1 3 . 1 1 25 25 PHE CA C 25 58.196 58.196 58.963 -0.767 25703 1269 1 3 . 1 1 25 25 PHE CB C 25 40.231 40.231 38.852 1.379 25703 1270 1 3 . 1 1 25 25 PHE H H 25 9.231 9.231 8.736 0.495 25703 1271 1 3 . 1 1 26 26 TYR N N 26 121.986 121.986 121.378 0.608 25703 1272 1 3 . 1 1 26 26 TYR HA H 26 5.112 5.112 4.954 0.158 25703 1273 1 3 . 1 1 26 26 TYR C C 26 170.727 170.727 172.121 -1.394 25703 1274 1 3 . 1 1 26 26 TYR CA C 26 55.240 55.240 56.681 -1.441 25703 1275 1 3 . 1 1 26 26 TYR CB C 26 43.023 43.023 41.036 1.987 25703 1276 1 3 . 1 1 26 26 TYR H H 26 8.869 8.869 9.080 -0.211 25703 1277 1 3 . 1 1 27 27 ALA N N 27 117.474 117.474 122.397 -4.923 25703 1278 1 3 . 1 1 27 27 ALA HA H 27 4.329 4.329 4.230 0.099 25703 1279 1 3 . 1 1 27 27 ALA C C 27 178.755 178.755 176.799 1.956 25703 1280 1 3 . 1 1 27 27 ALA CA C 27 50.966 50.966 49.953 1.013 25703 1281 1 3 . 1 1 27 27 ALA CB C 27 22.735 22.735 20.615 2.120 25703 1282 1 3 . 1 1 27 27 ALA H H 27 6.235 6.235 8.387 -2.152 25703 1283 1 3 . 1 1 28 28 THR N N 28 119.624 119.624 113.188 6.436 25703 1284 1 3 . 1 1 28 28 THR HA H 28 3.907 3.907 4.237 -0.331 25703 1285 1 3 . 1 1 28 28 THR C C 28 174.360 174.360 174.677 -0.317 25703 1286 1 3 . 1 1 28 28 THR CA C 28 65.865 65.865 63.378 2.487 25703 1287 1 3 . 1 1 28 28 THR CB C 28 69.336 69.336 68.982 0.354 25703 1288 1 3 . 1 1 28 28 THR H H 28 10.381 10.381 8.332 2.049 25703 1289 1 3 . 1 1 29 29 TRP N N 29 115.983 115.983 118.885 -2.902 25703 1290 1 3 . 1 1 29 29 TRP HA H 29 4.590 4.590 4.836 -0.246 25703 1291 1 3 . 1 1 29 29 TRP CA C 29 53.924 53.924 54.789 -0.865 25703 1292 1 3 . 1 1 29 29 TRP CB C 29 29.460 29.460 27.775 1.685 25703 1293 1 3 . 1 1 29 29 TRP H H 29 6.472 6.472 7.400 -0.928 25703 1294 1 3 . 1 1 30 30 CYS HA H 30 3.857 3.857 5.112 -1.255 25703 1295 1 3 . 1 1 30 30 CYS CA C 30 58.536 58.536 56.552 1.984 25703 1296 1 3 . 1 1 30 30 CYS CB C 30 37.005 37.005 30.593 6.412 25703 1297 1 3 . 1 1 31 31 GLY CA C 31 48.989 48.989 46.838 2.151 25703 1298 1 3 . 1 1 32 32 PRO HA H 32 4.398 4.398 4.204 0.194 25703 1299 1 3 . 1 1 32 32 PRO C C 32 177.189 177.189 178.546 -1.357 25703 1300 1 3 . 1 1 32 32 PRO CA C 32 65.366 65.366 64.976 0.390 25703 1301 1 3 . 1 1 32 32 PRO CB C 32 32.289 32.289 31.386 0.904 25703 1302 1 3 . 1 1 33 33 CYS N N 33 111.468 111.468 113.019 -1.551 25703 1303 1 3 . 1 1 33 33 CYS HA H 33 4.223 4.223 3.802 0.421 25703 1304 1 3 . 1 1 33 33 CYS CA C 33 65.801 65.801 61.206 4.595 25703 1305 1 3 . 1 1 33 33 CYS CB C 33 34.949 34.949 26.280 8.669 25703 1306 1 3 . 1 1 33 33 CYS H H 33 7.991 7.991 7.974 0.017 25703 1307 1 3 . 1 1 34 34 LYS HA H 34 3.968 3.968 3.974 -0.006 25703 1308 1 3 . 1 1 34 34 LYS C C 34 178.052 178.052 178.719 -0.667 25703 1309 1 3 . 1 1 34 34 LYS CA C 34 59.661 59.661 59.034 0.627 25703 1310 1 3 . 1 1 34 34 LYS CB C 34 32.513 32.513 32.392 0.121 25703 1311 1 3 . 1 1 35 35 MET N N 35 117.236 117.236 117.079 0.157 25703 1312 1 3 . 1 1 35 35 MET HA H 35 4.194 4.194 4.140 0.054 25703 1313 1 3 . 1 1 35 35 MET C C 35 177.451 177.451 178.277 -0.826 25703 1314 1 3 . 1 1 35 35 MET CA C 35 57.938 57.938 58.519 -0.581 25703 1315 1 3 . 1 1 35 35 MET CB C 35 32.628 32.628 32.789 -0.162 25703 1316 1 3 . 1 1 35 35 MET H H 35 7.326 7.326 7.612 -0.286 25703 1317 1 3 . 1 1 36 36 ILE N N 36 113.758 113.758 119.308 -5.550 25703 1318 1 3 . 1 1 36 36 ILE HA H 36 4.345 4.345 3.743 0.602 25703 1319 1 3 . 1 1 36 36 ILE C C 36 176.183 176.183 176.542 -0.359 25703 1320 1 3 . 1 1 36 36 ILE CA C 36 60.656 60.656 62.753 -2.097 25703 1321 1 3 . 1 1 36 36 ILE CB C 36 39.657 39.657 37.241 2.416 25703 1322 1 3 . 1 1 36 36 ILE H H 36 7.315 7.315 8.036 -0.721 25703 1323 1 3 . 1 1 37 37 ALA N N 37 126.738 126.738 124.940 1.798 25703 1324 1 3 . 1 1 37 37 ALA HA H 37 4.095 4.095 3.875 0.220 25703 1325 1 3 . 1 1 37 37 ALA CA C 37 57.562 57.562 56.559 1.002 25703 1326 1 3 . 1 1 37 37 ALA CB C 37 15.912 15.912 16.031 -0.119 25703 1327 1 3 . 1 1 37 37 ALA H H 37 7.447 7.447 7.689 -0.242 25703 1328 1 3 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.135 0.135 25703 1329 1 3 . 1 1 38 38 PRO C C 38 178.922 178.922 178.569 0.353 25703 1330 1 3 . 1 1 38 38 PRO CA C 38 65.743 65.743 65.359 0.384 25703 1331 1 3 . 1 1 38 38 PRO CB C 38 31.224 31.224 31.251 -0.027 25703 1332 1 3 . 1 1 39 39 MET N N 39 118.310 118.310 117.895 0.415 25703 1333 1 3 . 1 1 39 39 MET HA H 39 3.859 3.859 3.813 0.046 25703 1334 1 3 . 1 1 39 39 MET C C 39 174.441 174.441 178.341 -3.900 25703 1335 1 3 . 1 1 39 39 MET CA C 39 58.390 58.390 57.812 0.578 25703 1336 1 3 . 1 1 39 39 MET CB C 39 31.394 31.394 31.223 0.171 25703 1337 1 3 . 1 1 39 39 MET H H 39 7.063 7.063 7.196 -0.133 25703 1338 1 3 . 1 1 40 40 ILE N N 40 119.013 119.013 118.431 0.582 25703 1339 1 3 . 1 1 40 40 ILE HA H 40 3.595 3.595 3.215 0.380 25703 1340 1 3 . 1 1 40 40 ILE C C 40 177.267 177.267 177.708 -0.441 25703 1341 1 3 . 1 1 40 40 ILE CA C 40 64.393 64.393 64.534 -0.141 25703 1342 1 3 . 1 1 40 40 ILE CB C 40 36.259 36.259 37.025 -0.766 25703 1343 1 3 . 1 1 40 40 ILE H H 40 7.752 7.752 8.430 -0.678 25703 1344 1 3 . 1 1 41 41 GLU N N 41 119.530 119.530 120.697 -1.167 25703 1345 1 3 . 1 1 41 41 GLU HA H 41 3.572 3.572 3.773 -0.201 25703 1346 1 3 . 1 1 41 41 GLU C C 41 179.597 179.597 178.895 0.702 25703 1347 1 3 . 1 1 41 41 GLU CA C 41 59.878 59.878 59.259 0.619 25703 1348 1 3 . 1 1 41 41 GLU CB C 41 29.900 29.900 29.464 0.436 25703 1349 1 3 . 1 1 41 41 GLU H H 41 7.442 7.442 7.442 -0.000 25703 1350 1 3 . 1 1 42 42 LYS N N 42 122.053 122.053 121.524 0.529 25703 1351 1 3 . 1 1 42 42 LYS HA H 42 3.932 3.932 4.095 -0.163 25703 1352 1 3 . 1 1 42 42 LYS C C 42 179.390 179.390 179.328 0.062 25703 1353 1 3 . 1 1 42 42 LYS CA C 42 59.532 59.532 58.530 1.002 25703 1354 1 3 . 1 1 42 42 LYS CB C 42 31.281 31.281 31.689 -0.408 25703 1355 1 3 . 1 1 42 42 LYS H H 42 7.428 7.428 8.051 -0.623 25703 1356 1 3 . 1 1 43 43 PHE N N 43 120.250 120.250 116.576 3.674 25703 1357 1 3 . 1 1 43 43 PHE HA H 43 4.639 4.639 4.454 0.185 25703 1358 1 3 . 1 1 43 43 PHE C C 43 177.337 177.337 176.434 0.903 25703 1359 1 3 . 1 1 43 43 PHE CA C 43 59.331 59.331 58.033 1.298 25703 1360 1 3 . 1 1 43 43 PHE CB C 43 37.737 37.737 38.170 -0.433 25703 1361 1 3 . 1 1 43 43 PHE H H 43 8.337 8.337 8.246 0.091 25703 1362 1 3 . 1 1 44 44 SER N N 44 117.203 117.203 113.511 3.692 25703 1363 1 3 . 1 1 44 44 SER HA H 44 2.967 2.967 3.114 -0.147 25703 1364 1 3 . 1 1 44 44 SER C C 44 174.934 174.934 175.315 -0.381 25703 1365 1 3 . 1 1 44 44 SER CA C 44 61.159 61.159 59.414 1.745 25703 1366 1 3 . 1 1 44 44 SER CB C 44 62.353 62.353 63.270 -0.917 25703 1367 1 3 . 1 1 44 44 SER H H 44 7.754 7.754 7.400 0.354 25703 1368 1 3 . 1 1 45 45 GLU N N 45 121.664 121.664 120.420 1.244 25703 1369 1 3 . 1 1 45 45 GLU HA H 45 4.049 4.049 4.379 -0.330 25703 1370 1 3 . 1 1 45 45 GLU C C 45 177.360 177.360 177.051 0.309 25703 1371 1 3 . 1 1 45 45 GLU CA C 45 57.739 57.739 56.931 0.808 25703 1372 1 3 . 1 1 45 45 GLU CB C 45 30.191 30.191 30.407 -0.215 25703 1373 1 3 . 1 1 45 45 GLU H H 45 6.884 6.884 7.821 -0.937 25703 1374 1 3 . 1 1 46 46 GLN N N 46 118.766 118.766 117.045 1.721 25703 1375 1 3 . 1 1 46 46 GLN HA H 46 3.948 3.948 4.606 -0.658 25703 1376 1 3 . 1 1 46 46 GLN C C 46 177.431 177.431 174.617 2.814 25703 1377 1 3 . 1 1 46 46 GLN CA C 46 58.372 58.372 54.622 3.750 25703 1378 1 3 . 1 1 46 46 GLN CB C 46 30.160 30.160 28.806 1.353 25703 1379 1 3 . 1 1 46 46 GLN H H 46 7.551 7.551 7.646 -0.095 25703 1380 1 3 . 1 1 47 47 TYR N N 47 117.012 117.012 117.496 -0.484 25703 1381 1 3 . 1 1 47 47 TYR HA H 47 4.971 4.971 5.059 -0.088 25703 1382 1 3 . 1 1 47 47 TYR CA C 47 56.523 56.523 52.973 3.550 25703 1383 1 3 . 1 1 47 47 TYR CB C 47 38.479 38.479 37.536 0.943 25703 1384 1 3 . 1 1 47 47 TYR H H 47 7.426 7.426 7.993 -0.567 25703 1385 1 3 . 1 1 48 48 PRO HA H 48 4.388 4.388 4.210 0.178 25703 1386 1 3 . 1 1 48 48 PRO C C 48 176.927 176.927 177.242 -0.315 25703 1387 1 3 . 1 1 48 48 PRO CA C 48 65.425 65.425 65.277 0.148 25703 1388 1 3 . 1 1 48 48 PRO CB C 48 32.619 32.619 31.859 0.760 25703 1389 1 3 . 1 1 49 49 GLN N N 49 120.194 120.194 116.343 3.851 25703 1390 1 3 . 1 1 49 49 GLN HA H 49 4.369 4.369 4.401 -0.032 25703 1391 1 3 . 1 1 49 49 GLN C C 49 174.438 174.438 173.921 0.517 25703 1392 1 3 . 1 1 49 49 GLN CA C 49 56.832 56.832 54.139 2.693 25703 1393 1 3 . 1 1 49 49 GLN CB C 49 28.164 28.164 28.482 -0.318 25703 1394 1 3 . 1 1 49 49 GLN H H 49 9.624 9.624 8.348 1.276 25703 1395 1 3 . 1 1 50 50 ALA N N 50 128.180 128.180 120.239 7.941 25703 1396 1 3 . 1 1 50 50 ALA HA H 50 5.048 5.048 4.399 0.649 25703 1397 1 3 . 1 1 50 50 ALA C C 50 174.685 174.685 174.972 -0.287 25703 1398 1 3 . 1 1 50 50 ALA CA C 50 50.518 50.518 50.601 -0.083 25703 1399 1 3 . 1 1 50 50 ALA CB C 50 22.754 22.754 21.687 1.067 25703 1400 1 3 . 1 1 50 50 ALA H H 50 8.179 8.179 7.309 0.870 25703 1401 1 3 . 1 1 51 51 ASP N N 51 121.032 121.032 119.386 1.646 25703 1402 1 3 . 1 1 51 51 ASP HA H 51 5.102 5.102 4.587 0.515 25703 1403 1 3 . 1 1 51 51 ASP C C 51 174.171 174.171 174.189 -0.018 25703 1404 1 3 . 1 1 51 51 ASP CA C 51 53.515 53.515 53.274 0.241 25703 1405 1 3 . 1 1 51 51 ASP CB C 51 44.782 44.782 44.009 0.773 25703 1406 1 3 . 1 1 51 51 ASP H H 51 8.435 8.435 7.972 0.463 25703 1407 1 3 . 1 1 52 52 PHE N N 52 121.696 121.696 123.553 -1.857 25703 1408 1 3 . 1 1 52 52 PHE HA H 52 5.172 5.172 4.904 0.268 25703 1409 1 3 . 1 1 52 52 PHE C C 52 174.110 174.110 174.481 -0.371 25703 1410 1 3 . 1 1 52 52 PHE CA C 52 57.189 57.189 57.059 0.130 25703 1411 1 3 . 1 1 52 52 PHE CB C 52 42.291 42.291 40.421 1.870 25703 1412 1 3 . 1 1 52 52 PHE H H 52 8.983 8.983 8.515 0.468 25703 1413 1 3 . 1 1 53 53 TYR N N 53 122.042 122.042 123.023 -0.981 25703 1414 1 3 . 1 1 53 53 TYR HA H 53 5.495 5.495 5.130 0.365 25703 1415 1 3 . 1 1 53 53 TYR C C 53 174.002 174.002 174.889 -0.887 25703 1416 1 3 . 1 1 53 53 TYR CA C 53 56.214 56.214 56.223 -0.009 25703 1417 1 3 . 1 1 53 53 TYR CB C 53 46.407 46.407 41.746 4.661 25703 1418 1 3 . 1 1 53 53 TYR H H 53 9.362 9.362 9.497 -0.135 25703 1419 1 3 . 1 1 54 54 LYS N N 54 116.808 116.808 122.186 -5.378 25703 1420 1 3 . 1 1 54 54 LYS HA H 54 5.505 5.505 4.904 0.601 25703 1421 1 3 . 1 1 54 54 LYS C C 54 172.792 172.792 174.925 -2.133 25703 1422 1 3 . 1 1 54 54 LYS CA C 54 53.943 53.943 55.146 -1.203 25703 1423 1 3 . 1 1 54 54 LYS CB C 54 36.950 36.950 35.470 1.480 25703 1424 1 3 . 1 1 54 54 LYS H H 54 8.463 8.463 8.966 -0.503 25703 1425 1 3 . 1 1 55 55 LEU N N 55 123.826 123.826 125.965 -2.139 25703 1426 1 3 . 1 1 55 55 LEU HA H 55 4.472 4.472 4.331 0.141 25703 1427 1 3 . 1 1 55 55 LEU C C 55 171.652 171.652 175.926 -4.274 25703 1428 1 3 . 1 1 55 55 LEU CA C 55 55.906 55.906 53.719 2.187 25703 1429 1 3 . 1 1 55 55 LEU CB C 55 46.528 46.528 42.676 3.852 25703 1430 1 3 . 1 1 55 55 LEU H H 55 8.688 8.688 8.534 0.154 25703 1431 1 3 . 1 1 56 56 ASP N N 56 127.169 127.169 124.322 2.847 25703 1432 1 3 . 1 1 56 56 ASP HA H 56 4.130 4.130 4.734 -0.604 25703 1433 1 3 . 1 1 56 56 ASP C C 56 177.692 177.692 177.311 0.381 25703 1434 1 3 . 1 1 56 56 ASP CA C 56 54.074 54.074 53.150 0.924 25703 1435 1 3 . 1 1 56 56 ASP CB C 56 41.388 41.388 40.303 1.085 25703 1436 1 3 . 1 1 56 56 ASP H H 56 8.595 8.595 8.561 0.034 25703 1437 1 3 . 1 1 57 57 VAL N N 57 123.562 123.562 124.487 -0.925 25703 1438 1 3 . 1 1 57 57 VAL HA H 57 3.491 3.491 3.857 -0.366 25703 1439 1 3 . 1 1 57 57 VAL C C 57 175.413 175.413 175.974 -0.561 25703 1440 1 3 . 1 1 57 57 VAL CA C 57 65.095 65.095 64.503 0.592 25703 1441 1 3 . 1 1 57 57 VAL CB C 57 31.658 31.658 31.884 -0.226 25703 1442 1 3 . 1 1 57 57 VAL H H 57 8.712 8.712 7.635 1.077 25703 1443 1 3 . 1 1 58 58 ASP N N 58 120.070 120.070 118.375 1.695 25703 1444 1 3 . 1 1 58 58 ASP HA H 58 4.827 4.827 4.362 0.465 25703 1445 1 3 . 1 1 58 58 ASP C C 58 177.131 177.131 177.775 -0.644 25703 1446 1 3 . 1 1 58 58 ASP CA C 58 57.693 57.693 56.714 0.979 25703 1447 1 3 . 1 1 58 58 ASP CB C 58 40.827 40.827 40.856 -0.029 25703 1448 1 3 . 1 1 58 58 ASP H H 58 8.670 8.670 8.220 0.450 25703 1449 1 3 . 1 1 59 59 GLU N N 59 120.889 120.889 117.015 3.874 25703 1450 1 3 . 1 1 59 59 GLU HA H 59 4.358 4.358 4.419 -0.061 25703 1451 1 3 . 1 1 59 59 GLU C C 59 176.606 176.606 177.412 -0.806 25703 1452 1 3 . 1 1 59 59 GLU CA C 59 57.881 57.881 56.717 1.164 25703 1453 1 3 . 1 1 59 59 GLU CB C 59 32.138 32.138 31.168 0.970 25703 1454 1 3 . 1 1 59 59 GLU H H 59 7.616 7.616 7.878 -0.262 25703 1455 1 3 . 1 1 60 60 LEU N N 60 122.457 122.457 120.831 1.626 25703 1456 1 3 . 1 1 60 60 LEU HA H 60 4.916 4.916 4.701 0.215 25703 1457 1 3 . 1 1 60 60 LEU C C 60 176.538 176.538 177.382 -0.844 25703 1458 1 3 . 1 1 60 60 LEU CA C 60 52.864 52.864 53.196 -0.332 25703 1459 1 3 . 1 1 60 60 LEU CB C 60 42.270 42.270 40.298 1.972 25703 1460 1 3 . 1 1 60 60 LEU H H 60 7.690 7.690 8.139 -0.449 25703 1461 1 3 . 1 1 61 61 GLY N N 61 112.065 112.065 109.316 2.749 25703 1462 1 3 . 1 1 61 61 GLY C C 61 175.917 175.917 175.707 0.210 25703 1463 1 3 . 1 1 61 61 GLY CA C 61 48.760 48.760 46.704 2.056 25703 1464 1 3 . 1 1 61 61 GLY H H 61 8.267 8.267 7.935 0.332 25703 1465 1 3 . 1 1 62 62 ASP N N 62 120.904 120.904 121.144 -0.240 25703 1466 1 3 . 1 1 62 62 ASP HA H 62 4.302 4.302 4.423 -0.121 25703 1467 1 3 . 1 1 62 62 ASP C C 62 178.355 178.355 178.117 0.238 25703 1468 1 3 . 1 1 62 62 ASP CA C 62 57.045 57.045 57.654 -0.609 25703 1469 1 3 . 1 1 62 62 ASP CB C 62 39.646 39.646 40.447 -0.801 25703 1470 1 3 . 1 1 62 62 ASP H H 62 9.155 9.155 8.394 0.761 25703 1471 1 3 . 1 1 63 63 VAL N N 63 121.465 121.465 119.932 1.533 25703 1472 1 3 . 1 1 63 63 VAL HA H 63 3.310 3.310 3.792 -0.482 25703 1473 1 3 . 1 1 63 63 VAL C C 63 178.724 178.724 176.958 1.766 25703 1474 1 3 . 1 1 63 63 VAL CA C 63 65.878 65.878 65.231 0.647 25703 1475 1 3 . 1 1 63 63 VAL CB C 63 31.718 31.718 31.886 -0.168 25703 1476 1 3 . 1 1 63 63 VAL H H 63 7.263 7.263 7.770 -0.507 25703 1477 1 3 . 1 1 64 64 ALA N N 64 123.341 123.341 121.717 1.624 25703 1478 1 3 . 1 1 64 64 ALA HA H 64 3.774 3.774 3.331 0.443 25703 1479 1 3 . 1 1 64 64 ALA C C 64 177.984 177.984 179.677 -1.693 25703 1480 1 3 . 1 1 64 64 ALA CA C 64 56.326 56.326 55.177 1.149 25703 1481 1 3 . 1 1 64 64 ALA CB C 64 18.296 18.296 18.125 0.171 25703 1482 1 3 . 1 1 64 64 ALA H H 64 7.248 7.248 7.664 -0.416 25703 1483 1 3 . 1 1 65 65 GLN N N 65 118.749 118.749 116.645 2.104 25703 1484 1 3 . 1 1 65 65 GLN HA H 65 4.013 4.013 4.076 -0.063 25703 1485 1 3 . 1 1 65 65 GLN CA C 65 59.524 59.524 57.531 1.993 25703 1486 1 3 . 1 1 65 65 GLN CB C 65 28.802 28.802 28.537 0.265 25703 1487 1 3 . 1 1 65 65 GLN H H 65 8.276 8.276 8.141 0.135 25703 1488 1 3 . 1 1 66 66 LYS N N 66 120.950 120.950 118.506 2.444 25703 1489 1 3 . 1 1 66 66 LYS HA H 66 4.033 4.033 4.134 -0.101 25703 1490 1 3 . 1 1 66 66 LYS C C 66 176.439 176.439 177.941 -1.502 25703 1491 1 3 . 1 1 66 66 LYS CA C 66 59.276 59.276 58.308 0.968 25703 1492 1 3 . 1 1 66 66 LYS CB C 66 32.706 32.706 32.139 0.567 25703 1493 1 3 . 1 1 66 66 LYS H H 66 7.984 7.984 7.922 0.062 25703 1494 1 3 . 1 1 67 67 ASN N N 67 115.512 115.512 116.515 -1.003 25703 1495 1 3 . 1 1 67 67 ASN HA H 67 4.698 4.698 4.908 -0.210 25703 1496 1 3 . 1 1 67 67 ASN C C 67 171.075 171.075 173.608 -2.533 25703 1497 1 3 . 1 1 67 67 ASN CA C 67 54.555 54.555 53.444 1.111 25703 1498 1 3 . 1 1 67 67 ASN CB C 67 40.572 40.572 38.686 1.886 25703 1499 1 3 . 1 1 67 67 ASN H H 67 7.052 7.052 7.536 -0.484 25703 1500 1 3 . 1 1 68 68 GLU N N 68 115.540 115.540 115.413 0.127 25703 1501 1 3 . 1 1 68 68 GLU HA H 68 3.724 3.724 3.813 -0.089 25703 1502 1 3 . 1 1 68 68 GLU C C 68 175.135 175.135 174.731 0.404 25703 1503 1 3 . 1 1 68 68 GLU CA C 68 57.472 57.472 56.978 0.494 25703 1504 1 3 . 1 1 68 68 GLU CB C 68 27.320 27.320 27.222 0.098 25703 1505 1 3 . 1 1 68 68 GLU H H 68 7.708 7.708 7.563 0.145 25703 1506 1 3 . 1 1 69 69 VAL N N 69 121.037 121.037 120.511 0.526 25703 1507 1 3 . 1 1 69 69 VAL HA H 69 3.891 3.891 3.996 -0.105 25703 1508 1 3 . 1 1 69 69 VAL C C 69 174.845 174.845 175.725 -0.880 25703 1509 1 3 . 1 1 69 69 VAL CA C 69 63.315 63.315 62.462 0.853 25703 1510 1 3 . 1 1 69 69 VAL CB C 69 31.259 31.259 32.182 -0.923 25703 1511 1 3 . 1 1 69 69 VAL H H 69 7.786 7.786 8.081 -0.295 25703 1512 1 3 . 1 1 70 70 SER N N 70 123.071 123.071 122.328 0.743 25703 1513 1 3 . 1 1 70 70 SER HA H 70 4.453 4.453 4.631 -0.178 25703 1514 1 3 . 1 1 70 70 SER C C 70 172.450 172.450 173.572 -1.122 25703 1515 1 3 . 1 1 70 70 SER CA C 70 58.194 58.194 57.769 0.425 25703 1516 1 3 . 1 1 70 70 SER CB C 70 65.148 65.148 63.322 1.826 25703 1517 1 3 . 1 1 70 70 SER H H 70 8.556 8.556 8.771 -0.215 25703 1518 1 3 . 1 1 71 71 ALA N N 71 127.000 127.000 124.942 2.058 25703 1519 1 3 . 1 1 71 71 ALA HA H 71 4.554 4.554 4.767 -0.213 25703 1520 1 3 . 1 1 71 71 ALA C C 71 175.018 175.018 175.117 -0.099 25703 1521 1 3 . 1 1 71 71 ALA CA C 71 51.898 51.898 51.944 -0.046 25703 1522 1 3 . 1 1 71 71 ALA CB C 71 21.560 21.560 21.287 0.273 25703 1523 1 3 . 1 1 71 71 ALA H H 71 7.884 7.884 7.745 0.139 25703 1524 1 3 . 1 1 72 72 MET N N 72 120.240 120.240 120.425 -0.185 25703 1525 1 3 . 1 1 72 72 MET HA H 72 4.827 4.827 5.414 -0.587 25703 1526 1 3 . 1 1 72 72 MET CA C 72 57.888 57.888 51.531 6.357 25703 1527 1 3 . 1 1 72 72 MET CB C 72 36.102 36.102 33.080 3.022 25703 1528 1 3 . 1 1 72 72 MET H H 72 8.664 8.664 8.427 0.237 25703 1529 1 3 . 1 1 73 73 PRO HA H 73 4.988 4.988 5.279 -0.291 25703 1530 1 3 . 1 1 73 73 PRO C C 73 175.162 175.162 176.139 -0.977 25703 1531 1 3 . 1 1 73 73 PRO CA C 73 64.042 64.042 62.144 1.898 25703 1532 1 3 . 1 1 73 73 PRO CB C 73 35.151 35.151 34.016 1.135 25703 1533 1 3 . 1 1 74 74 THR N N 74 114.942 114.942 115.033 -0.091 25703 1534 1 3 . 1 1 74 74 THR HA H 74 4.995 4.995 4.686 0.309 25703 1535 1 3 . 1 1 74 74 THR C C 74 170.891 170.891 173.521 -2.630 25703 1536 1 3 . 1 1 74 74 THR CA C 74 63.926 63.926 62.020 1.906 25703 1537 1 3 . 1 1 74 74 THR CB C 74 73.856 73.856 70.936 2.920 25703 1538 1 3 . 1 1 74 74 THR H H 74 7.490 7.490 8.430 -0.940 25703 1539 1 3 . 1 1 75 75 LEU N N 75 132.149 132.149 129.626 2.523 25703 1540 1 3 . 1 1 75 75 LEU HA H 75 5.493 5.493 5.061 0.432 25703 1541 1 3 . 1 1 75 75 LEU C C 75 174.331 174.331 174.748 -0.417 25703 1542 1 3 . 1 1 75 75 LEU CA C 75 53.852 53.852 54.061 -0.209 25703 1543 1 3 . 1 1 75 75 LEU CB C 75 45.160 45.160 42.173 2.987 25703 1544 1 3 . 1 1 75 75 LEU H H 75 9.427 9.427 9.086 0.341 25703 1545 1 3 . 1 1 76 76 LEU N N 76 124.814 124.814 125.480 -0.666 25703 1546 1 3 . 1 1 76 76 LEU HA H 76 4.932 4.932 4.759 0.173 25703 1547 1 3 . 1 1 76 76 LEU C C 76 173.732 173.732 175.567 -1.835 25703 1548 1 3 . 1 1 76 76 LEU CA C 76 54.032 54.032 53.782 0.250 25703 1549 1 3 . 1 1 76 76 LEU CB C 76 46.726 46.726 43.629 3.097 25703 1550 1 3 . 1 1 76 76 LEU H H 76 9.240 9.240 9.037 0.203 25703 1551 1 3 . 1 1 77 77 LEU N N 77 123.770 123.770 120.287 3.483 25703 1552 1 3 . 1 1 77 77 LEU HA H 77 5.251 5.251 5.335 -0.084 25703 1553 1 3 . 1 1 77 77 LEU C C 77 174.442 174.442 176.150 -1.708 25703 1554 1 3 . 1 1 77 77 LEU CA C 77 55.087 55.087 53.584 1.503 25703 1555 1 3 . 1 1 77 77 LEU CB C 77 43.250 43.250 42.432 0.818 25703 1556 1 3 . 1 1 77 77 LEU H H 77 8.175 8.175 7.963 0.212 25703 1557 1 3 . 1 1 78 78 PHE N N 78 122.975 122.975 122.830 0.145 25703 1558 1 3 . 1 1 78 78 PHE HA H 78 5.397 5.397 4.928 0.469 25703 1559 1 3 . 1 1 78 78 PHE C C 78 173.920 173.920 175.009 -1.089 25703 1560 1 3 . 1 1 78 78 PHE CA C 78 56.867 56.867 57.145 -0.278 25703 1561 1 3 . 1 1 78 78 PHE CB C 78 44.858 44.858 43.101 1.757 25703 1562 1 3 . 1 1 78 78 PHE H H 78 9.742 9.742 9.431 0.311 25703 1563 1 3 . 1 1 79 79 LYS N N 79 118.164 118.164 121.694 -3.530 25703 1564 1 3 . 1 1 79 79 LYS HA H 79 4.817 4.817 5.067 -0.250 25703 1565 1 3 . 1 1 79 79 LYS C C 79 177.194 177.194 176.227 0.967 25703 1566 1 3 . 1 1 79 79 LYS CA C 79 57.980 57.980 55.265 2.715 25703 1567 1 3 . 1 1 79 79 LYS CB C 79 37.031 37.031 34.509 2.522 25703 1568 1 3 . 1 1 79 79 LYS H H 79 8.745 8.745 8.751 -0.006 25703 1569 1 3 . 1 1 80 80 ASN N N 80 126.660 126.660 125.397 1.263 25703 1570 1 3 . 1 1 80 80 ASN HA H 80 4.291 4.291 4.368 -0.077 25703 1571 1 3 . 1 1 80 80 ASN C C 80 174.868 174.868 175.820 -0.952 25703 1572 1 3 . 1 1 80 80 ASN CA C 80 54.925 54.925 54.127 0.798 25703 1573 1 3 . 1 1 80 80 ASN CB C 80 38.055 38.055 36.287 1.768 25703 1574 1 3 . 1 1 80 80 ASN H H 80 8.893 8.893 9.413 -0.520 25703 1575 1 3 . 1 1 81 81 GLY N N 81 103.991 103.991 105.583 -1.592 25703 1576 1 3 . 1 1 81 81 GLY C C 81 172.724 172.724 174.603 -1.879 25703 1577 1 3 . 1 1 81 81 GLY CA C 81 46.145 46.145 45.892 0.253 25703 1578 1 3 . 1 1 81 81 GLY H H 81 8.639 8.639 8.893 -0.254 25703 1579 1 3 . 1 1 82 82 LYS N N 82 120.266 120.266 118.875 1.391 25703 1580 1 3 . 1 1 82 82 LYS HA H 82 4.937 4.937 4.460 0.477 25703 1581 1 3 . 1 1 82 82 LYS C C 82 174.364 174.364 175.644 -1.280 25703 1582 1 3 . 1 1 82 82 LYS CA C 82 55.602 55.602 55.632 -0.029 25703 1583 1 3 . 1 1 82 82 LYS CB C 82 35.830 35.830 33.202 2.628 25703 1584 1 3 . 1 1 82 82 LYS H H 82 7.576 7.576 8.280 -0.704 25703 1585 1 3 . 1 1 83 83 GLU N N 83 126.445 126.445 116.499 9.946 25703 1586 1 3 . 1 1 83 83 GLU HA H 83 3.867 3.867 4.044 -0.177 25703 1587 1 3 . 1 1 83 83 GLU C C 83 176.728 176.728 174.623 2.105 25703 1588 1 3 . 1 1 83 83 GLU CA C 83 57.345 57.345 57.710 -0.365 25703 1589 1 3 . 1 1 83 83 GLU CB C 83 30.927 30.927 29.437 1.490 25703 1590 1 3 . 1 1 83 83 GLU H H 83 8.819 8.819 7.939 0.880 25703 1591 1 3 . 1 1 84 84 VAL N N 84 123.147 123.147 120.439 2.708 25703 1592 1 3 . 1 1 84 84 VAL HA H 84 4.417 4.417 4.210 0.207 25703 1593 1 3 . 1 1 84 84 VAL C C 84 175.128 175.128 173.890 1.238 25703 1594 1 3 . 1 1 84 84 VAL CA C 84 61.453 61.453 62.105 -0.652 25703 1595 1 3 . 1 1 84 84 VAL CB C 84 33.692 33.692 34.928 -1.236 25703 1596 1 3 . 1 1 84 84 VAL H H 84 9.258 9.258 8.334 0.924 25703 1597 1 3 . 1 1 85 85 ALA N N 85 122.281 122.281 121.253 1.028 25703 1598 1 3 . 1 1 85 85 ALA HA H 85 4.414 4.414 4.529 -0.115 25703 1599 1 3 . 1 1 85 85 ALA C C 85 173.291 173.291 174.503 -1.212 25703 1600 1 3 . 1 1 85 85 ALA CA C 85 53.133 53.133 51.836 1.297 25703 1601 1 3 . 1 1 85 85 ALA CB C 85 22.544 22.544 21.026 1.518 25703 1602 1 3 . 1 1 85 85 ALA H H 85 7.573 7.573 7.686 -0.113 25703 1603 1 3 . 1 1 86 86 LYS N N 86 120.704 120.704 121.267 -0.563 25703 1604 1 3 . 1 1 86 86 LYS HA H 86 4.933 4.933 4.529 0.404 25703 1605 1 3 . 1 1 86 86 LYS C C 86 174.506 174.506 174.370 0.136 25703 1606 1 3 . 1 1 86 86 LYS CA C 86 55.860 55.860 56.102 -0.242 25703 1607 1 3 . 1 1 86 86 LYS CB C 86 35.979 35.979 34.503 1.476 25703 1608 1 3 . 1 1 86 86 LYS H H 86 8.014 8.014 8.284 -0.270 25703 1609 1 3 . 1 1 87 87 VAL N N 87 126.817 126.817 126.881 -0.064 25703 1610 1 3 . 1 1 87 87 VAL HA H 87 4.276 4.276 4.440 -0.164 25703 1611 1 3 . 1 1 87 87 VAL C C 87 174.002 174.002 174.435 -0.433 25703 1612 1 3 . 1 1 87 87 VAL CA C 87 62.070 62.070 61.238 0.832 25703 1613 1 3 . 1 1 87 87 VAL CB C 87 34.958 34.958 35.122 -0.164 25703 1614 1 3 . 1 1 87 87 VAL H H 87 9.186 9.186 9.211 -0.025 25703 1615 1 3 . 1 1 88 88 VAL N N 88 129.683 129.683 126.134 3.549 25703 1616 1 3 . 1 1 88 88 VAL HA H 88 4.446 4.446 4.321 0.125 25703 1617 1 3 . 1 1 88 88 VAL C C 88 175.594 175.594 175.331 0.263 25703 1618 1 3 . 1 1 88 88 VAL CA C 88 62.462 62.462 61.941 0.521 25703 1619 1 3 . 1 1 88 88 VAL CB C 88 33.275 33.275 31.041 2.233 25703 1620 1 3 . 1 1 88 88 VAL H H 88 9.026 9.026 8.566 0.460 25703 1621 1 3 . 1 1 89 89 GLY N N 89 114.918 114.918 113.031 1.887 25703 1622 1 3 . 1 1 89 89 GLY CA C 89 44.014 44.014 45.375 -1.361 25703 1623 1 3 . 1 1 89 89 GLY H H 89 8.298 8.298 7.738 0.560 25703 1624 1 3 . 1 1 90 90 ALA HA H 90 4.227 4.227 4.201 0.026 25703 1625 1 3 . 1 1 90 90 ALA C C 90 174.279 174.279 176.742 -2.463 25703 1626 1 3 . 1 1 90 90 ALA CA C 90 50.915 50.915 52.518 -1.603 25703 1627 1 3 . 1 1 90 90 ALA CB C 90 18.480 18.480 17.416 1.064 25703 1628 1 3 . 1 1 91 91 ASN N N 91 121.022 121.022 121.703 -0.681 25703 1629 1 3 . 1 1 91 91 ASN HA H 91 5.114 5.114 5.032 0.082 25703 1630 1 3 . 1 1 91 91 ASN CA C 91 50.500 50.500 50.640 -0.140 25703 1631 1 3 . 1 1 91 91 ASN CB C 91 39.514 39.514 38.650 0.864 25703 1632 1 3 . 1 1 91 91 ASN H H 91 7.360 7.360 7.984 -0.624 25703 1633 1 3 . 1 1 92 92 PRO HA H 92 4.116 4.116 4.284 -0.168 25703 1634 1 3 . 1 1 92 92 PRO CA C 92 63.392 63.392 65.076 -1.684 25703 1635 1 3 . 1 1 93 93 ALA HA H 93 4.074 4.074 4.480 -0.406 25703 1636 1 3 . 1 1 93 93 ALA C C 93 179.673 179.673 178.796 0.877 25703 1637 1 3 . 1 1 93 93 ALA CA C 93 55.353 55.353 53.923 1.430 25703 1638 1 3 . 1 1 93 93 ALA CB C 93 18.455 18.455 18.475 -0.020 25703 1639 1 3 . 1 1 94 94 ALA N N 94 121.514 121.514 120.482 1.032 25703 1640 1 3 . 1 1 94 94 ALA HA H 94 4.064 4.064 4.218 -0.154 25703 1641 1 3 . 1 1 94 94 ALA C C 94 180.373 180.373 179.269 1.104 25703 1642 1 3 . 1 1 94 94 ALA CA C 94 55.418 55.418 54.059 1.359 25703 1643 1 3 . 1 1 94 94 ALA CB C 94 19.268 19.268 18.398 0.870 25703 1644 1 3 . 1 1 94 94 ALA H H 94 7.228 7.228 7.978 -0.750 25703 1645 1 3 . 1 1 95 95 ILE N N 95 120.330 120.330 120.064 0.266 25703 1646 1 3 . 1 1 95 95 ILE HA H 95 3.358 3.358 3.824 -0.466 25703 1647 1 3 . 1 1 95 95 ILE C C 95 175.639 175.639 176.977 -1.338 25703 1648 1 3 . 1 1 95 95 ILE CA C 95 66.564 66.564 62.586 3.978 25703 1649 1 3 . 1 1 95 95 ILE CB C 95 38.854 38.854 38.072 0.782 25703 1650 1 3 . 1 1 95 95 ILE H H 95 7.738 7.738 8.134 -0.396 25703 1651 1 3 . 1 1 96 96 LYS N N 96 119.846 119.846 119.442 0.404 25703 1652 1 3 . 1 1 96 96 LYS HA H 96 3.144 3.144 3.943 -0.799 25703 1653 1 3 . 1 1 96 96 LYS C C 96 177.288 177.288 179.156 -1.868 25703 1654 1 3 . 1 1 96 96 LYS CA C 96 60.420 60.420 59.190 1.230 25703 1655 1 3 . 1 1 96 96 LYS CB C 96 32.612 32.612 31.353 1.259 25703 1656 1 3 . 1 1 96 96 LYS H H 96 8.087 8.087 7.778 0.309 25703 1657 1 3 . 1 1 97 97 GLN N N 97 116.484 116.484 119.231 -2.747 25703 1658 1 3 . 1 1 97 97 GLN HA H 97 3.848 3.848 4.052 -0.204 25703 1659 1 3 . 1 1 97 97 GLN C C 97 177.461 177.461 178.154 -0.693 25703 1660 1 3 . 1 1 97 97 GLN CA C 97 59.069 59.069 59.016 0.053 25703 1661 1 3 . 1 1 97 97 GLN CB C 97 28.799 28.799 28.433 0.366 25703 1662 1 3 . 1 1 97 97 GLN H H 97 7.700 7.700 7.639 0.061 25703 1663 1 3 . 1 1 98 98 ALA N N 98 121.852 121.852 121.979 -0.127 25703 1664 1 3 . 1 1 98 98 ALA HA H 98 3.921 3.921 4.091 -0.170 25703 1665 1 3 . 1 1 98 98 ALA C C 98 174.452 174.452 179.854 -5.402 25703 1666 1 3 . 1 1 98 98 ALA CA C 98 55.207 55.207 54.894 0.313 25703 1667 1 3 . 1 1 98 98 ALA CB C 98 18.356 18.356 18.630 -0.273 25703 1668 1 3 . 1 1 98 98 ALA H H 98 7.456 7.456 7.554 -0.098 25703 1669 1 3 . 1 1 99 99 ILE N N 99 118.810 118.810 118.603 0.207 25703 1670 1 3 . 1 1 99 99 ILE HA H 99 3.037 3.037 3.799 -0.762 25703 1671 1 3 . 1 1 99 99 ILE C C 99 176.476 176.476 177.490 -1.014 25703 1672 1 3 . 1 1 99 99 ILE CA C 99 65.925 65.925 63.123 2.802 25703 1673 1 3 . 1 1 99 99 ILE CB C 99 38.622 38.622 37.054 1.568 25703 1674 1 3 . 1 1 99 99 ILE H H 99 7.692 7.692 8.883 -1.191 25703 1675 1 3 . 1 1 100 100 ALA N N 100 120.478 120.478 120.594 -0.116 25703 1676 1 3 . 1 1 100 100 ALA HA H 100 3.713 3.713 4.251 -0.538 25703 1677 1 3 . 1 1 100 100 ALA C C 100 179.910 179.910 178.605 1.305 25703 1678 1 3 . 1 1 100 100 ALA CA C 100 55.491 55.491 53.639 1.852 25703 1679 1 3 . 1 1 100 100 ALA CB C 100 18.656 18.656 19.258 -0.602 25703 1680 1 3 . 1 1 100 100 ALA H H 100 8.164 8.164 7.904 0.260 25703 1681 1 3 . 1 1 101 101 ALA N N 101 116.616 116.616 121.063 -4.447 25703 1682 1 3 . 1 1 101 101 ALA HA H 101 4.084 4.084 4.067 0.017 25703 1683 1 3 . 1 1 101 101 ALA C C 101 177.705 177.705 179.162 -1.457 25703 1684 1 3 . 1 1 101 101 ALA CA C 101 54.113 54.113 54.194 -0.081 25703 1685 1 3 . 1 1 101 101 ALA CB C 101 19.576 19.576 19.264 0.312 25703 1686 1 3 . 1 1 101 101 ALA H H 101 7.649 7.649 7.826 -0.177 25703 1687 1 3 . 1 1 102 102 ASN N N 102 114.293 114.293 115.380 -1.087 25703 1688 1 3 . 1 1 102 102 ASN HA H 102 4.753 4.753 4.563 0.190 25703 1689 1 3 . 1 1 102 102 ASN C C 102 172.210 172.210 175.936 -3.726 25703 1690 1 3 . 1 1 102 102 ASN CA C 102 54.809 54.809 54.876 -0.067 25703 1691 1 3 . 1 1 102 102 ASN CB C 102 43.388 43.388 39.310 4.078 25703 1692 1 3 . 1 1 102 102 ASN H H 102 7.110 7.110 8.118 -1.008 25703 1693 1 4 . 1 1 2 2 VAL N N 2 125.982 125.982 120.968 5.014 25703 1694 1 4 . 1 1 2 2 VAL HA H 2 4.054 4.054 4.684 -0.630 25703 1695 1 4 . 1 1 2 2 VAL CA C 2 61.397 61.397 61.328 0.070 25703 1696 1 4 . 1 1 2 2 VAL CB C 2 32.844 32.844 32.995 -0.151 25703 1697 1 4 . 1 1 2 2 VAL H H 2 8.576 8.576 8.047 0.529 25703 1698 1 4 . 1 1 3 3 THR N N 3 126.926 126.926 120.578 6.348 25703 1699 1 4 . 1 1 3 3 THR HA H 3 4.120 4.120 4.362 -0.242 25703 1700 1 4 . 1 1 3 3 THR C C 3 172.671 172.671 173.773 -1.102 25703 1701 1 4 . 1 1 3 3 THR CA C 3 64.010 64.010 63.467 0.543 25703 1702 1 4 . 1 1 3 3 THR CB C 3 70.030 70.030 70.010 0.020 25703 1703 1 4 . 1 1 3 3 THR H H 3 7.787 7.787 8.187 -0.400 25703 1704 1 4 . 1 1 4 4 GLN N N 4 128.743 128.743 123.637 5.106 25703 1705 1 4 . 1 1 4 4 GLN HA H 4 4.726 4.726 4.702 0.024 25703 1706 1 4 . 1 1 4 4 GLN C C 4 176.254 176.254 174.684 1.570 25703 1707 1 4 . 1 1 4 4 GLN CA C 4 54.925 54.925 53.998 0.927 25703 1708 1 4 . 1 1 4 4 GLN CB C 4 30.039 30.039 30.203 -0.165 25703 1709 1 4 . 1 1 4 4 GLN H H 4 8.976 8.976 8.419 0.557 25703 1710 1 4 . 1 1 5 5 PHE N N 5 127.295 127.295 124.392 2.903 25703 1711 1 4 . 1 1 5 5 PHE HA H 5 4.793 4.793 4.425 0.368 25703 1712 1 4 . 1 1 5 5 PHE C C 5 175.627 175.627 176.488 -0.861 25703 1713 1 4 . 1 1 5 5 PHE CA C 5 59.080 59.080 56.761 2.320 25703 1714 1 4 . 1 1 5 5 PHE CB C 5 41.083 41.083 41.142 -0.059 25703 1715 1 4 . 1 1 5 5 PHE H H 5 8.434 8.434 8.329 0.105 25703 1716 1 4 . 1 1 6 6 LYS N N 6 120.464 120.464 115.430 5.034 25703 1717 1 4 . 1 1 6 6 LYS HA H 6 4.623 4.623 4.437 0.186 25703 1718 1 4 . 1 1 6 6 LYS C C 6 176.504 176.504 175.791 0.713 25703 1719 1 4 . 1 1 6 6 LYS CA C 6 56.526 56.526 56.087 0.440 25703 1720 1 4 . 1 1 6 6 LYS CB C 6 34.660 34.660 33.729 0.931 25703 1721 1 4 . 1 1 6 6 LYS H H 6 9.821 9.821 8.510 1.311 25703 1722 1 4 . 1 1 7 7 THR N N 7 108.286 108.286 109.277 -0.991 25703 1723 1 4 . 1 1 7 7 THR HA H 7 4.738 4.738 4.628 0.110 25703 1724 1 4 . 1 1 7 7 THR C C 7 173.410 173.410 174.904 -1.494 25703 1725 1 4 . 1 1 7 7 THR CA C 7 59.287 59.287 60.040 -0.753 25703 1726 1 4 . 1 1 7 7 THR CB C 7 73.138 73.138 71.921 1.217 25703 1727 1 4 . 1 1 7 7 THR H H 7 7.467 7.467 7.419 0.048 25703 1728 1 4 . 1 1 8 8 ALA N N 8 125.007 125.007 125.476 -0.469 25703 1729 1 4 . 1 1 8 8 ALA HA H 8 3.705 3.705 4.098 -0.393 25703 1730 1 4 . 1 1 8 8 ALA C C 8 178.859 178.859 179.437 -0.578 25703 1731 1 4 . 1 1 8 8 ALA CA C 8 55.453 55.453 55.201 0.252 25703 1732 1 4 . 1 1 8 8 ALA CB C 8 18.689 18.689 18.045 0.644 25703 1733 1 4 . 1 1 8 8 ALA H H 8 9.038 9.038 8.833 0.205 25703 1734 1 4 . 1 1 9 9 SER N N 9 113.408 113.408 113.988 -0.580 25703 1735 1 4 . 1 1 9 9 SER HA H 9 4.124 4.124 4.106 0.018 25703 1736 1 4 . 1 1 9 9 SER C C 9 176.575 176.575 176.666 -0.091 25703 1737 1 4 . 1 1 9 9 SER CA C 9 61.528 61.528 61.660 -0.132 25703 1738 1 4 . 1 1 9 9 SER CB C 9 62.703 62.703 61.843 0.860 25703 1739 1 4 . 1 1 9 9 SER H H 9 8.159 8.159 8.462 -0.303 25703 1740 1 4 . 1 1 10 10 GLU N N 10 123.005 123.005 121.535 1.470 25703 1741 1 4 . 1 1 10 10 GLU HA H 10 3.853 3.853 3.718 0.135 25703 1742 1 4 . 1 1 10 10 GLU C C 10 178.294 178.294 178.244 0.050 25703 1743 1 4 . 1 1 10 10 GLU CA C 10 59.266 59.266 58.584 0.682 25703 1744 1 4 . 1 1 10 10 GLU CB C 10 31.536 31.536 28.766 2.770 25703 1745 1 4 . 1 1 10 10 GLU H H 10 7.552 7.552 7.640 -0.088 25703 1746 1 4 . 1 1 11 11 PHE N N 11 121.633 121.633 120.080 1.553 25703 1747 1 4 . 1 1 11 11 PHE HA H 11 2.864 2.864 3.782 -0.918 25703 1748 1 4 . 1 1 11 11 PHE C C 11 176.786 176.786 176.772 0.014 25703 1749 1 4 . 1 1 11 11 PHE CA C 11 61.182 61.182 60.945 0.237 25703 1750 1 4 . 1 1 11 11 PHE CB C 11 38.202 38.202 39.170 -0.968 25703 1751 1 4 . 1 1 11 11 PHE H H 11 6.632 6.632 7.582 -0.950 25703 1752 1 4 . 1 1 12 12 ASP N N 12 118.991 118.991 119.201 -0.210 25703 1753 1 4 . 1 1 12 12 ASP HA H 12 3.841 3.841 3.684 0.157 25703 1754 1 4 . 1 1 12 12 ASP C C 12 178.286 178.286 178.398 -0.112 25703 1755 1 4 . 1 1 12 12 ASP CA C 12 57.547 57.547 57.443 0.104 25703 1756 1 4 . 1 1 12 12 ASP CB C 12 40.790 40.790 40.585 0.205 25703 1757 1 4 . 1 1 12 12 ASP H H 12 7.687 7.687 8.492 -0.805 25703 1758 1 4 . 1 1 13 13 SER N N 13 112.966 112.966 115.058 -2.092 25703 1759 1 4 . 1 1 13 13 SER HA H 13 4.022 4.022 4.067 -0.045 25703 1760 1 4 . 1 1 13 13 SER C C 13 175.827 175.827 175.450 0.377 25703 1761 1 4 . 1 1 13 13 SER CA C 13 61.410 61.410 61.198 0.212 25703 1762 1 4 . 1 1 13 13 SER CB C 13 63.499 63.499 63.125 0.374 25703 1763 1 4 . 1 1 13 13 SER H H 13 7.563 7.563 8.000 -0.437 25703 1764 1 4 . 1 1 14 14 ALA N N 14 124.823 124.823 123.152 1.671 25703 1765 1 4 . 1 1 14 14 ALA HA H 14 4.025 4.025 4.018 0.007 25703 1766 1 4 . 1 1 14 14 ALA C C 14 179.909 179.909 179.568 0.341 25703 1767 1 4 . 1 1 14 14 ALA CA C 14 54.710 54.710 54.615 0.095 25703 1768 1 4 . 1 1 14 14 ALA CB C 14 19.286 19.286 18.852 0.433 25703 1769 1 4 . 1 1 14 14 ALA H H 14 7.671 7.671 7.086 0.585 25703 1770 1 4 . 1 1 15 15 ILE N N 15 108.002 108.002 114.856 -6.854 25703 1771 1 4 . 1 1 15 15 ILE HA H 15 3.721 3.721 3.762 -0.041 25703 1772 1 4 . 1 1 15 15 ILE C C 15 175.512 175.512 176.893 -1.381 25703 1773 1 4 . 1 1 15 15 ILE CA C 15 64.058 64.058 64.018 0.040 25703 1774 1 4 . 1 1 15 15 ILE CB C 15 38.277 38.277 37.017 1.260 25703 1775 1 4 . 1 1 15 15 ILE H H 15 7.195 7.195 7.993 -0.798 25703 1776 1 4 . 1 1 16 16 ALA N N 16 123.051 123.051 120.756 2.295 25703 1777 1 4 . 1 1 16 16 ALA HA H 16 4.013 4.013 4.245 -0.232 25703 1778 1 4 . 1 1 16 16 ALA C C 16 176.636 176.636 178.079 -1.443 25703 1779 1 4 . 1 1 16 16 ALA CA C 16 52.318 52.318 52.565 -0.247 25703 1780 1 4 . 1 1 16 16 ALA CB C 16 18.956 18.956 18.527 0.429 25703 1781 1 4 . 1 1 16 16 ALA H H 16 6.623 6.623 7.392 -0.769 25703 1782 1 4 . 1 1 17 17 GLN N N 17 116.236 116.236 119.009 -2.773 25703 1783 1 4 . 1 1 17 17 GLN HA H 17 4.198 4.198 4.301 -0.103 25703 1784 1 4 . 1 1 17 17 GLN C C 17 174.965 174.965 175.265 -0.300 25703 1785 1 4 . 1 1 17 17 GLN CA C 17 56.422 56.422 54.956 1.466 25703 1786 1 4 . 1 1 17 17 GLN CB C 17 34.338 34.338 29.556 4.782 25703 1787 1 4 . 1 1 17 17 GLN H H 17 7.140 7.140 7.696 -0.556 25703 1788 1 4 . 1 1 18 18 ASP N N 18 123.905 123.905 119.802 4.103 25703 1789 1 4 . 1 1 18 18 ASP HA H 18 4.998 4.998 4.521 0.477 25703 1790 1 4 . 1 1 18 18 ASP C C 18 174.817 174.817 176.189 -1.372 25703 1791 1 4 . 1 1 18 18 ASP CB C 18 39.414 39.414 40.443 -1.029 25703 1792 1 4 . 1 1 18 18 ASP H H 18 8.651 8.651 8.794 -0.143 25703 1793 1 4 . 1 1 19 19 LYS N N 19 119.499 119.499 117.901 1.598 25703 1794 1 4 . 1 1 19 19 LYS HA H 19 4.384 4.384 4.651 -0.267 25703 1795 1 4 . 1 1 19 19 LYS C C 19 172.740 172.740 174.508 -1.768 25703 1796 1 4 . 1 1 19 19 LYS CA C 19 55.163 55.163 55.202 -0.039 25703 1797 1 4 . 1 1 19 19 LYS CB C 19 34.721 34.721 34.810 -0.089 25703 1798 1 4 . 1 1 19 19 LYS H H 19 7.950 7.950 7.774 0.176 25703 1799 1 4 . 1 1 20 20 LEU N N 20 121.877 121.877 123.698 -1.821 25703 1800 1 4 . 1 1 20 20 LEU HA H 20 4.972 4.972 4.908 0.064 25703 1801 1 4 . 1 1 20 20 LEU C C 20 173.937 173.937 175.213 -1.276 25703 1802 1 4 . 1 1 20 20 LEU CA C 20 57.132 57.132 53.956 3.176 25703 1803 1 4 . 1 1 20 20 LEU CB C 20 42.012 42.012 41.589 0.423 25703 1804 1 4 . 1 1 20 20 LEU H H 20 8.641 8.641 8.765 -0.124 25703 1805 1 4 . 1 1 21 21 VAL N N 21 129.812 129.812 128.415 1.397 25703 1806 1 4 . 1 1 21 21 VAL HA H 21 4.439 4.439 4.454 -0.015 25703 1807 1 4 . 1 1 21 21 VAL C C 21 173.493 173.493 175.168 -1.675 25703 1808 1 4 . 1 1 21 21 VAL CA C 21 62.510 62.510 61.153 1.357 25703 1809 1 4 . 1 1 21 21 VAL CB C 21 34.732 34.732 32.672 2.060 25703 1810 1 4 . 1 1 21 21 VAL H H 21 9.263 9.263 8.802 0.461 25703 1811 1 4 . 1 1 22 22 VAL N N 22 131.684 131.684 129.610 2.074 25703 1812 1 4 . 1 1 22 22 VAL HA H 22 4.408 4.408 4.149 0.259 25703 1813 1 4 . 1 1 22 22 VAL C C 22 174.331 174.331 174.467 -0.136 25703 1814 1 4 . 1 1 22 22 VAL CA C 22 61.561 61.561 62.126 -0.565 25703 1815 1 4 . 1 1 22 22 VAL CB C 22 33.630 33.630 31.323 2.307 25703 1816 1 4 . 1 1 22 22 VAL H H 22 9.006 9.006 9.022 -0.016 25703 1817 1 4 . 1 1 23 23 VAL N N 23 126.475 126.475 127.987 -1.512 25703 1818 1 4 . 1 1 23 23 VAL HA H 23 4.422 4.422 4.434 -0.012 25703 1819 1 4 . 1 1 23 23 VAL C C 23 174.342 174.342 174.323 0.019 25703 1820 1 4 . 1 1 23 23 VAL CA C 23 61.672 61.672 60.473 1.199 25703 1821 1 4 . 1 1 23 23 VAL CB C 23 34.042 34.042 34.598 -0.556 25703 1822 1 4 . 1 1 23 23 VAL H H 23 9.551 9.551 8.072 1.479 25703 1823 1 4 . 1 1 24 24 ALA N N 24 131.649 131.649 128.552 3.097 25703 1824 1 4 . 1 1 24 24 ALA HA H 24 4.953 4.953 5.233 -0.280 25703 1825 1 4 . 1 1 24 24 ALA C C 24 174.683 174.683 175.953 -1.270 25703 1826 1 4 . 1 1 24 24 ALA CA C 24 51.712 51.712 49.765 1.947 25703 1827 1 4 . 1 1 24 24 ALA CB C 24 20.149 20.149 22.600 -2.451 25703 1828 1 4 . 1 1 24 24 ALA H H 24 8.991 8.991 8.248 0.743 25703 1829 1 4 . 1 1 25 25 PHE N N 25 124.535 124.535 121.714 2.821 25703 1830 1 4 . 1 1 25 25 PHE HA H 25 5.002 5.002 4.891 0.111 25703 1831 1 4 . 1 1 25 25 PHE C C 25 174.231 174.231 174.513 -0.282 25703 1832 1 4 . 1 1 25 25 PHE CA C 25 58.196 58.196 57.958 0.238 25703 1833 1 4 . 1 1 25 25 PHE CB C 25 40.231 40.231 39.751 0.480 25703 1834 1 4 . 1 1 25 25 PHE H H 25 9.231 9.231 8.672 0.559 25703 1835 1 4 . 1 1 26 26 TYR N N 26 121.986 121.986 122.893 -0.907 25703 1836 1 4 . 1 1 26 26 TYR HA H 26 5.112 5.112 4.831 0.281 25703 1837 1 4 . 1 1 26 26 TYR C C 26 170.727 170.727 174.759 -4.032 25703 1838 1 4 . 1 1 26 26 TYR CA C 26 55.240 55.240 56.112 -0.872 25703 1839 1 4 . 1 1 26 26 TYR CB C 26 43.023 43.023 43.504 -0.481 25703 1840 1 4 . 1 1 26 26 TYR H H 26 8.869 8.869 8.887 -0.018 25703 1841 1 4 . 1 1 27 27 ALA N N 27 117.474 117.474 120.079 -2.605 25703 1842 1 4 . 1 1 27 27 ALA HA H 27 4.329 4.329 4.353 -0.024 25703 1843 1 4 . 1 1 27 27 ALA C C 27 178.755 178.755 176.033 2.722 25703 1844 1 4 . 1 1 27 27 ALA CA C 27 50.966 50.966 51.863 -0.897 25703 1845 1 4 . 1 1 27 27 ALA CB C 27 22.735 22.735 20.073 2.662 25703 1846 1 4 . 1 1 27 27 ALA H H 27 6.235 6.235 7.893 -1.658 25703 1847 1 4 . 1 1 28 28 THR N N 28 119.624 119.624 110.455 9.169 25703 1848 1 4 . 1 1 28 28 THR HA H 28 3.907 3.907 4.178 -0.271 25703 1849 1 4 . 1 1 28 28 THR C C 28 174.360 174.360 174.106 0.254 25703 1850 1 4 . 1 1 28 28 THR CA C 28 65.865 65.865 63.649 2.216 25703 1851 1 4 . 1 1 28 28 THR CB C 28 69.336 69.336 68.689 0.647 25703 1852 1 4 . 1 1 28 28 THR H H 28 10.381 10.381 7.956 2.425 25703 1853 1 4 . 1 1 29 29 TRP N N 29 115.983 115.983 120.713 -4.730 25703 1854 1 4 . 1 1 29 29 TRP HA H 29 4.590 4.590 4.990 -0.400 25703 1855 1 4 . 1 1 29 29 TRP CA C 29 53.924 53.924 53.342 0.582 25703 1856 1 4 . 1 1 29 29 TRP CB C 29 29.460 29.460 27.983 1.477 25703 1857 1 4 . 1 1 29 29 TRP H H 29 6.472 6.472 6.633 -0.161 25703 1858 1 4 . 1 1 30 30 CYS HA H 30 3.857 3.857 4.985 -1.128 25703 1859 1 4 . 1 1 30 30 CYS CA C 30 58.536 58.536 57.488 1.048 25703 1860 1 4 . 1 1 30 30 CYS CB C 30 37.005 37.005 29.675 7.330 25703 1861 1 4 . 1 1 31 31 GLY CA C 31 48.989 48.989 47.465 1.524 25703 1862 1 4 . 1 1 32 32 PRO HA H 32 4.398 4.398 4.279 0.119 25703 1863 1 4 . 1 1 32 32 PRO C C 32 177.189 177.189 178.388 -1.199 25703 1864 1 4 . 1 1 32 32 PRO CA C 32 65.366 65.366 64.888 0.478 25703 1865 1 4 . 1 1 32 32 PRO CB C 32 32.289 32.289 31.036 1.253 25703 1866 1 4 . 1 1 33 33 CYS N N 33 111.468 111.468 114.219 -2.751 25703 1867 1 4 . 1 1 33 33 CYS HA H 33 4.223 4.223 3.579 0.644 25703 1868 1 4 . 1 1 33 33 CYS CA C 33 65.801 65.801 61.916 3.885 25703 1869 1 4 . 1 1 33 33 CYS CB C 33 34.949 34.949 25.778 9.171 25703 1870 1 4 . 1 1 33 33 CYS H H 33 7.991 7.991 8.309 -0.318 25703 1871 1 4 . 1 1 34 34 LYS HA H 34 3.968 3.968 3.973 -0.005 25703 1872 1 4 . 1 1 34 34 LYS C C 34 178.052 178.052 178.900 -0.848 25703 1873 1 4 . 1 1 34 34 LYS CA C 34 59.661 59.661 59.198 0.463 25703 1874 1 4 . 1 1 34 34 LYS CB C 34 32.513 32.513 32.173 0.340 25703 1875 1 4 . 1 1 35 35 MET N N 35 117.236 117.236 117.085 0.151 25703 1876 1 4 . 1 1 35 35 MET HA H 35 4.194 4.194 4.201 -0.007 25703 1877 1 4 . 1 1 35 35 MET C C 35 177.451 177.451 178.403 -0.952 25703 1878 1 4 . 1 1 35 35 MET CA C 35 57.938 57.938 58.599 -0.661 25703 1879 1 4 . 1 1 35 35 MET CB C 35 32.628 32.628 32.858 -0.230 25703 1880 1 4 . 1 1 35 35 MET H H 35 7.326 7.326 7.674 -0.348 25703 1881 1 4 . 1 1 36 36 ILE N N 36 113.758 113.758 118.335 -4.577 25703 1882 1 4 . 1 1 36 36 ILE HA H 36 4.345 4.345 3.967 0.378 25703 1883 1 4 . 1 1 36 36 ILE C C 36 176.183 176.183 176.508 -0.325 25703 1884 1 4 . 1 1 36 36 ILE CA C 36 60.656 60.656 62.227 -1.571 25703 1885 1 4 . 1 1 36 36 ILE CB C 36 39.657 39.657 37.131 2.526 25703 1886 1 4 . 1 1 36 36 ILE H H 36 7.315 7.315 8.049 -0.734 25703 1887 1 4 . 1 1 37 37 ALA N N 37 126.738 126.738 125.404 1.334 25703 1888 1 4 . 1 1 37 37 ALA HA H 37 4.095 4.095 4.467 -0.372 25703 1889 1 4 . 1 1 37 37 ALA CA C 37 57.562 57.562 56.354 1.208 25703 1890 1 4 . 1 1 37 37 ALA CB C 37 15.912 15.912 16.654 -0.742 25703 1891 1 4 . 1 1 37 37 ALA H H 37 7.447 7.447 7.594 -0.147 25703 1892 1 4 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.241 0.029 25703 1893 1 4 . 1 1 38 38 PRO C C 38 178.922 178.922 178.642 0.280 25703 1894 1 4 . 1 1 38 38 PRO CA C 38 65.743 65.743 65.219 0.524 25703 1895 1 4 . 1 1 38 38 PRO CB C 38 31.224 31.224 31.349 -0.125 25703 1896 1 4 . 1 1 39 39 MET N N 39 118.310 118.310 118.062 0.248 25703 1897 1 4 . 1 1 39 39 MET HA H 39 3.859 3.859 3.981 -0.122 25703 1898 1 4 . 1 1 39 39 MET C C 39 174.441 174.441 178.561 -4.120 25703 1899 1 4 . 1 1 39 39 MET CA C 39 58.390 58.390 57.848 0.542 25703 1900 1 4 . 1 1 39 39 MET CB C 39 31.394 31.394 31.396 -0.002 25703 1901 1 4 . 1 1 39 39 MET H H 39 7.063 7.063 7.290 -0.227 25703 1902 1 4 . 1 1 40 40 ILE N N 40 119.013 119.013 118.676 0.337 25703 1903 1 4 . 1 1 40 40 ILE HA H 40 3.595 3.595 3.482 0.113 25703 1904 1 4 . 1 1 40 40 ILE C C 40 177.267 177.267 178.102 -0.835 25703 1905 1 4 . 1 1 40 40 ILE CA C 40 64.393 64.393 64.800 -0.407 25703 1906 1 4 . 1 1 40 40 ILE CB C 40 36.259 36.259 37.342 -1.083 25703 1907 1 4 . 1 1 40 40 ILE H H 40 7.752 7.752 8.737 -0.985 25703 1908 1 4 . 1 1 41 41 GLU N N 41 119.530 119.530 121.413 -1.883 25703 1909 1 4 . 1 1 41 41 GLU HA H 41 3.572 3.572 3.872 -0.300 25703 1910 1 4 . 1 1 41 41 GLU C C 41 179.597 179.597 179.072 0.525 25703 1911 1 4 . 1 1 41 41 GLU CA C 41 59.878 59.878 59.315 0.563 25703 1912 1 4 . 1 1 41 41 GLU CB C 41 29.900 29.900 29.394 0.506 25703 1913 1 4 . 1 1 41 41 GLU H H 41 7.442 7.442 7.921 -0.479 25703 1914 1 4 . 1 1 42 42 LYS N N 42 122.053 122.053 120.468 1.585 25703 1915 1 4 . 1 1 42 42 LYS HA H 42 3.932 3.932 4.007 -0.075 25703 1916 1 4 . 1 1 42 42 LYS C C 42 179.390 179.390 179.199 0.191 25703 1917 1 4 . 1 1 42 42 LYS CA C 42 59.532 59.532 59.272 0.260 25703 1918 1 4 . 1 1 42 42 LYS CB C 42 31.281 31.281 32.230 -0.949 25703 1919 1 4 . 1 1 42 42 LYS H H 42 7.428 7.428 7.779 -0.351 25703 1920 1 4 . 1 1 43 43 PHE N N 43 120.250 120.250 117.403 2.847 25703 1921 1 4 . 1 1 43 43 PHE HA H 43 4.639 4.639 4.504 0.135 25703 1922 1 4 . 1 1 43 43 PHE C C 43 177.337 177.337 177.155 0.182 25703 1923 1 4 . 1 1 43 43 PHE CA C 43 59.331 59.331 58.188 1.143 25703 1924 1 4 . 1 1 43 43 PHE CB C 43 37.737 37.737 37.971 -0.234 25703 1925 1 4 . 1 1 43 43 PHE H H 43 8.337 8.337 8.155 0.182 25703 1926 1 4 . 1 1 44 44 SER N N 44 117.203 117.203 112.497 4.706 25703 1927 1 4 . 1 1 44 44 SER HA H 44 2.967 2.967 2.861 0.106 25703 1928 1 4 . 1 1 44 44 SER C C 44 174.934 174.934 174.742 0.192 25703 1929 1 4 . 1 1 44 44 SER CA C 44 61.159 61.159 59.265 1.894 25703 1930 1 4 . 1 1 44 44 SER CB C 44 62.353 62.353 61.386 0.967 25703 1931 1 4 . 1 1 44 44 SER H H 44 7.754 7.754 7.785 -0.031 25703 1932 1 4 . 1 1 45 45 GLU N N 45 121.664 121.664 119.702 1.962 25703 1933 1 4 . 1 1 45 45 GLU HA H 45 4.049 4.049 4.032 0.017 25703 1934 1 4 . 1 1 45 45 GLU C C 45 177.360 177.360 177.946 -0.586 25703 1935 1 4 . 1 1 45 45 GLU CA C 45 57.739 57.739 57.580 0.159 25703 1936 1 4 . 1 1 45 45 GLU CB C 45 30.191 30.191 29.606 0.585 25703 1937 1 4 . 1 1 45 45 GLU H H 45 6.884 6.884 7.331 -0.447 25703 1938 1 4 . 1 1 46 46 GLN N N 46 118.766 118.766 116.951 1.815 25703 1939 1 4 . 1 1 46 46 GLN HA H 46 3.948 3.948 4.141 -0.193 25703 1940 1 4 . 1 1 46 46 GLN C C 46 177.431 177.431 176.939 0.492 25703 1941 1 4 . 1 1 46 46 GLN CA C 46 58.372 58.372 57.592 0.780 25703 1942 1 4 . 1 1 46 46 GLN CB C 46 30.160 30.160 30.076 0.084 25703 1943 1 4 . 1 1 46 46 GLN H H 46 7.551 7.551 7.318 0.233 25703 1944 1 4 . 1 1 47 47 TYR N N 47 117.012 117.012 116.429 0.583 25703 1945 1 4 . 1 1 47 47 TYR HA H 47 4.971 4.971 4.977 -0.006 25703 1946 1 4 . 1 1 47 47 TYR CA C 47 56.523 56.523 54.111 2.412 25703 1947 1 4 . 1 1 47 47 TYR CB C 47 38.479 38.479 37.523 0.956 25703 1948 1 4 . 1 1 47 47 TYR H H 47 7.426 7.426 7.533 -0.107 25703 1949 1 4 . 1 1 48 48 PRO HA H 48 4.388 4.388 4.605 -0.217 25703 1950 1 4 . 1 1 48 48 PRO C C 48 176.927 176.927 177.467 -0.540 25703 1951 1 4 . 1 1 48 48 PRO CA C 48 65.425 65.425 63.629 1.796 25703 1952 1 4 . 1 1 48 48 PRO CB C 48 32.619 32.619 32.164 0.455 25703 1953 1 4 . 1 1 49 49 GLN N N 49 120.194 120.194 117.521 2.673 25703 1954 1 4 . 1 1 49 49 GLN HA H 49 4.369 4.369 4.247 0.122 25703 1955 1 4 . 1 1 49 49 GLN C C 49 174.438 174.438 175.060 -0.622 25703 1956 1 4 . 1 1 49 49 GLN CA C 49 56.832 56.832 56.673 0.159 25703 1957 1 4 . 1 1 49 49 GLN CB C 49 28.164 28.164 28.715 -0.551 25703 1958 1 4 . 1 1 49 49 GLN H H 49 9.624 9.624 8.548 1.076 25703 1959 1 4 . 1 1 50 50 ALA N N 50 128.180 128.180 121.530 6.650 25703 1960 1 4 . 1 1 50 50 ALA HA H 50 5.048 5.048 4.490 0.558 25703 1961 1 4 . 1 1 50 50 ALA C C 50 174.685 174.685 175.937 -1.252 25703 1962 1 4 . 1 1 50 50 ALA CA C 50 50.518 50.518 50.398 0.120 25703 1963 1 4 . 1 1 50 50 ALA CB C 50 22.754 22.754 21.830 0.924 25703 1964 1 4 . 1 1 50 50 ALA H H 50 8.179 8.179 7.576 0.603 25703 1965 1 4 . 1 1 51 51 ASP N N 51 121.032 121.032 122.939 -1.907 25703 1966 1 4 . 1 1 51 51 ASP HA H 51 5.102 5.102 4.692 0.410 25703 1967 1 4 . 1 1 51 51 ASP C C 51 174.171 174.171 174.864 -0.693 25703 1968 1 4 . 1 1 51 51 ASP CA C 51 53.515 53.515 53.750 -0.235 25703 1969 1 4 . 1 1 51 51 ASP CB C 51 44.782 44.782 42.138 2.644 25703 1970 1 4 . 1 1 51 51 ASP H H 51 8.435 8.435 8.478 -0.043 25703 1971 1 4 . 1 1 52 52 PHE N N 52 121.696 121.696 121.730 -0.034 25703 1972 1 4 . 1 1 52 52 PHE HA H 52 5.172 5.172 4.724 0.448 25703 1973 1 4 . 1 1 52 52 PHE C C 52 174.110 174.110 173.293 0.817 25703 1974 1 4 . 1 1 52 52 PHE CA C 52 57.189 57.189 56.375 0.814 25703 1975 1 4 . 1 1 52 52 PHE CB C 52 42.291 42.291 38.165 4.126 25703 1976 1 4 . 1 1 52 52 PHE H H 52 8.983 8.983 7.734 1.249 25703 1977 1 4 . 1 1 53 53 TYR N N 53 122.042 122.042 122.843 -0.801 25703 1978 1 4 . 1 1 53 53 TYR HA H 53 5.495 5.495 5.113 0.382 25703 1979 1 4 . 1 1 53 53 TYR C C 53 174.002 174.002 175.296 -1.294 25703 1980 1 4 . 1 1 53 53 TYR CA C 53 56.214 56.214 55.669 0.545 25703 1981 1 4 . 1 1 53 53 TYR CB C 53 46.407 46.407 42.364 4.043 25703 1982 1 4 . 1 1 53 53 TYR H H 53 9.362 9.362 8.705 0.657 25703 1983 1 4 . 1 1 54 54 LYS N N 54 116.808 116.808 120.512 -3.704 25703 1984 1 4 . 1 1 54 54 LYS HA H 54 5.505 5.505 4.503 1.002 25703 1985 1 4 . 1 1 54 54 LYS C C 54 172.792 172.792 174.554 -1.762 25703 1986 1 4 . 1 1 54 54 LYS CA C 54 53.943 53.943 55.968 -2.025 25703 1987 1 4 . 1 1 54 54 LYS CB C 54 36.950 36.950 35.421 1.529 25703 1988 1 4 . 1 1 54 54 LYS H H 54 8.463 8.463 8.900 -0.437 25703 1989 1 4 . 1 1 55 55 LEU N N 55 123.826 123.826 123.603 0.223 25703 1990 1 4 . 1 1 55 55 LEU HA H 55 4.472 4.472 4.567 -0.095 25703 1991 1 4 . 1 1 55 55 LEU C C 55 171.652 171.652 175.263 -3.611 25703 1992 1 4 . 1 1 55 55 LEU CA C 55 55.906 55.906 53.438 2.468 25703 1993 1 4 . 1 1 55 55 LEU CB C 55 46.528 46.528 44.108 2.420 25703 1994 1 4 . 1 1 55 55 LEU H H 55 8.688 8.688 9.041 -0.353 25703 1995 1 4 . 1 1 56 56 ASP N N 56 127.169 127.169 119.096 8.073 25703 1996 1 4 . 1 1 56 56 ASP HA H 56 4.130 4.130 4.922 -0.792 25703 1997 1 4 . 1 1 56 56 ASP C C 56 177.692 177.692 176.068 1.624 25703 1998 1 4 . 1 1 56 56 ASP CA C 56 54.074 54.074 52.909 1.165 25703 1999 1 4 . 1 1 56 56 ASP CB C 56 41.388 41.388 41.822 -0.434 25703 2000 1 4 . 1 1 56 56 ASP H H 56 8.595 8.595 8.819 -0.224 25703 2001 1 4 . 1 1 57 57 VAL N N 57 123.562 123.562 124.271 -0.709 25703 2002 1 4 . 1 1 57 57 VAL HA H 57 3.491 3.491 3.947 -0.456 25703 2003 1 4 . 1 1 57 57 VAL C C 57 175.413 175.413 175.657 -0.244 25703 2004 1 4 . 1 1 57 57 VAL CA C 57 65.095 65.095 64.176 0.919 25703 2005 1 4 . 1 1 57 57 VAL CB C 57 31.658 31.658 31.870 -0.212 25703 2006 1 4 . 1 1 57 57 VAL H H 57 8.712 8.712 8.724 -0.012 25703 2007 1 4 . 1 1 58 58 ASP N N 58 120.070 120.070 117.576 2.494 25703 2008 1 4 . 1 1 58 58 ASP HA H 58 4.827 4.827 4.526 0.301 25703 2009 1 4 . 1 1 58 58 ASP C C 58 177.131 177.131 178.191 -1.060 25703 2010 1 4 . 1 1 58 58 ASP CA C 58 57.693 57.693 56.803 0.889 25703 2011 1 4 . 1 1 58 58 ASP CB C 58 40.827 40.827 41.069 -0.242 25703 2012 1 4 . 1 1 58 58 ASP H H 58 8.670 8.670 8.369 0.301 25703 2013 1 4 . 1 1 59 59 GLU N N 59 120.889 120.889 117.973 2.916 25703 2014 1 4 . 1 1 59 59 GLU HA H 59 4.358 4.358 4.438 -0.080 25703 2015 1 4 . 1 1 59 59 GLU C C 59 176.606 176.606 177.584 -0.978 25703 2016 1 4 . 1 1 59 59 GLU CA C 59 57.881 57.881 57.236 0.645 25703 2017 1 4 . 1 1 59 59 GLU CB C 59 32.138 32.138 31.147 0.991 25703 2018 1 4 . 1 1 59 59 GLU H H 59 7.616 7.616 8.069 -0.453 25703 2019 1 4 . 1 1 60 60 LEU N N 60 122.457 122.457 120.185 2.272 25703 2020 1 4 . 1 1 60 60 LEU HA H 60 4.916 4.916 4.737 0.179 25703 2021 1 4 . 1 1 60 60 LEU C C 60 176.538 176.538 177.400 -0.862 25703 2022 1 4 . 1 1 60 60 LEU CA C 60 52.864 52.864 53.069 -0.205 25703 2023 1 4 . 1 1 60 60 LEU CB C 60 42.270 42.270 40.024 2.246 25703 2024 1 4 . 1 1 60 60 LEU H H 60 7.690 7.690 8.220 -0.530 25703 2025 1 4 . 1 1 61 61 GLY N N 61 112.065 112.065 109.360 2.705 25703 2026 1 4 . 1 1 61 61 GLY C C 61 175.917 175.917 175.512 0.405 25703 2027 1 4 . 1 1 61 61 GLY CA C 61 48.760 48.760 46.820 1.940 25703 2028 1 4 . 1 1 61 61 GLY H H 61 8.267 8.267 7.881 0.386 25703 2029 1 4 . 1 1 62 62 ASP N N 62 120.904 120.904 121.170 -0.266 25703 2030 1 4 . 1 1 62 62 ASP HA H 62 4.302 4.302 4.351 -0.049 25703 2031 1 4 . 1 1 62 62 ASP C C 62 178.355 178.355 178.080 0.275 25703 2032 1 4 . 1 1 62 62 ASP CA C 62 57.045 57.045 58.028 -0.983 25703 2033 1 4 . 1 1 62 62 ASP CB C 62 39.646 39.646 40.435 -0.789 25703 2034 1 4 . 1 1 62 62 ASP H H 62 9.155 9.155 8.242 0.913 25703 2035 1 4 . 1 1 63 63 VAL N N 63 121.465 121.465 118.988 2.477 25703 2036 1 4 . 1 1 63 63 VAL HA H 63 3.310 3.310 3.711 -0.401 25703 2037 1 4 . 1 1 63 63 VAL C C 63 178.724 178.724 176.558 2.166 25703 2038 1 4 . 1 1 63 63 VAL CA C 63 65.878 65.878 65.269 0.609 25703 2039 1 4 . 1 1 63 63 VAL CB C 63 31.718 31.718 31.759 -0.040 25703 2040 1 4 . 1 1 63 63 VAL H H 63 7.263 7.263 7.712 -0.449 25703 2041 1 4 . 1 1 64 64 ALA N N 64 123.341 123.341 120.882 2.459 25703 2042 1 4 . 1 1 64 64 ALA HA H 64 3.774 3.774 2.857 0.917 25703 2043 1 4 . 1 1 64 64 ALA C C 64 177.984 177.984 179.479 -1.495 25703 2044 1 4 . 1 1 64 64 ALA CA C 64 56.326 56.326 54.575 1.751 25703 2045 1 4 . 1 1 64 64 ALA CB C 64 18.296 18.296 17.448 0.848 25703 2046 1 4 . 1 1 64 64 ALA H H 64 7.248 7.248 7.291 -0.043 25703 2047 1 4 . 1 1 65 65 GLN N N 65 118.749 118.749 116.707 2.042 25703 2048 1 4 . 1 1 65 65 GLN HA H 65 4.013 4.013 4.043 -0.030 25703 2049 1 4 . 1 1 65 65 GLN CA C 65 59.524 59.524 57.950 1.573 25703 2050 1 4 . 1 1 65 65 GLN CB C 65 28.802 28.802 28.095 0.707 25703 2051 1 4 . 1 1 65 65 GLN H H 65 8.276 8.276 7.749 0.527 25703 2052 1 4 . 1 1 66 66 LYS N N 66 120.950 120.950 120.402 0.548 25703 2053 1 4 . 1 1 66 66 LYS HA H 66 4.033 4.033 4.055 -0.022 25703 2054 1 4 . 1 1 66 66 LYS C C 66 176.439 176.439 177.917 -1.478 25703 2055 1 4 . 1 1 66 66 LYS CA C 66 59.276 59.276 58.834 0.442 25703 2056 1 4 . 1 1 66 66 LYS CB C 66 32.706 32.706 32.252 0.454 25703 2057 1 4 . 1 1 66 66 LYS H H 66 7.984 7.984 7.986 -0.002 25703 2058 1 4 . 1 1 67 67 ASN N N 67 115.512 115.512 116.191 -0.679 25703 2059 1 4 . 1 1 67 67 ASN HA H 67 4.698 4.698 4.894 -0.196 25703 2060 1 4 . 1 1 67 67 ASN C C 67 171.075 171.075 174.423 -3.348 25703 2061 1 4 . 1 1 67 67 ASN CA C 67 54.555 54.555 53.135 1.420 25703 2062 1 4 . 1 1 67 67 ASN CB C 67 40.572 40.572 39.396 1.176 25703 2063 1 4 . 1 1 67 67 ASN H H 67 7.052 7.052 7.575 -0.523 25703 2064 1 4 . 1 1 68 68 GLU N N 68 115.540 115.540 114.768 0.772 25703 2065 1 4 . 1 1 68 68 GLU HA H 68 3.724 3.724 3.871 -0.147 25703 2066 1 4 . 1 1 68 68 GLU C C 68 175.135 175.135 174.876 0.259 25703 2067 1 4 . 1 1 68 68 GLU CA C 68 57.472 57.472 57.047 0.425 25703 2068 1 4 . 1 1 68 68 GLU CB C 68 27.320 27.320 27.378 -0.058 25703 2069 1 4 . 1 1 68 68 GLU H H 68 7.708 7.708 7.654 0.054 25703 2070 1 4 . 1 1 69 69 VAL N N 69 121.037 121.037 119.726 1.311 25703 2071 1 4 . 1 1 69 69 VAL HA H 69 3.891 3.891 4.055 -0.164 25703 2072 1 4 . 1 1 69 69 VAL C C 69 174.845 174.845 175.944 -1.099 25703 2073 1 4 . 1 1 69 69 VAL CA C 69 63.315 63.315 63.120 0.195 25703 2074 1 4 . 1 1 69 69 VAL CB C 69 31.259 31.259 31.724 -0.465 25703 2075 1 4 . 1 1 69 69 VAL H H 69 7.786 7.786 8.138 -0.352 25703 2076 1 4 . 1 1 70 70 SER N N 70 123.071 123.071 121.190 1.881 25703 2077 1 4 . 1 1 70 70 SER HA H 70 4.453 4.453 4.591 -0.138 25703 2078 1 4 . 1 1 70 70 SER C C 70 172.450 172.450 173.739 -1.289 25703 2079 1 4 . 1 1 70 70 SER CA C 70 58.194 58.194 57.441 0.752 25703 2080 1 4 . 1 1 70 70 SER CB C 70 65.148 65.148 63.721 1.427 25703 2081 1 4 . 1 1 70 70 SER H H 70 8.556 8.556 8.542 0.014 25703 2082 1 4 . 1 1 71 71 ALA N N 71 127.000 127.000 124.741 2.259 25703 2083 1 4 . 1 1 71 71 ALA HA H 71 4.554 4.554 4.741 -0.187 25703 2084 1 4 . 1 1 71 71 ALA C C 71 175.018 175.018 175.323 -0.305 25703 2085 1 4 . 1 1 71 71 ALA CA C 71 51.898 51.898 52.015 -0.117 25703 2086 1 4 . 1 1 71 71 ALA CB C 71 21.560 21.560 21.824 -0.264 25703 2087 1 4 . 1 1 71 71 ALA H H 71 7.884 7.884 7.561 0.323 25703 2088 1 4 . 1 1 72 72 MET N N 72 120.240 120.240 119.855 0.385 25703 2089 1 4 . 1 1 72 72 MET HA H 72 4.827 4.827 5.287 -0.460 25703 2090 1 4 . 1 1 72 72 MET CA C 72 57.888 57.888 52.758 5.130 25703 2091 1 4 . 1 1 72 72 MET CB C 72 36.102 36.102 33.814 2.288 25703 2092 1 4 . 1 1 72 72 MET H H 72 8.664 8.664 8.413 0.251 25703 2093 1 4 . 1 1 73 73 PRO HA H 73 4.988 4.988 5.328 -0.340 25703 2094 1 4 . 1 1 73 73 PRO C C 73 175.162 175.162 175.995 -0.833 25703 2095 1 4 . 1 1 73 73 PRO CA C 73 64.042 64.042 61.867 2.175 25703 2096 1 4 . 1 1 73 73 PRO CB C 73 35.151 35.151 33.577 1.575 25703 2097 1 4 . 1 1 74 74 THR N N 74 114.942 114.942 115.229 -0.287 25703 2098 1 4 . 1 1 74 74 THR HA H 74 4.995 4.995 4.866 0.129 25703 2099 1 4 . 1 1 74 74 THR C C 74 170.891 170.891 173.751 -2.860 25703 2100 1 4 . 1 1 74 74 THR CA C 74 63.926 63.926 62.573 1.353 25703 2101 1 4 . 1 1 74 74 THR CB C 74 73.856 73.856 71.091 2.765 25703 2102 1 4 . 1 1 74 74 THR H H 74 7.490 7.490 8.173 -0.683 25703 2103 1 4 . 1 1 75 75 LEU N N 75 132.149 132.149 128.114 4.035 25703 2104 1 4 . 1 1 75 75 LEU HA H 75 5.493 5.493 5.531 -0.038 25703 2105 1 4 . 1 1 75 75 LEU C C 75 174.331 174.331 175.313 -0.982 25703 2106 1 4 . 1 1 75 75 LEU CA C 75 53.852 53.852 54.099 -0.247 25703 2107 1 4 . 1 1 75 75 LEU CB C 75 45.160 45.160 44.705 0.456 25703 2108 1 4 . 1 1 75 75 LEU H H 75 9.427 9.427 8.693 0.734 25703 2109 1 4 . 1 1 76 76 LEU N N 76 124.814 124.814 121.649 3.165 25703 2110 1 4 . 1 1 76 76 LEU HA H 76 4.932 4.932 4.843 0.089 25703 2111 1 4 . 1 1 76 76 LEU C C 76 173.732 173.732 175.897 -2.165 25703 2112 1 4 . 1 1 76 76 LEU CA C 76 54.032 54.032 53.984 0.048 25703 2113 1 4 . 1 1 76 76 LEU CB C 76 46.726 46.726 43.787 2.939 25703 2114 1 4 . 1 1 76 76 LEU H H 76 9.240 9.240 9.204 0.036 25703 2115 1 4 . 1 1 77 77 LEU N N 77 123.770 123.770 122.596 1.174 25703 2116 1 4 . 1 1 77 77 LEU HA H 77 5.251 5.251 5.541 -0.290 25703 2117 1 4 . 1 1 77 77 LEU C C 77 174.442 174.442 176.386 -1.944 25703 2118 1 4 . 1 1 77 77 LEU CA C 77 55.087 55.087 53.830 1.257 25703 2119 1 4 . 1 1 77 77 LEU CB C 77 43.250 43.250 42.276 0.973 25703 2120 1 4 . 1 1 77 77 LEU H H 77 8.175 8.175 8.022 0.153 25703 2121 1 4 . 1 1 78 78 PHE N N 78 122.975 122.975 123.997 -1.022 25703 2122 1 4 . 1 1 78 78 PHE HA H 78 5.397 5.397 4.759 0.638 25703 2123 1 4 . 1 1 78 78 PHE C C 78 173.920 173.920 174.783 -0.863 25703 2124 1 4 . 1 1 78 78 PHE CA C 78 56.867 56.867 57.307 -0.440 25703 2125 1 4 . 1 1 78 78 PHE CB C 78 44.858 44.858 43.127 1.731 25703 2126 1 4 . 1 1 78 78 PHE H H 78 9.742 9.742 8.839 0.903 25703 2127 1 4 . 1 1 79 79 LYS N N 79 118.164 118.164 121.873 -3.709 25703 2128 1 4 . 1 1 79 79 LYS HA H 79 4.817 4.817 5.188 -0.371 25703 2129 1 4 . 1 1 79 79 LYS C C 79 177.194 177.194 176.330 0.864 25703 2130 1 4 . 1 1 79 79 LYS CA C 79 57.980 57.980 55.313 2.667 25703 2131 1 4 . 1 1 79 79 LYS CB C 79 37.031 37.031 34.484 2.547 25703 2132 1 4 . 1 1 79 79 LYS H H 79 8.745 8.745 8.626 0.119 25703 2133 1 4 . 1 1 80 80 ASN N N 80 126.660 126.660 125.697 0.963 25703 2134 1 4 . 1 1 80 80 ASN HA H 80 4.291 4.291 4.326 -0.035 25703 2135 1 4 . 1 1 80 80 ASN C C 80 174.868 174.868 175.932 -1.064 25703 2136 1 4 . 1 1 80 80 ASN CA C 80 54.925 54.925 53.903 1.022 25703 2137 1 4 . 1 1 80 80 ASN CB C 80 38.055 38.055 36.413 1.642 25703 2138 1 4 . 1 1 80 80 ASN H H 80 8.893 8.893 9.429 -0.536 25703 2139 1 4 . 1 1 81 81 GLY N N 81 103.991 103.991 105.694 -1.703 25703 2140 1 4 . 1 1 81 81 GLY C C 81 172.724 172.724 174.897 -2.173 25703 2141 1 4 . 1 1 81 81 GLY CA C 81 46.145 46.145 45.611 0.534 25703 2142 1 4 . 1 1 81 81 GLY H H 81 8.639 8.639 8.866 -0.227 25703 2143 1 4 . 1 1 82 82 LYS N N 82 120.266 120.266 119.861 0.405 25703 2144 1 4 . 1 1 82 82 LYS HA H 82 4.937 4.937 4.391 0.546 25703 2145 1 4 . 1 1 82 82 LYS C C 82 174.364 174.364 176.198 -1.834 25703 2146 1 4 . 1 1 82 82 LYS CA C 82 55.602 55.602 55.704 -0.102 25703 2147 1 4 . 1 1 82 82 LYS CB C 82 35.830 35.830 33.225 2.605 25703 2148 1 4 . 1 1 82 82 LYS H H 82 7.576 7.576 8.142 -0.566 25703 2149 1 4 . 1 1 83 83 GLU N N 83 126.445 126.445 116.951 9.494 25703 2150 1 4 . 1 1 83 83 GLU HA H 83 3.867 3.867 3.723 0.144 25703 2151 1 4 . 1 1 83 83 GLU C C 83 176.728 176.728 174.196 2.532 25703 2152 1 4 . 1 1 83 83 GLU CA C 83 57.345 57.345 57.219 0.126 25703 2153 1 4 . 1 1 83 83 GLU CB C 83 30.927 30.927 29.717 1.210 25703 2154 1 4 . 1 1 83 83 GLU H H 83 8.819 8.819 7.804 1.015 25703 2155 1 4 . 1 1 84 84 VAL N N 84 123.147 123.147 118.627 4.520 25703 2156 1 4 . 1 1 84 84 VAL HA H 84 4.417 4.417 4.179 0.238 25703 2157 1 4 . 1 1 84 84 VAL C C 84 175.128 175.128 173.624 1.504 25703 2158 1 4 . 1 1 84 84 VAL CA C 84 61.453 61.453 62.040 -0.587 25703 2159 1 4 . 1 1 84 84 VAL CB C 84 33.692 33.692 34.632 -0.940 25703 2160 1 4 . 1 1 84 84 VAL H H 84 9.258 9.258 8.377 0.881 25703 2161 1 4 . 1 1 85 85 ALA N N 85 122.281 122.281 121.481 0.800 25703 2162 1 4 . 1 1 85 85 ALA HA H 85 4.414 4.414 4.549 -0.135 25703 2163 1 4 . 1 1 85 85 ALA C C 85 173.291 173.291 174.053 -0.762 25703 2164 1 4 . 1 1 85 85 ALA CA C 85 53.133 53.133 51.627 1.506 25703 2165 1 4 . 1 1 85 85 ALA CB C 85 22.544 22.544 21.504 1.040 25703 2166 1 4 . 1 1 85 85 ALA H H 85 7.573 7.573 7.691 -0.118 25703 2167 1 4 . 1 1 86 86 LYS N N 86 120.704 120.704 121.311 -0.607 25703 2168 1 4 . 1 1 86 86 LYS HA H 86 4.933 4.933 4.545 0.388 25703 2169 1 4 . 1 1 86 86 LYS C C 86 174.506 174.506 174.606 -0.100 25703 2170 1 4 . 1 1 86 86 LYS CA C 86 55.860 55.860 55.594 0.266 25703 2171 1 4 . 1 1 86 86 LYS CB C 86 35.979 35.979 35.878 0.101 25703 2172 1 4 . 1 1 86 86 LYS H H 86 8.014 8.014 8.313 -0.299 25703 2173 1 4 . 1 1 87 87 VAL N N 87 126.817 126.817 126.358 0.459 25703 2174 1 4 . 1 1 87 87 VAL HA H 87 4.276 4.276 4.447 -0.171 25703 2175 1 4 . 1 1 87 87 VAL C C 87 174.002 174.002 173.784 0.218 25703 2176 1 4 . 1 1 87 87 VAL CA C 87 62.070 62.070 59.772 2.298 25703 2177 1 4 . 1 1 87 87 VAL CB C 87 34.958 34.958 35.126 -0.168 25703 2178 1 4 . 1 1 87 87 VAL H H 87 9.186 9.186 9.126 0.060 25703 2179 1 4 . 1 1 88 88 VAL N N 88 129.683 129.683 126.083 3.600 25703 2180 1 4 . 1 1 88 88 VAL HA H 88 4.446 4.446 4.369 0.077 25703 2181 1 4 . 1 1 88 88 VAL C C 88 175.594 175.594 174.904 0.690 25703 2182 1 4 . 1 1 88 88 VAL CA C 88 62.462 62.462 61.532 0.930 25703 2183 1 4 . 1 1 88 88 VAL CB C 88 33.275 33.275 30.953 2.322 25703 2184 1 4 . 1 1 88 88 VAL H H 88 9.026 9.026 8.524 0.502 25703 2185 1 4 . 1 1 89 89 GLY N N 89 114.918 114.918 113.653 1.265 25703 2186 1 4 . 1 1 89 89 GLY CA C 89 44.014 44.014 45.812 -1.798 25703 2187 1 4 . 1 1 89 89 GLY H H 89 8.298 8.298 7.856 0.442 25703 2188 1 4 . 1 1 90 90 ALA HA H 90 4.227 4.227 4.346 -0.118 25703 2189 1 4 . 1 1 90 90 ALA C C 90 174.279 174.279 177.349 -3.070 25703 2190 1 4 . 1 1 90 90 ALA CA C 90 50.915 50.915 52.070 -1.155 25703 2191 1 4 . 1 1 90 90 ALA CB C 90 18.480 18.480 17.849 0.631 25703 2192 1 4 . 1 1 91 91 ASN N N 91 121.022 121.022 122.882 -1.860 25703 2193 1 4 . 1 1 91 91 ASN HA H 91 5.114 5.114 5.110 0.004 25703 2194 1 4 . 1 1 91 91 ASN CA C 91 50.500 50.500 50.558 -0.058 25703 2195 1 4 . 1 1 91 91 ASN CB C 91 39.514 39.514 38.075 1.439 25703 2196 1 4 . 1 1 91 91 ASN H H 91 7.360 7.360 7.965 -0.605 25703 2197 1 4 . 1 1 92 92 PRO HA H 92 4.116 4.116 4.272 -0.156 25703 2198 1 4 . 1 1 92 92 PRO CA C 92 63.392 63.392 65.258 -1.866 25703 2199 1 4 . 1 1 93 93 ALA HA H 93 4.074 4.074 4.498 -0.424 25703 2200 1 4 . 1 1 93 93 ALA C C 93 179.673 179.673 178.769 0.904 25703 2201 1 4 . 1 1 93 93 ALA CA C 93 55.353 55.353 53.920 1.433 25703 2202 1 4 . 1 1 93 93 ALA CB C 93 18.455 18.455 18.386 0.069 25703 2203 1 4 . 1 1 94 94 ALA N N 94 121.514 121.514 120.628 0.886 25703 2204 1 4 . 1 1 94 94 ALA HA H 94 4.064 4.064 4.224 -0.160 25703 2205 1 4 . 1 1 94 94 ALA C C 94 180.373 180.373 179.258 1.115 25703 2206 1 4 . 1 1 94 94 ALA CA C 94 55.418 55.418 54.017 1.401 25703 2207 1 4 . 1 1 94 94 ALA CB C 94 19.268 19.268 18.402 0.866 25703 2208 1 4 . 1 1 94 94 ALA H H 94 7.228 7.228 7.899 -0.670 25703 2209 1 4 . 1 1 95 95 ILE N N 95 120.330 120.330 120.270 0.060 25703 2210 1 4 . 1 1 95 95 ILE HA H 95 3.358 3.358 3.829 -0.471 25703 2211 1 4 . 1 1 95 95 ILE C C 95 175.639 175.639 177.302 -1.663 25703 2212 1 4 . 1 1 95 95 ILE CA C 95 66.564 66.564 62.769 3.795 25703 2213 1 4 . 1 1 95 95 ILE CB C 95 38.854 38.854 38.029 0.825 25703 2214 1 4 . 1 1 95 95 ILE H H 95 7.738 7.738 8.156 -0.418 25703 2215 1 4 . 1 1 96 96 LYS N N 96 119.846 119.846 119.157 0.689 25703 2216 1 4 . 1 1 96 96 LYS HA H 96 3.144 3.144 3.925 -0.781 25703 2217 1 4 . 1 1 96 96 LYS C C 96 177.288 177.288 178.768 -1.480 25703 2218 1 4 . 1 1 96 96 LYS CA C 96 60.420 60.420 59.166 1.254 25703 2219 1 4 . 1 1 96 96 LYS CB C 96 32.612 32.612 31.610 1.002 25703 2220 1 4 . 1 1 96 96 LYS H H 96 8.087 8.087 7.672 0.415 25703 2221 1 4 . 1 1 97 97 GLN N N 97 116.484 116.484 119.507 -3.023 25703 2222 1 4 . 1 1 97 97 GLN HA H 97 3.848 3.848 4.049 -0.201 25703 2223 1 4 . 1 1 97 97 GLN C C 97 177.461 177.461 177.991 -0.530 25703 2224 1 4 . 1 1 97 97 GLN CA C 97 59.069 59.069 58.933 0.136 25703 2225 1 4 . 1 1 97 97 GLN CB C 97 28.799 28.799 28.447 0.352 25703 2226 1 4 . 1 1 97 97 GLN H H 97 7.700 7.700 7.584 0.116 25703 2227 1 4 . 1 1 98 98 ALA N N 98 121.852 121.852 121.931 -0.079 25703 2228 1 4 . 1 1 98 98 ALA HA H 98 3.921 3.921 4.059 -0.138 25703 2229 1 4 . 1 1 98 98 ALA C C 98 174.452 174.452 179.913 -5.461 25703 2230 1 4 . 1 1 98 98 ALA CA C 98 55.207 55.207 54.867 0.340 25703 2231 1 4 . 1 1 98 98 ALA CB C 98 18.356 18.356 18.496 -0.140 25703 2232 1 4 . 1 1 98 98 ALA H H 98 7.456 7.456 7.574 -0.118 25703 2233 1 4 . 1 1 99 99 ILE N N 99 118.810 118.810 118.393 0.417 25703 2234 1 4 . 1 1 99 99 ILE HA H 99 3.037 3.037 3.724 -0.687 25703 2235 1 4 . 1 1 99 99 ILE C C 99 176.476 176.476 177.617 -1.141 25703 2236 1 4 . 1 1 99 99 ILE CA C 99 65.925 65.925 62.621 3.304 25703 2237 1 4 . 1 1 99 99 ILE CB C 99 38.622 38.622 36.939 1.683 25703 2238 1 4 . 1 1 99 99 ILE H H 99 7.692 7.692 8.726 -1.034 25703 2239 1 4 . 1 1 100 100 ALA N N 100 120.478 120.478 121.207 -0.729 25703 2240 1 4 . 1 1 100 100 ALA HA H 100 3.713 3.713 4.196 -0.483 25703 2241 1 4 . 1 1 100 100 ALA C C 100 179.910 179.910 178.824 1.086 25703 2242 1 4 . 1 1 100 100 ALA CA C 100 55.491 55.491 54.133 1.357 25703 2243 1 4 . 1 1 100 100 ALA CB C 100 18.656 18.656 18.822 -0.166 25703 2244 1 4 . 1 1 100 100 ALA H H 100 8.164 8.164 7.797 0.367 25703 2245 1 4 . 1 1 101 101 ALA N N 101 116.616 116.616 120.915 -4.299 25703 2246 1 4 . 1 1 101 101 ALA HA H 101 4.084 4.084 4.073 0.011 25703 2247 1 4 . 1 1 101 101 ALA C C 101 177.705 177.705 179.106 -1.401 25703 2248 1 4 . 1 1 101 101 ALA CA C 101 54.113 54.113 54.116 -0.003 25703 2249 1 4 . 1 1 101 101 ALA CB C 101 19.576 19.576 19.279 0.297 25703 2250 1 4 . 1 1 101 101 ALA H H 101 7.649 7.649 7.823 -0.174 25703 2251 1 4 . 1 1 102 102 ASN N N 102 114.293 114.293 115.249 -0.956 25703 2252 1 4 . 1 1 102 102 ASN HA H 102 4.753 4.753 4.584 0.169 25703 2253 1 4 . 1 1 102 102 ASN C C 102 172.210 172.210 176.229 -4.019 25703 2254 1 4 . 1 1 102 102 ASN CA C 102 54.809 54.809 54.492 0.317 25703 2255 1 4 . 1 1 102 102 ASN CB C 102 43.388 43.388 39.268 4.120 25703 2256 1 4 . 1 1 102 102 ASN H H 102 7.110 7.110 7.889 -0.779 25703 2257 1 5 . 1 1 2 2 VAL N N 2 125.982 125.982 121.929 4.053 25703 2258 1 5 . 1 1 2 2 VAL HA H 2 4.054 4.054 4.510 -0.456 25703 2259 1 5 . 1 1 2 2 VAL CA C 2 61.397 61.397 60.674 0.723 25703 2260 1 5 . 1 1 2 2 VAL CB C 2 32.844 32.844 34.360 -1.516 25703 2261 1 5 . 1 1 2 2 VAL H H 2 8.576 8.576 8.511 0.064 25703 2262 1 5 . 1 1 3 3 THR N N 3 126.926 126.926 122.136 4.790 25703 2263 1 5 . 1 1 3 3 THR HA H 3 4.120 4.120 4.500 -0.380 25703 2264 1 5 . 1 1 3 3 THR C C 3 172.671 172.671 173.095 -0.424 25703 2265 1 5 . 1 1 3 3 THR CA C 3 64.010 64.010 62.529 1.481 25703 2266 1 5 . 1 1 3 3 THR CB C 3 70.030 70.030 69.799 0.231 25703 2267 1 5 . 1 1 3 3 THR H H 3 7.787 7.787 8.297 -0.510 25703 2268 1 5 . 1 1 4 4 GLN N N 4 128.743 128.743 123.221 5.522 25703 2269 1 5 . 1 1 4 4 GLN HA H 4 4.726 4.726 4.642 0.084 25703 2270 1 5 . 1 1 4 4 GLN C C 4 176.254 176.254 174.798 1.456 25703 2271 1 5 . 1 1 4 4 GLN CA C 4 54.925 54.925 54.037 0.888 25703 2272 1 5 . 1 1 4 4 GLN CB C 4 30.039 30.039 30.027 0.012 25703 2273 1 5 . 1 1 4 4 GLN H H 4 8.976 8.976 8.335 0.641 25703 2274 1 5 . 1 1 5 5 PHE N N 5 127.295 127.295 125.304 1.991 25703 2275 1 5 . 1 1 5 5 PHE HA H 5 4.793 4.793 4.354 0.439 25703 2276 1 5 . 1 1 5 5 PHE C C 5 175.627 175.627 176.531 -0.904 25703 2277 1 5 . 1 1 5 5 PHE CA C 5 59.080 59.080 57.151 1.929 25703 2278 1 5 . 1 1 5 5 PHE CB C 5 41.083 41.083 40.906 0.177 25703 2279 1 5 . 1 1 5 5 PHE H H 5 8.434 8.434 8.389 0.045 25703 2280 1 5 . 1 1 6 6 LYS N N 6 120.464 120.464 116.552 3.912 25703 2281 1 5 . 1 1 6 6 LYS HA H 6 4.623 4.623 4.423 0.200 25703 2282 1 5 . 1 1 6 6 LYS C C 6 176.504 176.504 175.913 0.591 25703 2283 1 5 . 1 1 6 6 LYS CA C 6 56.526 56.526 56.276 0.249 25703 2284 1 5 . 1 1 6 6 LYS CB C 6 34.660 34.660 33.830 0.830 25703 2285 1 5 . 1 1 6 6 LYS H H 6 9.821 9.821 8.480 1.341 25703 2286 1 5 . 1 1 7 7 THR N N 7 108.286 108.286 108.320 -0.034 25703 2287 1 5 . 1 1 7 7 THR HA H 7 4.738 4.738 4.691 0.047 25703 2288 1 5 . 1 1 7 7 THR C C 7 173.410 173.410 174.710 -1.300 25703 2289 1 5 . 1 1 7 7 THR CA C 7 59.287 59.287 59.321 -0.034 25703 2290 1 5 . 1 1 7 7 THR CB C 7 73.138 73.138 72.342 0.796 25703 2291 1 5 . 1 1 7 7 THR H H 7 7.467 7.467 7.421 0.046 25703 2292 1 5 . 1 1 8 8 ALA N N 8 125.007 125.007 125.174 -0.167 25703 2293 1 5 . 1 1 8 8 ALA HA H 8 3.705 3.705 4.122 -0.417 25703 2294 1 5 . 1 1 8 8 ALA C C 8 178.859 178.859 179.633 -0.774 25703 2295 1 5 . 1 1 8 8 ALA CA C 8 55.453 55.453 55.218 0.235 25703 2296 1 5 . 1 1 8 8 ALA CB C 8 18.689 18.689 17.896 0.793 25703 2297 1 5 . 1 1 8 8 ALA H H 8 9.038 9.038 8.953 0.085 25703 2298 1 5 . 1 1 9 9 SER N N 9 113.408 113.408 113.845 -0.437 25703 2299 1 5 . 1 1 9 9 SER HA H 9 4.124 4.124 4.078 0.046 25703 2300 1 5 . 1 1 9 9 SER C C 9 176.575 176.575 176.685 -0.110 25703 2301 1 5 . 1 1 9 9 SER CA C 9 61.528 61.528 61.889 -0.361 25703 2302 1 5 . 1 1 9 9 SER CB C 9 62.703 62.703 61.864 0.839 25703 2303 1 5 . 1 1 9 9 SER H H 9 8.159 8.159 8.586 -0.427 25703 2304 1 5 . 1 1 10 10 GLU N N 10 123.005 123.005 121.214 1.791 25703 2305 1 5 . 1 1 10 10 GLU HA H 10 3.853 3.853 3.764 0.089 25703 2306 1 5 . 1 1 10 10 GLU C C 10 178.294 178.294 178.278 0.016 25703 2307 1 5 . 1 1 10 10 GLU CA C 10 59.266 59.266 58.588 0.678 25703 2308 1 5 . 1 1 10 10 GLU CB C 10 31.536 31.536 28.822 2.714 25703 2309 1 5 . 1 1 10 10 GLU H H 10 7.552 7.552 7.426 0.126 25703 2310 1 5 . 1 1 11 11 PHE N N 11 121.633 121.633 120.624 1.009 25703 2311 1 5 . 1 1 11 11 PHE HA H 11 2.864 2.864 3.775 -0.911 25703 2312 1 5 . 1 1 11 11 PHE C C 11 176.786 176.786 176.775 0.011 25703 2313 1 5 . 1 1 11 11 PHE CA C 11 61.182 61.182 61.006 0.176 25703 2314 1 5 . 1 1 11 11 PHE CB C 11 38.202 38.202 39.238 -1.036 25703 2315 1 5 . 1 1 11 11 PHE H H 11 6.632 6.632 7.506 -0.874 25703 2316 1 5 . 1 1 12 12 ASP N N 12 118.991 118.991 119.575 -0.584 25703 2317 1 5 . 1 1 12 12 ASP HA H 12 3.841 3.841 3.849 -0.008 25703 2318 1 5 . 1 1 12 12 ASP C C 12 178.286 178.286 178.781 -0.495 25703 2319 1 5 . 1 1 12 12 ASP CA C 12 57.547 57.547 57.785 -0.238 25703 2320 1 5 . 1 1 12 12 ASP CB C 12 40.790 40.790 40.165 0.625 25703 2321 1 5 . 1 1 12 12 ASP H H 12 7.687 7.687 8.937 -1.250 25703 2322 1 5 . 1 1 13 13 SER N N 13 112.966 112.966 115.173 -2.207 25703 2323 1 5 . 1 1 13 13 SER HA H 13 4.022 4.022 4.139 -0.117 25703 2324 1 5 . 1 1 13 13 SER C C 13 175.827 175.827 175.193 0.634 25703 2325 1 5 . 1 1 13 13 SER CA C 13 61.410 61.410 61.148 0.262 25703 2326 1 5 . 1 1 13 13 SER CB C 13 63.499 63.499 62.949 0.550 25703 2327 1 5 . 1 1 13 13 SER H H 13 7.563 7.563 7.654 -0.091 25703 2328 1 5 . 1 1 14 14 ALA N N 14 124.823 124.823 122.877 1.946 25703 2329 1 5 . 1 1 14 14 ALA HA H 14 4.025 4.025 4.476 -0.451 25703 2330 1 5 . 1 1 14 14 ALA C C 14 179.909 179.909 179.881 0.028 25703 2331 1 5 . 1 1 14 14 ALA CA C 14 54.710 54.710 54.270 0.440 25703 2332 1 5 . 1 1 14 14 ALA CB C 14 19.286 19.286 19.123 0.163 25703 2333 1 5 . 1 1 14 14 ALA H H 14 7.671 7.671 7.096 0.575 25703 2334 1 5 . 1 1 15 15 ILE N N 15 108.002 108.002 114.949 -6.947 25703 2335 1 5 . 1 1 15 15 ILE HA H 15 3.721 3.721 3.791 -0.070 25703 2336 1 5 . 1 1 15 15 ILE C C 15 175.512 175.512 177.119 -1.607 25703 2337 1 5 . 1 1 15 15 ILE CA C 15 64.058 64.058 64.137 -0.079 25703 2338 1 5 . 1 1 15 15 ILE CB C 15 38.277 38.277 37.106 1.171 25703 2339 1 5 . 1 1 15 15 ILE H H 15 7.195 7.195 8.076 -0.881 25703 2340 1 5 . 1 1 16 16 ALA N N 16 123.051 123.051 121.056 1.995 25703 2341 1 5 . 1 1 16 16 ALA HA H 16 4.013 4.013 4.263 -0.250 25703 2342 1 5 . 1 1 16 16 ALA C C 16 176.636 176.636 177.934 -1.298 25703 2343 1 5 . 1 1 16 16 ALA CA C 16 52.318 52.318 52.638 -0.320 25703 2344 1 5 . 1 1 16 16 ALA CB C 16 18.956 18.956 18.441 0.515 25703 2345 1 5 . 1 1 16 16 ALA H H 16 6.623 6.623 7.440 -0.817 25703 2346 1 5 . 1 1 17 17 GLN N N 17 116.236 116.236 118.358 -2.122 25703 2347 1 5 . 1 1 17 17 GLN HA H 17 4.198 4.198 4.244 -0.046 25703 2348 1 5 . 1 1 17 17 GLN C C 17 174.965 174.965 175.842 -0.877 25703 2349 1 5 . 1 1 17 17 GLN CA C 17 56.422 56.422 55.224 1.198 25703 2350 1 5 . 1 1 17 17 GLN CB C 17 34.338 34.338 29.711 4.627 25703 2351 1 5 . 1 1 17 17 GLN H H 17 7.140 7.140 7.517 -0.377 25703 2352 1 5 . 1 1 18 18 ASP N N 18 123.905 123.905 120.090 3.815 25703 2353 1 5 . 1 1 18 18 ASP HA H 18 4.998 4.998 4.676 0.322 25703 2354 1 5 . 1 1 18 18 ASP C C 18 174.817 174.817 175.323 -0.506 25703 2355 1 5 . 1 1 18 18 ASP CB C 18 39.414 39.414 41.115 -1.701 25703 2356 1 5 . 1 1 18 18 ASP H H 18 8.651 8.651 8.806 -0.155 25703 2357 1 5 . 1 1 19 19 LYS N N 19 119.499 119.499 115.593 3.906 25703 2358 1 5 . 1 1 19 19 LYS HA H 19 4.384 4.384 4.614 -0.230 25703 2359 1 5 . 1 1 19 19 LYS C C 19 172.740 172.740 174.918 -2.178 25703 2360 1 5 . 1 1 19 19 LYS CA C 19 55.163 55.163 53.956 1.207 25703 2361 1 5 . 1 1 19 19 LYS CB C 19 34.721 34.721 35.013 -0.292 25703 2362 1 5 . 1 1 19 19 LYS H H 19 7.950 7.950 7.409 0.541 25703 2363 1 5 . 1 1 20 20 LEU N N 20 121.877 121.877 123.820 -1.943 25703 2364 1 5 . 1 1 20 20 LEU HA H 20 4.972 4.972 4.651 0.322 25703 2365 1 5 . 1 1 20 20 LEU C C 20 173.937 173.937 175.511 -1.574 25703 2366 1 5 . 1 1 20 20 LEU CA C 20 57.132 57.132 55.051 2.081 25703 2367 1 5 . 1 1 20 20 LEU CB C 20 42.012 42.012 40.946 1.066 25703 2368 1 5 . 1 1 20 20 LEU H H 20 8.641 8.641 8.741 -0.100 25703 2369 1 5 . 1 1 21 21 VAL N N 21 129.812 129.812 128.272 1.540 25703 2370 1 5 . 1 1 21 21 VAL HA H 21 4.439 4.439 4.599 -0.160 25703 2371 1 5 . 1 1 21 21 VAL C C 21 173.493 173.493 174.434 -0.941 25703 2372 1 5 . 1 1 21 21 VAL CA C 21 62.510 62.510 61.491 1.019 25703 2373 1 5 . 1 1 21 21 VAL CB C 21 34.732 34.732 33.883 0.848 25703 2374 1 5 . 1 1 21 21 VAL H H 21 9.263 9.263 8.954 0.309 25703 2375 1 5 . 1 1 22 22 VAL N N 22 131.684 131.684 130.207 1.477 25703 2376 1 5 . 1 1 22 22 VAL HA H 22 4.408 4.408 5.349 -0.941 25703 2377 1 5 . 1 1 22 22 VAL C C 22 174.331 174.331 174.061 0.270 25703 2378 1 5 . 1 1 22 22 VAL CA C 22 61.561 61.561 59.975 1.586 25703 2379 1 5 . 1 1 22 22 VAL CB C 22 33.630 33.630 33.835 -0.205 25703 2380 1 5 . 1 1 22 22 VAL H H 22 9.006 9.006 8.662 0.344 25703 2381 1 5 . 1 1 23 23 VAL N N 23 126.475 126.475 131.294 -4.819 25703 2382 1 5 . 1 1 23 23 VAL HA H 23 4.422 4.422 5.168 -0.746 25703 2383 1 5 . 1 1 23 23 VAL C C 23 174.342 174.342 174.250 0.092 25703 2384 1 5 . 1 1 23 23 VAL CA C 23 61.672 61.672 60.287 1.385 25703 2385 1 5 . 1 1 23 23 VAL CB C 23 34.042 34.042 35.017 -0.975 25703 2386 1 5 . 1 1 23 23 VAL H H 23 9.551 9.551 8.469 1.082 25703 2387 1 5 . 1 1 24 24 ALA N N 24 131.649 131.649 126.461 5.188 25703 2388 1 5 . 1 1 24 24 ALA HA H 24 4.953 4.953 5.475 -0.522 25703 2389 1 5 . 1 1 24 24 ALA C C 24 174.683 174.683 176.044 -1.361 25703 2390 1 5 . 1 1 24 24 ALA CA C 24 51.712 51.712 49.277 2.435 25703 2391 1 5 . 1 1 24 24 ALA CB C 24 20.149 20.149 22.566 -2.417 25703 2392 1 5 . 1 1 24 24 ALA H H 24 8.991 8.991 8.140 0.851 25703 2393 1 5 . 1 1 25 25 PHE N N 25 124.535 124.535 122.204 2.331 25703 2394 1 5 . 1 1 25 25 PHE HA H 25 5.002 5.002 4.779 0.223 25703 2395 1 5 . 1 1 25 25 PHE C C 25 174.231 174.231 174.777 -0.546 25703 2396 1 5 . 1 1 25 25 PHE CA C 25 58.196 58.196 58.574 -0.378 25703 2397 1 5 . 1 1 25 25 PHE CB C 25 40.231 40.231 39.621 0.610 25703 2398 1 5 . 1 1 25 25 PHE H H 25 9.231 9.231 8.153 1.078 25703 2399 1 5 . 1 1 26 26 TYR N N 26 121.986 121.986 122.761 -0.775 25703 2400 1 5 . 1 1 26 26 TYR HA H 26 5.112 5.112 4.666 0.446 25703 2401 1 5 . 1 1 26 26 TYR C C 26 170.727 170.727 174.605 -3.878 25703 2402 1 5 . 1 1 26 26 TYR CA C 26 55.240 55.240 55.777 -0.537 25703 2403 1 5 . 1 1 26 26 TYR CB C 26 43.023 43.023 42.891 0.132 25703 2404 1 5 . 1 1 26 26 TYR H H 26 8.869 8.869 8.922 -0.053 25703 2405 1 5 . 1 1 27 27 ALA N N 27 117.474 117.474 120.136 -2.662 25703 2406 1 5 . 1 1 27 27 ALA HA H 27 4.329 4.329 4.355 -0.026 25703 2407 1 5 . 1 1 27 27 ALA C C 27 178.755 178.755 176.563 2.192 25703 2408 1 5 . 1 1 27 27 ALA CA C 27 50.966 50.966 51.367 -0.401 25703 2409 1 5 . 1 1 27 27 ALA CB C 27 22.735 22.735 19.965 2.770 25703 2410 1 5 . 1 1 27 27 ALA H H 27 6.235 6.235 7.862 -1.627 25703 2411 1 5 . 1 1 28 28 THR N N 28 119.624 119.624 112.992 6.632 25703 2412 1 5 . 1 1 28 28 THR HA H 28 3.907 3.907 4.176 -0.269 25703 2413 1 5 . 1 1 28 28 THR C C 28 174.360 174.360 174.511 -0.151 25703 2414 1 5 . 1 1 28 28 THR CA C 28 65.865 65.865 63.647 2.218 25703 2415 1 5 . 1 1 28 28 THR CB C 28 69.336 69.336 68.987 0.349 25703 2416 1 5 . 1 1 28 28 THR H H 28 10.381 10.381 8.189 2.192 25703 2417 1 5 . 1 1 29 29 TRP N N 29 115.983 115.983 120.718 -4.735 25703 2418 1 5 . 1 1 29 29 TRP HA H 29 4.590 4.590 5.100 -0.510 25703 2419 1 5 . 1 1 29 29 TRP CA C 29 53.924 53.924 55.115 -1.191 25703 2420 1 5 . 1 1 29 29 TRP CB C 29 29.460 29.460 27.762 1.698 25703 2421 1 5 . 1 1 29 29 TRP H H 29 6.472 6.472 6.899 -0.427 25703 2422 1 5 . 1 1 30 30 CYS HA H 30 3.857 3.857 4.953 -1.096 25703 2423 1 5 . 1 1 30 30 CYS CA C 30 58.536 58.536 57.687 0.849 25703 2424 1 5 . 1 1 30 30 CYS CB C 30 37.005 37.005 30.874 6.131 25703 2425 1 5 . 1 1 31 31 GLY CA C 31 48.989 48.989 46.654 2.335 25703 2426 1 5 . 1 1 32 32 PRO HA H 32 4.398 4.398 4.233 0.165 25703 2427 1 5 . 1 1 32 32 PRO C C 32 177.189 177.189 178.293 -1.104 25703 2428 1 5 . 1 1 32 32 PRO CA C 32 65.366 65.366 65.111 0.255 25703 2429 1 5 . 1 1 32 32 PRO CB C 32 32.289 32.289 31.158 1.131 25703 2430 1 5 . 1 1 33 33 CYS N N 33 111.468 111.468 112.696 -1.228 25703 2431 1 5 . 1 1 33 33 CYS HA H 33 4.223 4.223 3.628 0.595 25703 2432 1 5 . 1 1 33 33 CYS CA C 33 65.801 65.801 61.195 4.606 25703 2433 1 5 . 1 1 33 33 CYS CB C 33 34.949 34.949 25.913 9.037 25703 2434 1 5 . 1 1 33 33 CYS H H 33 7.991 7.991 8.478 -0.487 25703 2435 1 5 . 1 1 34 34 LYS HA H 34 3.968 3.968 3.904 0.064 25703 2436 1 5 . 1 1 34 34 LYS C C 34 178.052 178.052 178.066 -0.014 25703 2437 1 5 . 1 1 34 34 LYS CA C 34 59.661 59.661 58.879 0.782 25703 2438 1 5 . 1 1 34 34 LYS CB C 34 32.513 32.513 32.254 0.259 25703 2439 1 5 . 1 1 35 35 MET N N 35 117.236 117.236 115.253 1.983 25703 2440 1 5 . 1 1 35 35 MET HA H 35 4.194 4.194 4.326 -0.132 25703 2441 1 5 . 1 1 35 35 MET C C 35 177.451 177.451 178.305 -0.854 25703 2442 1 5 . 1 1 35 35 MET CA C 35 57.938 57.938 58.132 -0.194 25703 2443 1 5 . 1 1 35 35 MET CB C 35 32.628 32.628 33.438 -0.810 25703 2444 1 5 . 1 1 35 35 MET H H 35 7.326 7.326 7.484 -0.158 25703 2445 1 5 . 1 1 36 36 ILE N N 36 113.758 113.758 119.688 -5.930 25703 2446 1 5 . 1 1 36 36 ILE HA H 36 4.345 4.345 3.846 0.499 25703 2447 1 5 . 1 1 36 36 ILE C C 36 176.183 176.183 176.486 -0.303 25703 2448 1 5 . 1 1 36 36 ILE CA C 36 60.656 60.656 62.789 -2.133 25703 2449 1 5 . 1 1 36 36 ILE CB C 36 39.657 39.657 37.361 2.296 25703 2450 1 5 . 1 1 36 36 ILE H H 36 7.315 7.315 8.053 -0.738 25703 2451 1 5 . 1 1 37 37 ALA N N 37 126.738 126.738 125.169 1.569 25703 2452 1 5 . 1 1 37 37 ALA HA H 37 4.095 4.095 4.342 -0.247 25703 2453 1 5 . 1 1 37 37 ALA CA C 37 57.562 57.562 56.020 1.542 25703 2454 1 5 . 1 1 37 37 ALA CB C 37 15.912 15.912 16.386 -0.474 25703 2455 1 5 . 1 1 37 37 ALA H H 37 7.447 7.447 7.800 -0.353 25703 2456 1 5 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.260 0.010 25703 2457 1 5 . 1 1 38 38 PRO C C 38 178.922 178.922 178.502 0.420 25703 2458 1 5 . 1 1 38 38 PRO CA C 38 65.743 65.743 65.375 0.368 25703 2459 1 5 . 1 1 38 38 PRO CB C 38 31.224 31.224 31.304 -0.080 25703 2460 1 5 . 1 1 39 39 MET N N 39 118.310 118.310 118.264 0.046 25703 2461 1 5 . 1 1 39 39 MET HA H 39 3.859 3.859 3.953 -0.094 25703 2462 1 5 . 1 1 39 39 MET C C 39 174.441 174.441 178.462 -4.021 25703 2463 1 5 . 1 1 39 39 MET CA C 39 58.390 58.390 57.600 0.790 25703 2464 1 5 . 1 1 39 39 MET CB C 39 31.394 31.394 31.203 0.191 25703 2465 1 5 . 1 1 39 39 MET H H 39 7.063 7.063 7.200 -0.137 25703 2466 1 5 . 1 1 40 40 ILE N N 40 119.013 119.013 119.421 -0.408 25703 2467 1 5 . 1 1 40 40 ILE HA H 40 3.595 3.595 3.496 0.099 25703 2468 1 5 . 1 1 40 40 ILE C C 40 177.267 177.267 177.434 -0.167 25703 2469 1 5 . 1 1 40 40 ILE CA C 40 64.393 64.393 64.737 -0.344 25703 2470 1 5 . 1 1 40 40 ILE CB C 40 36.259 36.259 37.304 -1.046 25703 2471 1 5 . 1 1 40 40 ILE H H 40 7.752 7.752 8.816 -1.064 25703 2472 1 5 . 1 1 41 41 GLU N N 41 119.530 119.530 120.034 -0.504 25703 2473 1 5 . 1 1 41 41 GLU HA H 41 3.572 3.572 3.857 -0.285 25703 2474 1 5 . 1 1 41 41 GLU C C 41 179.597 179.597 179.120 0.477 25703 2475 1 5 . 1 1 41 41 GLU CA C 41 59.878 59.878 59.196 0.682 25703 2476 1 5 . 1 1 41 41 GLU CB C 41 29.900 29.900 29.110 0.790 25703 2477 1 5 . 1 1 41 41 GLU H H 41 7.442 7.442 7.548 -0.106 25703 2478 1 5 . 1 1 42 42 LYS N N 42 122.053 122.053 120.526 1.527 25703 2479 1 5 . 1 1 42 42 LYS HA H 42 3.932 3.932 4.096 -0.164 25703 2480 1 5 . 1 1 42 42 LYS C C 42 179.390 179.390 179.065 0.325 25703 2481 1 5 . 1 1 42 42 LYS CA C 42 59.532 59.532 59.558 -0.026 25703 2482 1 5 . 1 1 42 42 LYS CB C 42 31.281 31.281 32.224 -0.943 25703 2483 1 5 . 1 1 42 42 LYS H H 42 7.428 7.428 7.620 -0.192 25703 2484 1 5 . 1 1 43 43 PHE N N 43 120.250 120.250 118.821 1.429 25703 2485 1 5 . 1 1 43 43 PHE HA H 43 4.639 4.639 4.733 -0.094 25703 2486 1 5 . 1 1 43 43 PHE C C 43 177.337 177.337 177.996 -0.659 25703 2487 1 5 . 1 1 43 43 PHE CA C 43 59.331 59.331 59.286 0.045 25703 2488 1 5 . 1 1 43 43 PHE CB C 43 37.737 37.737 38.295 -0.558 25703 2489 1 5 . 1 1 43 43 PHE H H 43 8.337 8.337 8.401 -0.064 25703 2490 1 5 . 1 1 44 44 SER N N 44 117.203 117.203 114.303 2.900 25703 2491 1 5 . 1 1 44 44 SER HA H 44 2.967 2.967 4.433 -1.466 25703 2492 1 5 . 1 1 44 44 SER C C 44 174.934 174.934 176.535 -1.601 25703 2493 1 5 . 1 1 44 44 SER CA C 44 61.159 61.159 60.718 0.441 25703 2494 1 5 . 1 1 44 44 SER CB C 44 62.353 62.353 63.264 -0.911 25703 2495 1 5 . 1 1 44 44 SER H H 44 7.754 7.754 8.179 -0.425 25703 2496 1 5 . 1 1 45 45 GLU N N 45 121.664 121.664 121.743 -0.079 25703 2497 1 5 . 1 1 45 45 GLU HA H 45 4.049 4.049 4.336 -0.287 25703 2498 1 5 . 1 1 45 45 GLU C C 45 177.360 177.360 177.357 0.003 25703 2499 1 5 . 1 1 45 45 GLU CA C 45 57.739 57.739 57.993 -0.254 25703 2500 1 5 . 1 1 45 45 GLU CB C 45 30.191 30.191 29.840 0.351 25703 2501 1 5 . 1 1 45 45 GLU H H 45 6.884 6.884 7.976 -1.092 25703 2502 1 5 . 1 1 46 46 GLN N N 46 118.766 118.766 115.953 2.813 25703 2503 1 5 . 1 1 46 46 GLN HA H 46 3.948 3.948 4.474 -0.526 25703 2504 1 5 . 1 1 46 46 GLN C C 46 177.431 177.431 175.745 1.686 25703 2505 1 5 . 1 1 46 46 GLN CA C 46 58.372 58.372 54.914 3.458 25703 2506 1 5 . 1 1 46 46 GLN CB C 46 30.160 30.160 28.724 1.437 25703 2507 1 5 . 1 1 46 46 GLN H H 46 7.551 7.551 7.520 0.031 25703 2508 1 5 . 1 1 47 47 TYR N N 47 117.012 117.012 121.782 -4.770 25703 2509 1 5 . 1 1 47 47 TYR HA H 47 4.971 4.971 4.550 0.421 25703 2510 1 5 . 1 1 47 47 TYR CA C 47 56.523 56.523 55.943 0.580 25703 2511 1 5 . 1 1 47 47 TYR CB C 47 38.479 38.479 38.247 0.232 25703 2512 1 5 . 1 1 47 47 TYR H H 47 7.426 7.426 7.387 0.039 25703 2513 1 5 . 1 1 48 48 PRO HA H 48 4.388 4.388 4.430 -0.042 25703 2514 1 5 . 1 1 48 48 PRO C C 48 176.927 176.927 177.462 -0.535 25703 2515 1 5 . 1 1 48 48 PRO CA C 48 65.425 65.425 63.852 1.573 25703 2516 1 5 . 1 1 48 48 PRO CB C 48 32.619 32.619 32.214 0.405 25703 2517 1 5 . 1 1 49 49 GLN N N 49 120.194 120.194 118.104 2.090 25703 2518 1 5 . 1 1 49 49 GLN HA H 49 4.369 4.369 4.297 0.072 25703 2519 1 5 . 1 1 49 49 GLN C C 49 174.438 174.438 174.862 -0.424 25703 2520 1 5 . 1 1 49 49 GLN CA C 49 56.832 56.832 55.844 0.988 25703 2521 1 5 . 1 1 49 49 GLN CB C 49 28.164 28.164 28.946 -0.782 25703 2522 1 5 . 1 1 49 49 GLN H H 49 9.624 9.624 8.558 1.066 25703 2523 1 5 . 1 1 50 50 ALA N N 50 128.180 128.180 120.267 7.913 25703 2524 1 5 . 1 1 50 50 ALA HA H 50 5.048 5.048 4.358 0.690 25703 2525 1 5 . 1 1 50 50 ALA C C 50 174.685 174.685 176.057 -1.372 25703 2526 1 5 . 1 1 50 50 ALA CA C 50 50.518 50.518 50.575 -0.057 25703 2527 1 5 . 1 1 50 50 ALA CB C 50 22.754 22.754 20.847 1.907 25703 2528 1 5 . 1 1 50 50 ALA H H 50 8.179 8.179 7.357 0.822 25703 2529 1 5 . 1 1 51 51 ASP N N 51 121.032 121.032 120.099 0.933 25703 2530 1 5 . 1 1 51 51 ASP HA H 51 5.102 5.102 4.836 0.266 25703 2531 1 5 . 1 1 51 51 ASP C C 51 174.171 174.171 174.310 -0.139 25703 2532 1 5 . 1 1 51 51 ASP CA C 51 53.515 53.515 53.776 -0.261 25703 2533 1 5 . 1 1 51 51 ASP CB C 51 44.782 44.782 43.759 1.023 25703 2534 1 5 . 1 1 51 51 ASP H H 51 8.435 8.435 8.369 0.066 25703 2535 1 5 . 1 1 52 52 PHE N N 52 121.696 121.696 123.250 -1.554 25703 2536 1 5 . 1 1 52 52 PHE HA H 52 5.172 5.172 4.607 0.565 25703 2537 1 5 . 1 1 52 52 PHE C C 52 174.110 174.110 173.478 0.632 25703 2538 1 5 . 1 1 52 52 PHE CA C 52 57.189 57.189 55.039 2.150 25703 2539 1 5 . 1 1 52 52 PHE CB C 52 42.291 42.291 40.275 2.016 25703 2540 1 5 . 1 1 52 52 PHE H H 52 8.983 8.983 8.618 0.365 25703 2541 1 5 . 1 1 53 53 TYR N N 53 122.042 122.042 123.744 -1.702 25703 2542 1 5 . 1 1 53 53 TYR HA H 53 5.495 5.495 5.020 0.475 25703 2543 1 5 . 1 1 53 53 TYR C C 53 174.002 174.002 174.945 -0.943 25703 2544 1 5 . 1 1 53 53 TYR CA C 53 56.214 56.214 55.450 0.764 25703 2545 1 5 . 1 1 53 53 TYR CB C 53 46.407 46.407 41.815 4.592 25703 2546 1 5 . 1 1 53 53 TYR H H 53 9.362 9.362 9.177 0.185 25703 2547 1 5 . 1 1 54 54 LYS N N 54 116.808 116.808 121.865 -5.057 25703 2548 1 5 . 1 1 54 54 LYS HA H 54 5.505 5.505 4.673 0.832 25703 2549 1 5 . 1 1 54 54 LYS C C 54 172.792 172.792 174.695 -1.903 25703 2550 1 5 . 1 1 54 54 LYS CA C 54 53.943 53.943 54.515 -0.572 25703 2551 1 5 . 1 1 54 54 LYS CB C 54 36.950 36.950 33.531 3.419 25703 2552 1 5 . 1 1 54 54 LYS H H 54 8.463 8.463 8.735 -0.272 25703 2553 1 5 . 1 1 55 55 LEU N N 55 123.826 123.826 122.863 0.963 25703 2554 1 5 . 1 1 55 55 LEU HA H 55 4.472 4.472 4.521 -0.049 25703 2555 1 5 . 1 1 55 55 LEU C C 55 171.652 171.652 175.617 -3.965 25703 2556 1 5 . 1 1 55 55 LEU CA C 55 55.906 55.906 53.150 2.756 25703 2557 1 5 . 1 1 55 55 LEU CB C 55 46.528 46.528 43.940 2.588 25703 2558 1 5 . 1 1 55 55 LEU H H 55 8.688 8.688 8.861 -0.173 25703 2559 1 5 . 1 1 56 56 ASP N N 56 127.169 127.169 119.053 8.116 25703 2560 1 5 . 1 1 56 56 ASP HA H 56 4.130 4.130 4.734 -0.604 25703 2561 1 5 . 1 1 56 56 ASP C C 56 177.692 177.692 175.949 1.743 25703 2562 1 5 . 1 1 56 56 ASP CA C 56 54.074 54.074 53.143 0.931 25703 2563 1 5 . 1 1 56 56 ASP CB C 56 41.388 41.388 42.113 -0.725 25703 2564 1 5 . 1 1 56 56 ASP H H 56 8.595 8.595 8.392 0.203 25703 2565 1 5 . 1 1 57 57 VAL N N 57 123.562 123.562 124.019 -0.457 25703 2566 1 5 . 1 1 57 57 VAL HA H 57 3.491 3.491 3.859 -0.368 25703 2567 1 5 . 1 1 57 57 VAL C C 57 175.413 175.413 176.208 -0.795 25703 2568 1 5 . 1 1 57 57 VAL CA C 57 65.095 65.095 64.774 0.321 25703 2569 1 5 . 1 1 57 57 VAL CB C 57 31.658 31.658 31.806 -0.148 25703 2570 1 5 . 1 1 57 57 VAL H H 57 8.712 8.712 8.881 -0.169 25703 2571 1 5 . 1 1 58 58 ASP N N 58 120.070 120.070 119.482 0.588 25703 2572 1 5 . 1 1 58 58 ASP HA H 58 4.827 4.827 4.486 0.341 25703 2573 1 5 . 1 1 58 58 ASP C C 58 177.131 177.131 178.258 -1.127 25703 2574 1 5 . 1 1 58 58 ASP CA C 58 57.693 57.693 57.171 0.522 25703 2575 1 5 . 1 1 58 58 ASP CB C 58 40.827 40.827 41.276 -0.449 25703 2576 1 5 . 1 1 58 58 ASP H H 58 8.670 8.670 8.328 0.342 25703 2577 1 5 . 1 1 59 59 GLU N N 59 120.889 120.889 118.295 2.594 25703 2578 1 5 . 1 1 59 59 GLU HA H 59 4.358 4.358 4.298 0.060 25703 2579 1 5 . 1 1 59 59 GLU C C 59 176.606 176.606 178.403 -1.797 25703 2580 1 5 . 1 1 59 59 GLU CA C 59 57.881 57.881 57.750 0.131 25703 2581 1 5 . 1 1 59 59 GLU CB C 59 32.138 32.138 30.554 1.584 25703 2582 1 5 . 1 1 59 59 GLU H H 59 7.616 7.616 8.598 -0.982 25703 2583 1 5 . 1 1 60 60 LEU N N 60 122.457 122.457 120.832 1.625 25703 2584 1 5 . 1 1 60 60 LEU HA H 60 4.916 4.916 4.685 0.231 25703 2585 1 5 . 1 1 60 60 LEU C C 60 176.538 176.538 176.889 -0.351 25703 2586 1 5 . 1 1 60 60 LEU CA C 60 52.864 52.864 53.060 -0.196 25703 2587 1 5 . 1 1 60 60 LEU CB C 60 42.270 42.270 38.914 3.356 25703 2588 1 5 . 1 1 60 60 LEU H H 60 7.690 7.690 8.435 -0.745 25703 2589 1 5 . 1 1 61 61 GLY N N 61 112.065 112.065 109.592 2.473 25703 2590 1 5 . 1 1 61 61 GLY C C 61 175.917 175.917 175.342 0.575 25703 2591 1 5 . 1 1 61 61 GLY CA C 61 48.760 48.760 46.920 1.840 25703 2592 1 5 . 1 1 61 61 GLY H H 61 8.267 8.267 7.728 0.539 25703 2593 1 5 . 1 1 62 62 ASP N N 62 120.904 120.904 120.592 0.312 25703 2594 1 5 . 1 1 62 62 ASP HA H 62 4.302 4.302 4.355 -0.053 25703 2595 1 5 . 1 1 62 62 ASP C C 62 178.355 178.355 178.020 0.335 25703 2596 1 5 . 1 1 62 62 ASP CA C 62 57.045 57.045 57.065 -0.020 25703 2597 1 5 . 1 1 62 62 ASP CB C 62 39.646 39.646 40.567 -0.921 25703 2598 1 5 . 1 1 62 62 ASP H H 62 9.155 9.155 8.229 0.926 25703 2599 1 5 . 1 1 63 63 VAL N N 63 121.465 121.465 118.738 2.727 25703 2600 1 5 . 1 1 63 63 VAL HA H 63 3.310 3.310 3.627 -0.317 25703 2601 1 5 . 1 1 63 63 VAL C C 63 178.724 178.724 176.839 1.885 25703 2602 1 5 . 1 1 63 63 VAL CA C 63 65.878 65.878 65.252 0.626 25703 2603 1 5 . 1 1 63 63 VAL CB C 63 31.718 31.718 31.611 0.107 25703 2604 1 5 . 1 1 63 63 VAL H H 63 7.263 7.263 7.933 -0.670 25703 2605 1 5 . 1 1 64 64 ALA N N 64 123.341 123.341 121.335 2.006 25703 2606 1 5 . 1 1 64 64 ALA HA H 64 3.774 3.774 3.086 0.688 25703 2607 1 5 . 1 1 64 64 ALA C C 64 177.984 177.984 179.437 -1.453 25703 2608 1 5 . 1 1 64 64 ALA CA C 64 56.326 56.326 54.748 1.578 25703 2609 1 5 . 1 1 64 64 ALA CB C 64 18.296 18.296 17.627 0.669 25703 2610 1 5 . 1 1 64 64 ALA H H 64 7.248 7.248 7.372 -0.124 25703 2611 1 5 . 1 1 65 65 GLN N N 65 118.749 118.749 116.324 2.425 25703 2612 1 5 . 1 1 65 65 GLN HA H 65 4.013 4.013 4.092 -0.079 25703 2613 1 5 . 1 1 65 65 GLN CA C 65 59.524 59.524 57.862 1.662 25703 2614 1 5 . 1 1 65 65 GLN CB C 65 28.802 28.802 28.102 0.699 25703 2615 1 5 . 1 1 65 65 GLN H H 65 8.276 8.276 7.869 0.407 25703 2616 1 5 . 1 1 66 66 LYS N N 66 120.950 120.950 120.847 0.103 25703 2617 1 5 . 1 1 66 66 LYS HA H 66 4.033 4.033 4.113 -0.080 25703 2618 1 5 . 1 1 66 66 LYS C C 66 176.439 176.439 178.109 -1.670 25703 2619 1 5 . 1 1 66 66 LYS CA C 66 59.276 59.276 59.102 0.174 25703 2620 1 5 . 1 1 66 66 LYS CB C 66 32.706 32.706 32.256 0.450 25703 2621 1 5 . 1 1 66 66 LYS H H 66 7.984 7.984 7.952 0.032 25703 2622 1 5 . 1 1 67 67 ASN N N 67 115.512 115.512 115.427 0.085 25703 2623 1 5 . 1 1 67 67 ASN HA H 67 4.698 4.698 5.049 -0.351 25703 2624 1 5 . 1 1 67 67 ASN C C 67 171.075 171.075 173.880 -2.805 25703 2625 1 5 . 1 1 67 67 ASN CA C 67 54.555 54.555 53.407 1.148 25703 2626 1 5 . 1 1 67 67 ASN CB C 67 40.572 40.572 39.078 1.494 25703 2627 1 5 . 1 1 67 67 ASN H H 67 7.052 7.052 7.614 -0.562 25703 2628 1 5 . 1 1 68 68 GLU N N 68 115.540 115.540 115.566 -0.026 25703 2629 1 5 . 1 1 68 68 GLU HA H 68 3.724 3.724 3.902 -0.178 25703 2630 1 5 . 1 1 68 68 GLU C C 68 175.135 175.135 175.008 0.127 25703 2631 1 5 . 1 1 68 68 GLU CA C 68 57.472 57.472 56.871 0.601 25703 2632 1 5 . 1 1 68 68 GLU CB C 68 27.320 27.320 27.505 -0.185 25703 2633 1 5 . 1 1 68 68 GLU H H 68 7.708 7.708 7.514 0.194 25703 2634 1 5 . 1 1 69 69 VAL N N 69 121.037 121.037 120.028 1.009 25703 2635 1 5 . 1 1 69 69 VAL HA H 69 3.891 3.891 3.999 -0.108 25703 2636 1 5 . 1 1 69 69 VAL C C 69 174.845 174.845 176.037 -1.192 25703 2637 1 5 . 1 1 69 69 VAL CA C 69 63.315 63.315 63.074 0.241 25703 2638 1 5 . 1 1 69 69 VAL CB C 69 31.259 31.259 30.500 0.759 25703 2639 1 5 . 1 1 69 69 VAL H H 69 7.786 7.786 8.278 -0.492 25703 2640 1 5 . 1 1 70 70 SER N N 70 123.071 123.071 121.753 1.318 25703 2641 1 5 . 1 1 70 70 SER HA H 70 4.453 4.453 4.572 -0.119 25703 2642 1 5 . 1 1 70 70 SER C C 70 172.450 172.450 174.098 -1.648 25703 2643 1 5 . 1 1 70 70 SER CA C 70 58.194 58.194 57.796 0.398 25703 2644 1 5 . 1 1 70 70 SER CB C 70 65.148 65.148 64.312 0.836 25703 2645 1 5 . 1 1 70 70 SER H H 70 8.556 8.556 8.393 0.163 25703 2646 1 5 . 1 1 71 71 ALA N N 71 127.000 127.000 125.699 1.301 25703 2647 1 5 . 1 1 71 71 ALA HA H 71 4.554 4.554 4.702 -0.148 25703 2648 1 5 . 1 1 71 71 ALA C C 71 175.018 175.018 174.927 0.091 25703 2649 1 5 . 1 1 71 71 ALA CA C 71 51.898 51.898 52.305 -0.407 25703 2650 1 5 . 1 1 71 71 ALA CB C 71 21.560 21.560 21.391 0.169 25703 2651 1 5 . 1 1 71 71 ALA H H 71 7.884 7.884 8.013 -0.129 25703 2652 1 5 . 1 1 72 72 MET N N 72 120.240 120.240 121.009 -0.769 25703 2653 1 5 . 1 1 72 72 MET HA H 72 4.827 4.827 5.228 -0.401 25703 2654 1 5 . 1 1 72 72 MET CA C 72 57.888 57.888 51.696 6.192 25703 2655 1 5 . 1 1 72 72 MET CB C 72 36.102 36.102 33.315 2.788 25703 2656 1 5 . 1 1 72 72 MET H H 72 8.664 8.664 8.286 0.378 25703 2657 1 5 . 1 1 73 73 PRO HA H 73 4.988 4.988 4.870 0.118 25703 2658 1 5 . 1 1 73 73 PRO C C 73 175.162 175.162 176.081 -0.919 25703 2659 1 5 . 1 1 73 73 PRO CA C 73 64.042 64.042 62.265 1.777 25703 2660 1 5 . 1 1 73 73 PRO CB C 73 35.151 35.151 33.655 1.496 25703 2661 1 5 . 1 1 74 74 THR N N 74 114.942 114.942 114.753 0.189 25703 2662 1 5 . 1 1 74 74 THR HA H 74 4.995 4.995 4.762 0.233 25703 2663 1 5 . 1 1 74 74 THR C C 74 170.891 170.891 173.299 -2.408 25703 2664 1 5 . 1 1 74 74 THR CA C 74 63.926 63.926 62.087 1.839 25703 2665 1 5 . 1 1 74 74 THR CB C 74 73.856 73.856 71.174 2.682 25703 2666 1 5 . 1 1 74 74 THR H H 74 7.490 7.490 8.359 -0.869 25703 2667 1 5 . 1 1 75 75 LEU N N 75 132.149 132.149 129.538 2.611 25703 2668 1 5 . 1 1 75 75 LEU HA H 75 5.493 5.493 4.984 0.509 25703 2669 1 5 . 1 1 75 75 LEU C C 75 174.331 174.331 174.659 -0.328 25703 2670 1 5 . 1 1 75 75 LEU CA C 75 53.852 53.852 53.776 0.076 25703 2671 1 5 . 1 1 75 75 LEU CB C 75 45.160 45.160 42.305 2.855 25703 2672 1 5 . 1 1 75 75 LEU H H 75 9.427 9.427 9.239 0.188 25703 2673 1 5 . 1 1 76 76 LEU N N 76 124.814 124.814 125.630 -0.816 25703 2674 1 5 . 1 1 76 76 LEU HA H 76 4.932 4.932 4.926 0.006 25703 2675 1 5 . 1 1 76 76 LEU C C 76 173.732 173.732 175.654 -1.922 25703 2676 1 5 . 1 1 76 76 LEU CA C 76 54.032 54.032 52.941 1.091 25703 2677 1 5 . 1 1 76 76 LEU CB C 76 46.726 46.726 42.624 4.102 25703 2678 1 5 . 1 1 76 76 LEU H H 76 9.240 9.240 8.426 0.814 25703 2679 1 5 . 1 1 77 77 LEU N N 77 123.770 123.770 120.728 3.042 25703 2680 1 5 . 1 1 77 77 LEU HA H 77 5.251 5.251 4.956 0.295 25703 2681 1 5 . 1 1 77 77 LEU C C 77 174.442 174.442 176.035 -1.593 25703 2682 1 5 . 1 1 77 77 LEU CA C 77 55.087 55.087 54.137 0.950 25703 2683 1 5 . 1 1 77 77 LEU CB C 77 43.250 43.250 41.584 1.666 25703 2684 1 5 . 1 1 77 77 LEU H H 77 8.175 8.175 7.965 0.210 25703 2685 1 5 . 1 1 78 78 PHE N N 78 122.975 122.975 124.304 -1.329 25703 2686 1 5 . 1 1 78 78 PHE HA H 78 5.397 5.397 4.879 0.518 25703 2687 1 5 . 1 1 78 78 PHE C C 78 173.920 173.920 175.041 -1.121 25703 2688 1 5 . 1 1 78 78 PHE CA C 78 56.867 56.867 57.452 -0.584 25703 2689 1 5 . 1 1 78 78 PHE CB C 78 44.858 44.858 43.124 1.734 25703 2690 1 5 . 1 1 78 78 PHE H H 78 9.742 9.742 9.343 0.399 25703 2691 1 5 . 1 1 79 79 LYS N N 79 118.164 118.164 120.769 -2.605 25703 2692 1 5 . 1 1 79 79 LYS HA H 79 4.817 4.817 4.874 -0.057 25703 2693 1 5 . 1 1 79 79 LYS C C 79 177.194 177.194 175.965 1.229 25703 2694 1 5 . 1 1 79 79 LYS CA C 79 57.980 57.980 55.825 2.155 25703 2695 1 5 . 1 1 79 79 LYS CB C 79 37.031 37.031 34.908 2.123 25703 2696 1 5 . 1 1 79 79 LYS H H 79 8.745 8.745 8.695 0.050 25703 2697 1 5 . 1 1 80 80 ASN N N 80 126.660 126.660 124.678 1.982 25703 2698 1 5 . 1 1 80 80 ASN HA H 80 4.291 4.291 4.518 -0.227 25703 2699 1 5 . 1 1 80 80 ASN C C 80 174.868 174.868 174.990 -0.122 25703 2700 1 5 . 1 1 80 80 ASN CA C 80 54.925 54.925 54.810 0.115 25703 2701 1 5 . 1 1 80 80 ASN CB C 80 38.055 38.055 37.257 0.798 25703 2702 1 5 . 1 1 80 80 ASN H H 80 8.893 8.893 9.525 -0.632 25703 2703 1 5 . 1 1 81 81 GLY N N 81 103.991 103.991 103.529 0.462 25703 2704 1 5 . 1 1 81 81 GLY C C 81 172.724 172.724 174.644 -1.920 25703 2705 1 5 . 1 1 81 81 GLY CA C 81 46.145 46.145 46.386 -0.241 25703 2706 1 5 . 1 1 81 81 GLY H H 81 8.639 8.639 8.808 -0.169 25703 2707 1 5 . 1 1 82 82 LYS N N 82 120.266 120.266 120.045 0.221 25703 2708 1 5 . 1 1 82 82 LYS HA H 82 4.937 4.937 4.722 0.215 25703 2709 1 5 . 1 1 82 82 LYS C C 82 174.364 174.364 176.627 -2.263 25703 2710 1 5 . 1 1 82 82 LYS CA C 82 55.602 55.602 56.742 -1.140 25703 2711 1 5 . 1 1 82 82 LYS CB C 82 35.830 35.830 34.123 1.707 25703 2712 1 5 . 1 1 82 82 LYS H H 82 7.576 7.576 8.298 -0.722 25703 2713 1 5 . 1 1 83 83 GLU N N 83 126.445 126.445 115.023 11.422 25703 2714 1 5 . 1 1 83 83 GLU HA H 83 3.867 3.867 4.187 -0.320 25703 2715 1 5 . 1 1 83 83 GLU C C 83 176.728 176.728 174.181 2.547 25703 2716 1 5 . 1 1 83 83 GLU CA C 83 57.345 57.345 56.351 0.994 25703 2717 1 5 . 1 1 83 83 GLU CB C 83 30.927 30.927 30.201 0.726 25703 2718 1 5 . 1 1 83 83 GLU H H 83 8.819 8.819 7.981 0.838 25703 2719 1 5 . 1 1 84 84 VAL N N 84 123.147 123.147 117.950 5.197 25703 2720 1 5 . 1 1 84 84 VAL HA H 84 4.417 4.417 4.234 0.183 25703 2721 1 5 . 1 1 84 84 VAL C C 84 175.128 175.128 173.759 1.369 25703 2722 1 5 . 1 1 84 84 VAL CA C 84 61.453 61.453 62.115 -0.662 25703 2723 1 5 . 1 1 84 84 VAL CB C 84 33.692 33.692 35.031 -1.339 25703 2724 1 5 . 1 1 84 84 VAL H H 84 9.258 9.258 8.188 1.070 25703 2725 1 5 . 1 1 85 85 ALA N N 85 122.281 122.281 120.443 1.838 25703 2726 1 5 . 1 1 85 85 ALA HA H 85 4.414 4.414 4.637 -0.223 25703 2727 1 5 . 1 1 85 85 ALA C C 85 173.291 173.291 174.366 -1.075 25703 2728 1 5 . 1 1 85 85 ALA CA C 85 53.133 53.133 51.666 1.467 25703 2729 1 5 . 1 1 85 85 ALA CB C 85 22.544 22.544 21.256 1.288 25703 2730 1 5 . 1 1 85 85 ALA H H 85 7.573 7.573 7.585 -0.012 25703 2731 1 5 . 1 1 86 86 LYS N N 86 120.704 120.704 120.978 -0.274 25703 2732 1 5 . 1 1 86 86 LYS HA H 86 4.933 4.933 4.752 0.181 25703 2733 1 5 . 1 1 86 86 LYS C C 86 174.506 174.506 174.500 0.006 25703 2734 1 5 . 1 1 86 86 LYS CA C 86 55.860 55.860 55.918 -0.058 25703 2735 1 5 . 1 1 86 86 LYS CB C 86 35.979 35.979 35.185 0.794 25703 2736 1 5 . 1 1 86 86 LYS H H 86 8.014 8.014 8.352 -0.338 25703 2737 1 5 . 1 1 87 87 VAL N N 87 126.817 126.817 126.902 -0.085 25703 2738 1 5 . 1 1 87 87 VAL HA H 87 4.276 4.276 4.478 -0.202 25703 2739 1 5 . 1 1 87 87 VAL C C 87 174.002 174.002 174.191 -0.189 25703 2740 1 5 . 1 1 87 87 VAL CA C 87 62.070 62.070 60.041 2.029 25703 2741 1 5 . 1 1 87 87 VAL CB C 87 34.958 34.958 34.678 0.280 25703 2742 1 5 . 1 1 87 87 VAL H H 87 9.186 9.186 9.258 -0.072 25703 2743 1 5 . 1 1 88 88 VAL N N 88 129.683 129.683 125.786 3.897 25703 2744 1 5 . 1 1 88 88 VAL HA H 88 4.446 4.446 4.393 0.053 25703 2745 1 5 . 1 1 88 88 VAL C C 88 175.594 175.594 175.434 0.160 25703 2746 1 5 . 1 1 88 88 VAL CA C 88 62.462 62.462 61.580 0.882 25703 2747 1 5 . 1 1 88 88 VAL CB C 88 33.275 33.275 31.435 1.840 25703 2748 1 5 . 1 1 88 88 VAL H H 88 9.026 9.026 8.569 0.457 25703 2749 1 5 . 1 1 89 89 GLY N N 89 114.918 114.918 112.978 1.940 25703 2750 1 5 . 1 1 89 89 GLY CA C 89 44.014 44.014 45.476 -1.462 25703 2751 1 5 . 1 1 89 89 GLY H H 89 8.298 8.298 7.633 0.665 25703 2752 1 5 . 1 1 90 90 ALA HA H 90 4.227 4.227 4.230 -0.003 25703 2753 1 5 . 1 1 90 90 ALA C C 90 174.279 174.279 176.754 -2.475 25703 2754 1 5 . 1 1 90 90 ALA CA C 90 50.915 50.915 52.123 -1.208 25703 2755 1 5 . 1 1 90 90 ALA CB C 90 18.480 18.480 17.807 0.673 25703 2756 1 5 . 1 1 91 91 ASN N N 91 121.022 121.022 121.703 -0.681 25703 2757 1 5 . 1 1 91 91 ASN HA H 91 5.114 5.114 5.051 0.063 25703 2758 1 5 . 1 1 91 91 ASN CA C 91 50.500 50.500 50.490 0.010 25703 2759 1 5 . 1 1 91 91 ASN CB C 91 39.514 39.514 38.736 0.778 25703 2760 1 5 . 1 1 91 91 ASN H H 91 7.360 7.360 7.997 -0.637 25703 2761 1 5 . 1 1 92 92 PRO HA H 92 4.116 4.116 4.416 -0.300 25703 2762 1 5 . 1 1 92 92 PRO CA C 92 63.392 63.392 64.625 -1.233 25703 2763 1 5 . 1 1 93 93 ALA HA H 93 4.074 4.074 4.401 -0.327 25703 2764 1 5 . 1 1 93 93 ALA C C 93 179.673 179.673 179.077 0.596 25703 2765 1 5 . 1 1 93 93 ALA CA C 93 55.353 55.353 53.818 1.535 25703 2766 1 5 . 1 1 93 93 ALA CB C 93 18.455 18.455 18.485 -0.031 25703 2767 1 5 . 1 1 94 94 ALA N N 94 121.514 121.514 120.690 0.824 25703 2768 1 5 . 1 1 94 94 ALA HA H 94 4.064 4.064 4.208 -0.144 25703 2769 1 5 . 1 1 94 94 ALA C C 94 180.373 180.373 179.107 1.266 25703 2770 1 5 . 1 1 94 94 ALA CA C 94 55.418 55.418 53.992 1.426 25703 2771 1 5 . 1 1 94 94 ALA CB C 94 19.268 19.268 18.361 0.907 25703 2772 1 5 . 1 1 94 94 ALA H H 94 7.228 7.228 8.116 -0.888 25703 2773 1 5 . 1 1 95 95 ILE N N 95 120.330 120.330 119.711 0.619 25703 2774 1 5 . 1 1 95 95 ILE HA H 95 3.358 3.358 3.810 -0.452 25703 2775 1 5 . 1 1 95 95 ILE C C 95 175.639 175.639 176.898 -1.259 25703 2776 1 5 . 1 1 95 95 ILE CA C 95 66.564 66.564 63.129 3.435 25703 2777 1 5 . 1 1 95 95 ILE CB C 95 38.854 38.854 38.283 0.571 25703 2778 1 5 . 1 1 95 95 ILE H H 95 7.738 7.738 7.754 -0.016 25703 2779 1 5 . 1 1 96 96 LYS N N 96 119.846 119.846 118.488 1.358 25703 2780 1 5 . 1 1 96 96 LYS HA H 96 3.144 3.144 3.880 -0.736 25703 2781 1 5 . 1 1 96 96 LYS C C 96 177.288 177.288 179.249 -1.961 25703 2782 1 5 . 1 1 96 96 LYS CA C 96 60.420 60.420 59.067 1.353 25703 2783 1 5 . 1 1 96 96 LYS CB C 96 32.612 32.612 31.305 1.307 25703 2784 1 5 . 1 1 96 96 LYS H H 96 8.087 8.087 7.798 0.289 25703 2785 1 5 . 1 1 97 97 GLN N N 97 116.484 116.484 119.569 -3.085 25703 2786 1 5 . 1 1 97 97 GLN HA H 97 3.848 3.848 4.078 -0.230 25703 2787 1 5 . 1 1 97 97 GLN C C 97 177.461 177.461 178.103 -0.642 25703 2788 1 5 . 1 1 97 97 GLN CA C 97 59.069 59.069 58.971 0.098 25703 2789 1 5 . 1 1 97 97 GLN CB C 97 28.799 28.799 28.396 0.403 25703 2790 1 5 . 1 1 97 97 GLN H H 97 7.700 7.700 7.735 -0.035 25703 2791 1 5 . 1 1 98 98 ALA N N 98 121.852 121.852 121.321 0.531 25703 2792 1 5 . 1 1 98 98 ALA HA H 98 3.921 3.921 4.147 -0.226 25703 2793 1 5 . 1 1 98 98 ALA C C 98 174.452 174.452 179.854 -5.402 25703 2794 1 5 . 1 1 98 98 ALA CA C 98 55.207 55.207 54.648 0.559 25703 2795 1 5 . 1 1 98 98 ALA CB C 98 18.356 18.356 18.650 -0.294 25703 2796 1 5 . 1 1 98 98 ALA H H 98 7.456 7.456 7.598 -0.142 25703 2797 1 5 . 1 1 99 99 ILE N N 99 118.810 118.810 118.573 0.237 25703 2798 1 5 . 1 1 99 99 ILE HA H 99 3.037 3.037 3.860 -0.823 25703 2799 1 5 . 1 1 99 99 ILE C C 99 176.476 176.476 177.113 -0.637 25703 2800 1 5 . 1 1 99 99 ILE CA C 99 65.925 65.925 63.159 2.766 25703 2801 1 5 . 1 1 99 99 ILE CB C 99 38.622 38.622 37.259 1.363 25703 2802 1 5 . 1 1 99 99 ILE H H 99 7.692 7.692 8.590 -0.898 25703 2803 1 5 . 1 1 100 100 ALA N N 100 120.478 120.478 120.712 -0.234 25703 2804 1 5 . 1 1 100 100 ALA HA H 100 3.713 3.713 4.148 -0.435 25703 2805 1 5 . 1 1 100 100 ALA C C 100 179.910 179.910 178.391 1.519 25703 2806 1 5 . 1 1 100 100 ALA CA C 100 55.491 55.491 53.602 1.889 25703 2807 1 5 . 1 1 100 100 ALA CB C 100 18.656 18.656 19.477 -0.821 25703 2808 1 5 . 1 1 100 100 ALA H H 100 8.164 8.164 7.890 0.274 25703 2809 1 5 . 1 1 101 101 ALA N N 101 116.616 116.616 120.977 -4.361 25703 2810 1 5 . 1 1 101 101 ALA HA H 101 4.084 4.084 4.052 0.032 25703 2811 1 5 . 1 1 101 101 ALA C C 101 177.705 177.705 178.640 -0.935 25703 2812 1 5 . 1 1 101 101 ALA CA C 101 54.113 54.113 54.197 -0.084 25703 2813 1 5 . 1 1 101 101 ALA CB C 101 19.576 19.576 19.335 0.241 25703 2814 1 5 . 1 1 101 101 ALA H H 101 7.649 7.649 7.898 -0.249 25703 2815 1 5 . 1 1 102 102 ASN N N 102 114.293 114.293 115.928 -1.635 25703 2816 1 5 . 1 1 102 102 ASN HA H 102 4.753 4.753 4.736 0.017 25703 2817 1 5 . 1 1 102 102 ASN C C 102 172.210 172.210 175.904 -3.694 25703 2818 1 5 . 1 1 102 102 ASN CA C 102 54.809 54.809 52.959 1.850 25703 2819 1 5 . 1 1 102 102 ASN CB C 102 43.388 43.388 39.703 3.686 25703 2820 1 5 . 1 1 102 102 ASN H H 102 7.110 7.110 8.064 -0.954 25703 2821 1 6 . 1 1 2 2 VAL N N 2 125.982 125.982 123.798 2.184 25703 2822 1 6 . 1 1 2 2 VAL HA H 2 4.054 4.054 4.438 -0.384 25703 2823 1 6 . 1 1 2 2 VAL CA C 2 61.397 61.397 60.743 0.654 25703 2824 1 6 . 1 1 2 2 VAL CB C 2 32.844 32.844 33.431 -0.587 25703 2825 1 6 . 1 1 2 2 VAL H H 2 8.576 8.576 8.138 0.438 25703 2826 1 6 . 1 1 3 3 THR N N 3 126.926 126.926 122.237 4.689 25703 2827 1 6 . 1 1 3 3 THR HA H 3 4.120 4.120 4.539 -0.419 25703 2828 1 6 . 1 1 3 3 THR C C 3 172.671 172.671 173.328 -0.657 25703 2829 1 6 . 1 1 3 3 THR CA C 3 64.010 64.010 62.336 1.674 25703 2830 1 6 . 1 1 3 3 THR CB C 3 70.030 70.030 70.225 -0.195 25703 2831 1 6 . 1 1 3 3 THR H H 3 7.787 7.787 8.158 -0.371 25703 2832 1 6 . 1 1 4 4 GLN N N 4 128.743 128.743 122.205 6.538 25703 2833 1 6 . 1 1 4 4 GLN HA H 4 4.726 4.726 4.748 -0.022 25703 2834 1 6 . 1 1 4 4 GLN C C 4 176.254 176.254 174.811 1.443 25703 2835 1 6 . 1 1 4 4 GLN CA C 4 54.925 54.925 54.376 0.549 25703 2836 1 6 . 1 1 4 4 GLN CB C 4 30.039 30.039 30.363 -0.324 25703 2837 1 6 . 1 1 4 4 GLN H H 4 8.976 8.976 8.241 0.735 25703 2838 1 6 . 1 1 5 5 PHE N N 5 127.295 127.295 121.470 5.825 25703 2839 1 6 . 1 1 5 5 PHE HA H 5 4.793 4.793 4.690 0.103 25703 2840 1 6 . 1 1 5 5 PHE C C 5 175.627 175.627 176.664 -1.037 25703 2841 1 6 . 1 1 5 5 PHE CA C 5 59.080 59.080 55.777 3.303 25703 2842 1 6 . 1 1 5 5 PHE CB C 5 41.083 41.083 41.479 -0.396 25703 2843 1 6 . 1 1 5 5 PHE H H 5 8.434 8.434 8.443 -0.009 25703 2844 1 6 . 1 1 6 6 LYS N N 6 120.464 120.464 117.429 3.035 25703 2845 1 6 . 1 1 6 6 LYS HA H 6 4.623 4.623 4.512 0.111 25703 2846 1 6 . 1 1 6 6 LYS C C 6 176.504 176.504 175.477 1.027 25703 2847 1 6 . 1 1 6 6 LYS CA C 6 56.526 56.526 56.150 0.376 25703 2848 1 6 . 1 1 6 6 LYS CB C 6 34.660 34.660 34.273 0.387 25703 2849 1 6 . 1 1 6 6 LYS H H 6 9.821 9.821 8.560 1.261 25703 2850 1 6 . 1 1 7 7 THR N N 7 108.286 108.286 110.197 -1.911 25703 2851 1 6 . 1 1 7 7 THR HA H 7 4.738 4.738 4.642 0.096 25703 2852 1 6 . 1 1 7 7 THR C C 7 173.410 173.410 174.890 -1.480 25703 2853 1 6 . 1 1 7 7 THR CA C 7 59.287 59.287 60.351 -1.064 25703 2854 1 6 . 1 1 7 7 THR CB C 7 73.138 73.138 72.172 0.966 25703 2855 1 6 . 1 1 7 7 THR H H 7 7.467 7.467 7.456 0.011 25703 2856 1 6 . 1 1 8 8 ALA N N 8 125.007 125.007 126.521 -1.514 25703 2857 1 6 . 1 1 8 8 ALA HA H 8 3.705 3.705 4.118 -0.413 25703 2858 1 6 . 1 1 8 8 ALA C C 8 178.859 178.859 179.940 -1.081 25703 2859 1 6 . 1 1 8 8 ALA CA C 8 55.453 55.453 55.385 0.068 25703 2860 1 6 . 1 1 8 8 ALA CB C 8 18.689 18.689 18.405 0.283 25703 2861 1 6 . 1 1 8 8 ALA H H 8 9.038 9.038 8.874 0.164 25703 2862 1 6 . 1 1 9 9 SER N N 9 113.408 113.408 112.916 0.492 25703 2863 1 6 . 1 1 9 9 SER HA H 9 4.124 4.124 4.115 0.009 25703 2864 1 6 . 1 1 9 9 SER C C 9 176.575 176.575 176.525 0.050 25703 2865 1 6 . 1 1 9 9 SER CA C 9 61.528 61.528 61.408 0.120 25703 2866 1 6 . 1 1 9 9 SER CB C 9 62.703 62.703 62.625 0.078 25703 2867 1 6 . 1 1 9 9 SER H H 9 8.159 8.159 8.483 -0.324 25703 2868 1 6 . 1 1 10 10 GLU N N 10 123.005 123.005 121.615 1.390 25703 2869 1 6 . 1 1 10 10 GLU HA H 10 3.853 3.853 3.668 0.185 25703 2870 1 6 . 1 1 10 10 GLU C C 10 178.294 178.294 178.234 0.060 25703 2871 1 6 . 1 1 10 10 GLU CA C 10 59.266 59.266 58.843 0.423 25703 2872 1 6 . 1 1 10 10 GLU CB C 10 31.536 31.536 28.929 2.607 25703 2873 1 6 . 1 1 10 10 GLU H H 10 7.552 7.552 7.436 0.116 25703 2874 1 6 . 1 1 11 11 PHE N N 11 121.633 121.633 119.718 1.915 25703 2875 1 6 . 1 1 11 11 PHE HA H 11 2.864 2.864 3.794 -0.930 25703 2876 1 6 . 1 1 11 11 PHE C C 11 176.786 176.786 176.880 -0.094 25703 2877 1 6 . 1 1 11 11 PHE CA C 11 61.182 61.182 60.828 0.354 25703 2878 1 6 . 1 1 11 11 PHE CB C 11 38.202 38.202 39.178 -0.976 25703 2879 1 6 . 1 1 11 11 PHE H H 11 6.632 6.632 7.545 -0.913 25703 2880 1 6 . 1 1 12 12 ASP N N 12 118.991 118.991 119.353 -0.362 25703 2881 1 6 . 1 1 12 12 ASP HA H 12 3.841 3.841 3.736 0.105 25703 2882 1 6 . 1 1 12 12 ASP C C 12 178.286 178.286 178.355 -0.069 25703 2883 1 6 . 1 1 12 12 ASP CA C 12 57.547 57.547 57.569 -0.022 25703 2884 1 6 . 1 1 12 12 ASP CB C 12 40.790 40.790 40.637 0.153 25703 2885 1 6 . 1 1 12 12 ASP H H 12 7.687 7.687 8.521 -0.834 25703 2886 1 6 . 1 1 13 13 SER N N 13 112.966 112.966 115.450 -2.484 25703 2887 1 6 . 1 1 13 13 SER HA H 13 4.022 4.022 4.094 -0.072 25703 2888 1 6 . 1 1 13 13 SER C C 13 175.827 175.827 175.636 0.191 25703 2889 1 6 . 1 1 13 13 SER CA C 13 61.410 61.410 60.965 0.445 25703 2890 1 6 . 1 1 13 13 SER CB C 13 63.499 63.499 62.972 0.527 25703 2891 1 6 . 1 1 13 13 SER H H 13 7.563 7.563 7.886 -0.323 25703 2892 1 6 . 1 1 14 14 ALA N N 14 124.823 124.823 124.032 0.791 25703 2893 1 6 . 1 1 14 14 ALA HA H 14 4.025 4.025 3.955 0.070 25703 2894 1 6 . 1 1 14 14 ALA C C 14 179.909 179.909 179.162 0.747 25703 2895 1 6 . 1 1 14 14 ALA CA C 14 54.710 54.710 54.620 0.090 25703 2896 1 6 . 1 1 14 14 ALA CB C 14 19.286 19.286 18.573 0.713 25703 2897 1 6 . 1 1 14 14 ALA H H 14 7.671 7.671 7.182 0.489 25703 2898 1 6 . 1 1 15 15 ILE N N 15 108.002 108.002 114.902 -6.900 25703 2899 1 6 . 1 1 15 15 ILE HA H 15 3.721 3.721 3.732 -0.011 25703 2900 1 6 . 1 1 15 15 ILE C C 15 175.512 175.512 176.920 -1.408 25703 2901 1 6 . 1 1 15 15 ILE CA C 15 64.058 64.058 64.007 0.051 25703 2902 1 6 . 1 1 15 15 ILE CB C 15 38.277 38.277 37.073 1.204 25703 2903 1 6 . 1 1 15 15 ILE H H 15 7.195 7.195 7.907 -0.712 25703 2904 1 6 . 1 1 16 16 ALA N N 16 123.051 123.051 120.519 2.532 25703 2905 1 6 . 1 1 16 16 ALA HA H 16 4.013 4.013 4.261 -0.248 25703 2906 1 6 . 1 1 16 16 ALA C C 16 176.636 176.636 177.993 -1.357 25703 2907 1 6 . 1 1 16 16 ALA CA C 16 52.318 52.318 52.217 0.101 25703 2908 1 6 . 1 1 16 16 ALA CB C 16 18.956 18.956 18.443 0.513 25703 2909 1 6 . 1 1 16 16 ALA H H 16 6.623 6.623 7.440 -0.817 25703 2910 1 6 . 1 1 17 17 GLN N N 17 116.236 116.236 118.815 -2.579 25703 2911 1 6 . 1 1 17 17 GLN HA H 17 4.198 4.198 4.251 -0.053 25703 2912 1 6 . 1 1 17 17 GLN C C 17 174.965 174.965 174.939 0.026 25703 2913 1 6 . 1 1 17 17 GLN CA C 17 56.422 56.422 55.080 1.342 25703 2914 1 6 . 1 1 17 17 GLN CB C 17 34.338 34.338 29.475 4.863 25703 2915 1 6 . 1 1 17 17 GLN H H 17 7.140 7.140 7.565 -0.425 25703 2916 1 6 . 1 1 18 18 ASP N N 18 123.905 123.905 119.025 4.880 25703 2917 1 6 . 1 1 18 18 ASP HA H 18 4.998 4.998 4.836 0.162 25703 2918 1 6 . 1 1 18 18 ASP C C 18 174.817 174.817 175.128 -0.311 25703 2919 1 6 . 1 1 18 18 ASP CB C 18 39.414 39.414 40.637 -1.223 25703 2920 1 6 . 1 1 18 18 ASP H H 18 8.651 8.651 8.646 0.005 25703 2921 1 6 . 1 1 19 19 LYS N N 19 119.499 119.499 114.850 4.649 25703 2922 1 6 . 1 1 19 19 LYS HA H 19 4.384 4.384 4.567 -0.183 25703 2923 1 6 . 1 1 19 19 LYS C C 19 172.740 172.740 174.856 -2.116 25703 2924 1 6 . 1 1 19 19 LYS CA C 19 55.163 55.163 53.732 1.431 25703 2925 1 6 . 1 1 19 19 LYS CB C 19 34.721 34.721 35.682 -0.961 25703 2926 1 6 . 1 1 19 19 LYS H H 19 7.950 7.950 7.300 0.650 25703 2927 1 6 . 1 1 20 20 LEU N N 20 121.877 121.877 123.965 -2.088 25703 2928 1 6 . 1 1 20 20 LEU HA H 20 4.972 4.972 4.948 0.024 25703 2929 1 6 . 1 1 20 20 LEU C C 20 173.937 173.937 175.066 -1.129 25703 2930 1 6 . 1 1 20 20 LEU CA C 20 57.132 57.132 54.223 2.909 25703 2931 1 6 . 1 1 20 20 LEU CB C 20 42.012 42.012 41.872 0.140 25703 2932 1 6 . 1 1 20 20 LEU H H 20 8.641 8.641 8.359 0.282 25703 2933 1 6 . 1 1 21 21 VAL N N 21 129.812 129.812 129.247 0.565 25703 2934 1 6 . 1 1 21 21 VAL HA H 21 4.439 4.439 4.679 -0.240 25703 2935 1 6 . 1 1 21 21 VAL C C 21 173.493 173.493 174.708 -1.215 25703 2936 1 6 . 1 1 21 21 VAL CA C 21 62.510 62.510 61.801 0.709 25703 2937 1 6 . 1 1 21 21 VAL CB C 21 34.732 34.732 33.247 1.485 25703 2938 1 6 . 1 1 21 21 VAL H H 21 9.263 9.263 9.208 0.055 25703 2939 1 6 . 1 1 22 22 VAL N N 22 131.684 131.684 129.794 1.890 25703 2940 1 6 . 1 1 22 22 VAL HA H 22 4.408 4.408 4.968 -0.560 25703 2941 1 6 . 1 1 22 22 VAL C C 22 174.331 174.331 174.192 0.139 25703 2942 1 6 . 1 1 22 22 VAL CA C 22 61.561 61.561 60.404 1.157 25703 2943 1 6 . 1 1 22 22 VAL CB C 22 33.630 33.630 33.212 0.419 25703 2944 1 6 . 1 1 22 22 VAL H H 22 9.006 9.006 8.941 0.065 25703 2945 1 6 . 1 1 23 23 VAL N N 23 126.475 126.475 131.294 -4.819 25703 2946 1 6 . 1 1 23 23 VAL HA H 23 4.422 4.422 5.223 -0.801 25703 2947 1 6 . 1 1 23 23 VAL C C 23 174.342 174.342 174.291 0.051 25703 2948 1 6 . 1 1 23 23 VAL CA C 23 61.672 61.672 60.247 1.425 25703 2949 1 6 . 1 1 23 23 VAL CB C 23 34.042 34.042 34.321 -0.279 25703 2950 1 6 . 1 1 23 23 VAL H H 23 9.551 9.551 8.740 0.811 25703 2951 1 6 . 1 1 24 24 ALA N N 24 131.649 131.649 128.545 3.104 25703 2952 1 6 . 1 1 24 24 ALA HA H 24 4.953 4.953 5.534 -0.581 25703 2953 1 6 . 1 1 24 24 ALA C C 24 174.683 174.683 175.885 -1.202 25703 2954 1 6 . 1 1 24 24 ALA CA C 24 51.712 51.712 49.432 2.280 25703 2955 1 6 . 1 1 24 24 ALA CB C 24 20.149 20.149 23.110 -2.961 25703 2956 1 6 . 1 1 24 24 ALA H H 24 8.991 8.991 8.734 0.257 25703 2957 1 6 . 1 1 25 25 PHE N N 25 124.535 124.535 122.324 2.211 25703 2958 1 6 . 1 1 25 25 PHE HA H 25 5.002 5.002 5.038 -0.036 25703 2959 1 6 . 1 1 25 25 PHE C C 25 174.231 174.231 174.602 -0.371 25703 2960 1 6 . 1 1 25 25 PHE CA C 25 58.196 58.196 58.178 0.018 25703 2961 1 6 . 1 1 25 25 PHE CB C 25 40.231 40.231 39.636 0.595 25703 2962 1 6 . 1 1 25 25 PHE H H 25 9.231 9.231 8.200 1.031 25703 2963 1 6 . 1 1 26 26 TYR N N 26 121.986 121.986 121.922 0.064 25703 2964 1 6 . 1 1 26 26 TYR HA H 26 5.112 5.112 4.767 0.345 25703 2965 1 6 . 1 1 26 26 TYR C C 26 170.727 170.727 174.849 -4.122 25703 2966 1 6 . 1 1 26 26 TYR CA C 26 55.240 55.240 55.533 -0.293 25703 2967 1 6 . 1 1 26 26 TYR CB C 26 43.023 43.023 42.833 0.190 25703 2968 1 6 . 1 1 26 26 TYR H H 26 8.869 8.869 8.538 0.331 25703 2969 1 6 . 1 1 27 27 ALA N N 27 117.474 117.474 118.985 -1.511 25703 2970 1 6 . 1 1 27 27 ALA HA H 27 4.329 4.329 4.570 -0.241 25703 2971 1 6 . 1 1 27 27 ALA C C 27 178.755 178.755 176.319 2.436 25703 2972 1 6 . 1 1 27 27 ALA CA C 27 50.966 50.966 51.333 -0.367 25703 2973 1 6 . 1 1 27 27 ALA CB C 27 22.735 22.735 19.944 2.791 25703 2974 1 6 . 1 1 27 27 ALA H H 27 6.235 6.235 8.284 -2.049 25703 2975 1 6 . 1 1 28 28 THR N N 28 119.624 119.624 112.985 6.639 25703 2976 1 6 . 1 1 28 28 THR HA H 28 3.907 3.907 4.073 -0.166 25703 2977 1 6 . 1 1 28 28 THR C C 28 174.360 174.360 175.142 -0.782 25703 2978 1 6 . 1 1 28 28 THR CA C 28 65.865 65.865 64.202 1.663 25703 2979 1 6 . 1 1 28 28 THR CB C 28 69.336 69.336 68.978 0.358 25703 2980 1 6 . 1 1 28 28 THR H H 28 10.381 10.381 8.252 2.129 25703 2981 1 6 . 1 1 29 29 TRP N N 29 115.983 115.983 119.929 -3.946 25703 2982 1 6 . 1 1 29 29 TRP HA H 29 4.590 4.590 4.778 -0.188 25703 2983 1 6 . 1 1 29 29 TRP CA C 29 53.924 53.924 55.201 -1.277 25703 2984 1 6 . 1 1 29 29 TRP CB C 29 29.460 29.460 29.587 -0.127 25703 2985 1 6 . 1 1 29 29 TRP H H 29 6.472 6.472 6.645 -0.173 25703 2986 1 6 . 1 1 30 30 CYS HA H 30 3.857 3.857 4.373 -0.516 25703 2987 1 6 . 1 1 30 30 CYS CA C 30 58.536 58.536 58.386 0.149 25703 2988 1 6 . 1 1 30 30 CYS CB C 30 37.005 37.005 26.349 10.656 25703 2989 1 6 . 1 1 31 31 GLY CA C 31 48.989 48.989 47.467 1.522 25703 2990 1 6 . 1 1 32 32 PRO HA H 32 4.398 4.398 4.296 0.102 25703 2991 1 6 . 1 1 32 32 PRO C C 32 177.189 177.189 178.559 -1.370 25703 2992 1 6 . 1 1 32 32 PRO CA C 32 65.366 65.366 64.924 0.442 25703 2993 1 6 . 1 1 32 32 PRO CB C 32 32.289 32.289 31.162 1.127 25703 2994 1 6 . 1 1 33 33 CYS N N 33 111.468 111.468 113.563 -2.095 25703 2995 1 6 . 1 1 33 33 CYS HA H 33 4.223 4.223 3.589 0.634 25703 2996 1 6 . 1 1 33 33 CYS CA C 33 65.801 65.801 62.102 3.699 25703 2997 1 6 . 1 1 33 33 CYS CB C 33 34.949 34.949 26.124 8.825 25703 2998 1 6 . 1 1 33 33 CYS H H 33 7.991 7.991 8.113 -0.122 25703 2999 1 6 . 1 1 34 34 LYS HA H 34 3.968 3.968 3.895 0.073 25703 3000 1 6 . 1 1 34 34 LYS C C 34 178.052 178.052 178.518 -0.466 25703 3001 1 6 . 1 1 34 34 LYS CA C 34 59.661 59.661 59.123 0.538 25703 3002 1 6 . 1 1 34 34 LYS CB C 34 32.513 32.513 32.229 0.284 25703 3003 1 6 . 1 1 35 35 MET N N 35 117.236 117.236 115.714 1.522 25703 3004 1 6 . 1 1 35 35 MET HA H 35 4.194 4.194 4.225 -0.031 25703 3005 1 6 . 1 1 35 35 MET C C 35 177.451 177.451 178.315 -0.864 25703 3006 1 6 . 1 1 35 35 MET CA C 35 57.938 57.938 58.183 -0.245 25703 3007 1 6 . 1 1 35 35 MET CB C 35 32.628 32.628 33.215 -0.587 25703 3008 1 6 . 1 1 35 35 MET H H 35 7.326 7.326 7.582 -0.256 25703 3009 1 6 . 1 1 36 36 ILE N N 36 113.758 113.758 119.308 -5.550 25703 3010 1 6 . 1 1 36 36 ILE HA H 36 4.345 4.345 3.851 0.494 25703 3011 1 6 . 1 1 36 36 ILE C C 36 176.183 176.183 176.625 -0.442 25703 3012 1 6 . 1 1 36 36 ILE CA C 36 60.656 60.656 62.820 -2.164 25703 3013 1 6 . 1 1 36 36 ILE CB C 36 39.657 39.657 37.349 2.308 25703 3014 1 6 . 1 1 36 36 ILE H H 36 7.315 7.315 7.961 -0.646 25703 3015 1 6 . 1 1 37 37 ALA N N 37 126.738 126.738 125.113 1.625 25703 3016 1 6 . 1 1 37 37 ALA HA H 37 4.095 4.095 4.394 -0.299 25703 3017 1 6 . 1 1 37 37 ALA CA C 37 57.562 57.562 56.146 1.416 25703 3018 1 6 . 1 1 37 37 ALA CB C 37 15.912 15.912 16.417 -0.505 25703 3019 1 6 . 1 1 37 37 ALA H H 37 7.447 7.447 7.809 -0.362 25703 3020 1 6 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.228 0.042 25703 3021 1 6 . 1 1 38 38 PRO C C 38 178.922 178.922 178.454 0.468 25703 3022 1 6 . 1 1 38 38 PRO CA C 38 65.743 65.743 65.412 0.331 25703 3023 1 6 . 1 1 38 38 PRO CB C 38 31.224 31.224 31.330 -0.106 25703 3024 1 6 . 1 1 39 39 MET N N 39 118.310 118.310 117.559 0.751 25703 3025 1 6 . 1 1 39 39 MET HA H 39 3.859 3.859 3.887 -0.028 25703 3026 1 6 . 1 1 39 39 MET C C 39 174.441 174.441 178.340 -3.899 25703 3027 1 6 . 1 1 39 39 MET CA C 39 58.390 58.390 57.269 1.121 25703 3028 1 6 . 1 1 39 39 MET CB C 39 31.394 31.394 31.152 0.242 25703 3029 1 6 . 1 1 39 39 MET H H 39 7.063 7.063 7.210 -0.147 25703 3030 1 6 . 1 1 40 40 ILE N N 40 119.013 119.013 119.718 -0.705 25703 3031 1 6 . 1 1 40 40 ILE HA H 40 3.595 3.595 3.170 0.425 25703 3032 1 6 . 1 1 40 40 ILE C C 40 177.267 177.267 177.207 0.060 25703 3033 1 6 . 1 1 40 40 ILE CA C 40 64.393 64.393 64.912 -0.519 25703 3034 1 6 . 1 1 40 40 ILE CB C 40 36.259 36.259 37.293 -1.034 25703 3035 1 6 . 1 1 40 40 ILE H H 40 7.752 7.752 8.715 -0.963 25703 3036 1 6 . 1 1 41 41 GLU N N 41 119.530 119.530 119.646 -0.116 25703 3037 1 6 . 1 1 41 41 GLU HA H 41 3.572 3.572 3.748 -0.176 25703 3038 1 6 . 1 1 41 41 GLU C C 41 179.597 179.597 179.066 0.531 25703 3039 1 6 . 1 1 41 41 GLU CA C 41 59.878 59.878 59.296 0.582 25703 3040 1 6 . 1 1 41 41 GLU CB C 41 29.900 29.900 29.349 0.551 25703 3041 1 6 . 1 1 41 41 GLU H H 41 7.442 7.442 7.401 0.041 25703 3042 1 6 . 1 1 42 42 LYS N N 42 122.053 122.053 120.808 1.245 25703 3043 1 6 . 1 1 42 42 LYS HA H 42 3.932 3.932 4.043 -0.111 25703 3044 1 6 . 1 1 42 42 LYS C C 42 179.390 179.390 179.262 0.128 25703 3045 1 6 . 1 1 42 42 LYS CA C 42 59.532 59.532 59.427 0.105 25703 3046 1 6 . 1 1 42 42 LYS CB C 42 31.281 31.281 32.150 -0.869 25703 3047 1 6 . 1 1 42 42 LYS H H 42 7.428 7.428 7.716 -0.288 25703 3048 1 6 . 1 1 43 43 PHE N N 43 120.250 120.250 117.103 3.147 25703 3049 1 6 . 1 1 43 43 PHE HA H 43 4.639 4.639 4.380 0.259 25703 3050 1 6 . 1 1 43 43 PHE C C 43 177.337 177.337 176.282 1.055 25703 3051 1 6 . 1 1 43 43 PHE CA C 43 59.331 59.331 58.997 0.334 25703 3052 1 6 . 1 1 43 43 PHE CB C 43 37.737 37.737 38.133 -0.396 25703 3053 1 6 . 1 1 43 43 PHE H H 43 8.337 8.337 8.098 0.239 25703 3054 1 6 . 1 1 44 44 SER N N 44 117.203 117.203 113.894 3.309 25703 3055 1 6 . 1 1 44 44 SER HA H 44 2.967 2.967 2.889 0.078 25703 3056 1 6 . 1 1 44 44 SER C C 44 174.934 174.934 175.024 -0.090 25703 3057 1 6 . 1 1 44 44 SER CA C 44 61.159 61.159 59.053 2.106 25703 3058 1 6 . 1 1 44 44 SER CB C 44 62.353 62.353 63.672 -1.319 25703 3059 1 6 . 1 1 44 44 SER H H 44 7.754 7.754 7.788 -0.034 25703 3060 1 6 . 1 1 45 45 GLU N N 45 121.664 121.664 120.505 1.159 25703 3061 1 6 . 1 1 45 45 GLU HA H 45 4.049 4.049 4.345 -0.296 25703 3062 1 6 . 1 1 45 45 GLU C C 45 177.360 177.360 177.119 0.241 25703 3063 1 6 . 1 1 45 45 GLU CA C 45 57.739 57.739 57.341 0.398 25703 3064 1 6 . 1 1 45 45 GLU CB C 45 30.191 30.191 30.188 0.003 25703 3065 1 6 . 1 1 45 45 GLU H H 45 6.884 6.884 7.923 -1.039 25703 3066 1 6 . 1 1 46 46 GLN N N 46 118.766 118.766 117.637 1.129 25703 3067 1 6 . 1 1 46 46 GLN HA H 46 3.948 3.948 4.481 -0.533 25703 3068 1 6 . 1 1 46 46 GLN C C 46 177.431 177.431 174.675 2.756 25703 3069 1 6 . 1 1 46 46 GLN CA C 46 58.372 58.372 55.242 3.130 25703 3070 1 6 . 1 1 46 46 GLN CB C 46 30.160 30.160 29.599 0.561 25703 3071 1 6 . 1 1 46 46 GLN H H 46 7.551 7.551 7.494 0.057 25703 3072 1 6 . 1 1 47 47 TYR N N 47 117.012 117.012 117.993 -0.981 25703 3073 1 6 . 1 1 47 47 TYR HA H 47 4.971 4.971 4.957 0.014 25703 3074 1 6 . 1 1 47 47 TYR CA C 47 56.523 56.523 52.440 4.083 25703 3075 1 6 . 1 1 47 47 TYR CB C 47 38.479 38.479 36.961 1.518 25703 3076 1 6 . 1 1 47 47 TYR H H 47 7.426 7.426 8.082 -0.656 25703 3077 1 6 . 1 1 48 48 PRO HA H 48 4.388 4.388 4.290 0.098 25703 3078 1 6 . 1 1 48 48 PRO C C 48 176.927 176.927 177.382 -0.455 25703 3079 1 6 . 1 1 48 48 PRO CA C 48 65.425 65.425 64.405 1.020 25703 3080 1 6 . 1 1 48 48 PRO CB C 48 32.619 32.619 32.001 0.619 25703 3081 1 6 . 1 1 49 49 GLN N N 49 120.194 120.194 116.746 3.448 25703 3082 1 6 . 1 1 49 49 GLN HA H 49 4.369 4.369 4.261 0.108 25703 3083 1 6 . 1 1 49 49 GLN C C 49 174.438 174.438 174.228 0.210 25703 3084 1 6 . 1 1 49 49 GLN CA C 49 56.832 56.832 55.731 1.101 25703 3085 1 6 . 1 1 49 49 GLN CB C 49 28.164 28.164 28.936 -0.772 25703 3086 1 6 . 1 1 49 49 GLN H H 49 9.624 9.624 8.557 1.067 25703 3087 1 6 . 1 1 50 50 ALA N N 50 128.180 128.180 119.091 9.089 25703 3088 1 6 . 1 1 50 50 ALA HA H 50 5.048 5.048 4.462 0.586 25703 3089 1 6 . 1 1 50 50 ALA C C 50 174.685 174.685 175.414 -0.729 25703 3090 1 6 . 1 1 50 50 ALA CA C 50 50.518 50.518 50.045 0.473 25703 3091 1 6 . 1 1 50 50 ALA CB C 50 22.754 22.754 20.705 2.049 25703 3092 1 6 . 1 1 50 50 ALA H H 50 8.179 8.179 7.258 0.921 25703 3093 1 6 . 1 1 51 51 ASP N N 51 121.032 121.032 120.145 0.887 25703 3094 1 6 . 1 1 51 51 ASP HA H 51 5.102 5.102 4.415 0.687 25703 3095 1 6 . 1 1 51 51 ASP C C 51 174.171 174.171 174.111 0.060 25703 3096 1 6 . 1 1 51 51 ASP CA C 51 53.515 53.515 52.933 0.582 25703 3097 1 6 . 1 1 51 51 ASP CB C 51 44.782 44.782 43.764 1.018 25703 3098 1 6 . 1 1 51 51 ASP H H 51 8.435 8.435 8.261 0.174 25703 3099 1 6 . 1 1 52 52 PHE N N 52 121.696 121.696 123.724 -2.028 25703 3100 1 6 . 1 1 52 52 PHE HA H 52 5.172 5.172 4.825 0.347 25703 3101 1 6 . 1 1 52 52 PHE C C 52 174.110 174.110 174.551 -0.441 25703 3102 1 6 . 1 1 52 52 PHE CA C 52 57.189 57.189 57.194 -0.005 25703 3103 1 6 . 1 1 52 52 PHE CB C 52 42.291 42.291 39.960 2.331 25703 3104 1 6 . 1 1 52 52 PHE H H 52 8.983 8.983 8.609 0.374 25703 3105 1 6 . 1 1 53 53 TYR N N 53 122.042 122.042 122.751 -0.709 25703 3106 1 6 . 1 1 53 53 TYR HA H 53 5.495 5.495 5.038 0.457 25703 3107 1 6 . 1 1 53 53 TYR C C 53 174.002 174.002 174.918 -0.916 25703 3108 1 6 . 1 1 53 53 TYR CA C 53 56.214 56.214 56.208 0.006 25703 3109 1 6 . 1 1 53 53 TYR CB C 53 46.407 46.407 41.487 4.920 25703 3110 1 6 . 1 1 53 53 TYR H H 53 9.362 9.362 9.341 0.021 25703 3111 1 6 . 1 1 54 54 LYS N N 54 116.808 116.808 122.725 -5.917 25703 3112 1 6 . 1 1 54 54 LYS HA H 54 5.505 5.505 4.662 0.843 25703 3113 1 6 . 1 1 54 54 LYS C C 54 172.792 172.792 175.060 -2.268 25703 3114 1 6 . 1 1 54 54 LYS CA C 54 53.943 53.943 54.275 -0.332 25703 3115 1 6 . 1 1 54 54 LYS CB C 54 36.950 36.950 32.884 4.066 25703 3116 1 6 . 1 1 54 54 LYS H H 54 8.463 8.463 8.848 -0.385 25703 3117 1 6 . 1 1 55 55 LEU N N 55 123.826 123.826 123.170 0.656 25703 3118 1 6 . 1 1 55 55 LEU HA H 55 4.472 4.472 4.559 -0.087 25703 3119 1 6 . 1 1 55 55 LEU C C 55 171.652 171.652 175.872 -4.220 25703 3120 1 6 . 1 1 55 55 LEU CA C 55 55.906 55.906 53.273 2.633 25703 3121 1 6 . 1 1 55 55 LEU CB C 55 46.528 46.528 43.783 2.745 25703 3122 1 6 . 1 1 55 55 LEU H H 55 8.688 8.688 9.095 -0.407 25703 3123 1 6 . 1 1 56 56 ASP N N 56 127.169 127.169 119.212 7.957 25703 3124 1 6 . 1 1 56 56 ASP HA H 56 4.130 4.130 5.016 -0.886 25703 3125 1 6 . 1 1 56 56 ASP C C 56 177.692 177.692 175.815 1.877 25703 3126 1 6 . 1 1 56 56 ASP CA C 56 54.074 54.074 53.145 0.929 25703 3127 1 6 . 1 1 56 56 ASP CB C 56 41.388 41.388 43.701 -2.313 25703 3128 1 6 . 1 1 56 56 ASP H H 56 8.595 8.595 8.602 -0.007 25703 3129 1 6 . 1 1 57 57 VAL N N 57 123.562 123.562 126.807 -3.245 25703 3130 1 6 . 1 1 57 57 VAL HA H 57 3.491 3.491 4.075 -0.584 25703 3131 1 6 . 1 1 57 57 VAL C C 57 175.413 175.413 176.158 -0.745 25703 3132 1 6 . 1 1 57 57 VAL CA C 57 65.095 65.095 64.072 1.023 25703 3133 1 6 . 1 1 57 57 VAL CB C 57 31.658 31.658 31.817 -0.159 25703 3134 1 6 . 1 1 57 57 VAL H H 57 8.712 8.712 8.990 -0.278 25703 3135 1 6 . 1 1 58 58 ASP N N 58 120.070 120.070 118.803 1.267 25703 3136 1 6 . 1 1 58 58 ASP HA H 58 4.827 4.827 4.499 0.328 25703 3137 1 6 . 1 1 58 58 ASP C C 58 177.131 177.131 178.119 -0.988 25703 3138 1 6 . 1 1 58 58 ASP CA C 58 57.693 57.693 56.615 1.078 25703 3139 1 6 . 1 1 58 58 ASP CB C 58 40.827 40.827 41.414 -0.587 25703 3140 1 6 . 1 1 58 58 ASP H H 58 8.670 8.670 7.894 0.776 25703 3141 1 6 . 1 1 59 59 GLU N N 59 120.889 120.889 118.467 2.422 25703 3142 1 6 . 1 1 59 59 GLU HA H 59 4.358 4.358 4.334 0.024 25703 3143 1 6 . 1 1 59 59 GLU C C 59 176.606 176.606 177.491 -0.885 25703 3144 1 6 . 1 1 59 59 GLU CA C 59 57.881 57.881 57.434 0.447 25703 3145 1 6 . 1 1 59 59 GLU CB C 59 32.138 32.138 30.730 1.407 25703 3146 1 6 . 1 1 59 59 GLU H H 59 7.616 7.616 7.755 -0.139 25703 3147 1 6 . 1 1 60 60 LEU N N 60 122.457 122.457 120.983 1.474 25703 3148 1 6 . 1 1 60 60 LEU HA H 60 4.916 4.916 4.708 0.208 25703 3149 1 6 . 1 1 60 60 LEU C C 60 176.538 176.538 177.153 -0.615 25703 3150 1 6 . 1 1 60 60 LEU CA C 60 52.864 52.864 53.426 -0.562 25703 3151 1 6 . 1 1 60 60 LEU CB C 60 42.270 42.270 41.907 0.362 25703 3152 1 6 . 1 1 60 60 LEU H H 60 7.690 7.690 8.104 -0.414 25703 3153 1 6 . 1 1 61 61 GLY N N 61 112.065 112.065 109.361 2.704 25703 3154 1 6 . 1 1 61 61 GLY C C 61 175.917 175.917 175.245 0.672 25703 3155 1 6 . 1 1 61 61 GLY CA C 61 48.760 48.760 46.862 1.898 25703 3156 1 6 . 1 1 61 61 GLY H H 61 8.267 8.267 8.463 -0.196 25703 3157 1 6 . 1 1 62 62 ASP N N 62 120.904 120.904 120.311 0.593 25703 3158 1 6 . 1 1 62 62 ASP HA H 62 4.302 4.302 4.373 -0.071 25703 3159 1 6 . 1 1 62 62 ASP C C 62 178.355 178.355 177.919 0.436 25703 3160 1 6 . 1 1 62 62 ASP CA C 62 57.045 57.045 57.040 0.005 25703 3161 1 6 . 1 1 62 62 ASP CB C 62 39.646 39.646 40.726 -1.080 25703 3162 1 6 . 1 1 62 62 ASP H H 62 9.155 9.155 8.129 1.026 25703 3163 1 6 . 1 1 63 63 VAL N N 63 121.465 121.465 119.245 2.220 25703 3164 1 6 . 1 1 63 63 VAL HA H 63 3.310 3.310 3.739 -0.429 25703 3165 1 6 . 1 1 63 63 VAL C C 63 178.724 178.724 176.781 1.943 25703 3166 1 6 . 1 1 63 63 VAL CA C 63 65.878 65.878 65.353 0.525 25703 3167 1 6 . 1 1 63 63 VAL CB C 63 31.718 31.718 31.866 -0.148 25703 3168 1 6 . 1 1 63 63 VAL H H 63 7.263 7.263 7.765 -0.502 25703 3169 1 6 . 1 1 64 64 ALA N N 64 123.341 123.341 120.799 2.542 25703 3170 1 6 . 1 1 64 64 ALA HA H 64 3.774 3.774 3.061 0.713 25703 3171 1 6 . 1 1 64 64 ALA C C 64 177.984 177.984 179.482 -1.498 25703 3172 1 6 . 1 1 64 64 ALA CA C 64 56.326 56.326 54.645 1.681 25703 3173 1 6 . 1 1 64 64 ALA CB C 64 18.296 18.296 17.524 0.772 25703 3174 1 6 . 1 1 64 64 ALA H H 64 7.248 7.248 7.305 -0.057 25703 3175 1 6 . 1 1 65 65 GLN N N 65 118.749 118.749 117.262 1.487 25703 3176 1 6 . 1 1 65 65 GLN HA H 65 4.013 4.013 4.016 -0.003 25703 3177 1 6 . 1 1 65 65 GLN CA C 65 59.524 59.524 58.316 1.208 25703 3178 1 6 . 1 1 65 65 GLN CB C 65 28.802 28.802 28.675 0.127 25703 3179 1 6 . 1 1 65 65 GLN H H 65 8.276 8.276 7.692 0.584 25703 3180 1 6 . 1 1 66 66 LYS N N 66 120.950 120.950 121.004 -0.054 25703 3181 1 6 . 1 1 66 66 LYS HA H 66 4.033 4.033 4.047 -0.014 25703 3182 1 6 . 1 1 66 66 LYS C C 66 176.439 176.439 178.011 -1.572 25703 3183 1 6 . 1 1 66 66 LYS CA C 66 59.276 59.276 58.990 0.286 25703 3184 1 6 . 1 1 66 66 LYS CB C 66 32.706 32.706 32.237 0.469 25703 3185 1 6 . 1 1 66 66 LYS H H 66 7.984 7.984 8.160 -0.176 25703 3186 1 6 . 1 1 67 67 ASN N N 67 115.512 115.512 114.705 0.807 25703 3187 1 6 . 1 1 67 67 ASN HA H 67 4.698 4.698 4.962 -0.264 25703 3188 1 6 . 1 1 67 67 ASN C C 67 171.075 171.075 173.889 -2.814 25703 3189 1 6 . 1 1 67 67 ASN CA C 67 54.555 54.555 53.401 1.154 25703 3190 1 6 . 1 1 67 67 ASN CB C 67 40.572 40.572 38.874 1.698 25703 3191 1 6 . 1 1 67 67 ASN H H 67 7.052 7.052 7.607 -0.555 25703 3192 1 6 . 1 1 68 68 GLU N N 68 115.540 115.540 116.012 -0.472 25703 3193 1 6 . 1 1 68 68 GLU HA H 68 3.724 3.724 3.944 -0.220 25703 3194 1 6 . 1 1 68 68 GLU C C 68 175.135 175.135 175.015 0.120 25703 3195 1 6 . 1 1 68 68 GLU CA C 68 57.472 57.472 56.921 0.551 25703 3196 1 6 . 1 1 68 68 GLU CB C 68 27.320 27.320 27.499 -0.179 25703 3197 1 6 . 1 1 68 68 GLU H H 68 7.708 7.708 7.803 -0.095 25703 3198 1 6 . 1 1 69 69 VAL N N 69 121.037 121.037 119.924 1.113 25703 3199 1 6 . 1 1 69 69 VAL HA H 69 3.891 3.891 4.098 -0.207 25703 3200 1 6 . 1 1 69 69 VAL C C 69 174.845 174.845 176.054 -1.209 25703 3201 1 6 . 1 1 69 69 VAL CA C 69 63.315 63.315 62.767 0.548 25703 3202 1 6 . 1 1 69 69 VAL CB C 69 31.259 31.259 31.429 -0.170 25703 3203 1 6 . 1 1 69 69 VAL H H 69 7.786 7.786 8.284 -0.498 25703 3204 1 6 . 1 1 70 70 SER N N 70 123.071 123.071 122.339 0.732 25703 3205 1 6 . 1 1 70 70 SER HA H 70 4.453 4.453 4.529 -0.076 25703 3206 1 6 . 1 1 70 70 SER C C 70 172.450 172.450 174.185 -1.735 25703 3207 1 6 . 1 1 70 70 SER CA C 70 58.194 58.194 58.397 -0.203 25703 3208 1 6 . 1 1 70 70 SER CB C 70 65.148 65.148 64.289 0.859 25703 3209 1 6 . 1 1 70 70 SER H H 70 8.556 8.556 8.714 -0.158 25703 3210 1 6 . 1 1 71 71 ALA N N 71 127.000 127.000 127.834 -0.834 25703 3211 1 6 . 1 1 71 71 ALA HA H 71 4.554 4.554 4.580 -0.026 25703 3212 1 6 . 1 1 71 71 ALA C C 71 175.018 175.018 175.965 -0.947 25703 3213 1 6 . 1 1 71 71 ALA CA C 71 51.898 51.898 51.757 0.141 25703 3214 1 6 . 1 1 71 71 ALA CB C 71 21.560 21.560 19.451 2.109 25703 3215 1 6 . 1 1 71 71 ALA H H 71 7.884 7.884 8.170 -0.286 25703 3216 1 6 . 1 1 72 72 MET N N 72 120.240 120.240 122.792 -2.552 25703 3217 1 6 . 1 1 72 72 MET HA H 72 4.827 4.827 5.168 -0.341 25703 3218 1 6 . 1 1 72 72 MET CA C 72 57.888 57.888 51.141 6.747 25703 3219 1 6 . 1 1 72 72 MET CB C 72 36.102 36.102 32.899 3.203 25703 3220 1 6 . 1 1 72 72 MET H H 72 8.664 8.664 8.516 0.148 25703 3221 1 6 . 1 1 73 73 PRO HA H 73 4.988 4.988 4.946 0.042 25703 3222 1 6 . 1 1 73 73 PRO C C 73 175.162 175.162 176.032 -0.870 25703 3223 1 6 . 1 1 73 73 PRO CA C 73 64.042 64.042 62.073 1.969 25703 3224 1 6 . 1 1 73 73 PRO CB C 73 35.151 35.151 33.820 1.331 25703 3225 1 6 . 1 1 74 74 THR N N 74 114.942 114.942 114.968 -0.026 25703 3226 1 6 . 1 1 74 74 THR HA H 74 4.995 4.995 4.633 0.362 25703 3227 1 6 . 1 1 74 74 THR C C 74 170.891 170.891 173.618 -2.727 25703 3228 1 6 . 1 1 74 74 THR CA C 74 63.926 63.926 62.344 1.582 25703 3229 1 6 . 1 1 74 74 THR CB C 74 73.856 73.856 70.734 3.122 25703 3230 1 6 . 1 1 74 74 THR H H 74 7.490 7.490 8.406 -0.916 25703 3231 1 6 . 1 1 75 75 LEU N N 75 132.149 132.149 129.248 2.901 25703 3232 1 6 . 1 1 75 75 LEU HA H 75 5.493 5.493 5.101 0.392 25703 3233 1 6 . 1 1 75 75 LEU C C 75 174.331 174.331 174.828 -0.497 25703 3234 1 6 . 1 1 75 75 LEU CA C 75 53.852 53.852 53.950 -0.098 25703 3235 1 6 . 1 1 75 75 LEU CB C 75 45.160 45.160 42.277 2.883 25703 3236 1 6 . 1 1 75 75 LEU H H 75 9.427 9.427 9.148 0.279 25703 3237 1 6 . 1 1 76 76 LEU N N 76 124.814 124.814 125.389 -0.575 25703 3238 1 6 . 1 1 76 76 LEU HA H 76 4.932 4.932 4.992 -0.060 25703 3239 1 6 . 1 1 76 76 LEU C C 76 173.732 173.732 175.733 -2.001 25703 3240 1 6 . 1 1 76 76 LEU CA C 76 54.032 54.032 53.820 0.212 25703 3241 1 6 . 1 1 76 76 LEU CB C 76 46.726 46.726 43.870 2.857 25703 3242 1 6 . 1 1 76 76 LEU H H 76 9.240 9.240 8.930 0.310 25703 3243 1 6 . 1 1 77 77 LEU N N 77 123.770 123.770 120.594 3.176 25703 3244 1 6 . 1 1 77 77 LEU HA H 77 5.251 5.251 5.380 -0.129 25703 3245 1 6 . 1 1 77 77 LEU C C 77 174.442 174.442 176.156 -1.714 25703 3246 1 6 . 1 1 77 77 LEU CA C 77 55.087 55.087 53.650 1.437 25703 3247 1 6 . 1 1 77 77 LEU CB C 77 43.250 43.250 42.412 0.838 25703 3248 1 6 . 1 1 77 77 LEU H H 77 8.175 8.175 8.102 0.073 25703 3249 1 6 . 1 1 78 78 PHE N N 78 122.975 122.975 123.487 -0.512 25703 3250 1 6 . 1 1 78 78 PHE HA H 78 5.397 5.397 4.885 0.512 25703 3251 1 6 . 1 1 78 78 PHE C C 78 173.920 173.920 174.916 -0.996 25703 3252 1 6 . 1 1 78 78 PHE CA C 78 56.867 56.867 57.311 -0.444 25703 3253 1 6 . 1 1 78 78 PHE CB C 78 44.858 44.858 43.219 1.639 25703 3254 1 6 . 1 1 78 78 PHE H H 78 9.742 9.742 9.410 0.332 25703 3255 1 6 . 1 1 79 79 LYS N N 79 118.164 118.164 121.826 -3.662 25703 3256 1 6 . 1 1 79 79 LYS HA H 79 4.817 4.817 4.907 -0.090 25703 3257 1 6 . 1 1 79 79 LYS C C 79 177.194 177.194 176.088 1.106 25703 3258 1 6 . 1 1 79 79 LYS CA C 79 57.980 57.980 55.625 2.355 25703 3259 1 6 . 1 1 79 79 LYS CB C 79 37.031 37.031 34.271 2.760 25703 3260 1 6 . 1 1 79 79 LYS H H 79 8.745 8.745 8.715 0.030 25703 3261 1 6 . 1 1 80 80 ASN N N 80 126.660 126.660 125.774 0.886 25703 3262 1 6 . 1 1 80 80 ASN HA H 80 4.291 4.291 4.444 -0.153 25703 3263 1 6 . 1 1 80 80 ASN C C 80 174.868 174.868 175.398 -0.530 25703 3264 1 6 . 1 1 80 80 ASN CA C 80 54.925 54.925 54.651 0.274 25703 3265 1 6 . 1 1 80 80 ASN CB C 80 38.055 38.055 36.724 1.331 25703 3266 1 6 . 1 1 80 80 ASN H H 80 8.893 8.893 9.269 -0.376 25703 3267 1 6 . 1 1 81 81 GLY N N 81 103.991 103.991 105.198 -1.207 25703 3268 1 6 . 1 1 81 81 GLY C C 81 172.724 172.724 174.571 -1.847 25703 3269 1 6 . 1 1 81 81 GLY CA C 81 46.145 46.145 45.905 0.240 25703 3270 1 6 . 1 1 81 81 GLY H H 81 8.639 8.639 8.840 -0.201 25703 3271 1 6 . 1 1 82 82 LYS N N 82 120.266 120.266 119.943 0.323 25703 3272 1 6 . 1 1 82 82 LYS HA H 82 4.937 4.937 4.389 0.548 25703 3273 1 6 . 1 1 82 82 LYS C C 82 174.364 174.364 175.952 -1.588 25703 3274 1 6 . 1 1 82 82 LYS CA C 82 55.602 55.602 55.765 -0.163 25703 3275 1 6 . 1 1 82 82 LYS CB C 82 35.830 35.830 33.200 2.630 25703 3276 1 6 . 1 1 82 82 LYS H H 82 7.576 7.576 7.865 -0.289 25703 3277 1 6 . 1 1 83 83 GLU N N 83 126.445 126.445 117.122 9.323 25703 3278 1 6 . 1 1 83 83 GLU HA H 83 3.867 3.867 3.622 0.245 25703 3279 1 6 . 1 1 83 83 GLU C C 83 176.728 176.728 174.058 2.670 25703 3280 1 6 . 1 1 83 83 GLU CA C 83 57.345 57.345 57.284 0.061 25703 3281 1 6 . 1 1 83 83 GLU CB C 83 30.927 30.927 29.423 1.504 25703 3282 1 6 . 1 1 83 83 GLU H H 83 8.819 8.819 7.843 0.976 25703 3283 1 6 . 1 1 84 84 VAL N N 84 123.147 123.147 118.429 4.718 25703 3284 1 6 . 1 1 84 84 VAL HA H 84 4.417 4.417 4.161 0.256 25703 3285 1 6 . 1 1 84 84 VAL C C 84 175.128 175.128 173.823 1.305 25703 3286 1 6 . 1 1 84 84 VAL CA C 84 61.453 61.453 62.078 -0.625 25703 3287 1 6 . 1 1 84 84 VAL CB C 84 33.692 33.692 33.940 -0.248 25703 3288 1 6 . 1 1 84 84 VAL H H 84 9.258 9.258 8.255 1.003 25703 3289 1 6 . 1 1 85 85 ALA N N 85 122.281 122.281 120.789 1.492 25703 3290 1 6 . 1 1 85 85 ALA HA H 85 4.414 4.414 4.612 -0.198 25703 3291 1 6 . 1 1 85 85 ALA C C 85 173.291 173.291 174.436 -1.145 25703 3292 1 6 . 1 1 85 85 ALA CA C 85 53.133 53.133 51.788 1.345 25703 3293 1 6 . 1 1 85 85 ALA CB C 85 22.544 22.544 21.433 1.111 25703 3294 1 6 . 1 1 85 85 ALA H H 85 7.573 7.573 7.483 0.090 25703 3295 1 6 . 1 1 86 86 LYS N N 86 120.704 120.704 121.281 -0.577 25703 3296 1 6 . 1 1 86 86 LYS HA H 86 4.933 4.933 4.765 0.168 25703 3297 1 6 . 1 1 86 86 LYS C C 86 174.506 174.506 174.502 0.004 25703 3298 1 6 . 1 1 86 86 LYS CA C 86 55.860 55.860 56.099 -0.239 25703 3299 1 6 . 1 1 86 86 LYS CB C 86 35.979 35.979 34.533 1.446 25703 3300 1 6 . 1 1 86 86 LYS H H 86 8.014 8.014 8.314 -0.300 25703 3301 1 6 . 1 1 87 87 VAL N N 87 126.817 126.817 127.167 -0.350 25703 3302 1 6 . 1 1 87 87 VAL HA H 87 4.276 4.276 4.445 -0.169 25703 3303 1 6 . 1 1 87 87 VAL C C 87 174.002 174.002 174.583 -0.581 25703 3304 1 6 . 1 1 87 87 VAL CA C 87 62.070 62.070 61.117 0.953 25703 3305 1 6 . 1 1 87 87 VAL CB C 87 34.958 34.958 34.930 0.028 25703 3306 1 6 . 1 1 87 87 VAL H H 87 9.186 9.186 9.343 -0.157 25703 3307 1 6 . 1 1 88 88 VAL N N 88 129.683 129.683 126.116 3.567 25703 3308 1 6 . 1 1 88 88 VAL HA H 88 4.446 4.446 4.341 0.105 25703 3309 1 6 . 1 1 88 88 VAL C C 88 175.594 175.594 175.441 0.153 25703 3310 1 6 . 1 1 88 88 VAL CA C 88 62.462 62.462 61.906 0.556 25703 3311 1 6 . 1 1 88 88 VAL CB C 88 33.275 33.275 30.673 2.602 25703 3312 1 6 . 1 1 88 88 VAL H H 88 9.026 9.026 8.613 0.413 25703 3313 1 6 . 1 1 89 89 GLY N N 89 114.918 114.918 113.320 1.598 25703 3314 1 6 . 1 1 89 89 GLY CA C 89 44.014 44.014 45.482 -1.468 25703 3315 1 6 . 1 1 89 89 GLY H H 89 8.298 8.298 7.627 0.671 25703 3316 1 6 . 1 1 90 90 ALA HA H 90 4.227 4.227 4.342 -0.115 25703 3317 1 6 . 1 1 90 90 ALA C C 90 174.279 174.279 177.260 -2.981 25703 3318 1 6 . 1 1 90 90 ALA CA C 90 50.915 50.915 52.046 -1.131 25703 3319 1 6 . 1 1 90 90 ALA CB C 90 18.480 18.480 17.987 0.493 25703 3320 1 6 . 1 1 91 91 ASN N N 91 121.022 121.022 122.674 -1.652 25703 3321 1 6 . 1 1 91 91 ASN HA H 91 5.114 5.114 5.104 0.010 25703 3322 1 6 . 1 1 91 91 ASN CA C 91 50.500 50.500 50.346 0.154 25703 3323 1 6 . 1 1 91 91 ASN CB C 91 39.514 39.514 37.830 1.685 25703 3324 1 6 . 1 1 91 91 ASN H H 91 7.360 7.360 7.963 -0.603 25703 3325 1 6 . 1 1 92 92 PRO HA H 92 4.116 4.116 4.323 -0.207 25703 3326 1 6 . 1 1 92 92 PRO CA C 92 63.392 63.392 65.013 -1.621 25703 3327 1 6 . 1 1 93 93 ALA HA H 93 4.074 4.074 4.450 -0.376 25703 3328 1 6 . 1 1 93 93 ALA C C 93 179.673 179.673 178.755 0.918 25703 3329 1 6 . 1 1 93 93 ALA CA C 93 55.353 55.353 53.888 1.465 25703 3330 1 6 . 1 1 93 93 ALA CB C 93 18.455 18.455 18.531 -0.076 25703 3331 1 6 . 1 1 94 94 ALA N N 94 121.514 121.514 120.449 1.065 25703 3332 1 6 . 1 1 94 94 ALA HA H 94 4.064 4.064 4.240 -0.176 25703 3333 1 6 . 1 1 94 94 ALA C C 94 180.373 180.373 179.298 1.075 25703 3334 1 6 . 1 1 94 94 ALA CA C 94 55.418 55.418 53.975 1.443 25703 3335 1 6 . 1 1 94 94 ALA CB C 94 19.268 19.268 18.458 0.810 25703 3336 1 6 . 1 1 94 94 ALA H H 94 7.228 7.228 7.947 -0.719 25703 3337 1 6 . 1 1 95 95 ILE N N 95 120.330 120.330 119.897 0.433 25703 3338 1 6 . 1 1 95 95 ILE HA H 95 3.358 3.358 3.876 -0.518 25703 3339 1 6 . 1 1 95 95 ILE C C 95 175.639 175.639 177.289 -1.650 25703 3340 1 6 . 1 1 95 95 ILE CA C 95 66.564 66.564 63.075 3.489 25703 3341 1 6 . 1 1 95 95 ILE CB C 95 38.854 38.854 38.133 0.721 25703 3342 1 6 . 1 1 95 95 ILE H H 95 7.738 7.738 8.182 -0.444 25703 3343 1 6 . 1 1 96 96 LYS N N 96 119.846 119.846 119.711 0.135 25703 3344 1 6 . 1 1 96 96 LYS HA H 96 3.144 3.144 3.900 -0.756 25703 3345 1 6 . 1 1 96 96 LYS C C 96 177.288 177.288 178.699 -1.411 25703 3346 1 6 . 1 1 96 96 LYS CA C 96 60.420 60.420 59.142 1.278 25703 3347 1 6 . 1 1 96 96 LYS CB C 96 32.612 32.612 31.637 0.976 25703 3348 1 6 . 1 1 96 96 LYS H H 96 8.087 8.087 7.732 0.355 25703 3349 1 6 . 1 1 97 97 GLN N N 97 116.484 116.484 119.144 -2.660 25703 3350 1 6 . 1 1 97 97 GLN HA H 97 3.848 3.848 4.051 -0.203 25703 3351 1 6 . 1 1 97 97 GLN C C 97 177.461 177.461 178.169 -0.708 25703 3352 1 6 . 1 1 97 97 GLN CA C 97 59.069 59.069 58.980 0.089 25703 3353 1 6 . 1 1 97 97 GLN CB C 97 28.799 28.799 28.519 0.280 25703 3354 1 6 . 1 1 97 97 GLN H H 97 7.700 7.700 7.677 0.023 25703 3355 1 6 . 1 1 98 98 ALA N N 98 121.852 121.852 121.622 0.230 25703 3356 1 6 . 1 1 98 98 ALA HA H 98 3.921 3.921 4.120 -0.199 25703 3357 1 6 . 1 1 98 98 ALA C C 98 174.452 174.452 180.002 -5.550 25703 3358 1 6 . 1 1 98 98 ALA CA C 98 55.207 55.207 54.802 0.405 25703 3359 1 6 . 1 1 98 98 ALA CB C 98 18.356 18.356 18.611 -0.255 25703 3360 1 6 . 1 1 98 98 ALA H H 98 7.456 7.456 7.544 -0.088 25703 3361 1 6 . 1 1 99 99 ILE N N 99 118.810 118.810 118.732 0.078 25703 3362 1 6 . 1 1 99 99 ILE HA H 99 3.037 3.037 3.858 -0.821 25703 3363 1 6 . 1 1 99 99 ILE C C 99 176.476 176.476 177.331 -0.855 25703 3364 1 6 . 1 1 99 99 ILE CA C 99 65.925 65.925 63.002 2.923 25703 3365 1 6 . 1 1 99 99 ILE CB C 99 38.622 38.622 37.181 1.441 25703 3366 1 6 . 1 1 99 99 ILE H H 99 7.692 7.692 8.644 -0.952 25703 3367 1 6 . 1 1 100 100 ALA N N 100 120.478 120.478 121.078 -0.600 25703 3368 1 6 . 1 1 100 100 ALA HA H 100 3.713 3.713 4.134 -0.421 25703 3369 1 6 . 1 1 100 100 ALA C C 100 179.910 179.910 178.826 1.084 25703 3370 1 6 . 1 1 100 100 ALA CA C 100 55.491 55.491 53.758 1.734 25703 3371 1 6 . 1 1 100 100 ALA CB C 100 18.656 18.656 18.983 -0.327 25703 3372 1 6 . 1 1 100 100 ALA H H 100 8.164 8.164 8.095 0.069 25703 3373 1 6 . 1 1 101 101 ALA N N 101 116.616 116.616 121.186 -4.570 25703 3374 1 6 . 1 1 101 101 ALA HA H 101 4.084 4.084 4.059 0.025 25703 3375 1 6 . 1 1 101 101 ALA C C 101 177.705 177.705 178.966 -1.261 25703 3376 1 6 . 1 1 101 101 ALA CA C 101 54.113 54.113 54.396 -0.283 25703 3377 1 6 . 1 1 101 101 ALA CB C 101 19.576 19.576 19.210 0.366 25703 3378 1 6 . 1 1 101 101 ALA H H 101 7.649 7.649 7.899 -0.250 25703 3379 1 6 . 1 1 102 102 ASN N N 102 114.293 114.293 115.386 -1.093 25703 3380 1 6 . 1 1 102 102 ASN HA H 102 4.753 4.753 4.628 0.125 25703 3381 1 6 . 1 1 102 102 ASN C C 102 172.210 172.210 175.974 -3.764 25703 3382 1 6 . 1 1 102 102 ASN CA C 102 54.809 54.809 53.906 0.903 25703 3383 1 6 . 1 1 102 102 ASN CB C 102 43.388 43.388 39.255 4.133 25703 3384 1 6 . 1 1 102 102 ASN H H 102 7.110 7.110 7.952 -0.842 25703 3385 1 7 . 1 1 2 2 VAL N N 2 125.982 125.982 124.107 1.875 25703 3386 1 7 . 1 1 2 2 VAL HA H 2 4.054 4.054 4.614 -0.560 25703 3387 1 7 . 1 1 2 2 VAL CA C 2 61.397 61.397 61.752 -0.355 25703 3388 1 7 . 1 1 2 2 VAL CB C 2 32.844 32.844 33.208 -0.364 25703 3389 1 7 . 1 1 2 2 VAL H H 2 8.576 8.576 8.495 0.081 25703 3390 1 7 . 1 1 3 3 THR N N 3 126.926 126.926 122.835 4.091 25703 3391 1 7 . 1 1 3 3 THR HA H 3 4.120 4.120 4.416 -0.296 25703 3392 1 7 . 1 1 3 3 THR C C 3 172.671 172.671 173.721 -1.050 25703 3393 1 7 . 1 1 3 3 THR CA C 3 64.010 64.010 63.195 0.815 25703 3394 1 7 . 1 1 3 3 THR CB C 3 70.030 70.030 69.669 0.361 25703 3395 1 7 . 1 1 3 3 THR H H 3 7.787 7.787 8.591 -0.804 25703 3396 1 7 . 1 1 4 4 GLN N N 4 128.743 128.743 123.407 5.336 25703 3397 1 7 . 1 1 4 4 GLN HA H 4 4.726 4.726 4.806 -0.080 25703 3398 1 7 . 1 1 4 4 GLN C C 4 176.254 176.254 174.604 1.650 25703 3399 1 7 . 1 1 4 4 GLN CA C 4 54.925 54.925 54.235 0.690 25703 3400 1 7 . 1 1 4 4 GLN CB C 4 30.039 30.039 30.582 -0.543 25703 3401 1 7 . 1 1 4 4 GLN H H 4 8.976 8.976 8.289 0.687 25703 3402 1 7 . 1 1 5 5 PHE N N 5 127.295 127.295 122.929 4.366 25703 3403 1 7 . 1 1 5 5 PHE HA H 5 4.793 4.793 4.579 0.214 25703 3404 1 7 . 1 1 5 5 PHE C C 5 175.627 175.627 176.087 -0.460 25703 3405 1 7 . 1 1 5 5 PHE CA C 5 59.080 59.080 56.095 2.985 25703 3406 1 7 . 1 1 5 5 PHE CB C 5 41.083 41.083 41.905 -0.822 25703 3407 1 7 . 1 1 5 5 PHE H H 5 8.434 8.434 8.166 0.268 25703 3408 1 7 . 1 1 6 6 LYS N N 6 120.464 120.464 116.620 3.844 25703 3409 1 7 . 1 1 6 6 LYS HA H 6 4.623 4.623 4.481 0.142 25703 3410 1 7 . 1 1 6 6 LYS C C 6 176.504 176.504 175.655 0.849 25703 3411 1 7 . 1 1 6 6 LYS CA C 6 56.526 56.526 56.193 0.333 25703 3412 1 7 . 1 1 6 6 LYS CB C 6 34.660 34.660 33.919 0.741 25703 3413 1 7 . 1 1 6 6 LYS H H 6 9.821 9.821 8.511 1.310 25703 3414 1 7 . 1 1 7 7 THR N N 7 108.286 108.286 108.709 -0.423 25703 3415 1 7 . 1 1 7 7 THR HA H 7 4.738 4.738 4.683 0.055 25703 3416 1 7 . 1 1 7 7 THR C C 7 173.410 173.410 174.781 -1.371 25703 3417 1 7 . 1 1 7 7 THR CA C 7 59.287 59.287 59.317 -0.030 25703 3418 1 7 . 1 1 7 7 THR CB C 7 73.138 73.138 72.352 0.786 25703 3419 1 7 . 1 1 7 7 THR H H 7 7.467 7.467 7.411 0.056 25703 3420 1 7 . 1 1 8 8 ALA N N 8 125.007 125.007 126.116 -1.109 25703 3421 1 7 . 1 1 8 8 ALA HA H 8 3.705 3.705 4.070 -0.365 25703 3422 1 7 . 1 1 8 8 ALA C C 8 178.859 178.859 179.795 -0.936 25703 3423 1 7 . 1 1 8 8 ALA CA C 8 55.453 55.453 55.080 0.373 25703 3424 1 7 . 1 1 8 8 ALA CB C 8 18.689 18.689 18.148 0.541 25703 3425 1 7 . 1 1 8 8 ALA H H 8 9.038 9.038 8.971 0.067 25703 3426 1 7 . 1 1 9 9 SER N N 9 113.408 113.408 113.917 -0.509 25703 3427 1 7 . 1 1 9 9 SER HA H 9 4.124 4.124 4.131 -0.007 25703 3428 1 7 . 1 1 9 9 SER C C 9 176.575 176.575 176.723 -0.148 25703 3429 1 7 . 1 1 9 9 SER CA C 9 61.528 61.528 61.561 -0.033 25703 3430 1 7 . 1 1 9 9 SER CB C 9 62.703 62.703 62.623 0.080 25703 3431 1 7 . 1 1 9 9 SER H H 9 8.159 8.159 8.384 -0.225 25703 3432 1 7 . 1 1 10 10 GLU N N 10 123.005 123.005 120.971 2.034 25703 3433 1 7 . 1 1 10 10 GLU HA H 10 3.853 3.853 3.678 0.175 25703 3434 1 7 . 1 1 10 10 GLU C C 10 178.294 178.294 178.292 0.002 25703 3435 1 7 . 1 1 10 10 GLU CA C 10 59.266 59.266 58.688 0.578 25703 3436 1 7 . 1 1 10 10 GLU CB C 10 31.536 31.536 28.877 2.659 25703 3437 1 7 . 1 1 10 10 GLU H H 10 7.552 7.552 7.590 -0.038 25703 3438 1 7 . 1 1 11 11 PHE N N 11 121.633 121.633 119.963 1.670 25703 3439 1 7 . 1 1 11 11 PHE HA H 11 2.864 2.864 3.596 -0.732 25703 3440 1 7 . 1 1 11 11 PHE C C 11 176.786 176.786 176.822 -0.036 25703 3441 1 7 . 1 1 11 11 PHE CA C 11 61.182 61.182 60.802 0.380 25703 3442 1 7 . 1 1 11 11 PHE CB C 11 38.202 38.202 39.240 -1.038 25703 3443 1 7 . 1 1 11 11 PHE H H 11 6.632 6.632 7.596 -0.964 25703 3444 1 7 . 1 1 12 12 ASP N N 12 118.991 118.991 119.324 -0.333 25703 3445 1 7 . 1 1 12 12 ASP HA H 12 3.841 3.841 3.866 -0.025 25703 3446 1 7 . 1 1 12 12 ASP C C 12 178.286 178.286 178.496 -0.210 25703 3447 1 7 . 1 1 12 12 ASP CA C 12 57.547 57.547 57.500 0.047 25703 3448 1 7 . 1 1 12 12 ASP CB C 12 40.790 40.790 40.688 0.102 25703 3449 1 7 . 1 1 12 12 ASP H H 12 7.687 7.687 8.633 -0.946 25703 3450 1 7 . 1 1 13 13 SER N N 13 112.966 112.966 114.566 -1.600 25703 3451 1 7 . 1 1 13 13 SER HA H 13 4.022 4.022 4.103 -0.081 25703 3452 1 7 . 1 1 13 13 SER C C 13 175.827 175.827 176.192 -0.365 25703 3453 1 7 . 1 1 13 13 SER CA C 13 61.410 61.410 60.890 0.520 25703 3454 1 7 . 1 1 13 13 SER CB C 13 63.499 63.499 63.009 0.490 25703 3455 1 7 . 1 1 13 13 SER H H 13 7.563 7.563 7.990 -0.427 25703 3456 1 7 . 1 1 14 14 ALA N N 14 124.823 124.823 123.415 1.408 25703 3457 1 7 . 1 1 14 14 ALA HA H 14 4.025 4.025 4.441 -0.416 25703 3458 1 7 . 1 1 14 14 ALA C C 14 179.909 179.909 180.187 -0.278 25703 3459 1 7 . 1 1 14 14 ALA CA C 14 54.710 54.710 54.497 0.213 25703 3460 1 7 . 1 1 14 14 ALA CB C 14 19.286 19.286 18.684 0.602 25703 3461 1 7 . 1 1 14 14 ALA H H 14 7.671 7.671 7.161 0.510 25703 3462 1 7 . 1 1 15 15 ILE N N 15 108.002 108.002 114.553 -6.551 25703 3463 1 7 . 1 1 15 15 ILE HA H 15 3.721 3.721 3.747 -0.026 25703 3464 1 7 . 1 1 15 15 ILE C C 15 175.512 175.512 176.944 -1.432 25703 3465 1 7 . 1 1 15 15 ILE CA C 15 64.058 64.058 63.958 0.100 25703 3466 1 7 . 1 1 15 15 ILE CB C 15 38.277 38.277 36.924 1.353 25703 3467 1 7 . 1 1 15 15 ILE H H 15 7.195 7.195 7.993 -0.798 25703 3468 1 7 . 1 1 16 16 ALA N N 16 123.051 123.051 121.243 1.808 25703 3469 1 7 . 1 1 16 16 ALA HA H 16 4.013 4.013 4.329 -0.316 25703 3470 1 7 . 1 1 16 16 ALA C C 16 176.636 176.636 178.020 -1.384 25703 3471 1 7 . 1 1 16 16 ALA CA C 16 52.318 52.318 52.140 0.178 25703 3472 1 7 . 1 1 16 16 ALA CB C 16 18.956 18.956 18.869 0.087 25703 3473 1 7 . 1 1 16 16 ALA H H 16 6.623 6.623 7.458 -0.835 25703 3474 1 7 . 1 1 17 17 GLN N N 17 116.236 116.236 119.377 -3.141 25703 3475 1 7 . 1 1 17 17 GLN HA H 17 4.198 4.198 4.179 0.019 25703 3476 1 7 . 1 1 17 17 GLN C C 17 174.965 174.965 174.988 -0.023 25703 3477 1 7 . 1 1 17 17 GLN CA C 17 56.422 56.422 55.644 0.778 25703 3478 1 7 . 1 1 17 17 GLN CB C 17 34.338 34.338 29.298 5.040 25703 3479 1 7 . 1 1 17 17 GLN H H 17 7.140 7.140 7.557 -0.417 25703 3480 1 7 . 1 1 18 18 ASP N N 18 123.905 123.905 121.198 2.707 25703 3481 1 7 . 1 1 18 18 ASP HA H 18 4.998 4.998 4.524 0.474 25703 3482 1 7 . 1 1 18 18 ASP C C 18 174.817 174.817 174.840 -0.023 25703 3483 1 7 . 1 1 18 18 ASP CB C 18 39.414 39.414 39.352 0.062 25703 3484 1 7 . 1 1 18 18 ASP H H 18 8.651 8.651 8.751 -0.100 25703 3485 1 7 . 1 1 19 19 LYS N N 19 119.499 119.499 115.312 4.187 25703 3486 1 7 . 1 1 19 19 LYS HA H 19 4.384 4.384 4.552 -0.168 25703 3487 1 7 . 1 1 19 19 LYS C C 19 172.740 172.740 175.082 -2.342 25703 3488 1 7 . 1 1 19 19 LYS CA C 19 55.163 55.163 54.326 0.837 25703 3489 1 7 . 1 1 19 19 LYS CB C 19 34.721 34.721 35.228 -0.507 25703 3490 1 7 . 1 1 19 19 LYS H H 19 7.950 7.950 7.622 0.328 25703 3491 1 7 . 1 1 20 20 LEU N N 20 121.877 121.877 124.584 -2.707 25703 3492 1 7 . 1 1 20 20 LEU HA H 20 4.972 4.972 4.790 0.182 25703 3493 1 7 . 1 1 20 20 LEU C C 20 173.937 173.937 175.314 -1.377 25703 3494 1 7 . 1 1 20 20 LEU CA C 20 57.132 57.132 54.686 2.446 25703 3495 1 7 . 1 1 20 20 LEU CB C 20 42.012 42.012 40.968 1.044 25703 3496 1 7 . 1 1 20 20 LEU H H 20 8.641 8.641 8.910 -0.269 25703 3497 1 7 . 1 1 21 21 VAL N N 21 129.812 129.812 129.306 0.506 25703 3498 1 7 . 1 1 21 21 VAL HA H 21 4.439 4.439 4.471 -0.032 25703 3499 1 7 . 1 1 21 21 VAL C C 21 173.493 173.493 174.452 -0.959 25703 3500 1 7 . 1 1 21 21 VAL CA C 21 62.510 62.510 61.880 0.630 25703 3501 1 7 . 1 1 21 21 VAL CB C 21 34.732 34.732 32.982 1.750 25703 3502 1 7 . 1 1 21 21 VAL H H 21 9.263 9.263 8.989 0.274 25703 3503 1 7 . 1 1 22 22 VAL N N 22 131.684 131.684 129.735 1.949 25703 3504 1 7 . 1 1 22 22 VAL HA H 22 4.408 4.408 4.697 -0.289 25703 3505 1 7 . 1 1 22 22 VAL C C 22 174.331 174.331 173.887 0.444 25703 3506 1 7 . 1 1 22 22 VAL CA C 22 61.561 61.561 60.427 1.134 25703 3507 1 7 . 1 1 22 22 VAL CB C 22 33.630 33.630 32.654 0.976 25703 3508 1 7 . 1 1 22 22 VAL H H 22 9.006 9.006 8.376 0.630 25703 3509 1 7 . 1 1 23 23 VAL N N 23 126.475 126.475 131.485 -5.010 25703 3510 1 7 . 1 1 23 23 VAL HA H 23 4.422 4.422 5.083 -0.661 25703 3511 1 7 . 1 1 23 23 VAL C C 23 174.342 174.342 174.203 0.139 25703 3512 1 7 . 1 1 23 23 VAL CA C 23 61.672 61.672 60.451 1.221 25703 3513 1 7 . 1 1 23 23 VAL CB C 23 34.042 34.042 35.020 -0.978 25703 3514 1 7 . 1 1 23 23 VAL H H 23 9.551 9.551 8.189 1.362 25703 3515 1 7 . 1 1 24 24 ALA N N 24 131.649 131.649 127.157 4.492 25703 3516 1 7 . 1 1 24 24 ALA HA H 24 4.953 4.953 5.528 -0.575 25703 3517 1 7 . 1 1 24 24 ALA C C 24 174.683 174.683 176.893 -2.210 25703 3518 1 7 . 1 1 24 24 ALA CA C 24 51.712 51.712 49.592 2.120 25703 3519 1 7 . 1 1 24 24 ALA CB C 24 20.149 20.149 21.426 -1.277 25703 3520 1 7 . 1 1 24 24 ALA H H 24 8.991 8.991 8.282 0.709 25703 3521 1 7 . 1 1 25 25 PHE N N 25 124.535 124.535 124.948 -0.413 25703 3522 1 7 . 1 1 25 25 PHE HA H 25 5.002 5.002 4.573 0.429 25703 3523 1 7 . 1 1 25 25 PHE C C 25 174.231 174.231 174.892 -0.661 25703 3524 1 7 . 1 1 25 25 PHE CA C 25 58.196 58.196 59.179 -0.983 25703 3525 1 7 . 1 1 25 25 PHE CB C 25 40.231 40.231 39.220 1.011 25703 3526 1 7 . 1 1 25 25 PHE H H 25 9.231 9.231 8.728 0.503 25703 3527 1 7 . 1 1 26 26 TYR N N 26 121.986 121.986 123.592 -1.606 25703 3528 1 7 . 1 1 26 26 TYR HA H 26 5.112 5.112 4.652 0.460 25703 3529 1 7 . 1 1 26 26 TYR C C 26 170.727 170.727 174.378 -3.651 25703 3530 1 7 . 1 1 26 26 TYR CA C 26 55.240 55.240 54.858 0.382 25703 3531 1 7 . 1 1 26 26 TYR CB C 26 43.023 43.023 43.151 -0.128 25703 3532 1 7 . 1 1 26 26 TYR H H 26 8.869 8.869 8.558 0.311 25703 3533 1 7 . 1 1 27 27 ALA N N 27 117.474 117.474 119.179 -1.705 25703 3534 1 7 . 1 1 27 27 ALA HA H 27 4.329 4.329 4.857 -0.528 25703 3535 1 7 . 1 1 27 27 ALA C C 27 178.755 178.755 177.475 1.280 25703 3536 1 7 . 1 1 27 27 ALA CA C 27 50.966 50.966 50.741 0.225 25703 3537 1 7 . 1 1 27 27 ALA CB C 27 22.735 22.735 20.325 2.410 25703 3538 1 7 . 1 1 27 27 ALA H H 27 6.235 6.235 8.059 -1.824 25703 3539 1 7 . 1 1 28 28 THR N N 28 119.624 119.624 119.866 -0.242 25703 3540 1 7 . 1 1 28 28 THR HA H 28 3.907 3.907 3.986 -0.079 25703 3541 1 7 . 1 1 28 28 THR C C 28 174.360 174.360 175.366 -1.006 25703 3542 1 7 . 1 1 28 28 THR CA C 28 65.865 65.865 66.079 -0.214 25703 3543 1 7 . 1 1 28 28 THR CB C 28 69.336 69.336 69.052 0.284 25703 3544 1 7 . 1 1 28 28 THR H H 28 10.381 10.381 8.174 2.207 25703 3545 1 7 . 1 1 29 29 TRP N N 29 115.983 115.983 117.607 -1.624 25703 3546 1 7 . 1 1 29 29 TRP HA H 29 4.590 4.590 4.928 -0.338 25703 3547 1 7 . 1 1 29 29 TRP CA C 29 53.924 53.924 54.212 -0.288 25703 3548 1 7 . 1 1 29 29 TRP CB C 29 29.460 29.460 28.266 1.194 25703 3549 1 7 . 1 1 29 29 TRP H H 29 6.472 6.472 6.797 -0.325 25703 3550 1 7 . 1 1 30 30 CYS HA H 30 3.857 3.857 4.909 -1.052 25703 3551 1 7 . 1 1 30 30 CYS CA C 30 58.536 58.536 57.265 1.271 25703 3552 1 7 . 1 1 30 30 CYS CB C 30 37.005 37.005 29.735 7.270 25703 3553 1 7 . 1 1 31 31 GLY CA C 31 48.989 48.989 47.039 1.950 25703 3554 1 7 . 1 1 32 32 PRO HA H 32 4.398 4.398 4.363 0.035 25703 3555 1 7 . 1 1 32 32 PRO C C 32 177.189 177.189 178.256 -1.067 25703 3556 1 7 . 1 1 32 32 PRO CA C 32 65.366 65.366 64.299 1.067 25703 3557 1 7 . 1 1 32 32 PRO CB C 32 32.289 32.289 31.198 1.091 25703 3558 1 7 . 1 1 33 33 CYS N N 33 111.468 111.468 115.312 -3.844 25703 3559 1 7 . 1 1 33 33 CYS HA H 33 4.223 4.223 3.430 0.793 25703 3560 1 7 . 1 1 33 33 CYS CA C 33 65.801 65.801 62.921 2.880 25703 3561 1 7 . 1 1 33 33 CYS CB C 33 34.949 34.949 25.755 9.194 25703 3562 1 7 . 1 1 33 33 CYS H H 33 7.991 7.991 8.184 -0.193 25703 3563 1 7 . 1 1 34 34 LYS HA H 34 3.968 3.968 4.000 -0.032 25703 3564 1 7 . 1 1 34 34 LYS C C 34 178.052 178.052 179.026 -0.974 25703 3565 1 7 . 1 1 34 34 LYS CA C 34 59.661 59.661 58.807 0.854 25703 3566 1 7 . 1 1 34 34 LYS CB C 34 32.513 32.513 31.987 0.526 25703 3567 1 7 . 1 1 35 35 MET N N 35 117.236 117.236 118.298 -1.062 25703 3568 1 7 . 1 1 35 35 MET HA H 35 4.194 4.194 4.128 0.066 25703 3569 1 7 . 1 1 35 35 MET C C 35 177.451 177.451 178.225 -0.774 25703 3570 1 7 . 1 1 35 35 MET CA C 35 57.938 57.938 58.733 -0.795 25703 3571 1 7 . 1 1 35 35 MET CB C 35 32.628 32.628 32.505 0.123 25703 3572 1 7 . 1 1 35 35 MET H H 35 7.326 7.326 7.522 -0.196 25703 3573 1 7 . 1 1 36 36 ILE N N 36 113.758 113.758 118.764 -5.006 25703 3574 1 7 . 1 1 36 36 ILE HA H 36 4.345 4.345 3.935 0.410 25703 3575 1 7 . 1 1 36 36 ILE C C 36 176.183 176.183 176.534 -0.351 25703 3576 1 7 . 1 1 36 36 ILE CA C 36 60.656 60.656 62.682 -2.026 25703 3577 1 7 . 1 1 36 36 ILE CB C 36 39.657 39.657 37.515 2.142 25703 3578 1 7 . 1 1 36 36 ILE H H 36 7.315 7.315 8.041 -0.726 25703 3579 1 7 . 1 1 37 37 ALA N N 37 126.738 126.738 125.300 1.438 25703 3580 1 7 . 1 1 37 37 ALA HA H 37 4.095 4.095 4.472 -0.377 25703 3581 1 7 . 1 1 37 37 ALA CA C 37 57.562 57.562 56.344 1.218 25703 3582 1 7 . 1 1 37 37 ALA CB C 37 15.912 15.912 16.376 -0.464 25703 3583 1 7 . 1 1 37 37 ALA H H 37 7.447 7.447 7.681 -0.234 25703 3584 1 7 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.574 -0.304 25703 3585 1 7 . 1 1 38 38 PRO C C 38 178.922 178.922 179.004 -0.082 25703 3586 1 7 . 1 1 38 38 PRO CA C 38 65.743 65.743 65.423 0.320 25703 3587 1 7 . 1 1 38 38 PRO CB C 38 31.224 31.224 31.353 -0.129 25703 3588 1 7 . 1 1 39 39 MET N N 39 118.310 118.310 117.644 0.666 25703 3589 1 7 . 1 1 39 39 MET HA H 39 3.859 3.859 4.314 -0.455 25703 3590 1 7 . 1 1 39 39 MET C C 39 174.441 174.441 179.082 -4.641 25703 3591 1 7 . 1 1 39 39 MET CA C 39 58.390 58.390 57.870 0.520 25703 3592 1 7 . 1 1 39 39 MET CB C 39 31.394 31.394 31.515 -0.121 25703 3593 1 7 . 1 1 39 39 MET H H 39 7.063 7.063 7.332 -0.269 25703 3594 1 7 . 1 1 40 40 ILE N N 40 119.013 119.013 120.786 -1.773 25703 3595 1 7 . 1 1 40 40 ILE HA H 40 3.595 3.595 3.713 -0.118 25703 3596 1 7 . 1 1 40 40 ILE C C 40 177.267 177.267 177.778 -0.511 25703 3597 1 7 . 1 1 40 40 ILE CA C 40 64.393 64.393 64.975 -0.582 25703 3598 1 7 . 1 1 40 40 ILE CB C 40 36.259 36.259 37.707 -1.448 25703 3599 1 7 . 1 1 40 40 ILE H H 40 7.752 7.752 9.152 -1.400 25703 3600 1 7 . 1 1 41 41 GLU N N 41 119.530 119.530 119.333 0.197 25703 3601 1 7 . 1 1 41 41 GLU HA H 41 3.572 3.572 3.735 -0.163 25703 3602 1 7 . 1 1 41 41 GLU C C 41 179.597 179.597 179.207 0.390 25703 3603 1 7 . 1 1 41 41 GLU CA C 41 59.878 59.878 59.388 0.490 25703 3604 1 7 . 1 1 41 41 GLU CB C 41 29.900 29.900 29.174 0.726 25703 3605 1 7 . 1 1 41 41 GLU H H 41 7.442 7.442 7.842 -0.400 25703 3606 1 7 . 1 1 42 42 LYS N N 42 122.053 122.053 121.536 0.517 25703 3607 1 7 . 1 1 42 42 LYS HA H 42 3.932 3.932 4.023 -0.091 25703 3608 1 7 . 1 1 42 42 LYS C C 42 179.390 179.390 179.057 0.333 25703 3609 1 7 . 1 1 42 42 LYS CA C 42 59.532 59.532 58.526 1.006 25703 3610 1 7 . 1 1 42 42 LYS CB C 42 31.281 31.281 31.536 -0.255 25703 3611 1 7 . 1 1 42 42 LYS H H 42 7.428 7.428 7.519 -0.091 25703 3612 1 7 . 1 1 43 43 PHE N N 43 120.250 120.250 118.394 1.856 25703 3613 1 7 . 1 1 43 43 PHE HA H 43 4.639 4.639 4.356 0.283 25703 3614 1 7 . 1 1 43 43 PHE C C 43 177.337 177.337 177.060 0.277 25703 3615 1 7 . 1 1 43 43 PHE CA C 43 59.331 59.331 60.740 -1.409 25703 3616 1 7 . 1 1 43 43 PHE CB C 43 37.737 37.737 38.678 -0.941 25703 3617 1 7 . 1 1 43 43 PHE H H 43 8.337 8.337 8.970 -0.633 25703 3618 1 7 . 1 1 44 44 SER N N 44 117.203 117.203 113.220 3.983 25703 3619 1 7 . 1 1 44 44 SER HA H 44 2.967 2.967 2.617 0.350 25703 3620 1 7 . 1 1 44 44 SER C C 44 174.934 174.934 175.190 -0.256 25703 3621 1 7 . 1 1 44 44 SER CA C 44 61.159 61.159 59.686 1.473 25703 3622 1 7 . 1 1 44 44 SER CB C 44 62.353 62.353 61.498 0.855 25703 3623 1 7 . 1 1 44 44 SER H H 44 7.754 7.754 7.991 -0.237 25703 3624 1 7 . 1 1 45 45 GLU N N 45 121.664 121.664 120.065 1.599 25703 3625 1 7 . 1 1 45 45 GLU HA H 45 4.049 4.049 4.075 -0.026 25703 3626 1 7 . 1 1 45 45 GLU C C 45 177.360 177.360 178.123 -0.763 25703 3627 1 7 . 1 1 45 45 GLU CA C 45 57.739 57.739 57.922 -0.183 25703 3628 1 7 . 1 1 45 45 GLU CB C 45 30.191 30.191 29.589 0.602 25703 3629 1 7 . 1 1 45 45 GLU H H 45 6.884 6.884 7.366 -0.482 25703 3630 1 7 . 1 1 46 46 GLN N N 46 118.766 118.766 116.330 2.436 25703 3631 1 7 . 1 1 46 46 GLN HA H 46 3.948 3.948 4.228 -0.280 25703 3632 1 7 . 1 1 46 46 GLN C C 46 177.431 177.431 175.910 1.521 25703 3633 1 7 . 1 1 46 46 GLN CA C 46 58.372 58.372 56.046 2.326 25703 3634 1 7 . 1 1 46 46 GLN CB C 46 30.160 30.160 29.675 0.485 25703 3635 1 7 . 1 1 46 46 GLN H H 46 7.551 7.551 7.555 -0.004 25703 3636 1 7 . 1 1 47 47 TYR N N 47 117.012 117.012 113.321 3.691 25703 3637 1 7 . 1 1 47 47 TYR HA H 47 4.971 4.971 5.064 -0.093 25703 3638 1 7 . 1 1 47 47 TYR CA C 47 56.523 56.523 54.332 2.191 25703 3639 1 7 . 1 1 47 47 TYR CB C 47 38.479 38.479 37.321 1.158 25703 3640 1 7 . 1 1 47 47 TYR H H 47 7.426 7.426 7.072 0.354 25703 3641 1 7 . 1 1 48 48 PRO HA H 48 4.388 4.388 4.559 -0.171 25703 3642 1 7 . 1 1 48 48 PRO C C 48 176.927 176.927 177.524 -0.597 25703 3643 1 7 . 1 1 48 48 PRO CA C 48 65.425 65.425 63.673 1.752 25703 3644 1 7 . 1 1 48 48 PRO CB C 48 32.619 32.619 32.357 0.262 25703 3645 1 7 . 1 1 49 49 GLN N N 49 120.194 120.194 117.347 2.847 25703 3646 1 7 . 1 1 49 49 GLN HA H 49 4.369 4.369 4.297 0.072 25703 3647 1 7 . 1 1 49 49 GLN C C 49 174.438 174.438 174.662 -0.224 25703 3648 1 7 . 1 1 49 49 GLN CA C 49 56.832 56.832 55.641 1.191 25703 3649 1 7 . 1 1 49 49 GLN CB C 49 28.164 28.164 28.475 -0.311 25703 3650 1 7 . 1 1 49 49 GLN H H 49 9.624 9.624 8.620 1.004 25703 3651 1 7 . 1 1 50 50 ALA N N 50 128.180 128.180 123.196 4.984 25703 3652 1 7 . 1 1 50 50 ALA HA H 50 5.048 5.048 4.577 0.471 25703 3653 1 7 . 1 1 50 50 ALA C C 50 174.685 174.685 175.667 -0.982 25703 3654 1 7 . 1 1 50 50 ALA CA C 50 50.518 50.518 50.699 -0.180 25703 3655 1 7 . 1 1 50 50 ALA CB C 50 22.754 22.754 22.272 0.482 25703 3656 1 7 . 1 1 50 50 ALA H H 50 8.179 8.179 7.529 0.650 25703 3657 1 7 . 1 1 51 51 ASP N N 51 121.032 121.032 120.950 0.082 25703 3658 1 7 . 1 1 51 51 ASP HA H 51 5.102 5.102 4.576 0.526 25703 3659 1 7 . 1 1 51 51 ASP C C 51 174.171 174.171 174.545 -0.374 25703 3660 1 7 . 1 1 51 51 ASP CA C 51 53.515 53.515 53.250 0.265 25703 3661 1 7 . 1 1 51 51 ASP CB C 51 44.782 44.782 43.047 1.735 25703 3662 1 7 . 1 1 51 51 ASP H H 51 8.435 8.435 8.470 -0.035 25703 3663 1 7 . 1 1 52 52 PHE N N 52 121.696 121.696 121.170 0.526 25703 3664 1 7 . 1 1 52 52 PHE HA H 52 5.172 5.172 5.073 0.099 25703 3665 1 7 . 1 1 52 52 PHE C C 52 174.110 174.110 174.039 0.071 25703 3666 1 7 . 1 1 52 52 PHE CA C 52 57.189 57.189 56.176 1.013 25703 3667 1 7 . 1 1 52 52 PHE CB C 52 42.291 42.291 38.650 3.641 25703 3668 1 7 . 1 1 52 52 PHE H H 52 8.983 8.983 7.496 1.487 25703 3669 1 7 . 1 1 53 53 TYR N N 53 122.042 122.042 122.302 -0.260 25703 3670 1 7 . 1 1 53 53 TYR HA H 53 5.495 5.495 5.065 0.430 25703 3671 1 7 . 1 1 53 53 TYR C C 53 174.002 174.002 175.221 -1.219 25703 3672 1 7 . 1 1 53 53 TYR CA C 53 56.214 56.214 56.035 0.179 25703 3673 1 7 . 1 1 53 53 TYR CB C 53 46.407 46.407 41.622 4.785 25703 3674 1 7 . 1 1 53 53 TYR H H 53 9.362 9.362 8.826 0.536 25703 3675 1 7 . 1 1 54 54 LYS N N 54 116.808 116.808 121.305 -4.497 25703 3676 1 7 . 1 1 54 54 LYS HA H 54 5.505 5.505 4.763 0.742 25703 3677 1 7 . 1 1 54 54 LYS C C 54 172.792 172.792 174.693 -1.901 25703 3678 1 7 . 1 1 54 54 LYS CA C 54 53.943 53.943 54.472 -0.529 25703 3679 1 7 . 1 1 54 54 LYS CB C 54 36.950 36.950 33.708 3.242 25703 3680 1 7 . 1 1 54 54 LYS H H 54 8.463 8.463 8.965 -0.502 25703 3681 1 7 . 1 1 55 55 LEU N N 55 123.826 123.826 122.344 1.482 25703 3682 1 7 . 1 1 55 55 LEU HA H 55 4.472 4.472 4.474 -0.002 25703 3683 1 7 . 1 1 55 55 LEU C C 55 171.652 171.652 175.905 -4.253 25703 3684 1 7 . 1 1 55 55 LEU CA C 55 55.906 55.906 53.333 2.573 25703 3685 1 7 . 1 1 55 55 LEU CB C 55 46.528 46.528 43.467 3.061 25703 3686 1 7 . 1 1 55 55 LEU H H 55 8.688 8.688 8.691 -0.003 25703 3687 1 7 . 1 1 56 56 ASP N N 56 127.169 127.169 118.142 9.027 25703 3688 1 7 . 1 1 56 56 ASP HA H 56 4.130 4.130 5.083 -0.953 25703 3689 1 7 . 1 1 56 56 ASP C C 56 177.692 177.692 177.487 0.205 25703 3690 1 7 . 1 1 56 56 ASP CA C 56 54.074 54.074 52.991 1.083 25703 3691 1 7 . 1 1 56 56 ASP CB C 56 41.388 41.388 43.812 -2.424 25703 3692 1 7 . 1 1 56 56 ASP H H 56 8.595 8.595 8.650 -0.055 25703 3693 1 7 . 1 1 57 57 VAL N N 57 123.562 123.562 121.218 2.344 25703 3694 1 7 . 1 1 57 57 VAL HA H 57 3.491 3.491 4.227 -0.736 25703 3695 1 7 . 1 1 57 57 VAL C C 57 175.413 175.413 176.371 -0.958 25703 3696 1 7 . 1 1 57 57 VAL CA C 57 65.095 65.095 64.286 0.809 25703 3697 1 7 . 1 1 57 57 VAL CB C 57 31.658 31.658 31.119 0.540 25703 3698 1 7 . 1 1 57 57 VAL H H 57 8.712 8.712 8.914 -0.202 25703 3699 1 7 . 1 1 58 58 ASP N N 58 120.070 120.070 118.742 1.328 25703 3700 1 7 . 1 1 58 58 ASP HA H 58 4.827 4.827 4.606 0.221 25703 3701 1 7 . 1 1 58 58 ASP C C 58 177.131 177.131 177.849 -0.718 25703 3702 1 7 . 1 1 58 58 ASP CA C 58 57.693 57.693 56.853 0.840 25703 3703 1 7 . 1 1 58 58 ASP CB C 58 40.827 40.827 40.797 0.030 25703 3704 1 7 . 1 1 58 58 ASP H H 58 8.670 8.670 8.458 0.212 25703 3705 1 7 . 1 1 59 59 GLU N N 59 120.889 120.889 118.586 2.303 25703 3706 1 7 . 1 1 59 59 GLU HA H 59 4.358 4.358 4.488 -0.130 25703 3707 1 7 . 1 1 59 59 GLU C C 59 176.606 176.606 177.475 -0.869 25703 3708 1 7 . 1 1 59 59 GLU CA C 59 57.881 57.881 56.566 1.315 25703 3709 1 7 . 1 1 59 59 GLU CB C 59 32.138 32.138 31.563 0.575 25703 3710 1 7 . 1 1 59 59 GLU H H 59 7.616 7.616 7.748 -0.132 25703 3711 1 7 . 1 1 60 60 LEU N N 60 122.457 122.457 121.394 1.063 25703 3712 1 7 . 1 1 60 60 LEU HA H 60 4.916 4.916 4.755 0.161 25703 3713 1 7 . 1 1 60 60 LEU C C 60 176.538 176.538 177.081 -0.543 25703 3714 1 7 . 1 1 60 60 LEU CA C 60 52.864 52.864 53.005 -0.141 25703 3715 1 7 . 1 1 60 60 LEU CB C 60 42.270 42.270 39.754 2.516 25703 3716 1 7 . 1 1 60 60 LEU H H 60 7.690 7.690 8.318 -0.628 25703 3717 1 7 . 1 1 61 61 GLY N N 61 112.065 112.065 109.490 2.575 25703 3718 1 7 . 1 1 61 61 GLY C C 61 175.917 175.917 175.424 0.493 25703 3719 1 7 . 1 1 61 61 GLY CA C 61 48.760 48.760 46.800 1.960 25703 3720 1 7 . 1 1 61 61 GLY H H 61 8.267 8.267 7.821 0.446 25703 3721 1 7 . 1 1 62 62 ASP N N 62 120.904 120.904 121.087 -0.183 25703 3722 1 7 . 1 1 62 62 ASP HA H 62 4.302 4.302 4.376 -0.074 25703 3723 1 7 . 1 1 62 62 ASP C C 62 178.355 178.355 178.075 0.280 25703 3724 1 7 . 1 1 62 62 ASP CA C 62 57.045 57.045 57.909 -0.864 25703 3725 1 7 . 1 1 62 62 ASP CB C 62 39.646 39.646 40.374 -0.728 25703 3726 1 7 . 1 1 62 62 ASP H H 62 9.155 9.155 8.279 0.876 25703 3727 1 7 . 1 1 63 63 VAL N N 63 121.465 121.465 119.166 2.299 25703 3728 1 7 . 1 1 63 63 VAL HA H 63 3.310 3.310 3.758 -0.448 25703 3729 1 7 . 1 1 63 63 VAL C C 63 178.724 178.724 176.576 2.148 25703 3730 1 7 . 1 1 63 63 VAL CA C 63 65.878 65.878 65.183 0.695 25703 3731 1 7 . 1 1 63 63 VAL CB C 63 31.718 31.718 31.810 -0.092 25703 3732 1 7 . 1 1 63 63 VAL H H 63 7.263 7.263 7.670 -0.407 25703 3733 1 7 . 1 1 64 64 ALA N N 64 123.341 123.341 120.937 2.404 25703 3734 1 7 . 1 1 64 64 ALA HA H 64 3.774 3.774 2.902 0.872 25703 3735 1 7 . 1 1 64 64 ALA C C 64 177.984 177.984 179.381 -1.397 25703 3736 1 7 . 1 1 64 64 ALA CA C 64 56.326 56.326 54.665 1.661 25703 3737 1 7 . 1 1 64 64 ALA CB C 64 18.296 18.296 17.664 0.632 25703 3738 1 7 . 1 1 64 64 ALA H H 64 7.248 7.248 7.401 -0.153 25703 3739 1 7 . 1 1 65 65 GLN N N 65 118.749 118.749 117.404 1.345 25703 3740 1 7 . 1 1 65 65 GLN HA H 65 4.013 4.013 3.976 0.037 25703 3741 1 7 . 1 1 65 65 GLN CA C 65 59.524 59.524 58.537 0.987 25703 3742 1 7 . 1 1 65 65 GLN CB C 65 28.802 28.802 28.610 0.192 25703 3743 1 7 . 1 1 65 65 GLN H H 65 8.276 8.276 7.679 0.597 25703 3744 1 7 . 1 1 66 66 LYS N N 66 120.950 120.950 120.503 0.447 25703 3745 1 7 . 1 1 66 66 LYS HA H 66 4.033 4.033 4.070 -0.037 25703 3746 1 7 . 1 1 66 66 LYS C C 66 176.439 176.439 178.090 -1.651 25703 3747 1 7 . 1 1 66 66 LYS CA C 66 59.276 59.276 58.902 0.374 25703 3748 1 7 . 1 1 66 66 LYS CB C 66 32.706 32.706 32.271 0.435 25703 3749 1 7 . 1 1 66 66 LYS H H 66 7.984 7.984 7.790 0.194 25703 3750 1 7 . 1 1 67 67 ASN N N 67 115.512 115.512 115.297 0.215 25703 3751 1 7 . 1 1 67 67 ASN HA H 67 4.698 4.698 4.998 -0.300 25703 3752 1 7 . 1 1 67 67 ASN C C 67 171.075 171.075 173.961 -2.886 25703 3753 1 7 . 1 1 67 67 ASN CA C 67 54.555 54.555 53.440 1.115 25703 3754 1 7 . 1 1 67 67 ASN CB C 67 40.572 40.572 38.908 1.664 25703 3755 1 7 . 1 1 67 67 ASN H H 67 7.052 7.052 7.591 -0.539 25703 3756 1 7 . 1 1 68 68 GLU N N 68 115.540 115.540 115.138 0.402 25703 3757 1 7 . 1 1 68 68 GLU HA H 68 3.724 3.724 3.939 -0.215 25703 3758 1 7 . 1 1 68 68 GLU C C 68 175.135 175.135 175.297 -0.162 25703 3759 1 7 . 1 1 68 68 GLU CA C 68 57.472 57.472 57.001 0.471 25703 3760 1 7 . 1 1 68 68 GLU CB C 68 27.320 27.320 27.234 0.086 25703 3761 1 7 . 1 1 68 68 GLU H H 68 7.708 7.708 7.662 0.046 25703 3762 1 7 . 1 1 69 69 VAL N N 69 121.037 121.037 119.799 1.238 25703 3763 1 7 . 1 1 69 69 VAL HA H 69 3.891 3.891 3.912 -0.021 25703 3764 1 7 . 1 1 69 69 VAL C C 69 174.845 174.845 175.919 -1.074 25703 3765 1 7 . 1 1 69 69 VAL CA C 69 63.315 63.315 63.827 -0.512 25703 3766 1 7 . 1 1 69 69 VAL CB C 69 31.259 31.259 31.321 -0.062 25703 3767 1 7 . 1 1 69 69 VAL H H 69 7.786 7.786 8.254 -0.468 25703 3768 1 7 . 1 1 70 70 SER N N 70 123.071 123.071 122.719 0.352 25703 3769 1 7 . 1 1 70 70 SER HA H 70 4.453 4.453 4.581 -0.128 25703 3770 1 7 . 1 1 70 70 SER C C 70 172.450 172.450 174.169 -1.719 25703 3771 1 7 . 1 1 70 70 SER CA C 70 58.194 58.194 58.084 0.110 25703 3772 1 7 . 1 1 70 70 SER CB C 70 65.148 65.148 64.258 0.890 25703 3773 1 7 . 1 1 70 70 SER H H 70 8.556 8.556 8.350 0.206 25703 3774 1 7 . 1 1 71 71 ALA N N 71 127.000 127.000 127.068 -0.068 25703 3775 1 7 . 1 1 71 71 ALA HA H 71 4.554 4.554 4.731 -0.177 25703 3776 1 7 . 1 1 71 71 ALA C C 71 175.018 175.018 175.439 -0.421 25703 3777 1 7 . 1 1 71 71 ALA CA C 71 51.898 51.898 51.464 0.434 25703 3778 1 7 . 1 1 71 71 ALA CB C 71 21.560 21.560 20.593 0.967 25703 3779 1 7 . 1 1 71 71 ALA H H 71 7.884 7.884 8.104 -0.220 25703 3780 1 7 . 1 1 72 72 MET N N 72 120.240 120.240 122.280 -2.040 25703 3781 1 7 . 1 1 72 72 MET HA H 72 4.827 4.827 5.256 -0.429 25703 3782 1 7 . 1 1 72 72 MET CA C 72 57.888 57.888 51.675 6.213 25703 3783 1 7 . 1 1 72 72 MET CB C 72 36.102 36.102 32.064 4.038 25703 3784 1 7 . 1 1 72 72 MET H H 72 8.664 8.664 8.428 0.236 25703 3785 1 7 . 1 1 73 73 PRO HA H 73 4.988 4.988 4.935 0.053 25703 3786 1 7 . 1 1 73 73 PRO C C 73 175.162 175.162 176.274 -1.112 25703 3787 1 7 . 1 1 73 73 PRO CA C 73 64.042 64.042 62.638 1.404 25703 3788 1 7 . 1 1 73 73 PRO CB C 73 35.151 35.151 33.059 2.092 25703 3789 1 7 . 1 1 74 74 THR N N 74 114.942 114.942 114.743 0.199 25703 3790 1 7 . 1 1 74 74 THR HA H 74 4.995 4.995 4.698 0.297 25703 3791 1 7 . 1 1 74 74 THR C C 74 170.891 170.891 173.620 -2.729 25703 3792 1 7 . 1 1 74 74 THR CA C 74 63.926 63.926 62.346 1.580 25703 3793 1 7 . 1 1 74 74 THR CB C 74 73.856 73.856 70.964 2.892 25703 3794 1 7 . 1 1 74 74 THR H H 74 7.490 7.490 8.429 -0.939 25703 3795 1 7 . 1 1 75 75 LEU N N 75 132.149 132.149 129.685 2.464 25703 3796 1 7 . 1 1 75 75 LEU HA H 75 5.493 5.493 5.155 0.338 25703 3797 1 7 . 1 1 75 75 LEU C C 75 174.331 174.331 174.926 -0.595 25703 3798 1 7 . 1 1 75 75 LEU CA C 75 53.852 53.852 53.987 -0.135 25703 3799 1 7 . 1 1 75 75 LEU CB C 75 45.160 45.160 43.419 1.741 25703 3800 1 7 . 1 1 75 75 LEU H H 75 9.427 9.427 8.582 0.845 25703 3801 1 7 . 1 1 76 76 LEU N N 76 124.814 124.814 125.102 -0.288 25703 3802 1 7 . 1 1 76 76 LEU HA H 76 4.932 4.932 4.823 0.109 25703 3803 1 7 . 1 1 76 76 LEU C C 76 173.732 173.732 175.722 -1.990 25703 3804 1 7 . 1 1 76 76 LEU CA C 76 54.032 54.032 53.679 0.353 25703 3805 1 7 . 1 1 76 76 LEU CB C 76 46.726 46.726 43.717 3.009 25703 3806 1 7 . 1 1 76 76 LEU H H 76 9.240 9.240 8.985 0.255 25703 3807 1 7 . 1 1 77 77 LEU N N 77 123.770 123.770 121.653 2.117 25703 3808 1 7 . 1 1 77 77 LEU HA H 77 5.251 5.251 5.183 0.068 25703 3809 1 7 . 1 1 77 77 LEU C C 77 174.442 174.442 176.287 -1.845 25703 3810 1 7 . 1 1 77 77 LEU CA C 77 55.087 55.087 53.956 1.131 25703 3811 1 7 . 1 1 77 77 LEU CB C 77 43.250 43.250 42.188 1.062 25703 3812 1 7 . 1 1 77 77 LEU H H 77 8.175 8.175 7.960 0.215 25703 3813 1 7 . 1 1 78 78 PHE N N 78 122.975 122.975 123.684 -0.709 25703 3814 1 7 . 1 1 78 78 PHE HA H 78 5.397 5.397 4.868 0.529 25703 3815 1 7 . 1 1 78 78 PHE C C 78 173.920 173.920 174.838 -0.918 25703 3816 1 7 . 1 1 78 78 PHE CA C 78 56.867 56.867 57.187 -0.320 25703 3817 1 7 . 1 1 78 78 PHE CB C 78 44.858 44.858 42.814 2.044 25703 3818 1 7 . 1 1 78 78 PHE H H 78 9.742 9.742 9.418 0.324 25703 3819 1 7 . 1 1 79 79 LYS N N 79 118.164 118.164 121.394 -3.230 25703 3820 1 7 . 1 1 79 79 LYS HA H 79 4.817 4.817 5.081 -0.264 25703 3821 1 7 . 1 1 79 79 LYS C C 79 177.194 177.194 176.191 1.003 25703 3822 1 7 . 1 1 79 79 LYS CA C 79 57.980 57.980 54.913 3.067 25703 3823 1 7 . 1 1 79 79 LYS CB C 79 37.031 37.031 35.306 1.726 25703 3824 1 7 . 1 1 79 79 LYS H H 79 8.745 8.745 8.569 0.176 25703 3825 1 7 . 1 1 80 80 ASN N N 80 126.660 126.660 124.712 1.948 25703 3826 1 7 . 1 1 80 80 ASN HA H 80 4.291 4.291 4.393 -0.102 25703 3827 1 7 . 1 1 80 80 ASN C C 80 174.868 174.868 175.983 -1.115 25703 3828 1 7 . 1 1 80 80 ASN CA C 80 54.925 54.925 54.030 0.895 25703 3829 1 7 . 1 1 80 80 ASN CB C 80 38.055 38.055 36.490 1.565 25703 3830 1 7 . 1 1 80 80 ASN H H 80 8.893 8.893 9.293 -0.400 25703 3831 1 7 . 1 1 81 81 GLY N N 81 103.991 103.991 106.066 -2.075 25703 3832 1 7 . 1 1 81 81 GLY C C 81 172.724 172.724 174.307 -1.583 25703 3833 1 7 . 1 1 81 81 GLY CA C 81 46.145 46.145 45.736 0.409 25703 3834 1 7 . 1 1 81 81 GLY H H 81 8.639 8.639 8.851 -0.212 25703 3835 1 7 . 1 1 82 82 LYS N N 82 120.266 120.266 119.743 0.523 25703 3836 1 7 . 1 1 82 82 LYS HA H 82 4.937 4.937 4.436 0.501 25703 3837 1 7 . 1 1 82 82 LYS C C 82 174.364 174.364 175.754 -1.390 25703 3838 1 7 . 1 1 82 82 LYS CA C 82 55.602 55.602 55.604 -0.002 25703 3839 1 7 . 1 1 82 82 LYS CB C 82 35.830 35.830 33.755 2.075 25703 3840 1 7 . 1 1 82 82 LYS H H 82 7.576 7.576 8.231 -0.655 25703 3841 1 7 . 1 1 83 83 GLU N N 83 126.445 126.445 116.131 10.314 25703 3842 1 7 . 1 1 83 83 GLU HA H 83 3.867 3.867 3.657 0.210 25703 3843 1 7 . 1 1 83 83 GLU C C 83 176.728 176.728 174.529 2.199 25703 3844 1 7 . 1 1 83 83 GLU CA C 83 57.345 57.345 57.476 -0.131 25703 3845 1 7 . 1 1 83 83 GLU CB C 83 30.927 30.927 28.995 1.931 25703 3846 1 7 . 1 1 83 83 GLU H H 83 8.819 8.819 7.966 0.853 25703 3847 1 7 . 1 1 84 84 VAL N N 84 123.147 123.147 118.094 5.053 25703 3848 1 7 . 1 1 84 84 VAL HA H 84 4.417 4.417 4.187 0.230 25703 3849 1 7 . 1 1 84 84 VAL C C 84 175.128 175.128 173.946 1.182 25703 3850 1 7 . 1 1 84 84 VAL CA C 84 61.453 61.453 62.012 -0.559 25703 3851 1 7 . 1 1 84 84 VAL CB C 84 33.692 33.692 34.427 -0.735 25703 3852 1 7 . 1 1 84 84 VAL H H 84 9.258 9.258 8.249 1.009 25703 3853 1 7 . 1 1 85 85 ALA N N 85 122.281 122.281 121.717 0.564 25703 3854 1 7 . 1 1 85 85 ALA HA H 85 4.414 4.414 4.592 -0.178 25703 3855 1 7 . 1 1 85 85 ALA C C 85 173.291 173.291 174.693 -1.402 25703 3856 1 7 . 1 1 85 85 ALA CA C 85 53.133 53.133 51.662 1.471 25703 3857 1 7 . 1 1 85 85 ALA CB C 85 22.544 22.544 21.740 0.804 25703 3858 1 7 . 1 1 85 85 ALA H H 85 7.573 7.573 7.590 -0.017 25703 3859 1 7 . 1 1 86 86 LYS N N 86 120.704 120.704 120.888 -0.184 25703 3860 1 7 . 1 1 86 86 LYS HA H 86 4.933 4.933 4.491 0.442 25703 3861 1 7 . 1 1 86 86 LYS C C 86 174.506 174.506 174.398 0.108 25703 3862 1 7 . 1 1 86 86 LYS CA C 86 55.860 55.860 56.047 -0.188 25703 3863 1 7 . 1 1 86 86 LYS CB C 86 35.979 35.979 34.742 1.237 25703 3864 1 7 . 1 1 86 86 LYS H H 86 8.014 8.014 8.404 -0.390 25703 3865 1 7 . 1 1 87 87 VAL N N 87 126.817 126.817 126.876 -0.059 25703 3866 1 7 . 1 1 87 87 VAL HA H 87 4.276 4.276 4.438 -0.162 25703 3867 1 7 . 1 1 87 87 VAL C C 87 174.002 174.002 174.163 -0.161 25703 3868 1 7 . 1 1 87 87 VAL CA C 87 62.070 62.070 60.006 2.064 25703 3869 1 7 . 1 1 87 87 VAL CB C 87 34.958 34.958 34.610 0.348 25703 3870 1 7 . 1 1 87 87 VAL H H 87 9.186 9.186 9.057 0.129 25703 3871 1 7 . 1 1 88 88 VAL N N 88 129.683 129.683 124.666 5.017 25703 3872 1 7 . 1 1 88 88 VAL HA H 88 4.446 4.446 4.364 0.082 25703 3873 1 7 . 1 1 88 88 VAL C C 88 175.594 175.594 175.212 0.382 25703 3874 1 7 . 1 1 88 88 VAL CA C 88 62.462 62.462 61.276 1.186 25703 3875 1 7 . 1 1 88 88 VAL CB C 88 33.275 33.275 31.471 1.804 25703 3876 1 7 . 1 1 88 88 VAL H H 88 9.026 9.026 8.479 0.547 25703 3877 1 7 . 1 1 89 89 GLY N N 89 114.918 114.918 112.779 2.139 25703 3878 1 7 . 1 1 89 89 GLY CA C 89 44.014 44.014 45.516 -1.502 25703 3879 1 7 . 1 1 89 89 GLY H H 89 8.298 8.298 7.649 0.649 25703 3880 1 7 . 1 1 90 90 ALA HA H 90 4.227 4.227 4.210 0.017 25703 3881 1 7 . 1 1 90 90 ALA C C 90 174.279 174.279 176.661 -2.382 25703 3882 1 7 . 1 1 90 90 ALA CA C 90 50.915 50.915 52.187 -1.272 25703 3883 1 7 . 1 1 90 90 ALA CB C 90 18.480 18.480 17.892 0.588 25703 3884 1 7 . 1 1 91 91 ASN N N 91 121.022 121.022 122.053 -1.031 25703 3885 1 7 . 1 1 91 91 ASN HA H 91 5.114 5.114 4.973 0.141 25703 3886 1 7 . 1 1 91 91 ASN CA C 91 50.500 50.500 50.394 0.106 25703 3887 1 7 . 1 1 91 91 ASN CB C 91 39.514 39.514 38.796 0.718 25703 3888 1 7 . 1 1 91 91 ASN H H 91 7.360 7.360 7.944 -0.584 25703 3889 1 7 . 1 1 92 92 PRO HA H 92 4.116 4.116 4.132 -0.016 25703 3890 1 7 . 1 1 92 92 PRO CA C 92 63.392 63.392 64.244 -0.852 25703 3891 1 7 . 1 1 93 93 ALA HA H 93 4.074 4.074 4.246 -0.172 25703 3892 1 7 . 1 1 93 93 ALA C C 93 179.673 179.673 178.937 0.736 25703 3893 1 7 . 1 1 93 93 ALA CA C 93 55.353 55.353 53.653 1.700 25703 3894 1 7 . 1 1 93 93 ALA CB C 93 18.455 18.455 18.494 -0.039 25703 3895 1 7 . 1 1 94 94 ALA N N 94 121.514 121.514 120.695 0.819 25703 3896 1 7 . 1 1 94 94 ALA HA H 94 4.064 4.064 4.112 -0.048 25703 3897 1 7 . 1 1 94 94 ALA C C 94 180.373 180.373 179.079 1.294 25703 3898 1 7 . 1 1 94 94 ALA CA C 94 55.418 55.418 54.094 1.324 25703 3899 1 7 . 1 1 94 94 ALA CB C 94 19.268 19.268 18.178 1.090 25703 3900 1 7 . 1 1 94 94 ALA H H 94 7.228 7.228 8.049 -0.821 25703 3901 1 7 . 1 1 95 95 ILE N N 95 120.330 120.330 119.663 0.667 25703 3902 1 7 . 1 1 95 95 ILE HA H 95 3.358 3.358 3.658 -0.300 25703 3903 1 7 . 1 1 95 95 ILE C C 95 175.639 175.639 176.874 -1.235 25703 3904 1 7 . 1 1 95 95 ILE CA C 95 66.564 66.564 62.556 4.008 25703 3905 1 7 . 1 1 95 95 ILE CB C 95 38.854 38.854 37.762 1.092 25703 3906 1 7 . 1 1 95 95 ILE H H 95 7.738 7.738 7.518 0.220 25703 3907 1 7 . 1 1 96 96 LYS N N 96 119.846 119.846 118.842 1.004 25703 3908 1 7 . 1 1 96 96 LYS HA H 96 3.144 3.144 4.027 -0.883 25703 3909 1 7 . 1 1 96 96 LYS C C 96 177.288 177.288 179.199 -1.911 25703 3910 1 7 . 1 1 96 96 LYS CA C 96 60.420 60.420 59.122 1.298 25703 3911 1 7 . 1 1 96 96 LYS CB C 96 32.612 32.612 31.450 1.163 25703 3912 1 7 . 1 1 96 96 LYS H H 96 8.087 8.087 7.900 0.187 25703 3913 1 7 . 1 1 97 97 GLN N N 97 116.484 116.484 119.535 -3.051 25703 3914 1 7 . 1 1 97 97 GLN HA H 97 3.848 3.848 4.059 -0.211 25703 3915 1 7 . 1 1 97 97 GLN C C 97 177.461 177.461 178.087 -0.626 25703 3916 1 7 . 1 1 97 97 GLN CA C 97 59.069 59.069 58.984 0.085 25703 3917 1 7 . 1 1 97 97 GLN CB C 97 28.799 28.799 28.331 0.468 25703 3918 1 7 . 1 1 97 97 GLN H H 97 7.700 7.700 7.697 0.003 25703 3919 1 7 . 1 1 98 98 ALA N N 98 121.852 121.852 121.065 0.787 25703 3920 1 7 . 1 1 98 98 ALA HA H 98 3.921 3.921 4.134 -0.213 25703 3921 1 7 . 1 1 98 98 ALA C C 98 174.452 174.452 179.579 -5.127 25703 3922 1 7 . 1 1 98 98 ALA CA C 98 55.207 55.207 54.681 0.526 25703 3923 1 7 . 1 1 98 98 ALA CB C 98 18.356 18.356 18.612 -0.256 25703 3924 1 7 . 1 1 98 98 ALA H H 98 7.456 7.456 7.530 -0.074 25703 3925 1 7 . 1 1 99 99 ILE N N 99 118.810 118.810 118.270 0.540 25703 3926 1 7 . 1 1 99 99 ILE HA H 99 3.037 3.037 3.862 -0.825 25703 3927 1 7 . 1 1 99 99 ILE C C 99 176.476 176.476 177.236 -0.760 25703 3928 1 7 . 1 1 99 99 ILE CA C 99 65.925 65.925 62.934 2.991 25703 3929 1 7 . 1 1 99 99 ILE CB C 99 38.622 38.622 37.494 1.128 25703 3930 1 7 . 1 1 99 99 ILE H H 99 7.692 7.692 8.443 -0.751 25703 3931 1 7 . 1 1 100 100 ALA N N 100 120.478 120.478 122.039 -1.561 25703 3932 1 7 . 1 1 100 100 ALA HA H 100 3.713 3.713 4.249 -0.536 25703 3933 1 7 . 1 1 100 100 ALA C C 100 179.910 179.910 178.481 1.429 25703 3934 1 7 . 1 1 100 100 ALA CA C 100 55.491 55.491 53.585 1.906 25703 3935 1 7 . 1 1 100 100 ALA CB C 100 18.656 18.656 19.395 -0.739 25703 3936 1 7 . 1 1 100 100 ALA H H 100 8.164 8.164 8.137 0.027 25703 3937 1 7 . 1 1 101 101 ALA N N 101 116.616 116.616 120.953 -4.337 25703 3938 1 7 . 1 1 101 101 ALA HA H 101 4.084 4.084 4.091 -0.007 25703 3939 1 7 . 1 1 101 101 ALA C C 101 177.705 177.705 178.834 -1.129 25703 3940 1 7 . 1 1 101 101 ALA CA C 101 54.113 54.113 54.340 -0.228 25703 3941 1 7 . 1 1 101 101 ALA CB C 101 19.576 19.576 19.302 0.274 25703 3942 1 7 . 1 1 101 101 ALA H H 101 7.649 7.649 7.918 -0.269 25703 3943 1 7 . 1 1 102 102 ASN N N 102 114.293 114.293 115.816 -1.523 25703 3944 1 7 . 1 1 102 102 ASN HA H 102 4.753 4.753 4.817 -0.064 25703 3945 1 7 . 1 1 102 102 ASN C C 102 172.210 172.210 176.290 -4.080 25703 3946 1 7 . 1 1 102 102 ASN CA C 102 54.809 54.809 53.361 1.448 25703 3947 1 7 . 1 1 102 102 ASN CB C 102 43.388 43.388 39.499 3.889 25703 3948 1 7 . 1 1 102 102 ASN H H 102 7.110 7.110 7.796 -0.686 25703 3949 1 8 . 1 1 2 2 VAL N N 2 125.982 125.982 127.071 -1.089 25703 3950 1 8 . 1 1 2 2 VAL HA H 2 4.054 4.054 4.443 -0.389 25703 3951 1 8 . 1 1 2 2 VAL CA C 2 61.397 61.397 61.093 0.304 25703 3952 1 8 . 1 1 2 2 VAL CB C 2 32.844 32.844 32.792 0.052 25703 3953 1 8 . 1 1 2 2 VAL H H 2 8.576 8.576 8.277 0.299 25703 3954 1 8 . 1 1 3 3 THR N N 3 126.926 126.926 122.496 4.430 25703 3955 1 8 . 1 1 3 3 THR HA H 3 4.120 4.120 4.395 -0.275 25703 3956 1 8 . 1 1 3 3 THR C C 3 172.671 172.671 173.465 -0.794 25703 3957 1 8 . 1 1 3 3 THR CA C 3 64.010 64.010 63.243 0.767 25703 3958 1 8 . 1 1 3 3 THR CB C 3 70.030 70.030 70.259 -0.229 25703 3959 1 8 . 1 1 3 3 THR H H 3 7.787 7.787 8.371 -0.584 25703 3960 1 8 . 1 1 4 4 GLN N N 4 128.743 128.743 123.315 5.428 25703 3961 1 8 . 1 1 4 4 GLN HA H 4 4.726 4.726 4.708 0.018 25703 3962 1 8 . 1 1 4 4 GLN C C 4 176.254 176.254 174.993 1.261 25703 3963 1 8 . 1 1 4 4 GLN CA C 4 54.925 54.925 54.193 0.732 25703 3964 1 8 . 1 1 4 4 GLN CB C 4 30.039 30.039 30.014 0.025 25703 3965 1 8 . 1 1 4 4 GLN H H 4 8.976 8.976 8.330 0.646 25703 3966 1 8 . 1 1 5 5 PHE N N 5 127.295 127.295 123.591 3.704 25703 3967 1 8 . 1 1 5 5 PHE HA H 5 4.793 4.793 4.528 0.265 25703 3968 1 8 . 1 1 5 5 PHE C C 5 175.627 175.627 176.478 -0.851 25703 3969 1 8 . 1 1 5 5 PHE CA C 5 59.080 59.080 56.229 2.851 25703 3970 1 8 . 1 1 5 5 PHE CB C 5 41.083 41.083 41.633 -0.550 25703 3971 1 8 . 1 1 5 5 PHE H H 5 8.434 8.434 8.112 0.322 25703 3972 1 8 . 1 1 6 6 LYS N N 6 120.464 120.464 115.789 4.675 25703 3973 1 8 . 1 1 6 6 LYS HA H 6 4.623 4.623 4.488 0.135 25703 3974 1 8 . 1 1 6 6 LYS C C 6 176.504 176.504 175.659 0.845 25703 3975 1 8 . 1 1 6 6 LYS CA C 6 56.526 56.526 55.995 0.531 25703 3976 1 8 . 1 1 6 6 LYS CB C 6 34.660 34.660 34.128 0.532 25703 3977 1 8 . 1 1 6 6 LYS H H 6 9.821 9.821 8.518 1.303 25703 3978 1 8 . 1 1 7 7 THR N N 7 108.286 108.286 109.937 -1.651 25703 3979 1 8 . 1 1 7 7 THR HA H 7 4.738 4.738 4.637 0.101 25703 3980 1 8 . 1 1 7 7 THR C C 7 173.410 173.410 174.861 -1.451 25703 3981 1 8 . 1 1 7 7 THR CA C 7 59.287 59.287 60.370 -1.083 25703 3982 1 8 . 1 1 7 7 THR CB C 7 73.138 73.138 72.172 0.966 25703 3983 1 8 . 1 1 7 7 THR H H 7 7.467 7.467 7.462 0.005 25703 3984 1 8 . 1 1 8 8 ALA N N 8 125.007 125.007 125.461 -0.454 25703 3985 1 8 . 1 1 8 8 ALA HA H 8 3.705 3.705 4.104 -0.399 25703 3986 1 8 . 1 1 8 8 ALA C C 8 178.859 178.859 179.884 -1.025 25703 3987 1 8 . 1 1 8 8 ALA CA C 8 55.453 55.453 55.296 0.157 25703 3988 1 8 . 1 1 8 8 ALA CB C 8 18.689 18.689 18.273 0.416 25703 3989 1 8 . 1 1 8 8 ALA H H 8 9.038 9.038 8.867 0.171 25703 3990 1 8 . 1 1 9 9 SER N N 9 113.408 113.408 114.040 -0.632 25703 3991 1 8 . 1 1 9 9 SER HA H 9 4.124 4.124 4.176 -0.052 25703 3992 1 8 . 1 1 9 9 SER C C 9 176.575 176.575 176.745 -0.170 25703 3993 1 8 . 1 1 9 9 SER CA C 9 61.528 61.528 61.376 0.152 25703 3994 1 8 . 1 1 9 9 SER CB C 9 62.703 62.703 62.495 0.208 25703 3995 1 8 . 1 1 9 9 SER H H 9 8.159 8.159 8.379 -0.220 25703 3996 1 8 . 1 1 10 10 GLU N N 10 123.005 123.005 121.021 1.984 25703 3997 1 8 . 1 1 10 10 GLU HA H 10 3.853 3.853 3.699 0.154 25703 3998 1 8 . 1 1 10 10 GLU C C 10 178.294 178.294 178.397 -0.103 25703 3999 1 8 . 1 1 10 10 GLU CA C 10 59.266 59.266 58.733 0.533 25703 4000 1 8 . 1 1 10 10 GLU CB C 10 31.536 31.536 28.792 2.744 25703 4001 1 8 . 1 1 10 10 GLU H H 10 7.552 7.552 7.739 -0.187 25703 4002 1 8 . 1 1 11 11 PHE N N 11 121.633 121.633 119.996 1.637 25703 4003 1 8 . 1 1 11 11 PHE HA H 11 2.864 2.864 3.757 -0.893 25703 4004 1 8 . 1 1 11 11 PHE C C 11 176.786 176.786 176.859 -0.073 25703 4005 1 8 . 1 1 11 11 PHE CA C 11 61.182 61.182 60.921 0.261 25703 4006 1 8 . 1 1 11 11 PHE CB C 11 38.202 38.202 39.184 -0.982 25703 4007 1 8 . 1 1 11 11 PHE H H 11 6.632 6.632 7.558 -0.926 25703 4008 1 8 . 1 1 12 12 ASP N N 12 118.991 118.991 119.331 -0.340 25703 4009 1 8 . 1 1 12 12 ASP HA H 12 3.841 3.841 3.733 0.108 25703 4010 1 8 . 1 1 12 12 ASP C C 12 178.286 178.286 178.486 -0.200 25703 4011 1 8 . 1 1 12 12 ASP CA C 12 57.547 57.547 57.465 0.082 25703 4012 1 8 . 1 1 12 12 ASP CB C 12 40.790 40.790 40.635 0.155 25703 4013 1 8 . 1 1 12 12 ASP H H 12 7.687 7.687 8.509 -0.822 25703 4014 1 8 . 1 1 13 13 SER N N 13 112.966 112.966 114.322 -1.356 25703 4015 1 8 . 1 1 13 13 SER HA H 13 4.022 4.022 4.139 -0.117 25703 4016 1 8 . 1 1 13 13 SER C C 13 175.827 175.827 175.582 0.245 25703 4017 1 8 . 1 1 13 13 SER CA C 13 61.410 61.410 60.752 0.658 25703 4018 1 8 . 1 1 13 13 SER CB C 13 63.499 63.499 63.226 0.273 25703 4019 1 8 . 1 1 13 13 SER H H 13 7.563 7.563 8.096 -0.533 25703 4020 1 8 . 1 1 14 14 ALA N N 14 124.823 124.823 122.405 2.418 25703 4021 1 8 . 1 1 14 14 ALA HA H 14 4.025 4.025 4.466 -0.441 25703 4022 1 8 . 1 1 14 14 ALA C C 14 179.909 179.909 179.931 -0.022 25703 4023 1 8 . 1 1 14 14 ALA CA C 14 54.710 54.710 54.282 0.428 25703 4024 1 8 . 1 1 14 14 ALA CB C 14 19.286 19.286 19.118 0.168 25703 4025 1 8 . 1 1 14 14 ALA H H 14 7.671 7.671 7.084 0.587 25703 4026 1 8 . 1 1 15 15 ILE N N 15 108.002 108.002 115.008 -7.006 25703 4027 1 8 . 1 1 15 15 ILE HA H 15 3.721 3.721 3.791 -0.070 25703 4028 1 8 . 1 1 15 15 ILE C C 15 175.512 175.512 176.955 -1.443 25703 4029 1 8 . 1 1 15 15 ILE CA C 15 64.058 64.058 64.076 -0.018 25703 4030 1 8 . 1 1 15 15 ILE CB C 15 38.277 38.277 37.075 1.202 25703 4031 1 8 . 1 1 15 15 ILE H H 15 7.195 7.195 8.177 -0.982 25703 4032 1 8 . 1 1 16 16 ALA N N 16 123.051 123.051 120.848 2.203 25703 4033 1 8 . 1 1 16 16 ALA HA H 16 4.013 4.013 4.275 -0.262 25703 4034 1 8 . 1 1 16 16 ALA C C 16 176.636 176.636 178.081 -1.445 25703 4035 1 8 . 1 1 16 16 ALA CA C 16 52.318 52.318 52.569 -0.251 25703 4036 1 8 . 1 1 16 16 ALA CB C 16 18.956 18.956 18.558 0.398 25703 4037 1 8 . 1 1 16 16 ALA H H 16 6.623 6.623 7.456 -0.833 25703 4038 1 8 . 1 1 17 17 GLN N N 17 116.236 116.236 119.263 -3.027 25703 4039 1 8 . 1 1 17 17 GLN HA H 17 4.198 4.198 4.232 -0.034 25703 4040 1 8 . 1 1 17 17 GLN C C 17 174.965 174.965 174.912 0.053 25703 4041 1 8 . 1 1 17 17 GLN CA C 17 56.422 56.422 55.254 1.168 25703 4042 1 8 . 1 1 17 17 GLN CB C 17 34.338 34.338 29.440 4.898 25703 4043 1 8 . 1 1 17 17 GLN H H 17 7.140 7.140 7.591 -0.451 25703 4044 1 8 . 1 1 18 18 ASP N N 18 123.905 123.905 121.501 2.404 25703 4045 1 8 . 1 1 18 18 ASP HA H 18 4.998 4.998 4.872 0.126 25703 4046 1 8 . 1 1 18 18 ASP C C 18 174.817 174.817 175.531 -0.714 25703 4047 1 8 . 1 1 18 18 ASP CB C 18 39.414 39.414 40.276 -0.862 25703 4048 1 8 . 1 1 18 18 ASP H H 18 8.651 8.651 8.643 0.008 25703 4049 1 8 . 1 1 19 19 LYS N N 19 119.499 119.499 118.238 1.261 25703 4050 1 8 . 1 1 19 19 LYS HA H 19 4.384 4.384 4.544 -0.160 25703 4051 1 8 . 1 1 19 19 LYS C C 19 172.740 172.740 174.715 -1.975 25703 4052 1 8 . 1 1 19 19 LYS CA C 19 55.163 55.163 53.803 1.360 25703 4053 1 8 . 1 1 19 19 LYS CB C 19 34.721 34.721 35.630 -0.909 25703 4054 1 8 . 1 1 19 19 LYS H H 19 7.950 7.950 7.715 0.235 25703 4055 1 8 . 1 1 20 20 LEU N N 20 121.877 121.877 125.005 -3.128 25703 4056 1 8 . 1 1 20 20 LEU HA H 20 4.972 4.972 4.669 0.303 25703 4057 1 8 . 1 1 20 20 LEU C C 20 173.937 173.937 175.413 -1.476 25703 4058 1 8 . 1 1 20 20 LEU CA C 20 57.132 57.132 54.553 2.579 25703 4059 1 8 . 1 1 20 20 LEU CB C 20 42.012 42.012 41.398 0.614 25703 4060 1 8 . 1 1 20 20 LEU H H 20 8.641 8.641 8.791 -0.150 25703 4061 1 8 . 1 1 21 21 VAL N N 21 129.812 129.812 128.719 1.093 25703 4062 1 8 . 1 1 21 21 VAL HA H 21 4.439 4.439 4.492 -0.053 25703 4063 1 8 . 1 1 21 21 VAL C C 21 173.493 173.493 174.445 -0.952 25703 4064 1 8 . 1 1 21 21 VAL CA C 21 62.510 62.510 61.537 0.973 25703 4065 1 8 . 1 1 21 21 VAL CB C 21 34.732 34.732 33.149 1.583 25703 4066 1 8 . 1 1 21 21 VAL H H 21 9.263 9.263 9.020 0.243 25703 4067 1 8 . 1 1 22 22 VAL N N 22 131.684 131.684 129.545 2.139 25703 4068 1 8 . 1 1 22 22 VAL HA H 22 4.408 4.408 4.871 -0.463 25703 4069 1 8 . 1 1 22 22 VAL C C 22 174.331 174.331 173.870 0.461 25703 4070 1 8 . 1 1 22 22 VAL CA C 22 61.561 61.561 59.931 1.631 25703 4071 1 8 . 1 1 22 22 VAL CB C 22 33.630 33.630 32.685 0.945 25703 4072 1 8 . 1 1 22 22 VAL H H 22 9.006 9.006 8.968 0.038 25703 4073 1 8 . 1 1 23 23 VAL N N 23 126.475 126.475 130.439 -3.964 25703 4074 1 8 . 1 1 23 23 VAL HA H 23 4.422 4.422 5.206 -0.784 25703 4075 1 8 . 1 1 23 23 VAL C C 23 174.342 174.342 174.168 0.174 25703 4076 1 8 . 1 1 23 23 VAL CA C 23 61.672 61.672 60.107 1.565 25703 4077 1 8 . 1 1 23 23 VAL CB C 23 34.042 34.042 34.494 -0.452 25703 4078 1 8 . 1 1 23 23 VAL H H 23 9.551 9.551 8.898 0.653 25703 4079 1 8 . 1 1 24 24 ALA N N 24 131.649 131.649 128.199 3.450 25703 4080 1 8 . 1 1 24 24 ALA HA H 24 4.953 4.953 5.465 -0.512 25703 4081 1 8 . 1 1 24 24 ALA C C 24 174.683 174.683 176.778 -2.095 25703 4082 1 8 . 1 1 24 24 ALA CA C 24 51.712 51.712 49.735 1.977 25703 4083 1 8 . 1 1 24 24 ALA CB C 24 20.149 20.149 21.588 -1.439 25703 4084 1 8 . 1 1 24 24 ALA H H 24 8.991 8.991 8.496 0.495 25703 4085 1 8 . 1 1 25 25 PHE N N 25 124.535 124.535 125.848 -1.313 25703 4086 1 8 . 1 1 25 25 PHE HA H 25 5.002 5.002 4.817 0.185 25703 4087 1 8 . 1 1 25 25 PHE C C 25 174.231 174.231 174.195 0.036 25703 4088 1 8 . 1 1 25 25 PHE CA C 25 58.196 58.196 58.245 -0.049 25703 4089 1 8 . 1 1 25 25 PHE CB C 25 40.231 40.231 38.093 2.138 25703 4090 1 8 . 1 1 25 25 PHE H H 25 9.231 9.231 8.479 0.752 25703 4091 1 8 . 1 1 26 26 TYR N N 26 121.986 121.986 123.533 -1.547 25703 4092 1 8 . 1 1 26 26 TYR HA H 26 5.112 5.112 4.702 0.410 25703 4093 1 8 . 1 1 26 26 TYR C C 26 170.727 170.727 173.902 -3.175 25703 4094 1 8 . 1 1 26 26 TYR CA C 26 55.240 55.240 56.838 -1.598 25703 4095 1 8 . 1 1 26 26 TYR CB C 26 43.023 43.023 43.834 -0.811 25703 4096 1 8 . 1 1 26 26 TYR H H 26 8.869 8.869 8.961 -0.092 25703 4097 1 8 . 1 1 27 27 ALA N N 27 117.474 117.474 120.447 -2.973 25703 4098 1 8 . 1 1 27 27 ALA HA H 27 4.329 4.329 4.330 -0.001 25703 4099 1 8 . 1 1 27 27 ALA C C 27 178.755 178.755 176.016 2.739 25703 4100 1 8 . 1 1 27 27 ALA CA C 27 50.966 50.966 51.266 -0.300 25703 4101 1 8 . 1 1 27 27 ALA CB C 27 22.735 22.735 20.535 2.200 25703 4102 1 8 . 1 1 27 27 ALA H H 27 6.235 6.235 8.118 -1.883 25703 4103 1 8 . 1 1 28 28 THR N N 28 119.624 119.624 110.148 9.476 25703 4104 1 8 . 1 1 28 28 THR HA H 28 3.907 3.907 4.137 -0.230 25703 4105 1 8 . 1 1 28 28 THR C C 28 174.360 174.360 174.305 0.055 25703 4106 1 8 . 1 1 28 28 THR CA C 28 65.865 65.865 63.335 2.530 25703 4107 1 8 . 1 1 28 28 THR CB C 28 69.336 69.336 69.008 0.328 25703 4108 1 8 . 1 1 28 28 THR H H 28 10.381 10.381 8.054 2.327 25703 4109 1 8 . 1 1 29 29 TRP N N 29 115.983 115.983 119.283 -3.300 25703 4110 1 8 . 1 1 29 29 TRP HA H 29 4.590 4.590 5.051 -0.461 25703 4111 1 8 . 1 1 29 29 TRP CA C 29 53.924 53.924 53.303 0.621 25703 4112 1 8 . 1 1 29 29 TRP CB C 29 29.460 29.460 27.719 1.741 25703 4113 1 8 . 1 1 29 29 TRP H H 29 6.472 6.472 6.582 -0.110 25703 4114 1 8 . 1 1 30 30 CYS HA H 30 3.857 3.857 4.973 -1.116 25703 4115 1 8 . 1 1 30 30 CYS CA C 30 58.536 58.536 57.388 1.148 25703 4116 1 8 . 1 1 30 30 CYS CB C 30 37.005 37.005 30.090 6.915 25703 4117 1 8 . 1 1 31 31 GLY CA C 31 48.989 48.989 47.754 1.235 25703 4118 1 8 . 1 1 32 32 PRO HA H 32 4.398 4.398 4.299 0.099 25703 4119 1 8 . 1 1 32 32 PRO C C 32 177.189 177.189 178.489 -1.300 25703 4120 1 8 . 1 1 32 32 PRO CA C 32 65.366 65.366 64.866 0.500 25703 4121 1 8 . 1 1 32 32 PRO CB C 32 32.289 32.289 31.189 1.100 25703 4122 1 8 . 1 1 33 33 CYS N N 33 111.468 111.468 113.843 -2.375 25703 4123 1 8 . 1 1 33 33 CYS HA H 33 4.223 4.223 4.328 -0.105 25703 4124 1 8 . 1 1 33 33 CYS CA C 33 65.801 65.801 62.537 3.264 25703 4125 1 8 . 1 1 33 33 CYS CB C 33 34.949 34.949 26.345 8.604 25703 4126 1 8 . 1 1 33 33 CYS H H 33 7.991 7.991 8.612 -0.621 25703 4127 1 8 . 1 1 34 34 LYS HA H 34 3.968 3.968 3.991 -0.023 25703 4128 1 8 . 1 1 34 34 LYS C C 34 178.052 178.052 178.914 -0.862 25703 4129 1 8 . 1 1 34 34 LYS CA C 34 59.661 59.661 59.179 0.482 25703 4130 1 8 . 1 1 34 34 LYS CB C 34 32.513 32.513 32.140 0.373 25703 4131 1 8 . 1 1 35 35 MET N N 35 117.236 117.236 116.906 0.330 25703 4132 1 8 . 1 1 35 35 MET HA H 35 4.194 4.194 4.213 -0.019 25703 4133 1 8 . 1 1 35 35 MET C C 35 177.451 177.451 178.198 -0.747 25703 4134 1 8 . 1 1 35 35 MET CA C 35 57.938 57.938 58.415 -0.477 25703 4135 1 8 . 1 1 35 35 MET CB C 35 32.628 32.628 32.880 -0.252 25703 4136 1 8 . 1 1 35 35 MET H H 35 7.326 7.326 7.605 -0.279 25703 4137 1 8 . 1 1 36 36 ILE N N 36 113.758 113.758 119.513 -5.755 25703 4138 1 8 . 1 1 36 36 ILE HA H 36 4.345 4.345 3.859 0.486 25703 4139 1 8 . 1 1 36 36 ILE C C 36 176.183 176.183 176.488 -0.305 25703 4140 1 8 . 1 1 36 36 ILE CA C 36 60.656 60.656 62.550 -1.894 25703 4141 1 8 . 1 1 36 36 ILE CB C 36 39.657 39.657 37.398 2.259 25703 4142 1 8 . 1 1 36 36 ILE H H 36 7.315 7.315 7.950 -0.635 25703 4143 1 8 . 1 1 37 37 ALA N N 37 126.738 126.738 124.007 2.731 25703 4144 1 8 . 1 1 37 37 ALA HA H 37 4.095 4.095 3.969 0.126 25703 4145 1 8 . 1 1 37 37 ALA CA C 37 57.562 57.562 56.857 0.705 25703 4146 1 8 . 1 1 37 37 ALA CB C 37 15.912 15.912 16.168 -0.256 25703 4147 1 8 . 1 1 37 37 ALA H H 37 7.447 7.447 7.669 -0.222 25703 4148 1 8 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.184 0.086 25703 4149 1 8 . 1 1 38 38 PRO C C 38 178.922 178.922 178.533 0.389 25703 4150 1 8 . 1 1 38 38 PRO CA C 38 65.743 65.743 65.345 0.398 25703 4151 1 8 . 1 1 38 38 PRO CB C 38 31.224 31.224 31.278 -0.054 25703 4152 1 8 . 1 1 39 39 MET N N 39 118.310 118.310 118.199 0.111 25703 4153 1 8 . 1 1 39 39 MET HA H 39 3.859 3.859 3.870 -0.011 25703 4154 1 8 . 1 1 39 39 MET C C 39 174.441 174.441 178.324 -3.883 25703 4155 1 8 . 1 1 39 39 MET CA C 39 58.390 58.390 57.952 0.438 25703 4156 1 8 . 1 1 39 39 MET CB C 39 31.394 31.394 31.410 -0.016 25703 4157 1 8 . 1 1 39 39 MET H H 39 7.063 7.063 7.200 -0.137 25703 4158 1 8 . 1 1 40 40 ILE N N 40 119.013 119.013 118.070 0.943 25703 4159 1 8 . 1 1 40 40 ILE HA H 40 3.595 3.595 3.343 0.252 25703 4160 1 8 . 1 1 40 40 ILE C C 40 177.267 177.267 177.703 -0.436 25703 4161 1 8 . 1 1 40 40 ILE CA C 40 64.393 64.393 64.285 0.108 25703 4162 1 8 . 1 1 40 40 ILE CB C 40 36.259 36.259 37.128 -0.869 25703 4163 1 8 . 1 1 40 40 ILE H H 40 7.752 7.752 8.515 -0.763 25703 4164 1 8 . 1 1 41 41 GLU N N 41 119.530 119.530 120.687 -1.157 25703 4165 1 8 . 1 1 41 41 GLU HA H 41 3.572 3.572 3.764 -0.192 25703 4166 1 8 . 1 1 41 41 GLU C C 41 179.597 179.597 178.831 0.766 25703 4167 1 8 . 1 1 41 41 GLU CA C 41 59.878 59.878 58.977 0.901 25703 4168 1 8 . 1 1 41 41 GLU CB C 41 29.900 29.900 28.997 0.903 25703 4169 1 8 . 1 1 41 41 GLU H H 41 7.442 7.442 7.528 -0.086 25703 4170 1 8 . 1 1 42 42 LYS N N 42 122.053 122.053 120.530 1.523 25703 4171 1 8 . 1 1 42 42 LYS HA H 42 3.932 3.932 4.050 -0.118 25703 4172 1 8 . 1 1 42 42 LYS C C 42 179.390 179.390 179.213 0.177 25703 4173 1 8 . 1 1 42 42 LYS CA C 42 59.532 59.532 59.338 0.194 25703 4174 1 8 . 1 1 42 42 LYS CB C 42 31.281 31.281 32.193 -0.912 25703 4175 1 8 . 1 1 42 42 LYS H H 42 7.428 7.428 7.737 -0.309 25703 4176 1 8 . 1 1 43 43 PHE N N 43 120.250 120.250 117.110 3.140 25703 4177 1 8 . 1 1 43 43 PHE HA H 43 4.639 4.639 4.437 0.202 25703 4178 1 8 . 1 1 43 43 PHE C C 43 177.337 177.337 176.792 0.545 25703 4179 1 8 . 1 1 43 43 PHE CA C 43 59.331 59.331 58.583 0.748 25703 4180 1 8 . 1 1 43 43 PHE CB C 43 37.737 37.737 38.088 -0.351 25703 4181 1 8 . 1 1 43 43 PHE H H 43 8.337 8.337 8.345 -0.008 25703 4182 1 8 . 1 1 44 44 SER N N 44 117.203 117.203 113.275 3.928 25703 4183 1 8 . 1 1 44 44 SER HA H 44 2.967 2.967 3.984 -1.017 25703 4184 1 8 . 1 1 44 44 SER C C 44 174.934 174.934 175.282 -0.348 25703 4185 1 8 . 1 1 44 44 SER CA C 44 61.159 61.159 59.596 1.563 25703 4186 1 8 . 1 1 44 44 SER CB C 44 62.353 62.353 62.980 -0.627 25703 4187 1 8 . 1 1 44 44 SER H H 44 7.754 7.754 7.733 0.021 25703 4188 1 8 . 1 1 45 45 GLU N N 45 121.664 121.664 121.359 0.305 25703 4189 1 8 . 1 1 45 45 GLU HA H 45 4.049 4.049 4.362 -0.313 25703 4190 1 8 . 1 1 45 45 GLU C C 45 177.360 177.360 177.028 0.332 25703 4191 1 8 . 1 1 45 45 GLU CA C 45 57.739 57.739 58.188 -0.449 25703 4192 1 8 . 1 1 45 45 GLU CB C 45 30.191 30.191 30.247 -0.056 25703 4193 1 8 . 1 1 45 45 GLU H H 45 6.884 6.884 7.945 -1.061 25703 4194 1 8 . 1 1 46 46 GLN N N 46 118.766 118.766 116.277 2.489 25703 4195 1 8 . 1 1 46 46 GLN HA H 46 3.948 3.948 4.588 -0.640 25703 4196 1 8 . 1 1 46 46 GLN C C 46 177.431 177.431 174.992 2.439 25703 4197 1 8 . 1 1 46 46 GLN CA C 46 58.372 58.372 54.642 3.730 25703 4198 1 8 . 1 1 46 46 GLN CB C 46 30.160 30.160 28.629 1.531 25703 4199 1 8 . 1 1 46 46 GLN H H 46 7.551 7.551 7.581 -0.030 25703 4200 1 8 . 1 1 47 47 TYR N N 47 117.012 117.012 118.319 -1.307 25703 4201 1 8 . 1 1 47 47 TYR HA H 47 4.971 4.971 4.975 -0.004 25703 4202 1 8 . 1 1 47 47 TYR CA C 47 56.523 56.523 52.867 3.656 25703 4203 1 8 . 1 1 47 47 TYR CB C 47 38.479 38.479 37.510 0.969 25703 4204 1 8 . 1 1 47 47 TYR H H 47 7.426 7.426 8.017 -0.591 25703 4205 1 8 . 1 1 48 48 PRO HA H 48 4.388 4.388 4.163 0.225 25703 4206 1 8 . 1 1 48 48 PRO C C 48 176.927 176.927 177.184 -0.257 25703 4207 1 8 . 1 1 48 48 PRO CA C 48 65.425 65.425 64.728 0.697 25703 4208 1 8 . 1 1 48 48 PRO CB C 48 32.619 32.619 31.917 0.702 25703 4209 1 8 . 1 1 49 49 GLN N N 49 120.194 120.194 115.914 4.280 25703 4210 1 8 . 1 1 49 49 GLN HA H 49 4.369 4.369 4.415 -0.046 25703 4211 1 8 . 1 1 49 49 GLN C C 49 174.438 174.438 174.090 0.348 25703 4212 1 8 . 1 1 49 49 GLN CA C 49 56.832 56.832 54.411 2.421 25703 4213 1 8 . 1 1 49 49 GLN CB C 49 28.164 28.164 28.735 -0.571 25703 4214 1 8 . 1 1 49 49 GLN H H 49 9.624 9.624 8.301 1.323 25703 4215 1 8 . 1 1 50 50 ALA N N 50 128.180 128.180 121.101 7.079 25703 4216 1 8 . 1 1 50 50 ALA HA H 50 5.048 5.048 4.395 0.653 25703 4217 1 8 . 1 1 50 50 ALA C C 50 174.685 174.685 175.310 -0.625 25703 4218 1 8 . 1 1 50 50 ALA CA C 50 50.518 50.518 50.339 0.179 25703 4219 1 8 . 1 1 50 50 ALA CB C 50 22.754 22.754 21.641 1.113 25703 4220 1 8 . 1 1 50 50 ALA H H 50 8.179 8.179 6.916 1.263 25703 4221 1 8 . 1 1 51 51 ASP N N 51 121.032 121.032 120.946 0.086 25703 4222 1 8 . 1 1 51 51 ASP HA H 51 5.102 5.102 4.829 0.273 25703 4223 1 8 . 1 1 51 51 ASP C C 51 174.171 174.171 174.151 0.020 25703 4224 1 8 . 1 1 51 51 ASP CA C 51 53.515 53.515 53.259 0.256 25703 4225 1 8 . 1 1 51 51 ASP CB C 51 44.782 44.782 43.797 0.985 25703 4226 1 8 . 1 1 51 51 ASP H H 51 8.435 8.435 8.556 -0.121 25703 4227 1 8 . 1 1 52 52 PHE N N 52 121.696 121.696 123.800 -2.104 25703 4228 1 8 . 1 1 52 52 PHE HA H 52 5.172 5.172 4.792 0.380 25703 4229 1 8 . 1 1 52 52 PHE C C 52 174.110 174.110 173.795 0.315 25703 4230 1 8 . 1 1 52 52 PHE CA C 52 57.189 57.189 55.904 1.285 25703 4231 1 8 . 1 1 52 52 PHE CB C 52 42.291 42.291 40.054 2.237 25703 4232 1 8 . 1 1 52 52 PHE H H 52 8.983 8.983 8.974 0.009 25703 4233 1 8 . 1 1 53 53 TYR N N 53 122.042 122.042 123.989 -1.947 25703 4234 1 8 . 1 1 53 53 TYR HA H 53 5.495 5.495 5.213 0.282 25703 4235 1 8 . 1 1 53 53 TYR C C 53 174.002 174.002 174.541 -0.539 25703 4236 1 8 . 1 1 53 53 TYR CA C 53 56.214 56.214 55.461 0.753 25703 4237 1 8 . 1 1 53 53 TYR CB C 53 46.407 46.407 41.429 4.978 25703 4238 1 8 . 1 1 53 53 TYR H H 53 9.362 9.362 9.377 -0.015 25703 4239 1 8 . 1 1 54 54 LYS N N 54 116.808 116.808 122.644 -5.836 25703 4240 1 8 . 1 1 54 54 LYS HA H 54 5.505 5.505 4.669 0.836 25703 4241 1 8 . 1 1 54 54 LYS C C 54 172.792 172.792 175.092 -2.300 25703 4242 1 8 . 1 1 54 54 LYS CA C 54 53.943 53.943 55.267 -1.324 25703 4243 1 8 . 1 1 54 54 LYS CB C 54 36.950 36.950 34.729 2.221 25703 4244 1 8 . 1 1 54 54 LYS H H 54 8.463 8.463 8.946 -0.483 25703 4245 1 8 . 1 1 55 55 LEU N N 55 123.826 123.826 124.166 -0.340 25703 4246 1 8 . 1 1 55 55 LEU HA H 55 4.472 4.472 4.653 -0.181 25703 4247 1 8 . 1 1 55 55 LEU C C 55 171.652 171.652 175.531 -3.879 25703 4248 1 8 . 1 1 55 55 LEU CA C 55 55.906 55.906 53.419 2.487 25703 4249 1 8 . 1 1 55 55 LEU CB C 55 46.528 46.528 44.361 2.167 25703 4250 1 8 . 1 1 55 55 LEU H H 55 8.688 8.688 9.081 -0.393 25703 4251 1 8 . 1 1 56 56 ASP N N 56 127.169 127.169 119.972 7.197 25703 4252 1 8 . 1 1 56 56 ASP HA H 56 4.130 4.130 5.054 -0.924 25703 4253 1 8 . 1 1 56 56 ASP C C 56 177.692 177.692 177.062 0.630 25703 4254 1 8 . 1 1 56 56 ASP CA C 56 54.074 54.074 53.190 0.884 25703 4255 1 8 . 1 1 56 56 ASP CB C 56 41.388 41.388 41.449 -0.061 25703 4256 1 8 . 1 1 56 56 ASP H H 56 8.595 8.595 8.803 -0.208 25703 4257 1 8 . 1 1 57 57 VAL N N 57 123.562 123.562 124.506 -0.944 25703 4258 1 8 . 1 1 57 57 VAL HA H 57 3.491 3.491 3.846 -0.355 25703 4259 1 8 . 1 1 57 57 VAL C C 57 175.413 175.413 175.808 -0.395 25703 4260 1 8 . 1 1 57 57 VAL CA C 57 65.095 65.095 64.743 0.352 25703 4261 1 8 . 1 1 57 57 VAL CB C 57 31.658 31.658 32.080 -0.422 25703 4262 1 8 . 1 1 57 57 VAL H H 57 8.712 8.712 9.030 -0.318 25703 4263 1 8 . 1 1 58 58 ASP N N 58 120.070 120.070 119.247 0.823 25703 4264 1 8 . 1 1 58 58 ASP HA H 58 4.827 4.827 4.544 0.283 25703 4265 1 8 . 1 1 58 58 ASP C C 58 177.131 177.131 178.656 -1.525 25703 4266 1 8 . 1 1 58 58 ASP CA C 58 57.693 57.693 57.228 0.465 25703 4267 1 8 . 1 1 58 58 ASP CB C 58 40.827 40.827 41.230 -0.403 25703 4268 1 8 . 1 1 58 58 ASP H H 58 8.670 8.670 8.339 0.331 25703 4269 1 8 . 1 1 59 59 GLU N N 59 120.889 120.889 118.305 2.584 25703 4270 1 8 . 1 1 59 59 GLU HA H 59 4.358 4.358 4.404 -0.046 25703 4271 1 8 . 1 1 59 59 GLU C C 59 176.606 176.606 178.083 -1.477 25703 4272 1 8 . 1 1 59 59 GLU CA C 59 57.881 57.881 57.393 0.488 25703 4273 1 8 . 1 1 59 59 GLU CB C 59 32.138 32.138 30.730 1.408 25703 4274 1 8 . 1 1 59 59 GLU H H 59 7.616 7.616 8.647 -1.031 25703 4275 1 8 . 1 1 60 60 LEU N N 60 122.457 122.457 120.201 2.256 25703 4276 1 8 . 1 1 60 60 LEU HA H 60 4.916 4.916 4.695 0.221 25703 4277 1 8 . 1 1 60 60 LEU C C 60 176.538 176.538 177.427 -0.889 25703 4278 1 8 . 1 1 60 60 LEU CA C 60 52.864 52.864 53.065 -0.201 25703 4279 1 8 . 1 1 60 60 LEU CB C 60 42.270 42.270 39.622 2.648 25703 4280 1 8 . 1 1 60 60 LEU H H 60 7.690 7.690 8.546 -0.856 25703 4281 1 8 . 1 1 61 61 GLY N N 61 112.065 112.065 109.399 2.666 25703 4282 1 8 . 1 1 61 61 GLY C C 61 175.917 175.917 175.242 0.675 25703 4283 1 8 . 1 1 61 61 GLY CA C 61 48.760 48.760 46.914 1.846 25703 4284 1 8 . 1 1 61 61 GLY H H 61 8.267 8.267 8.321 -0.054 25703 4285 1 8 . 1 1 62 62 ASP N N 62 120.904 120.904 120.747 0.157 25703 4286 1 8 . 1 1 62 62 ASP HA H 62 4.302 4.302 4.362 -0.060 25703 4287 1 8 . 1 1 62 62 ASP C C 62 178.355 178.355 178.003 0.352 25703 4288 1 8 . 1 1 62 62 ASP CA C 62 57.045 57.045 57.118 -0.074 25703 4289 1 8 . 1 1 62 62 ASP CB C 62 39.646 39.646 40.752 -1.106 25703 4290 1 8 . 1 1 62 62 ASP H H 62 9.155 9.155 8.129 1.026 25703 4291 1 8 . 1 1 63 63 VAL N N 63 121.465 121.465 119.014 2.451 25703 4292 1 8 . 1 1 63 63 VAL HA H 63 3.310 3.310 3.744 -0.434 25703 4293 1 8 . 1 1 63 63 VAL C C 63 178.724 178.724 176.719 2.005 25703 4294 1 8 . 1 1 63 63 VAL CA C 63 65.878 65.878 65.068 0.810 25703 4295 1 8 . 1 1 63 63 VAL CB C 63 31.718 31.718 31.753 -0.035 25703 4296 1 8 . 1 1 63 63 VAL H H 63 7.263 7.263 7.715 -0.452 25703 4297 1 8 . 1 1 64 64 ALA N N 64 123.341 123.341 121.420 1.921 25703 4298 1 8 . 1 1 64 64 ALA HA H 64 3.774 3.774 2.801 0.973 25703 4299 1 8 . 1 1 64 64 ALA C C 64 177.984 177.984 179.576 -1.592 25703 4300 1 8 . 1 1 64 64 ALA CA C 64 56.326 56.326 54.678 1.648 25703 4301 1 8 . 1 1 64 64 ALA CB C 64 18.296 18.296 17.534 0.762 25703 4302 1 8 . 1 1 64 64 ALA H H 64 7.248 7.248 7.280 -0.032 25703 4303 1 8 . 1 1 65 65 GLN N N 65 118.749 118.749 117.085 1.664 25703 4304 1 8 . 1 1 65 65 GLN HA H 65 4.013 4.013 3.967 0.046 25703 4305 1 8 . 1 1 65 65 GLN CA C 65 59.524 59.524 58.307 1.217 25703 4306 1 8 . 1 1 65 65 GLN CB C 65 28.802 28.802 28.331 0.471 25703 4307 1 8 . 1 1 65 65 GLN H H 65 8.276 8.276 8.236 0.040 25703 4308 1 8 . 1 1 66 66 LYS N N 66 120.950 120.950 120.125 0.825 25703 4309 1 8 . 1 1 66 66 LYS HA H 66 4.033 4.033 4.155 -0.122 25703 4310 1 8 . 1 1 66 66 LYS C C 66 176.439 176.439 177.725 -1.286 25703 4311 1 8 . 1 1 66 66 LYS CA C 66 59.276 59.276 58.653 0.623 25703 4312 1 8 . 1 1 66 66 LYS CB C 66 32.706 32.706 31.969 0.737 25703 4313 1 8 . 1 1 66 66 LYS H H 66 7.984 7.984 7.859 0.125 25703 4314 1 8 . 1 1 67 67 ASN N N 67 115.512 115.512 116.208 -0.696 25703 4315 1 8 . 1 1 67 67 ASN HA H 67 4.698 4.698 4.977 -0.279 25703 4316 1 8 . 1 1 67 67 ASN C C 67 171.075 171.075 173.817 -2.742 25703 4317 1 8 . 1 1 67 67 ASN CA C 67 54.555 54.555 53.689 0.866 25703 4318 1 8 . 1 1 67 67 ASN CB C 67 40.572 40.572 38.925 1.647 25703 4319 1 8 . 1 1 67 67 ASN H H 67 7.052 7.052 7.560 -0.508 25703 4320 1 8 . 1 1 68 68 GLU N N 68 115.540 115.540 115.897 -0.357 25703 4321 1 8 . 1 1 68 68 GLU HA H 68 3.724 3.724 3.943 -0.219 25703 4322 1 8 . 1 1 68 68 GLU C C 68 175.135 175.135 174.977 0.158 25703 4323 1 8 . 1 1 68 68 GLU CA C 68 57.472 57.472 57.238 0.234 25703 4324 1 8 . 1 1 68 68 GLU CB C 68 27.320 27.320 27.135 0.185 25703 4325 1 8 . 1 1 68 68 GLU H H 68 7.708 7.708 7.751 -0.043 25703 4326 1 8 . 1 1 69 69 VAL N N 69 121.037 121.037 119.735 1.302 25703 4327 1 8 . 1 1 69 69 VAL HA H 69 3.891 3.891 4.186 -0.295 25703 4328 1 8 . 1 1 69 69 VAL C C 69 174.845 174.845 175.490 -0.645 25703 4329 1 8 . 1 1 69 69 VAL CA C 69 63.315 63.315 62.202 1.113 25703 4330 1 8 . 1 1 69 69 VAL CB C 69 31.259 31.259 31.869 -0.610 25703 4331 1 8 . 1 1 69 69 VAL H H 69 7.786 7.786 8.113 -0.327 25703 4332 1 8 . 1 1 70 70 SER N N 70 123.071 123.071 122.239 0.832 25703 4333 1 8 . 1 1 70 70 SER HA H 70 4.453 4.453 4.506 -0.053 25703 4334 1 8 . 1 1 70 70 SER C C 70 172.450 172.450 174.653 -2.203 25703 4335 1 8 . 1 1 70 70 SER CA C 70 58.194 58.194 58.542 -0.348 25703 4336 1 8 . 1 1 70 70 SER CB C 70 65.148 65.148 63.972 1.176 25703 4337 1 8 . 1 1 70 70 SER H H 70 8.556 8.556 8.704 -0.148 25703 4338 1 8 . 1 1 71 71 ALA N N 71 127.000 127.000 124.572 2.428 25703 4339 1 8 . 1 1 71 71 ALA HA H 71 4.554 4.554 4.594 -0.040 25703 4340 1 8 . 1 1 71 71 ALA C C 71 175.018 175.018 176.002 -0.984 25703 4341 1 8 . 1 1 71 71 ALA CA C 71 51.898 51.898 51.729 0.169 25703 4342 1 8 . 1 1 71 71 ALA CB C 71 21.560 21.560 20.023 1.537 25703 4343 1 8 . 1 1 71 71 ALA H H 71 7.884 7.884 7.826 0.058 25703 4344 1 8 . 1 1 72 72 MET N N 72 120.240 120.240 116.703 3.537 25703 4345 1 8 . 1 1 72 72 MET HA H 72 4.827 4.827 4.874 -0.047 25703 4346 1 8 . 1 1 72 72 MET CA C 72 57.888 57.888 53.253 4.635 25703 4347 1 8 . 1 1 72 72 MET CB C 72 36.102 36.102 33.127 2.975 25703 4348 1 8 . 1 1 72 72 MET H H 72 8.664 8.664 8.093 0.571 25703 4349 1 8 . 1 1 73 73 PRO HA H 73 4.988 4.988 4.630 0.358 25703 4350 1 8 . 1 1 73 73 PRO C C 73 175.162 175.162 176.063 -0.901 25703 4351 1 8 . 1 1 73 73 PRO CA C 73 64.042 64.042 62.331 1.712 25703 4352 1 8 . 1 1 73 73 PRO CB C 73 35.151 35.151 32.544 2.607 25703 4353 1 8 . 1 1 74 74 THR N N 74 114.942 114.942 114.645 0.297 25703 4354 1 8 . 1 1 74 74 THR HA H 74 4.995 4.995 4.755 0.240 25703 4355 1 8 . 1 1 74 74 THR C C 74 170.891 170.891 173.251 -2.360 25703 4356 1 8 . 1 1 74 74 THR CA C 74 63.926 63.926 62.598 1.328 25703 4357 1 8 . 1 1 74 74 THR CB C 74 73.856 73.856 71.567 2.289 25703 4358 1 8 . 1 1 74 74 THR H H 74 7.490 7.490 8.104 -0.614 25703 4359 1 8 . 1 1 75 75 LEU N N 75 132.149 132.149 128.731 3.418 25703 4360 1 8 . 1 1 75 75 LEU HA H 75 5.493 5.493 5.189 0.304 25703 4361 1 8 . 1 1 75 75 LEU C C 75 174.331 174.331 174.723 -0.392 25703 4362 1 8 . 1 1 75 75 LEU CA C 75 53.852 53.852 54.137 -0.285 25703 4363 1 8 . 1 1 75 75 LEU CB C 75 45.160 45.160 43.157 2.003 25703 4364 1 8 . 1 1 75 75 LEU H H 75 9.427 9.427 9.050 0.377 25703 4365 1 8 . 1 1 76 76 LEU N N 76 124.814 124.814 125.326 -0.512 25703 4366 1 8 . 1 1 76 76 LEU HA H 76 4.932 4.932 4.841 0.091 25703 4367 1 8 . 1 1 76 76 LEU C C 76 173.732 173.732 175.750 -2.018 25703 4368 1 8 . 1 1 76 76 LEU CA C 76 54.032 54.032 53.865 0.167 25703 4369 1 8 . 1 1 76 76 LEU CB C 76 46.726 46.726 43.887 2.839 25703 4370 1 8 . 1 1 76 76 LEU H H 76 9.240 9.240 9.168 0.072 25703 4371 1 8 . 1 1 77 77 LEU N N 77 123.770 123.770 120.495 3.275 25703 4372 1 8 . 1 1 77 77 LEU HA H 77 5.251 5.251 5.448 -0.197 25703 4373 1 8 . 1 1 77 77 LEU C C 77 174.442 174.442 176.151 -1.709 25703 4374 1 8 . 1 1 77 77 LEU CA C 77 55.087 55.087 53.558 1.529 25703 4375 1 8 . 1 1 77 77 LEU CB C 77 43.250 43.250 42.526 0.724 25703 4376 1 8 . 1 1 77 77 LEU H H 77 8.175 8.175 8.098 0.077 25703 4377 1 8 . 1 1 78 78 PHE N N 78 122.975 122.975 123.222 -0.247 25703 4378 1 8 . 1 1 78 78 PHE HA H 78 5.397 5.397 4.888 0.509 25703 4379 1 8 . 1 1 78 78 PHE C C 78 173.920 173.920 174.893 -0.973 25703 4380 1 8 . 1 1 78 78 PHE CA C 78 56.867 56.867 57.275 -0.408 25703 4381 1 8 . 1 1 78 78 PHE CB C 78 44.858 44.858 43.321 1.537 25703 4382 1 8 . 1 1 78 78 PHE H H 78 9.742 9.742 9.421 0.321 25703 4383 1 8 . 1 1 79 79 LYS N N 79 118.164 118.164 121.630 -3.466 25703 4384 1 8 . 1 1 79 79 LYS HA H 79 4.817 4.817 4.984 -0.167 25703 4385 1 8 . 1 1 79 79 LYS C C 79 177.194 177.194 176.101 1.093 25703 4386 1 8 . 1 1 79 79 LYS CA C 79 57.980 57.980 55.437 2.543 25703 4387 1 8 . 1 1 79 79 LYS CB C 79 37.031 37.031 34.529 2.502 25703 4388 1 8 . 1 1 79 79 LYS H H 79 8.745 8.745 8.694 0.051 25703 4389 1 8 . 1 1 80 80 ASN N N 80 126.660 126.660 124.776 1.884 25703 4390 1 8 . 1 1 80 80 ASN HA H 80 4.291 4.291 4.610 -0.319 25703 4391 1 8 . 1 1 80 80 ASN C C 80 174.868 174.868 175.404 -0.536 25703 4392 1 8 . 1 1 80 80 ASN CA C 80 54.925 54.925 54.425 0.500 25703 4393 1 8 . 1 1 80 80 ASN CB C 80 38.055 38.055 36.073 1.982 25703 4394 1 8 . 1 1 80 80 ASN H H 80 8.893 8.893 9.278 -0.385 25703 4395 1 8 . 1 1 81 81 GLY N N 81 103.991 103.991 103.678 0.313 25703 4396 1 8 . 1 1 81 81 GLY C C 81 172.724 172.724 175.123 -2.399 25703 4397 1 8 . 1 1 81 81 GLY CA C 81 46.145 46.145 45.982 0.163 25703 4398 1 8 . 1 1 81 81 GLY H H 81 8.639 8.639 8.838 -0.199 25703 4399 1 8 . 1 1 82 82 LYS N N 82 120.266 120.266 119.262 1.004 25703 4400 1 8 . 1 1 82 82 LYS HA H 82 4.937 4.937 4.514 0.423 25703 4401 1 8 . 1 1 82 82 LYS C C 82 174.364 174.364 176.008 -1.644 25703 4402 1 8 . 1 1 82 82 LYS CA C 82 55.602 55.602 54.768 0.834 25703 4403 1 8 . 1 1 82 82 LYS CB C 82 35.830 35.830 33.094 2.736 25703 4404 1 8 . 1 1 82 82 LYS H H 82 7.576 7.576 8.278 -0.702 25703 4405 1 8 . 1 1 83 83 GLU N N 83 126.445 126.445 116.160 10.285 25703 4406 1 8 . 1 1 83 83 GLU HA H 83 3.867 3.867 3.732 0.136 25703 4407 1 8 . 1 1 83 83 GLU C C 83 176.728 176.728 174.622 2.106 25703 4408 1 8 . 1 1 83 83 GLU CA C 83 57.345 57.345 57.357 -0.012 25703 4409 1 8 . 1 1 83 83 GLU CB C 83 30.927 30.927 29.656 1.271 25703 4410 1 8 . 1 1 83 83 GLU H H 83 8.819 8.819 7.846 0.973 25703 4411 1 8 . 1 1 84 84 VAL N N 84 123.147 123.147 119.054 4.093 25703 4412 1 8 . 1 1 84 84 VAL HA H 84 4.417 4.417 4.193 0.224 25703 4413 1 8 . 1 1 84 84 VAL C C 84 175.128 175.128 173.763 1.365 25703 4414 1 8 . 1 1 84 84 VAL CA C 84 61.453 61.453 61.864 -0.411 25703 4415 1 8 . 1 1 84 84 VAL CB C 84 33.692 33.692 34.564 -0.872 25703 4416 1 8 . 1 1 84 84 VAL H H 84 9.258 9.258 8.466 0.792 25703 4417 1 8 . 1 1 85 85 ALA N N 85 122.281 122.281 121.562 0.719 25703 4418 1 8 . 1 1 85 85 ALA HA H 85 4.414 4.414 4.580 -0.166 25703 4419 1 8 . 1 1 85 85 ALA C C 85 173.291 173.291 174.018 -0.727 25703 4420 1 8 . 1 1 85 85 ALA CA C 85 53.133 53.133 51.644 1.489 25703 4421 1 8 . 1 1 85 85 ALA CB C 85 22.544 22.544 21.436 1.108 25703 4422 1 8 . 1 1 85 85 ALA H H 85 7.573 7.573 7.725 -0.152 25703 4423 1 8 . 1 1 86 86 LYS N N 86 120.704 120.704 121.572 -0.868 25703 4424 1 8 . 1 1 86 86 LYS HA H 86 4.933 4.933 4.492 0.441 25703 4425 1 8 . 1 1 86 86 LYS C C 86 174.506 174.506 174.756 -0.250 25703 4426 1 8 . 1 1 86 86 LYS CA C 86 55.860 55.860 55.819 0.041 25703 4427 1 8 . 1 1 86 86 LYS CB C 86 35.979 35.979 35.187 0.792 25703 4428 1 8 . 1 1 86 86 LYS H H 86 8.014 8.014 8.322 -0.308 25703 4429 1 8 . 1 1 87 87 VAL N N 87 126.817 126.817 127.318 -0.501 25703 4430 1 8 . 1 1 87 87 VAL HA H 87 4.276 4.276 4.483 -0.207 25703 4431 1 8 . 1 1 87 87 VAL C C 87 174.002 174.002 174.596 -0.594 25703 4432 1 8 . 1 1 87 87 VAL CA C 87 62.070 62.070 60.692 1.378 25703 4433 1 8 . 1 1 87 87 VAL CB C 87 34.958 34.958 34.370 0.588 25703 4434 1 8 . 1 1 87 87 VAL H H 87 9.186 9.186 9.046 0.140 25703 4435 1 8 . 1 1 88 88 VAL N N 88 129.683 129.683 121.878 7.805 25703 4436 1 8 . 1 1 88 88 VAL HA H 88 4.446 4.446 4.501 -0.055 25703 4437 1 8 . 1 1 88 88 VAL C C 88 175.594 175.594 175.413 0.181 25703 4438 1 8 . 1 1 88 88 VAL CA C 88 62.462 62.462 61.227 1.235 25703 4439 1 8 . 1 1 88 88 VAL CB C 88 33.275 33.275 31.438 1.837 25703 4440 1 8 . 1 1 88 88 VAL H H 88 9.026 9.026 8.555 0.471 25703 4441 1 8 . 1 1 89 89 GLY N N 89 114.918 114.918 113.729 1.189 25703 4442 1 8 . 1 1 89 89 GLY CA C 89 44.014 44.014 45.371 -1.357 25703 4443 1 8 . 1 1 89 89 GLY H H 89 8.298 8.298 7.826 0.472 25703 4444 1 8 . 1 1 90 90 ALA HA H 90 4.227 4.227 4.227 0.000 25703 4445 1 8 . 1 1 90 90 ALA C C 90 174.279 174.279 177.079 -2.800 25703 4446 1 8 . 1 1 90 90 ALA CA C 90 50.915 50.915 52.303 -1.388 25703 4447 1 8 . 1 1 90 90 ALA CB C 90 18.480 18.480 18.296 0.184 25703 4448 1 8 . 1 1 91 91 ASN N N 91 121.022 121.022 122.011 -0.989 25703 4449 1 8 . 1 1 91 91 ASN HA H 91 5.114 5.114 5.050 0.064 25703 4450 1 8 . 1 1 91 91 ASN CA C 91 50.500 50.500 50.828 -0.328 25703 4451 1 8 . 1 1 91 91 ASN CB C 91 39.514 39.514 38.699 0.815 25703 4452 1 8 . 1 1 91 91 ASN H H 91 7.360 7.360 8.202 -0.842 25703 4453 1 8 . 1 1 92 92 PRO HA H 92 4.116 4.116 4.378 -0.262 25703 4454 1 8 . 1 1 92 92 PRO CA C 92 63.392 63.392 64.954 -1.562 25703 4455 1 8 . 1 1 93 93 ALA HA H 93 4.074 4.074 4.451 -0.377 25703 4456 1 8 . 1 1 93 93 ALA C C 93 179.673 179.673 179.108 0.565 25703 4457 1 8 . 1 1 93 93 ALA CA C 93 55.353 55.353 53.846 1.507 25703 4458 1 8 . 1 1 93 93 ALA CB C 93 18.455 18.455 18.487 -0.032 25703 4459 1 8 . 1 1 94 94 ALA N N 94 121.514 121.514 121.030 0.484 25703 4460 1 8 . 1 1 94 94 ALA HA H 94 4.064 4.064 4.192 -0.128 25703 4461 1 8 . 1 1 94 94 ALA C C 94 180.373 180.373 179.254 1.119 25703 4462 1 8 . 1 1 94 94 ALA CA C 94 55.418 55.418 54.106 1.312 25703 4463 1 8 . 1 1 94 94 ALA CB C 94 19.268 19.268 18.301 0.967 25703 4464 1 8 . 1 1 94 94 ALA H H 94 7.228 7.228 8.033 -0.805 25703 4465 1 8 . 1 1 95 95 ILE N N 95 120.330 120.330 120.132 0.198 25703 4466 1 8 . 1 1 95 95 ILE HA H 95 3.358 3.358 3.809 -0.451 25703 4467 1 8 . 1 1 95 95 ILE C C 95 175.639 175.639 177.008 -1.369 25703 4468 1 8 . 1 1 95 95 ILE CA C 95 66.564 66.564 62.827 3.737 25703 4469 1 8 . 1 1 95 95 ILE CB C 95 38.854 38.854 38.092 0.763 25703 4470 1 8 . 1 1 95 95 ILE H H 95 7.738 7.738 7.984 -0.246 25703 4471 1 8 . 1 1 96 96 LYS N N 96 119.846 119.846 119.318 0.528 25703 4472 1 8 . 1 1 96 96 LYS HA H 96 3.144 3.144 3.925 -0.781 25703 4473 1 8 . 1 1 96 96 LYS C C 96 177.288 177.288 179.175 -1.887 25703 4474 1 8 . 1 1 96 96 LYS CA C 96 60.420 60.420 59.163 1.257 25703 4475 1 8 . 1 1 96 96 LYS CB C 96 32.612 32.612 31.366 1.246 25703 4476 1 8 . 1 1 96 96 LYS H H 96 8.087 8.087 7.871 0.216 25703 4477 1 8 . 1 1 97 97 GLN N N 97 116.484 116.484 119.272 -2.788 25703 4478 1 8 . 1 1 97 97 GLN HA H 97 3.848 3.848 4.056 -0.208 25703 4479 1 8 . 1 1 97 97 GLN C C 97 177.461 177.461 178.197 -0.736 25703 4480 1 8 . 1 1 97 97 GLN CA C 97 59.069 59.069 58.962 0.107 25703 4481 1 8 . 1 1 97 97 GLN CB C 97 28.799 28.799 28.400 0.399 25703 4482 1 8 . 1 1 97 97 GLN H H 97 7.700 7.700 7.657 0.043 25703 4483 1 8 . 1 1 98 98 ALA N N 98 121.852 121.852 121.619 0.233 25703 4484 1 8 . 1 1 98 98 ALA HA H 98 3.921 3.921 4.121 -0.200 25703 4485 1 8 . 1 1 98 98 ALA C C 98 174.452 174.452 179.835 -5.383 25703 4486 1 8 . 1 1 98 98 ALA CA C 98 55.207 55.207 54.812 0.395 25703 4487 1 8 . 1 1 98 98 ALA CB C 98 18.356 18.356 18.714 -0.358 25703 4488 1 8 . 1 1 98 98 ALA H H 98 7.456 7.456 7.503 -0.047 25703 4489 1 8 . 1 1 99 99 ILE N N 99 118.810 118.810 118.519 0.291 25703 4490 1 8 . 1 1 99 99 ILE HA H 99 3.037 3.037 3.792 -0.755 25703 4491 1 8 . 1 1 99 99 ILE C C 99 176.476 176.476 176.985 -0.509 25703 4492 1 8 . 1 1 99 99 ILE CA C 99 65.925 65.925 63.378 2.547 25703 4493 1 8 . 1 1 99 99 ILE CB C 99 38.622 38.622 37.240 1.382 25703 4494 1 8 . 1 1 99 99 ILE H H 99 7.692 7.692 8.768 -1.076 25703 4495 1 8 . 1 1 100 100 ALA N N 100 120.478 120.478 120.722 -0.244 25703 4496 1 8 . 1 1 100 100 ALA HA H 100 3.713 3.713 4.125 -0.412 25703 4497 1 8 . 1 1 100 100 ALA C C 100 179.910 179.910 178.690 1.220 25703 4498 1 8 . 1 1 100 100 ALA CA C 100 55.491 55.491 53.618 1.873 25703 4499 1 8 . 1 1 100 100 ALA CB C 100 18.656 18.656 19.193 -0.537 25703 4500 1 8 . 1 1 100 100 ALA H H 100 8.164 8.164 8.039 0.125 25703 4501 1 8 . 1 1 101 101 ALA N N 101 116.616 116.616 120.469 -3.853 25703 4502 1 8 . 1 1 101 101 ALA HA H 101 4.084 4.084 4.119 -0.035 25703 4503 1 8 . 1 1 101 101 ALA C C 101 177.705 177.705 178.896 -1.191 25703 4504 1 8 . 1 1 101 101 ALA CA C 101 54.113 54.113 53.987 0.126 25703 4505 1 8 . 1 1 101 101 ALA CB C 101 19.576 19.576 19.383 0.193 25703 4506 1 8 . 1 1 101 101 ALA H H 101 7.649 7.649 7.841 -0.192 25703 4507 1 8 . 1 1 102 102 ASN N N 102 114.293 114.293 115.994 -1.701 25703 4508 1 8 . 1 1 102 102 ASN HA H 102 4.753 4.753 4.607 0.146 25703 4509 1 8 . 1 1 102 102 ASN C C 102 172.210 172.210 175.799 -3.589 25703 4510 1 8 . 1 1 102 102 ASN CA C 102 54.809 54.809 54.222 0.587 25703 4511 1 8 . 1 1 102 102 ASN CB C 102 43.388 43.388 39.687 3.701 25703 4512 1 8 . 1 1 102 102 ASN H H 102 7.110 7.110 8.128 -1.018 25703 4513 1 9 . 1 1 2 2 VAL N N 2 125.982 125.982 123.462 2.520 25703 4514 1 9 . 1 1 2 2 VAL HA H 2 4.054 4.054 4.733 -0.679 25703 4515 1 9 . 1 1 2 2 VAL CA C 2 61.397 61.397 60.763 0.634 25703 4516 1 9 . 1 1 2 2 VAL CB C 2 32.844 32.844 34.039 -1.195 25703 4517 1 9 . 1 1 2 2 VAL H H 2 8.576 8.576 8.095 0.481 25703 4518 1 9 . 1 1 3 3 THR N N 3 126.926 126.926 122.253 4.673 25703 4519 1 9 . 1 1 3 3 THR HA H 3 4.120 4.120 4.527 -0.407 25703 4520 1 9 . 1 1 3 3 THR C C 3 172.671 172.671 173.457 -0.786 25703 4521 1 9 . 1 1 3 3 THR CA C 3 64.010 64.010 62.607 1.403 25703 4522 1 9 . 1 1 3 3 THR CB C 3 70.030 70.030 69.920 0.110 25703 4523 1 9 . 1 1 3 3 THR H H 3 7.787 7.787 8.055 -0.268 25703 4524 1 9 . 1 1 4 4 GLN N N 4 128.743 128.743 123.001 5.742 25703 4525 1 9 . 1 1 4 4 GLN HA H 4 4.726 4.726 4.725 0.001 25703 4526 1 9 . 1 1 4 4 GLN C C 4 176.254 176.254 174.779 1.475 25703 4527 1 9 . 1 1 4 4 GLN CA C 4 54.925 54.925 54.126 0.799 25703 4528 1 9 . 1 1 4 4 GLN CB C 4 30.039 30.039 30.151 -0.112 25703 4529 1 9 . 1 1 4 4 GLN H H 4 8.976 8.976 8.382 0.594 25703 4530 1 9 . 1 1 5 5 PHE N N 5 127.295 127.295 123.454 3.841 25703 4531 1 9 . 1 1 5 5 PHE HA H 5 4.793 4.793 4.481 0.312 25703 4532 1 9 . 1 1 5 5 PHE C C 5 175.627 175.627 176.241 -0.614 25703 4533 1 9 . 1 1 5 5 PHE CA C 5 59.080 59.080 56.386 2.695 25703 4534 1 9 . 1 1 5 5 PHE CB C 5 41.083 41.083 41.684 -0.601 25703 4535 1 9 . 1 1 5 5 PHE H H 5 8.434 8.434 8.281 0.153 25703 4536 1 9 . 1 1 6 6 LYS N N 6 120.464 120.464 115.419 5.045 25703 4537 1 9 . 1 1 6 6 LYS HA H 6 4.623 4.623 4.569 0.054 25703 4538 1 9 . 1 1 6 6 LYS C C 6 176.504 176.504 175.533 0.971 25703 4539 1 9 . 1 1 6 6 LYS CA C 6 56.526 56.526 56.249 0.277 25703 4540 1 9 . 1 1 6 6 LYS CB C 6 34.660 34.660 34.157 0.503 25703 4541 1 9 . 1 1 6 6 LYS H H 6 9.821 9.821 8.503 1.318 25703 4542 1 9 . 1 1 7 7 THR N N 7 108.286 108.286 109.568 -1.282 25703 4543 1 9 . 1 1 7 7 THR HA H 7 4.738 4.738 4.630 0.108 25703 4544 1 9 . 1 1 7 7 THR C C 7 173.410 173.410 174.809 -1.399 25703 4545 1 9 . 1 1 7 7 THR CA C 7 59.287 59.287 59.872 -0.585 25703 4546 1 9 . 1 1 7 7 THR CB C 7 73.138 73.138 72.144 0.994 25703 4547 1 9 . 1 1 7 7 THR H H 7 7.467 7.467 7.360 0.107 25703 4548 1 9 . 1 1 8 8 ALA N N 8 125.007 125.007 124.928 0.079 25703 4549 1 9 . 1 1 8 8 ALA HA H 8 3.705 3.705 4.088 -0.383 25703 4550 1 9 . 1 1 8 8 ALA C C 8 178.859 178.859 179.322 -0.463 25703 4551 1 9 . 1 1 8 8 ALA CA C 8 55.453 55.453 55.134 0.319 25703 4552 1 9 . 1 1 8 8 ALA CB C 8 18.689 18.689 18.485 0.204 25703 4553 1 9 . 1 1 8 8 ALA H H 8 9.038 9.038 8.888 0.150 25703 4554 1 9 . 1 1 9 9 SER N N 9 113.408 113.408 113.557 -0.149 25703 4555 1 9 . 1 1 9 9 SER HA H 9 4.124 4.124 4.086 0.038 25703 4556 1 9 . 1 1 9 9 SER C C 9 176.575 176.575 176.773 -0.198 25703 4557 1 9 . 1 1 9 9 SER CA C 9 61.528 61.528 61.637 -0.109 25703 4558 1 9 . 1 1 9 9 SER CB C 9 62.703 62.703 62.188 0.515 25703 4559 1 9 . 1 1 9 9 SER H H 9 8.159 8.159 8.378 -0.219 25703 4560 1 9 . 1 1 10 10 GLU N N 10 123.005 123.005 121.727 1.278 25703 4561 1 9 . 1 1 10 10 GLU HA H 10 3.853 3.853 3.726 0.127 25703 4562 1 9 . 1 1 10 10 GLU C C 10 178.294 178.294 177.798 0.496 25703 4563 1 9 . 1 1 10 10 GLU CA C 10 59.266 59.266 58.223 1.043 25703 4564 1 9 . 1 1 10 10 GLU CB C 10 31.536 31.536 28.642 2.894 25703 4565 1 9 . 1 1 10 10 GLU H H 10 7.552 7.552 7.502 0.050 25703 4566 1 9 . 1 1 11 11 PHE N N 11 121.633 121.633 120.175 1.458 25703 4567 1 9 . 1 1 11 11 PHE HA H 11 2.864 2.864 3.774 -0.910 25703 4568 1 9 . 1 1 11 11 PHE C C 11 176.786 176.786 176.853 -0.067 25703 4569 1 9 . 1 1 11 11 PHE CA C 11 61.182 61.182 60.859 0.322 25703 4570 1 9 . 1 1 11 11 PHE CB C 11 38.202 38.202 39.172 -0.970 25703 4571 1 9 . 1 1 11 11 PHE H H 11 6.632 6.632 7.600 -0.968 25703 4572 1 9 . 1 1 12 12 ASP N N 12 118.991 118.991 119.345 -0.354 25703 4573 1 9 . 1 1 12 12 ASP HA H 12 3.841 3.841 3.754 0.087 25703 4574 1 9 . 1 1 12 12 ASP C C 12 178.286 178.286 178.433 -0.147 25703 4575 1 9 . 1 1 12 12 ASP CA C 12 57.547 57.547 57.482 0.065 25703 4576 1 9 . 1 1 12 12 ASP CB C 12 40.790 40.790 40.536 0.254 25703 4577 1 9 . 1 1 12 12 ASP H H 12 7.687 7.687 8.620 -0.933 25703 4578 1 9 . 1 1 13 13 SER N N 13 112.966 112.966 114.087 -1.121 25703 4579 1 9 . 1 1 13 13 SER HA H 13 4.022 4.022 4.150 -0.128 25703 4580 1 9 . 1 1 13 13 SER C C 13 175.827 175.827 175.663 0.164 25703 4581 1 9 . 1 1 13 13 SER CA C 13 61.410 61.410 60.423 0.987 25703 4582 1 9 . 1 1 13 13 SER CB C 13 63.499 63.499 63.043 0.456 25703 4583 1 9 . 1 1 13 13 SER H H 13 7.563 7.563 7.720 -0.157 25703 4584 1 9 . 1 1 14 14 ALA N N 14 124.823 124.823 123.403 1.420 25703 4585 1 9 . 1 1 14 14 ALA HA H 14 4.025 4.025 4.033 -0.008 25703 4586 1 9 . 1 1 14 14 ALA C C 14 179.909 179.909 179.369 0.540 25703 4587 1 9 . 1 1 14 14 ALA CA C 14 54.710 54.710 54.523 0.187 25703 4588 1 9 . 1 1 14 14 ALA CB C 14 19.286 19.286 18.945 0.341 25703 4589 1 9 . 1 1 14 14 ALA H H 14 7.671 7.671 7.182 0.489 25703 4590 1 9 . 1 1 15 15 ILE N N 15 108.002 108.002 114.861 -6.859 25703 4591 1 9 . 1 1 15 15 ILE HA H 15 3.721 3.721 3.755 -0.034 25703 4592 1 9 . 1 1 15 15 ILE C C 15 175.512 175.512 176.738 -1.226 25703 4593 1 9 . 1 1 15 15 ILE CA C 15 64.058 64.058 63.960 0.098 25703 4594 1 9 . 1 1 15 15 ILE CB C 15 38.277 38.277 37.072 1.205 25703 4595 1 9 . 1 1 15 15 ILE H H 15 7.195 7.195 8.109 -0.914 25703 4596 1 9 . 1 1 16 16 ALA N N 16 123.051 123.051 120.544 2.507 25703 4597 1 9 . 1 1 16 16 ALA HA H 16 4.013 4.013 4.190 -0.177 25703 4598 1 9 . 1 1 16 16 ALA C C 16 176.636 176.636 178.031 -1.395 25703 4599 1 9 . 1 1 16 16 ALA CA C 16 52.318 52.318 51.915 0.403 25703 4600 1 9 . 1 1 16 16 ALA CB C 16 18.956 18.956 18.590 0.366 25703 4601 1 9 . 1 1 16 16 ALA H H 16 6.623 6.623 7.279 -0.656 25703 4602 1 9 . 1 1 17 17 GLN N N 17 116.236 116.236 118.951 -2.715 25703 4603 1 9 . 1 1 17 17 GLN HA H 17 4.198 4.198 4.194 0.004 25703 4604 1 9 . 1 1 17 17 GLN C C 17 174.965 174.965 175.376 -0.411 25703 4605 1 9 . 1 1 17 17 GLN CA C 17 56.422 56.422 55.208 1.214 25703 4606 1 9 . 1 1 17 17 GLN CB C 17 34.338 34.338 30.018 4.320 25703 4607 1 9 . 1 1 17 17 GLN H H 17 7.140 7.140 7.543 -0.403 25703 4608 1 9 . 1 1 18 18 ASP N N 18 123.905 123.905 120.123 3.782 25703 4609 1 9 . 1 1 18 18 ASP HA H 18 4.998 4.998 4.726 0.273 25703 4610 1 9 . 1 1 18 18 ASP C C 18 174.817 174.817 175.339 -0.522 25703 4611 1 9 . 1 1 18 18 ASP CB C 18 39.414 39.414 40.189 -0.775 25703 4612 1 9 . 1 1 18 18 ASP H H 18 8.651 8.651 8.611 0.040 25703 4613 1 9 . 1 1 19 19 LYS N N 19 119.499 119.499 115.712 3.787 25703 4614 1 9 . 1 1 19 19 LYS HA H 19 4.384 4.384 4.454 -0.070 25703 4615 1 9 . 1 1 19 19 LYS C C 19 172.740 172.740 174.780 -2.040 25703 4616 1 9 . 1 1 19 19 LYS CA C 19 55.163 55.163 54.552 0.611 25703 4617 1 9 . 1 1 19 19 LYS CB C 19 34.721 34.721 35.650 -0.929 25703 4618 1 9 . 1 1 19 19 LYS H H 19 7.950 7.950 7.129 0.821 25703 4619 1 9 . 1 1 20 20 LEU N N 20 121.877 121.877 122.877 -1.000 25703 4620 1 9 . 1 1 20 20 LEU HA H 20 4.972 4.972 5.369 -0.397 25703 4621 1 9 . 1 1 20 20 LEU C C 20 173.937 173.937 175.428 -1.491 25703 4622 1 9 . 1 1 20 20 LEU CA C 20 57.132 57.132 54.402 2.730 25703 4623 1 9 . 1 1 20 20 LEU CB C 20 42.012 42.012 43.636 -1.624 25703 4624 1 9 . 1 1 20 20 LEU H H 20 8.641 8.641 8.701 -0.060 25703 4625 1 9 . 1 1 21 21 VAL N N 21 129.812 129.812 126.800 3.012 25703 4626 1 9 . 1 1 21 21 VAL HA H 21 4.439 4.439 4.815 -0.376 25703 4627 1 9 . 1 1 21 21 VAL C C 21 173.493 173.493 174.427 -0.934 25703 4628 1 9 . 1 1 21 21 VAL CA C 21 62.510 62.510 61.280 1.230 25703 4629 1 9 . 1 1 21 21 VAL CB C 21 34.732 34.732 34.713 0.019 25703 4630 1 9 . 1 1 21 21 VAL H H 21 9.263 9.263 9.059 0.204 25703 4631 1 9 . 1 1 22 22 VAL N N 22 131.684 131.684 129.744 1.940 25703 4632 1 9 . 1 1 22 22 VAL HA H 22 4.408 4.408 5.154 -0.746 25703 4633 1 9 . 1 1 22 22 VAL C C 22 174.331 174.331 173.970 0.361 25703 4634 1 9 . 1 1 22 22 VAL CA C 22 61.561 61.561 59.577 1.984 25703 4635 1 9 . 1 1 22 22 VAL CB C 22 33.630 33.630 32.829 0.801 25703 4636 1 9 . 1 1 22 22 VAL H H 22 9.006 9.006 8.695 0.311 25703 4637 1 9 . 1 1 23 23 VAL N N 23 126.475 126.475 131.062 -4.587 25703 4638 1 9 . 1 1 23 23 VAL HA H 23 4.422 4.422 5.022 -0.600 25703 4639 1 9 . 1 1 23 23 VAL C C 23 174.342 174.342 174.109 0.233 25703 4640 1 9 . 1 1 23 23 VAL CA C 23 61.672 61.672 60.654 1.018 25703 4641 1 9 . 1 1 23 23 VAL CB C 23 34.042 34.042 34.412 -0.370 25703 4642 1 9 . 1 1 23 23 VAL H H 23 9.551 9.551 8.358 1.193 25703 4643 1 9 . 1 1 24 24 ALA N N 24 131.649 131.649 127.518 4.131 25703 4644 1 9 . 1 1 24 24 ALA HA H 24 4.953 4.953 5.515 -0.562 25703 4645 1 9 . 1 1 24 24 ALA C C 24 174.683 174.683 176.783 -2.100 25703 4646 1 9 . 1 1 24 24 ALA CA C 24 51.712 51.712 49.473 2.239 25703 4647 1 9 . 1 1 24 24 ALA CB C 24 20.149 20.149 21.762 -1.613 25703 4648 1 9 . 1 1 24 24 ALA H H 24 8.991 8.991 8.157 0.834 25703 4649 1 9 . 1 1 25 25 PHE N N 25 124.535 124.535 124.657 -0.122 25703 4650 1 9 . 1 1 25 25 PHE HA H 25 5.002 5.002 4.656 0.346 25703 4651 1 9 . 1 1 25 25 PHE C C 25 174.231 174.231 174.593 -0.362 25703 4652 1 9 . 1 1 25 25 PHE CA C 25 58.196 58.196 59.211 -1.015 25703 4653 1 9 . 1 1 25 25 PHE CB C 25 40.231 40.231 39.108 1.123 25703 4654 1 9 . 1 1 25 25 PHE H H 25 9.231 9.231 8.365 0.866 25703 4655 1 9 . 1 1 26 26 TYR N N 26 121.986 121.986 123.121 -1.135 25703 4656 1 9 . 1 1 26 26 TYR HA H 26 5.112 5.112 4.696 0.416 25703 4657 1 9 . 1 1 26 26 TYR C C 26 170.727 170.727 174.346 -3.619 25703 4658 1 9 . 1 1 26 26 TYR CA C 26 55.240 55.240 55.386 -0.146 25703 4659 1 9 . 1 1 26 26 TYR CB C 26 43.023 43.023 42.879 0.144 25703 4660 1 9 . 1 1 26 26 TYR H H 26 8.869 8.869 8.941 -0.072 25703 4661 1 9 . 1 1 27 27 ALA N N 27 117.474 117.474 119.899 -2.425 25703 4662 1 9 . 1 1 27 27 ALA HA H 27 4.329 4.329 4.431 -0.102 25703 4663 1 9 . 1 1 27 27 ALA C C 27 178.755 178.755 177.328 1.427 25703 4664 1 9 . 1 1 27 27 ALA CA C 27 50.966 50.966 50.955 0.011 25703 4665 1 9 . 1 1 27 27 ALA CB C 27 22.735 22.735 20.844 1.891 25703 4666 1 9 . 1 1 27 27 ALA H H 27 6.235 6.235 8.054 -1.819 25703 4667 1 9 . 1 1 28 28 THR N N 28 119.624 119.624 114.443 5.181 25703 4668 1 9 . 1 1 28 28 THR HA H 28 3.907 3.907 4.171 -0.264 25703 4669 1 9 . 1 1 28 28 THR C C 28 174.360 174.360 174.702 -0.342 25703 4670 1 9 . 1 1 28 28 THR CA C 28 65.865 65.865 64.254 1.611 25703 4671 1 9 . 1 1 28 28 THR CB C 28 69.336 69.336 68.763 0.573 25703 4672 1 9 . 1 1 28 28 THR H H 28 10.381 10.381 8.409 1.972 25703 4673 1 9 . 1 1 29 29 TRP N N 29 115.983 115.983 120.601 -4.618 25703 4674 1 9 . 1 1 29 29 TRP HA H 29 4.590 4.590 4.960 -0.370 25703 4675 1 9 . 1 1 29 29 TRP CA C 29 53.924 53.924 55.351 -1.427 25703 4676 1 9 . 1 1 29 29 TRP CB C 29 29.460 29.460 28.483 0.977 25703 4677 1 9 . 1 1 29 29 TRP H H 29 6.472 6.472 7.136 -0.664 25703 4678 1 9 . 1 1 30 30 CYS HA H 30 3.857 3.857 4.993 -1.136 25703 4679 1 9 . 1 1 30 30 CYS CA C 30 58.536 58.536 57.279 1.257 25703 4680 1 9 . 1 1 30 30 CYS CB C 30 37.005 37.005 29.975 7.030 25703 4681 1 9 . 1 1 31 31 GLY CA C 31 48.989 48.989 46.687 2.302 25703 4682 1 9 . 1 1 32 32 PRO HA H 32 4.398 4.398 4.243 0.155 25703 4683 1 9 . 1 1 32 32 PRO C C 32 177.189 177.189 178.392 -1.203 25703 4684 1 9 . 1 1 32 32 PRO CA C 32 65.366 65.366 65.078 0.288 25703 4685 1 9 . 1 1 32 32 PRO CB C 32 32.289 32.289 31.184 1.105 25703 4686 1 9 . 1 1 33 33 CYS N N 33 111.468 111.468 111.738 -0.270 25703 4687 1 9 . 1 1 33 33 CYS HA H 33 4.223 4.223 3.641 0.582 25703 4688 1 9 . 1 1 33 33 CYS CA C 33 65.801 65.801 61.321 4.480 25703 4689 1 9 . 1 1 33 33 CYS CB C 33 34.949 34.949 25.902 9.046 25703 4690 1 9 . 1 1 33 33 CYS H H 33 7.991 7.991 8.488 -0.497 25703 4691 1 9 . 1 1 34 34 LYS HA H 34 3.968 3.968 3.973 -0.005 25703 4692 1 9 . 1 1 34 34 LYS C C 34 178.052 178.052 178.384 -0.332 25703 4693 1 9 . 1 1 34 34 LYS CA C 34 59.661 59.661 58.623 1.038 25703 4694 1 9 . 1 1 34 34 LYS CB C 34 32.513 32.513 32.076 0.437 25703 4695 1 9 . 1 1 35 35 MET N N 35 117.236 117.236 115.698 1.538 25703 4696 1 9 . 1 1 35 35 MET HA H 35 4.194 4.194 4.336 -0.142 25703 4697 1 9 . 1 1 35 35 MET C C 35 177.451 177.451 178.423 -0.972 25703 4698 1 9 . 1 1 35 35 MET CA C 35 57.938 57.938 58.292 -0.354 25703 4699 1 9 . 1 1 35 35 MET CB C 35 32.628 32.628 33.121 -0.493 25703 4700 1 9 . 1 1 35 35 MET H H 35 7.326 7.326 7.507 -0.181 25703 4701 1 9 . 1 1 36 36 ILE N N 36 113.758 113.758 119.836 -6.078 25703 4702 1 9 . 1 1 36 36 ILE HA H 36 4.345 4.345 3.940 0.405 25703 4703 1 9 . 1 1 36 36 ILE C C 36 176.183 176.183 176.601 -0.418 25703 4704 1 9 . 1 1 36 36 ILE CA C 36 60.656 60.656 62.625 -1.969 25703 4705 1 9 . 1 1 36 36 ILE CB C 36 39.657 39.657 37.416 2.241 25703 4706 1 9 . 1 1 36 36 ILE H H 36 7.315 7.315 8.278 -0.963 25703 4707 1 9 . 1 1 37 37 ALA N N 37 126.738 126.738 125.270 1.468 25703 4708 1 9 . 1 1 37 37 ALA HA H 37 4.095 4.095 4.436 -0.342 25703 4709 1 9 . 1 1 37 37 ALA CA C 37 57.562 57.562 56.207 1.355 25703 4710 1 9 . 1 1 37 37 ALA CB C 37 15.912 15.912 16.429 -0.517 25703 4711 1 9 . 1 1 37 37 ALA H H 37 7.447 7.447 7.839 -0.392 25703 4712 1 9 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.318 -0.048 25703 4713 1 9 . 1 1 38 38 PRO C C 38 178.922 178.922 178.724 0.198 25703 4714 1 9 . 1 1 38 38 PRO CA C 38 65.743 65.743 65.489 0.254 25703 4715 1 9 . 1 1 38 38 PRO CB C 38 31.224 31.224 31.338 -0.114 25703 4716 1 9 . 1 1 39 39 MET N N 39 118.310 118.310 118.405 -0.095 25703 4717 1 9 . 1 1 39 39 MET HA H 39 3.859 3.859 4.312 -0.453 25703 4718 1 9 . 1 1 39 39 MET C C 39 174.441 174.441 178.771 -4.330 25703 4719 1 9 . 1 1 39 39 MET CA C 39 58.390 58.390 57.310 1.080 25703 4720 1 9 . 1 1 39 39 MET CB C 39 31.394 31.394 31.308 0.086 25703 4721 1 9 . 1 1 39 39 MET H H 39 7.063 7.063 7.306 -0.243 25703 4722 1 9 . 1 1 40 40 ILE N N 40 119.013 119.013 120.533 -1.520 25703 4723 1 9 . 1 1 40 40 ILE HA H 40 3.595 3.595 3.748 -0.153 25703 4724 1 9 . 1 1 40 40 ILE C C 40 177.267 177.267 177.875 -0.608 25703 4725 1 9 . 1 1 40 40 ILE CA C 40 64.393 64.393 65.255 -0.862 25703 4726 1 9 . 1 1 40 40 ILE CB C 40 36.259 36.259 37.784 -1.525 25703 4727 1 9 . 1 1 40 40 ILE H H 40 7.752 7.752 9.107 -1.355 25703 4728 1 9 . 1 1 41 41 GLU N N 41 119.530 119.530 120.179 -0.649 25703 4729 1 9 . 1 1 41 41 GLU HA H 41 3.572 3.572 3.811 -0.239 25703 4730 1 9 . 1 1 41 41 GLU C C 41 179.597 179.597 178.965 0.632 25703 4731 1 9 . 1 1 41 41 GLU CA C 41 59.878 59.878 59.275 0.603 25703 4732 1 9 . 1 1 41 41 GLU CB C 41 29.900 29.900 29.154 0.746 25703 4733 1 9 . 1 1 41 41 GLU H H 41 7.442 7.442 7.684 -0.242 25703 4734 1 9 . 1 1 42 42 LYS N N 42 122.053 122.053 120.525 1.528 25703 4735 1 9 . 1 1 42 42 LYS HA H 42 3.932 3.932 3.968 -0.036 25703 4736 1 9 . 1 1 42 42 LYS C C 42 179.390 179.390 179.057 0.333 25703 4737 1 9 . 1 1 42 42 LYS CA C 42 59.532 59.532 58.995 0.537 25703 4738 1 9 . 1 1 42 42 LYS CB C 42 31.281 31.281 31.739 -0.458 25703 4739 1 9 . 1 1 42 42 LYS H H 42 7.428 7.428 7.713 -0.285 25703 4740 1 9 . 1 1 43 43 PHE N N 43 120.250 120.250 117.996 2.254 25703 4741 1 9 . 1 1 43 43 PHE HA H 43 4.639 4.639 4.285 0.354 25703 4742 1 9 . 1 1 43 43 PHE C C 43 177.337 177.337 176.740 0.597 25703 4743 1 9 . 1 1 43 43 PHE CA C 43 59.331 59.331 60.910 -1.579 25703 4744 1 9 . 1 1 43 43 PHE CB C 43 37.737 37.737 38.761 -1.024 25703 4745 1 9 . 1 1 43 43 PHE H H 43 8.337 8.337 8.852 -0.515 25703 4746 1 9 . 1 1 44 44 SER N N 44 117.203 117.203 112.672 4.531 25703 4747 1 9 . 1 1 44 44 SER HA H 44 2.967 2.967 2.752 0.215 25703 4748 1 9 . 1 1 44 44 SER C C 44 174.934 174.934 175.818 -0.884 25703 4749 1 9 . 1 1 44 44 SER CA C 44 61.159 61.159 59.814 1.345 25703 4750 1 9 . 1 1 44 44 SER CB C 44 62.353 62.353 61.540 0.813 25703 4751 1 9 . 1 1 44 44 SER H H 44 7.754 7.754 7.678 0.076 25703 4752 1 9 . 1 1 45 45 GLU N N 45 121.664 121.664 121.226 0.438 25703 4753 1 9 . 1 1 45 45 GLU HA H 45 4.049 4.049 4.093 -0.044 25703 4754 1 9 . 1 1 45 45 GLU C C 45 177.360 177.360 177.392 -0.032 25703 4755 1 9 . 1 1 45 45 GLU CA C 45 57.739 57.739 57.747 -0.008 25703 4756 1 9 . 1 1 45 45 GLU CB C 45 30.191 30.191 29.417 0.774 25703 4757 1 9 . 1 1 45 45 GLU H H 45 6.884 6.884 7.340 -0.456 25703 4758 1 9 . 1 1 46 46 GLN N N 46 118.766 118.766 115.754 3.012 25703 4759 1 9 . 1 1 46 46 GLN HA H 46 3.948 3.948 4.345 -0.397 25703 4760 1 9 . 1 1 46 46 GLN C C 46 177.431 177.431 176.091 1.340 25703 4761 1 9 . 1 1 46 46 GLN CA C 46 58.372 58.372 54.855 3.517 25703 4762 1 9 . 1 1 46 46 GLN CB C 46 30.160 30.160 28.942 1.218 25703 4763 1 9 . 1 1 46 46 GLN H H 46 7.551 7.551 7.425 0.126 25703 4764 1 9 . 1 1 47 47 TYR N N 47 117.012 117.012 120.170 -3.158 25703 4765 1 9 . 1 1 47 47 TYR HA H 47 4.971 4.971 4.787 0.184 25703 4766 1 9 . 1 1 47 47 TYR CA C 47 56.523 56.523 53.969 2.554 25703 4767 1 9 . 1 1 47 47 TYR CB C 47 38.479 38.479 37.383 1.097 25703 4768 1 9 . 1 1 47 47 TYR H H 47 7.426 7.426 7.217 0.209 25703 4769 1 9 . 1 1 48 48 PRO HA H 48 4.388 4.388 4.442 -0.054 25703 4770 1 9 . 1 1 48 48 PRO C C 48 176.927 176.927 177.074 -0.147 25703 4771 1 9 . 1 1 48 48 PRO CA C 48 65.425 65.425 64.429 0.996 25703 4772 1 9 . 1 1 48 48 PRO CB C 48 32.619 32.619 32.295 0.324 25703 4773 1 9 . 1 1 49 49 GLN N N 49 120.194 120.194 116.514 3.680 25703 4774 1 9 . 1 1 49 49 GLN HA H 49 4.369 4.369 4.457 -0.088 25703 4775 1 9 . 1 1 49 49 GLN C C 49 174.438 174.438 174.549 -0.111 25703 4776 1 9 . 1 1 49 49 GLN CA C 49 56.832 56.832 54.983 1.849 25703 4777 1 9 . 1 1 49 49 GLN CB C 49 28.164 28.164 28.857 -0.693 25703 4778 1 9 . 1 1 49 49 GLN H H 49 9.624 9.624 8.514 1.110 25703 4779 1 9 . 1 1 50 50 ALA N N 50 128.180 128.180 123.171 5.009 25703 4780 1 9 . 1 1 50 50 ALA HA H 50 5.048 5.048 4.625 0.423 25703 4781 1 9 . 1 1 50 50 ALA C C 50 174.685 174.685 176.412 -1.727 25703 4782 1 9 . 1 1 50 50 ALA CA C 50 50.518 50.518 50.651 -0.133 25703 4783 1 9 . 1 1 50 50 ALA CB C 50 22.754 22.754 21.812 0.942 25703 4784 1 9 . 1 1 50 50 ALA H H 50 8.179 8.179 7.760 0.419 25703 4785 1 9 . 1 1 51 51 ASP N N 51 121.032 121.032 121.498 -0.466 25703 4786 1 9 . 1 1 51 51 ASP HA H 51 5.102 5.102 4.516 0.586 25703 4787 1 9 . 1 1 51 51 ASP C C 51 174.171 174.171 174.458 -0.287 25703 4788 1 9 . 1 1 51 51 ASP CA C 51 53.515 53.515 53.620 -0.105 25703 4789 1 9 . 1 1 51 51 ASP CB C 51 44.782 44.782 43.185 1.597 25703 4790 1 9 . 1 1 51 51 ASP H H 51 8.435 8.435 8.342 0.093 25703 4791 1 9 . 1 1 52 52 PHE N N 52 121.696 121.696 119.390 2.306 25703 4792 1 9 . 1 1 52 52 PHE HA H 52 5.172 5.172 5.078 0.094 25703 4793 1 9 . 1 1 52 52 PHE C C 52 174.110 174.110 173.600 0.510 25703 4794 1 9 . 1 1 52 52 PHE CA C 52 57.189 57.189 55.205 1.984 25703 4795 1 9 . 1 1 52 52 PHE CB C 52 42.291 42.291 39.423 2.868 25703 4796 1 9 . 1 1 52 52 PHE H H 52 8.983 8.983 7.287 1.696 25703 4797 1 9 . 1 1 53 53 TYR N N 53 122.042 122.042 121.182 0.860 25703 4798 1 9 . 1 1 53 53 TYR HA H 53 5.495 5.495 5.196 0.299 25703 4799 1 9 . 1 1 53 53 TYR C C 53 174.002 174.002 175.361 -1.359 25703 4800 1 9 . 1 1 53 53 TYR CA C 53 56.214 56.214 55.922 0.292 25703 4801 1 9 . 1 1 53 53 TYR CB C 53 46.407 46.407 41.807 4.600 25703 4802 1 9 . 1 1 53 53 TYR H H 53 9.362 9.362 8.985 0.377 25703 4803 1 9 . 1 1 54 54 LYS N N 54 116.808 116.808 121.489 -4.681 25703 4804 1 9 . 1 1 54 54 LYS HA H 54 5.505 5.505 4.728 0.777 25703 4805 1 9 . 1 1 54 54 LYS C C 54 172.792 172.792 174.628 -1.836 25703 4806 1 9 . 1 1 54 54 LYS CA C 54 53.943 53.943 54.543 -0.600 25703 4807 1 9 . 1 1 54 54 LYS CB C 54 36.950 36.950 33.724 3.227 25703 4808 1 9 . 1 1 54 54 LYS H H 54 8.463 8.463 8.891 -0.428 25703 4809 1 9 . 1 1 55 55 LEU N N 55 123.826 123.826 123.013 0.813 25703 4810 1 9 . 1 1 55 55 LEU HA H 55 4.472 4.472 4.461 0.011 25703 4811 1 9 . 1 1 55 55 LEU C C 55 171.652 171.652 175.752 -4.100 25703 4812 1 9 . 1 1 55 55 LEU CA C 55 55.906 55.906 53.400 2.506 25703 4813 1 9 . 1 1 55 55 LEU CB C 55 46.528 46.528 43.675 2.853 25703 4814 1 9 . 1 1 55 55 LEU H H 55 8.688 8.688 8.659 0.029 25703 4815 1 9 . 1 1 56 56 ASP N N 56 127.169 127.169 117.278 9.891 25703 4816 1 9 . 1 1 56 56 ASP HA H 56 4.130 4.130 4.954 -0.824 25703 4817 1 9 . 1 1 56 56 ASP C C 56 177.692 177.692 177.585 0.107 25703 4818 1 9 . 1 1 56 56 ASP CA C 56 54.074 54.074 53.154 0.920 25703 4819 1 9 . 1 1 56 56 ASP CB C 56 41.388 41.388 41.940 -0.552 25703 4820 1 9 . 1 1 56 56 ASP H H 56 8.595 8.595 8.631 -0.036 25703 4821 1 9 . 1 1 57 57 VAL N N 57 123.562 123.562 118.138 5.424 25703 4822 1 9 . 1 1 57 57 VAL HA H 57 3.491 3.491 4.091 -0.600 25703 4823 1 9 . 1 1 57 57 VAL C C 57 175.413 175.413 175.873 -0.460 25703 4824 1 9 . 1 1 57 57 VAL CA C 57 65.095 65.095 64.146 0.949 25703 4825 1 9 . 1 1 57 57 VAL CB C 57 31.658 31.658 31.641 0.017 25703 4826 1 9 . 1 1 57 57 VAL H H 57 8.712 8.712 8.720 -0.008 25703 4827 1 9 . 1 1 58 58 ASP N N 58 120.070 120.070 117.735 2.335 25703 4828 1 9 . 1 1 58 58 ASP HA H 58 4.827 4.827 4.551 0.276 25703 4829 1 9 . 1 1 58 58 ASP C C 58 177.131 177.131 177.375 -0.244 25703 4830 1 9 . 1 1 58 58 ASP CA C 58 57.693 57.693 56.635 1.058 25703 4831 1 9 . 1 1 58 58 ASP CB C 58 40.827 40.827 40.722 0.105 25703 4832 1 9 . 1 1 58 58 ASP H H 58 8.670 8.670 8.428 0.242 25703 4833 1 9 . 1 1 59 59 GLU N N 59 120.889 120.889 119.194 1.695 25703 4834 1 9 . 1 1 59 59 GLU HA H 59 4.358 4.358 4.420 -0.062 25703 4835 1 9 . 1 1 59 59 GLU C C 59 176.606 176.606 178.055 -1.449 25703 4836 1 9 . 1 1 59 59 GLU CA C 59 57.881 57.881 56.985 0.896 25703 4837 1 9 . 1 1 59 59 GLU CB C 59 32.138 32.138 31.641 0.497 25703 4838 1 9 . 1 1 59 59 GLU H H 59 7.616 7.616 7.840 -0.224 25703 4839 1 9 . 1 1 60 60 LEU N N 60 122.457 122.457 123.641 -1.184 25703 4840 1 9 . 1 1 60 60 LEU HA H 60 4.916 4.916 4.705 0.211 25703 4841 1 9 . 1 1 60 60 LEU C C 60 176.538 176.538 177.122 -0.584 25703 4842 1 9 . 1 1 60 60 LEU CA C 60 52.864 52.864 53.350 -0.486 25703 4843 1 9 . 1 1 60 60 LEU CB C 60 42.270 42.270 38.945 3.325 25703 4844 1 9 . 1 1 60 60 LEU H H 60 7.690 7.690 8.715 -1.025 25703 4845 1 9 . 1 1 61 61 GLY N N 61 112.065 112.065 109.446 2.619 25703 4846 1 9 . 1 1 61 61 GLY C C 61 175.917 175.917 175.398 0.519 25703 4847 1 9 . 1 1 61 61 GLY CA C 61 48.760 48.760 46.934 1.826 25703 4848 1 9 . 1 1 61 61 GLY H H 61 8.267 8.267 7.906 0.361 25703 4849 1 9 . 1 1 62 62 ASP N N 62 120.904 120.904 120.446 0.458 25703 4850 1 9 . 1 1 62 62 ASP HA H 62 4.302 4.302 4.358 -0.056 25703 4851 1 9 . 1 1 62 62 ASP C C 62 178.355 178.355 178.078 0.277 25703 4852 1 9 . 1 1 62 62 ASP CA C 62 57.045 57.045 56.988 0.057 25703 4853 1 9 . 1 1 62 62 ASP CB C 62 39.646 39.646 39.767 -0.121 25703 4854 1 9 . 1 1 62 62 ASP H H 62 9.155 9.155 8.281 0.874 25703 4855 1 9 . 1 1 63 63 VAL N N 63 121.465 121.465 120.583 0.882 25703 4856 1 9 . 1 1 63 63 VAL HA H 63 3.310 3.310 3.780 -0.470 25703 4857 1 9 . 1 1 63 63 VAL C C 63 178.724 178.724 176.772 1.952 25703 4858 1 9 . 1 1 63 63 VAL CA C 63 65.878 65.878 64.765 1.113 25703 4859 1 9 . 1 1 63 63 VAL CB C 63 31.718 31.718 31.743 -0.025 25703 4860 1 9 . 1 1 63 63 VAL H H 63 7.263 7.263 7.649 -0.386 25703 4861 1 9 . 1 1 64 64 ALA N N 64 123.341 123.341 121.422 1.919 25703 4862 1 9 . 1 1 64 64 ALA HA H 64 3.774 3.774 3.021 0.753 25703 4863 1 9 . 1 1 64 64 ALA C C 64 177.984 177.984 179.317 -1.333 25703 4864 1 9 . 1 1 64 64 ALA CA C 64 56.326 56.326 54.847 1.478 25703 4865 1 9 . 1 1 64 64 ALA CB C 64 18.296 18.296 17.906 0.390 25703 4866 1 9 . 1 1 64 64 ALA H H 64 7.248 7.248 7.583 -0.335 25703 4867 1 9 . 1 1 65 65 GLN N N 65 118.749 118.749 116.244 2.505 25703 4868 1 9 . 1 1 65 65 GLN HA H 65 4.013 4.013 4.071 -0.058 25703 4869 1 9 . 1 1 65 65 GLN CA C 65 59.524 59.524 57.689 1.835 25703 4870 1 9 . 1 1 65 65 GLN CB C 65 28.802 28.802 28.022 0.780 25703 4871 1 9 . 1 1 65 65 GLN H H 65 8.276 8.276 7.757 0.519 25703 4872 1 9 . 1 1 66 66 LYS N N 66 120.950 120.950 121.063 -0.113 25703 4873 1 9 . 1 1 66 66 LYS HA H 66 4.033 4.033 4.065 -0.032 25703 4874 1 9 . 1 1 66 66 LYS C C 66 176.439 176.439 177.932 -1.493 25703 4875 1 9 . 1 1 66 66 LYS CA C 66 59.276 59.276 58.493 0.783 25703 4876 1 9 . 1 1 66 66 LYS CB C 66 32.706 32.706 31.960 0.746 25703 4877 1 9 . 1 1 66 66 LYS H H 66 7.984 7.984 8.062 -0.078 25703 4878 1 9 . 1 1 67 67 ASN N N 67 115.512 115.512 115.178 0.334 25703 4879 1 9 . 1 1 67 67 ASN HA H 67 4.698 4.698 4.910 -0.212 25703 4880 1 9 . 1 1 67 67 ASN C C 67 171.075 171.075 173.903 -2.828 25703 4881 1 9 . 1 1 67 67 ASN CA C 67 54.555 54.555 53.018 1.537 25703 4882 1 9 . 1 1 67 67 ASN CB C 67 40.572 40.572 38.936 1.636 25703 4883 1 9 . 1 1 67 67 ASN H H 67 7.052 7.052 7.618 -0.566 25703 4884 1 9 . 1 1 68 68 GLU N N 68 115.540 115.540 116.247 -0.707 25703 4885 1 9 . 1 1 68 68 GLU HA H 68 3.724 3.724 3.840 -0.116 25703 4886 1 9 . 1 1 68 68 GLU C C 68 175.135 175.135 175.140 -0.005 25703 4887 1 9 . 1 1 68 68 GLU CA C 68 57.472 57.472 57.134 0.338 25703 4888 1 9 . 1 1 68 68 GLU CB C 68 27.320 27.320 26.940 0.380 25703 4889 1 9 . 1 1 68 68 GLU H H 68 7.708 7.708 7.617 0.091 25703 4890 1 9 . 1 1 69 69 VAL N N 69 121.037 121.037 119.379 1.658 25703 4891 1 9 . 1 1 69 69 VAL HA H 69 3.891 3.891 3.915 -0.024 25703 4892 1 9 . 1 1 69 69 VAL C C 69 174.845 174.845 175.775 -0.930 25703 4893 1 9 . 1 1 69 69 VAL CA C 69 63.315 63.315 63.245 0.070 25703 4894 1 9 . 1 1 69 69 VAL CB C 69 31.259 31.259 31.267 -0.008 25703 4895 1 9 . 1 1 69 69 VAL H H 69 7.786 7.786 8.256 -0.470 25703 4896 1 9 . 1 1 70 70 SER N N 70 123.071 123.071 122.336 0.735 25703 4897 1 9 . 1 1 70 70 SER HA H 70 4.453 4.453 4.661 -0.208 25703 4898 1 9 . 1 1 70 70 SER C C 70 172.450 172.450 174.242 -1.792 25703 4899 1 9 . 1 1 70 70 SER CA C 70 58.194 58.194 57.615 0.579 25703 4900 1 9 . 1 1 70 70 SER CB C 70 65.148 65.148 64.302 0.846 25703 4901 1 9 . 1 1 70 70 SER H H 70 8.556 8.556 8.566 -0.010 25703 4902 1 9 . 1 1 71 71 ALA N N 71 127.000 127.000 125.644 1.356 25703 4903 1 9 . 1 1 71 71 ALA HA H 71 4.554 4.554 4.755 -0.201 25703 4904 1 9 . 1 1 71 71 ALA C C 71 175.018 175.018 175.241 -0.223 25703 4905 1 9 . 1 1 71 71 ALA CA C 71 51.898 51.898 51.838 0.060 25703 4906 1 9 . 1 1 71 71 ALA CB C 71 21.560 21.560 21.515 0.045 25703 4907 1 9 . 1 1 71 71 ALA H H 71 7.884 7.884 7.737 0.147 25703 4908 1 9 . 1 1 72 72 MET N N 72 120.240 120.240 118.743 1.497 25703 4909 1 9 . 1 1 72 72 MET HA H 72 4.827 4.827 5.152 -0.325 25703 4910 1 9 . 1 1 72 72 MET CA C 72 57.888 57.888 51.903 5.985 25703 4911 1 9 . 1 1 72 72 MET CB C 72 36.102 36.102 34.548 1.554 25703 4912 1 9 . 1 1 72 72 MET H H 72 8.664 8.664 8.302 0.362 25703 4913 1 9 . 1 1 73 73 PRO HA H 73 4.988 4.988 5.118 -0.130 25703 4914 1 9 . 1 1 73 73 PRO C C 73 175.162 175.162 176.217 -1.055 25703 4915 1 9 . 1 1 73 73 PRO CA C 73 64.042 64.042 62.160 1.882 25703 4916 1 9 . 1 1 73 73 PRO CB C 73 35.151 35.151 33.811 1.340 25703 4917 1 9 . 1 1 74 74 THR N N 74 114.942 114.942 114.921 0.021 25703 4918 1 9 . 1 1 74 74 THR HA H 74 4.995 4.995 4.682 0.313 25703 4919 1 9 . 1 1 74 74 THR C C 74 170.891 170.891 173.435 -2.544 25703 4920 1 9 . 1 1 74 74 THR CA C 74 63.926 63.926 61.984 1.942 25703 4921 1 9 . 1 1 74 74 THR CB C 74 73.856 73.856 70.960 2.896 25703 4922 1 9 . 1 1 74 74 THR H H 74 7.490 7.490 8.210 -0.720 25703 4923 1 9 . 1 1 75 75 LEU N N 75 132.149 132.149 129.187 2.962 25703 4924 1 9 . 1 1 75 75 LEU HA H 75 5.493 5.493 4.939 0.554 25703 4925 1 9 . 1 1 75 75 LEU C C 75 174.331 174.331 174.705 -0.374 25703 4926 1 9 . 1 1 75 75 LEU CA C 75 53.852 53.852 54.072 -0.220 25703 4927 1 9 . 1 1 75 75 LEU CB C 75 45.160 45.160 42.285 2.876 25703 4928 1 9 . 1 1 75 75 LEU H H 75 9.427 9.427 9.175 0.252 25703 4929 1 9 . 1 1 76 76 LEU N N 76 124.814 124.814 125.452 -0.638 25703 4930 1 9 . 1 1 76 76 LEU HA H 76 4.932 4.932 4.988 -0.056 25703 4931 1 9 . 1 1 76 76 LEU C C 76 173.732 173.732 175.660 -1.928 25703 4932 1 9 . 1 1 76 76 LEU CA C 76 54.032 54.032 53.835 0.197 25703 4933 1 9 . 1 1 76 76 LEU CB C 76 46.726 46.726 43.796 2.930 25703 4934 1 9 . 1 1 76 76 LEU H H 76 9.240 9.240 8.735 0.505 25703 4935 1 9 . 1 1 77 77 LEU N N 77 123.770 123.770 120.624 3.146 25703 4936 1 9 . 1 1 77 77 LEU HA H 77 5.251 5.251 5.143 0.108 25703 4937 1 9 . 1 1 77 77 LEU C C 77 174.442 174.442 176.118 -1.676 25703 4938 1 9 . 1 1 77 77 LEU CA C 77 55.087 55.087 53.960 1.127 25703 4939 1 9 . 1 1 77 77 LEU CB C 77 43.250 43.250 42.179 1.071 25703 4940 1 9 . 1 1 77 77 LEU H H 77 8.175 8.175 8.081 0.094 25703 4941 1 9 . 1 1 78 78 PHE N N 78 122.975 122.975 123.530 -0.555 25703 4942 1 9 . 1 1 78 78 PHE HA H 78 5.397 5.397 4.810 0.587 25703 4943 1 9 . 1 1 78 78 PHE C C 78 173.920 173.920 174.815 -0.895 25703 4944 1 9 . 1 1 78 78 PHE CA C 78 56.867 56.867 57.248 -0.381 25703 4945 1 9 . 1 1 78 78 PHE CB C 78 44.858 44.858 43.448 1.410 25703 4946 1 9 . 1 1 78 78 PHE H H 78 9.742 9.742 9.342 0.400 25703 4947 1 9 . 1 1 79 79 LYS N N 79 118.164 118.164 121.659 -3.495 25703 4948 1 9 . 1 1 79 79 LYS HA H 79 4.817 4.817 5.069 -0.252 25703 4949 1 9 . 1 1 79 79 LYS C C 79 177.194 177.194 176.112 1.082 25703 4950 1 9 . 1 1 79 79 LYS CA C 79 57.980 57.980 55.374 2.606 25703 4951 1 9 . 1 1 79 79 LYS CB C 79 37.031 37.031 34.659 2.372 25703 4952 1 9 . 1 1 79 79 LYS H H 79 8.745 8.745 8.660 0.085 25703 4953 1 9 . 1 1 80 80 ASN N N 80 126.660 126.660 125.308 1.352 25703 4954 1 9 . 1 1 80 80 ASN HA H 80 4.291 4.291 4.525 -0.234 25703 4955 1 9 . 1 1 80 80 ASN C C 80 174.868 174.868 175.675 -0.807 25703 4956 1 9 . 1 1 80 80 ASN CA C 80 54.925 54.925 54.216 0.709 25703 4957 1 9 . 1 1 80 80 ASN CB C 80 38.055 38.055 36.042 2.013 25703 4958 1 9 . 1 1 80 80 ASN H H 80 8.893 8.893 9.348 -0.455 25703 4959 1 9 . 1 1 81 81 GLY N N 81 103.991 103.991 105.673 -1.682 25703 4960 1 9 . 1 1 81 81 GLY C C 81 172.724 172.724 174.819 -2.095 25703 4961 1 9 . 1 1 81 81 GLY CA C 81 46.145 46.145 46.140 0.005 25703 4962 1 9 . 1 1 81 81 GLY H H 81 8.639 8.639 8.962 -0.323 25703 4963 1 9 . 1 1 82 82 LYS N N 82 120.266 120.266 119.070 1.196 25703 4964 1 9 . 1 1 82 82 LYS HA H 82 4.937 4.937 4.501 0.436 25703 4965 1 9 . 1 1 82 82 LYS C C 82 174.364 174.364 176.079 -1.715 25703 4966 1 9 . 1 1 82 82 LYS CA C 82 55.602 55.602 54.848 0.754 25703 4967 1 9 . 1 1 82 82 LYS CB C 82 35.830 35.830 33.090 2.740 25703 4968 1 9 . 1 1 82 82 LYS H H 82 7.576 7.576 8.327 -0.751 25703 4969 1 9 . 1 1 83 83 GLU N N 83 126.445 126.445 116.287 10.158 25703 4970 1 9 . 1 1 83 83 GLU HA H 83 3.867 3.867 3.607 0.260 25703 4971 1 9 . 1 1 83 83 GLU C C 83 176.728 176.728 174.618 2.110 25703 4972 1 9 . 1 1 83 83 GLU CA C 83 57.345 57.345 57.404 -0.058 25703 4973 1 9 . 1 1 83 83 GLU CB C 83 30.927 30.927 29.535 1.392 25703 4974 1 9 . 1 1 83 83 GLU H H 83 8.819 8.819 7.852 0.967 25703 4975 1 9 . 1 1 84 84 VAL N N 84 123.147 123.147 118.619 4.528 25703 4976 1 9 . 1 1 84 84 VAL HA H 84 4.417 4.417 4.167 0.250 25703 4977 1 9 . 1 1 84 84 VAL C C 84 175.128 175.128 173.684 1.444 25703 4978 1 9 . 1 1 84 84 VAL CA C 84 61.453 61.453 62.037 -0.584 25703 4979 1 9 . 1 1 84 84 VAL CB C 84 33.692 33.692 34.535 -0.843 25703 4980 1 9 . 1 1 84 84 VAL H H 84 9.258 9.258 8.302 0.956 25703 4981 1 9 . 1 1 85 85 ALA N N 85 122.281 122.281 121.409 0.872 25703 4982 1 9 . 1 1 85 85 ALA HA H 85 4.414 4.414 4.573 -0.159 25703 4983 1 9 . 1 1 85 85 ALA C C 85 173.291 173.291 174.025 -0.734 25703 4984 1 9 . 1 1 85 85 ALA CA C 85 53.133 53.133 51.651 1.482 25703 4985 1 9 . 1 1 85 85 ALA CB C 85 22.544 22.544 21.339 1.205 25703 4986 1 9 . 1 1 85 85 ALA H H 85 7.573 7.573 7.698 -0.125 25703 4987 1 9 . 1 1 86 86 LYS N N 86 120.704 120.704 121.342 -0.638 25703 4988 1 9 . 1 1 86 86 LYS HA H 86 4.933 4.933 4.762 0.171 25703 4989 1 9 . 1 1 86 86 LYS C C 86 174.506 174.506 174.778 -0.272 25703 4990 1 9 . 1 1 86 86 LYS CA C 86 55.860 55.860 55.602 0.258 25703 4991 1 9 . 1 1 86 86 LYS CB C 86 35.979 35.979 35.023 0.956 25703 4992 1 9 . 1 1 86 86 LYS H H 86 8.014 8.014 8.241 -0.227 25703 4993 1 9 . 1 1 87 87 VAL N N 87 126.817 126.817 126.712 0.105 25703 4994 1 9 . 1 1 87 87 VAL HA H 87 4.276 4.276 4.481 -0.205 25703 4995 1 9 . 1 1 87 87 VAL C C 87 174.002 174.002 174.397 -0.395 25703 4996 1 9 . 1 1 87 87 VAL CA C 87 62.070 62.070 61.454 0.616 25703 4997 1 9 . 1 1 87 87 VAL CB C 87 34.958 34.958 35.318 -0.360 25703 4998 1 9 . 1 1 87 87 VAL H H 87 9.186 9.186 9.149 0.037 25703 4999 1 9 . 1 1 88 88 VAL N N 88 129.683 129.683 126.002 3.681 25703 5000 1 9 . 1 1 88 88 VAL HA H 88 4.446 4.446 4.383 0.063 25703 5001 1 9 . 1 1 88 88 VAL C C 88 175.594 175.594 175.122 0.472 25703 5002 1 9 . 1 1 88 88 VAL CA C 88 62.462 62.462 61.760 0.702 25703 5003 1 9 . 1 1 88 88 VAL CB C 88 33.275 33.275 30.849 2.426 25703 5004 1 9 . 1 1 88 88 VAL H H 88 9.026 9.026 8.562 0.464 25703 5005 1 9 . 1 1 89 89 GLY N N 89 114.918 114.918 113.274 1.644 25703 5006 1 9 . 1 1 89 89 GLY CA C 89 44.014 44.014 45.443 -1.429 25703 5007 1 9 . 1 1 89 89 GLY H H 89 8.298 8.298 7.662 0.636 25703 5008 1 9 . 1 1 90 90 ALA HA H 90 4.227 4.227 4.285 -0.058 25703 5009 1 9 . 1 1 90 90 ALA C C 90 174.279 174.279 177.206 -2.927 25703 5010 1 9 . 1 1 90 90 ALA CA C 90 50.915 50.915 52.086 -1.171 25703 5011 1 9 . 1 1 90 90 ALA CB C 90 18.480 18.480 17.997 0.483 25703 5012 1 9 . 1 1 91 91 ASN N N 91 121.022 121.022 122.646 -1.624 25703 5013 1 9 . 1 1 91 91 ASN HA H 91 5.114 5.114 5.029 0.085 25703 5014 1 9 . 1 1 91 91 ASN CA C 91 50.500 50.500 50.245 0.255 25703 5015 1 9 . 1 1 91 91 ASN CB C 91 39.514 39.514 37.732 1.782 25703 5016 1 9 . 1 1 91 91 ASN H H 91 7.360 7.360 7.917 -0.557 25703 5017 1 9 . 1 1 92 92 PRO HA H 92 4.116 4.116 4.134 -0.018 25703 5018 1 9 . 1 1 92 92 PRO CA C 92 63.392 63.392 64.914 -1.522 25703 5019 1 9 . 1 1 93 93 ALA HA H 93 4.074 4.074 4.250 -0.176 25703 5020 1 9 . 1 1 93 93 ALA C C 93 179.673 179.673 178.941 0.732 25703 5021 1 9 . 1 1 93 93 ALA CA C 93 55.353 55.353 53.725 1.627 25703 5022 1 9 . 1 1 93 93 ALA CB C 93 18.455 18.455 18.367 0.088 25703 5023 1 9 . 1 1 94 94 ALA N N 94 121.514 121.514 120.986 0.528 25703 5024 1 9 . 1 1 94 94 ALA HA H 94 4.064 4.064 4.121 -0.057 25703 5025 1 9 . 1 1 94 94 ALA C C 94 180.373 180.373 179.111 1.262 25703 5026 1 9 . 1 1 94 94 ALA CA C 94 55.418 55.418 53.888 1.530 25703 5027 1 9 . 1 1 94 94 ALA CB C 94 19.268 19.268 18.248 1.020 25703 5028 1 9 . 1 1 94 94 ALA H H 94 7.228 7.228 7.836 -0.608 25703 5029 1 9 . 1 1 95 95 ILE N N 95 120.330 120.330 119.771 0.559 25703 5030 1 9 . 1 1 95 95 ILE HA H 95 3.358 3.358 3.664 -0.306 25703 5031 1 9 . 1 1 95 95 ILE C C 95 175.639 175.639 177.060 -1.421 25703 5032 1 9 . 1 1 95 95 ILE CA C 95 66.564 66.564 62.851 3.713 25703 5033 1 9 . 1 1 95 95 ILE CB C 95 38.854 38.854 37.719 1.135 25703 5034 1 9 . 1 1 95 95 ILE H H 95 7.738 7.738 7.835 -0.097 25703 5035 1 9 . 1 1 96 96 LYS N N 96 119.846 119.846 119.536 0.310 25703 5036 1 9 . 1 1 96 96 LYS HA H 96 3.144 3.144 3.969 -0.825 25703 5037 1 9 . 1 1 96 96 LYS C C 96 177.288 177.288 178.656 -1.368 25703 5038 1 9 . 1 1 96 96 LYS CA C 96 60.420 60.420 59.041 1.379 25703 5039 1 9 . 1 1 96 96 LYS CB C 96 32.612 32.612 31.737 0.875 25703 5040 1 9 . 1 1 96 96 LYS H H 96 8.087 8.087 7.445 0.642 25703 5041 1 9 . 1 1 97 97 GLN N N 97 116.484 116.484 119.156 -2.672 25703 5042 1 9 . 1 1 97 97 GLN HA H 97 3.848 3.848 4.041 -0.193 25703 5043 1 9 . 1 1 97 97 GLN C C 97 177.461 177.461 178.125 -0.664 25703 5044 1 9 . 1 1 97 97 GLN CA C 97 59.069 59.069 58.873 0.196 25703 5045 1 9 . 1 1 97 97 GLN CB C 97 28.799 28.799 28.377 0.422 25703 5046 1 9 . 1 1 97 97 GLN H H 97 7.700 7.700 7.681 0.019 25703 5047 1 9 . 1 1 98 98 ALA N N 98 121.852 121.852 121.402 0.450 25703 5048 1 9 . 1 1 98 98 ALA HA H 98 3.921 3.921 4.088 -0.167 25703 5049 1 9 . 1 1 98 98 ALA C C 98 174.452 174.452 179.839 -5.387 25703 5050 1 9 . 1 1 98 98 ALA CA C 98 55.207 55.207 54.727 0.480 25703 5051 1 9 . 1 1 98 98 ALA CB C 98 18.356 18.356 18.532 -0.176 25703 5052 1 9 . 1 1 98 98 ALA H H 98 7.456 7.456 7.538 -0.082 25703 5053 1 9 . 1 1 99 99 ILE N N 99 118.810 118.810 118.949 -0.139 25703 5054 1 9 . 1 1 99 99 ILE HA H 99 3.037 3.037 3.736 -0.699 25703 5055 1 9 . 1 1 99 99 ILE C C 99 176.476 176.476 176.964 -0.488 25703 5056 1 9 . 1 1 99 99 ILE CA C 99 65.925 65.925 62.860 3.065 25703 5057 1 9 . 1 1 99 99 ILE CB C 99 38.622 38.622 36.877 1.744 25703 5058 1 9 . 1 1 99 99 ILE H H 99 7.692 7.692 8.502 -0.810 25703 5059 1 9 . 1 1 100 100 ALA N N 100 120.478 120.478 120.887 -0.409 25703 5060 1 9 . 1 1 100 100 ALA HA H 100 3.713 3.713 4.193 -0.480 25703 5061 1 9 . 1 1 100 100 ALA C C 100 179.910 179.910 178.887 1.023 25703 5062 1 9 . 1 1 100 100 ALA CA C 100 55.491 55.491 53.731 1.760 25703 5063 1 9 . 1 1 100 100 ALA CB C 100 18.656 18.656 19.290 -0.633 25703 5064 1 9 . 1 1 100 100 ALA H H 100 8.164 8.164 8.067 0.097 25703 5065 1 9 . 1 1 101 101 ALA N N 101 116.616 116.616 120.732 -4.116 25703 5066 1 9 . 1 1 101 101 ALA HA H 101 4.084 4.084 4.071 0.013 25703 5067 1 9 . 1 1 101 101 ALA C C 101 177.705 177.705 178.849 -1.144 25703 5068 1 9 . 1 1 101 101 ALA CA C 101 54.113 54.113 54.209 -0.096 25703 5069 1 9 . 1 1 101 101 ALA CB C 101 19.576 19.576 19.287 0.289 25703 5070 1 9 . 1 1 101 101 ALA H H 101 7.649 7.649 7.881 -0.232 25703 5071 1 9 . 1 1 102 102 ASN N N 102 114.293 114.293 115.059 -0.766 25703 5072 1 9 . 1 1 102 102 ASN HA H 102 4.753 4.753 4.705 0.048 25703 5073 1 9 . 1 1 102 102 ASN C C 102 172.210 172.210 175.995 -3.785 25703 5074 1 9 . 1 1 102 102 ASN CA C 102 54.809 54.809 54.063 0.746 25703 5075 1 9 . 1 1 102 102 ASN CB C 102 43.388 43.388 40.020 3.368 25703 5076 1 9 . 1 1 102 102 ASN H H 102 7.110 7.110 7.872 -0.762 25703 5077 1 10 . 1 1 2 2 VAL N N 2 125.982 125.982 120.107 5.875 25703 5078 1 10 . 1 1 2 2 VAL HA H 2 4.054 4.054 4.759 -0.705 25703 5079 1 10 . 1 1 2 2 VAL CA C 2 61.397 61.397 61.224 0.173 25703 5080 1 10 . 1 1 2 2 VAL CB C 2 32.844 32.844 33.213 -0.369 25703 5081 1 10 . 1 1 2 2 VAL H H 2 8.576 8.576 7.443 1.133 25703 5082 1 10 . 1 1 3 3 THR N N 3 126.926 126.926 122.737 4.189 25703 5083 1 10 . 1 1 3 3 THR HA H 3 4.120 4.120 4.503 -0.383 25703 5084 1 10 . 1 1 3 3 THR C C 3 172.671 172.671 173.018 -0.347 25703 5085 1 10 . 1 1 3 3 THR CA C 3 64.010 64.010 63.115 0.895 25703 5086 1 10 . 1 1 3 3 THR CB C 3 70.030 70.030 70.334 -0.304 25703 5087 1 10 . 1 1 3 3 THR H H 3 7.787 7.787 8.181 -0.394 25703 5088 1 10 . 1 1 4 4 GLN N N 4 128.743 128.743 123.347 5.396 25703 5089 1 10 . 1 1 4 4 GLN HA H 4 4.726 4.726 5.113 -0.387 25703 5090 1 10 . 1 1 4 4 GLN C C 4 176.254 176.254 175.143 1.111 25703 5091 1 10 . 1 1 4 4 GLN CA C 4 54.925 54.925 54.332 0.593 25703 5092 1 10 . 1 1 4 4 GLN CB C 4 30.039 30.039 30.253 -0.214 25703 5093 1 10 . 1 1 4 4 GLN H H 4 8.976 8.976 8.218 0.758 25703 5094 1 10 . 1 1 5 5 PHE N N 5 127.295 127.295 124.289 3.006 25703 5095 1 10 . 1 1 5 5 PHE HA H 5 4.793 4.793 4.450 0.343 25703 5096 1 10 . 1 1 5 5 PHE C C 5 175.627 175.627 177.247 -1.620 25703 5097 1 10 . 1 1 5 5 PHE CA C 5 59.080 59.080 56.956 2.124 25703 5098 1 10 . 1 1 5 5 PHE CB C 5 41.083 41.083 40.239 0.844 25703 5099 1 10 . 1 1 5 5 PHE H H 5 8.434 8.434 8.014 0.420 25703 5100 1 10 . 1 1 6 6 LYS N N 6 120.464 120.464 117.581 2.883 25703 5101 1 10 . 1 1 6 6 LYS HA H 6 4.623 4.623 4.389 0.234 25703 5102 1 10 . 1 1 6 6 LYS C C 6 176.504 176.504 175.549 0.955 25703 5103 1 10 . 1 1 6 6 LYS CA C 6 56.526 56.526 56.625 -0.099 25703 5104 1 10 . 1 1 6 6 LYS CB C 6 34.660 34.660 33.424 1.236 25703 5105 1 10 . 1 1 6 6 LYS H H 6 9.821 9.821 8.411 1.410 25703 5106 1 10 . 1 1 7 7 THR N N 7 108.286 108.286 108.548 -0.262 25703 5107 1 10 . 1 1 7 7 THR HA H 7 4.738 4.738 4.611 0.127 25703 5108 1 10 . 1 1 7 7 THR C C 7 173.410 173.410 174.771 -1.361 25703 5109 1 10 . 1 1 7 7 THR CA C 7 59.287 59.287 59.614 -0.327 25703 5110 1 10 . 1 1 7 7 THR CB C 7 73.138 73.138 71.824 1.314 25703 5111 1 10 . 1 1 7 7 THR H H 7 7.467 7.467 7.364 0.103 25703 5112 1 10 . 1 1 8 8 ALA N N 8 125.007 125.007 124.602 0.405 25703 5113 1 10 . 1 1 8 8 ALA HA H 8 3.705 3.705 4.094 -0.389 25703 5114 1 10 . 1 1 8 8 ALA C C 8 178.859 178.859 179.406 -0.547 25703 5115 1 10 . 1 1 8 8 ALA CA C 8 55.453 55.453 55.245 0.208 25703 5116 1 10 . 1 1 8 8 ALA CB C 8 18.689 18.689 18.065 0.624 25703 5117 1 10 . 1 1 8 8 ALA H H 8 9.038 9.038 8.941 0.097 25703 5118 1 10 . 1 1 9 9 SER N N 9 113.408 113.408 114.517 -1.109 25703 5119 1 10 . 1 1 9 9 SER HA H 9 4.124 4.124 4.134 -0.010 25703 5120 1 10 . 1 1 9 9 SER C C 9 176.575 176.575 177.070 -0.495 25703 5121 1 10 . 1 1 9 9 SER CA C 9 61.528 61.528 61.558 -0.030 25703 5122 1 10 . 1 1 9 9 SER CB C 9 62.703 62.703 61.972 0.731 25703 5123 1 10 . 1 1 9 9 SER H H 9 8.159 8.159 8.427 -0.268 25703 5124 1 10 . 1 1 10 10 GLU N N 10 123.005 123.005 121.761 1.244 25703 5125 1 10 . 1 1 10 10 GLU HA H 10 3.853 3.853 3.734 0.119 25703 5126 1 10 . 1 1 10 10 GLU C C 10 178.294 178.294 178.138 0.156 25703 5127 1 10 . 1 1 10 10 GLU CA C 10 59.266 59.266 58.760 0.506 25703 5128 1 10 . 1 1 10 10 GLU CB C 10 31.536 31.536 28.873 2.663 25703 5129 1 10 . 1 1 10 10 GLU H H 10 7.552 7.552 7.737 -0.185 25703 5130 1 10 . 1 1 11 11 PHE N N 11 121.633 121.633 119.836 1.797 25703 5131 1 10 . 1 1 11 11 PHE HA H 11 2.864 2.864 3.544 -0.680 25703 5132 1 10 . 1 1 11 11 PHE C C 11 176.786 176.786 176.884 -0.098 25703 5133 1 10 . 1 1 11 11 PHE CA C 11 61.182 61.182 60.842 0.340 25703 5134 1 10 . 1 1 11 11 PHE CB C 11 38.202 38.202 39.053 -0.852 25703 5135 1 10 . 1 1 11 11 PHE H H 11 6.632 6.632 7.567 -0.935 25703 5136 1 10 . 1 1 12 12 ASP N N 12 118.991 118.991 119.122 -0.131 25703 5137 1 10 . 1 1 12 12 ASP HA H 12 3.841 3.841 3.736 0.105 25703 5138 1 10 . 1 1 12 12 ASP C C 12 178.286 178.286 178.435 -0.149 25703 5139 1 10 . 1 1 12 12 ASP CA C 12 57.547 57.547 57.367 0.180 25703 5140 1 10 . 1 1 12 12 ASP CB C 12 40.790 40.790 40.560 0.230 25703 5141 1 10 . 1 1 12 12 ASP H H 12 7.687 7.687 8.500 -0.813 25703 5142 1 10 . 1 1 13 13 SER N N 13 112.966 112.966 114.705 -1.739 25703 5143 1 10 . 1 1 13 13 SER HA H 13 4.022 4.022 4.079 -0.057 25703 5144 1 10 . 1 1 13 13 SER C C 13 175.827 175.827 175.878 -0.051 25703 5145 1 10 . 1 1 13 13 SER CA C 13 61.410 61.410 60.693 0.717 25703 5146 1 10 . 1 1 13 13 SER CB C 13 63.499 63.499 63.022 0.477 25703 5147 1 10 . 1 1 13 13 SER H H 13 7.563 7.563 7.883 -0.320 25703 5148 1 10 . 1 1 14 14 ALA N N 14 124.823 124.823 122.676 2.147 25703 5149 1 10 . 1 1 14 14 ALA HA H 14 4.025 4.025 3.949 0.076 25703 5150 1 10 . 1 1 14 14 ALA C C 14 179.909 179.909 179.956 -0.047 25703 5151 1 10 . 1 1 14 14 ALA CA C 14 54.710 54.710 54.661 0.049 25703 5152 1 10 . 1 1 14 14 ALA CB C 14 19.286 19.286 18.696 0.590 25703 5153 1 10 . 1 1 14 14 ALA H H 14 7.671 7.671 7.321 0.350 25703 5154 1 10 . 1 1 15 15 ILE N N 15 108.002 108.002 114.309 -6.307 25703 5155 1 10 . 1 1 15 15 ILE HA H 15 3.721 3.721 3.768 -0.047 25703 5156 1 10 . 1 1 15 15 ILE C C 15 175.512 175.512 176.785 -1.273 25703 5157 1 10 . 1 1 15 15 ILE CA C 15 64.058 64.058 63.921 0.137 25703 5158 1 10 . 1 1 15 15 ILE CB C 15 38.277 38.277 36.983 1.294 25703 5159 1 10 . 1 1 15 15 ILE H H 15 7.195 7.195 7.990 -0.795 25703 5160 1 10 . 1 1 16 16 ALA N N 16 123.051 123.051 120.348 2.703 25703 5161 1 10 . 1 1 16 16 ALA HA H 16 4.013 4.013 4.370 -0.357 25703 5162 1 10 . 1 1 16 16 ALA C C 16 176.636 176.636 177.809 -1.173 25703 5163 1 10 . 1 1 16 16 ALA CA C 16 52.318 52.318 51.961 0.357 25703 5164 1 10 . 1 1 16 16 ALA CB C 16 18.956 18.956 18.576 0.380 25703 5165 1 10 . 1 1 16 16 ALA H H 16 6.623 6.623 7.317 -0.694 25703 5166 1 10 . 1 1 17 17 GLN N N 17 116.236 116.236 118.943 -2.707 25703 5167 1 10 . 1 1 17 17 GLN HA H 17 4.198 4.198 4.332 -0.134 25703 5168 1 10 . 1 1 17 17 GLN C C 17 174.965 174.965 175.177 -0.212 25703 5169 1 10 . 1 1 17 17 GLN CA C 17 56.422 56.422 54.778 1.644 25703 5170 1 10 . 1 1 17 17 GLN CB C 17 34.338 34.338 29.710 4.628 25703 5171 1 10 . 1 1 17 17 GLN H H 17 7.140 7.140 7.608 -0.468 25703 5172 1 10 . 1 1 18 18 ASP N N 18 123.905 123.905 118.987 4.918 25703 5173 1 10 . 1 1 18 18 ASP HA H 18 4.998 4.998 4.538 0.460 25703 5174 1 10 . 1 1 18 18 ASP C C 18 174.817 174.817 175.111 -0.294 25703 5175 1 10 . 1 1 18 18 ASP CB C 18 39.414 39.414 40.152 -0.738 25703 5176 1 10 . 1 1 18 18 ASP H H 18 8.651 8.651 8.678 -0.027 25703 5177 1 10 . 1 1 19 19 LYS N N 19 119.499 119.499 116.065 3.434 25703 5178 1 10 . 1 1 19 19 LYS HA H 19 4.384 4.384 4.448 -0.064 25703 5179 1 10 . 1 1 19 19 LYS C C 19 172.740 172.740 175.163 -2.423 25703 5180 1 10 . 1 1 19 19 LYS CA C 19 55.163 55.163 54.462 0.701 25703 5181 1 10 . 1 1 19 19 LYS CB C 19 34.721 34.721 35.691 -0.970 25703 5182 1 10 . 1 1 19 19 LYS H H 19 7.950 7.950 7.135 0.815 25703 5183 1 10 . 1 1 20 20 LEU N N 20 121.877 121.877 124.330 -2.453 25703 5184 1 10 . 1 1 20 20 LEU HA H 20 4.972 4.972 4.781 0.191 25703 5185 1 10 . 1 1 20 20 LEU C C 20 173.937 173.937 174.997 -1.060 25703 5186 1 10 . 1 1 20 20 LEU CA C 20 57.132 57.132 54.657 2.475 25703 5187 1 10 . 1 1 20 20 LEU CB C 20 42.012 42.012 41.770 0.242 25703 5188 1 10 . 1 1 20 20 LEU H H 20 8.641 8.641 8.464 0.177 25703 5189 1 10 . 1 1 21 21 VAL N N 21 129.812 129.812 129.369 0.443 25703 5190 1 10 . 1 1 21 21 VAL HA H 21 4.439 4.439 4.613 -0.174 25703 5191 1 10 . 1 1 21 21 VAL C C 21 173.493 173.493 174.537 -1.044 25703 5192 1 10 . 1 1 21 21 VAL CA C 21 62.510 62.510 61.892 0.617 25703 5193 1 10 . 1 1 21 21 VAL CB C 21 34.732 34.732 33.120 1.612 25703 5194 1 10 . 1 1 21 21 VAL H H 21 9.263 9.263 9.151 0.112 25703 5195 1 10 . 1 1 22 22 VAL N N 22 131.684 131.684 129.575 2.109 25703 5196 1 10 . 1 1 22 22 VAL HA H 22 4.408 4.408 4.830 -0.422 25703 5197 1 10 . 1 1 22 22 VAL C C 22 174.331 174.331 173.979 0.352 25703 5198 1 10 . 1 1 22 22 VAL CA C 22 61.561 61.561 60.333 1.228 25703 5199 1 10 . 1 1 22 22 VAL CB C 22 33.630 33.630 33.307 0.323 25703 5200 1 10 . 1 1 22 22 VAL H H 22 9.006 9.006 9.036 -0.030 25703 5201 1 10 . 1 1 23 23 VAL N N 23 126.475 126.475 130.730 -4.255 25703 5202 1 10 . 1 1 23 23 VAL HA H 23 4.422 4.422 5.039 -0.617 25703 5203 1 10 . 1 1 23 23 VAL C C 23 174.342 174.342 174.252 0.090 25703 5204 1 10 . 1 1 23 23 VAL CA C 23 61.672 61.672 59.736 1.936 25703 5205 1 10 . 1 1 23 23 VAL CB C 23 34.042 34.042 34.881 -0.839 25703 5206 1 10 . 1 1 23 23 VAL H H 23 9.551 9.551 8.335 1.216 25703 5207 1 10 . 1 1 24 24 ALA N N 24 131.649 131.649 127.459 4.190 25703 5208 1 10 . 1 1 24 24 ALA HA H 24 4.953 4.953 5.491 -0.538 25703 5209 1 10 . 1 1 24 24 ALA C C 24 174.683 174.683 177.180 -2.497 25703 5210 1 10 . 1 1 24 24 ALA CA C 24 51.712 51.712 49.578 2.134 25703 5211 1 10 . 1 1 24 24 ALA CB C 24 20.149 20.149 21.873 -1.724 25703 5212 1 10 . 1 1 24 24 ALA H H 24 8.991 8.991 8.376 0.615 25703 5213 1 10 . 1 1 25 25 PHE N N 25 124.535 124.535 125.492 -0.957 25703 5214 1 10 . 1 1 25 25 PHE HA H 25 5.002 5.002 4.655 0.347 25703 5215 1 10 . 1 1 25 25 PHE C C 25 174.231 174.231 174.793 -0.562 25703 5216 1 10 . 1 1 25 25 PHE CA C 25 58.196 58.196 59.949 -1.753 25703 5217 1 10 . 1 1 25 25 PHE CB C 25 40.231 40.231 38.874 1.357 25703 5218 1 10 . 1 1 25 25 PHE H H 25 9.231 9.231 8.806 0.425 25703 5219 1 10 . 1 1 26 26 TYR N N 26 121.986 121.986 124.625 -2.639 25703 5220 1 10 . 1 1 26 26 TYR HA H 26 5.112 5.112 4.697 0.415 25703 5221 1 10 . 1 1 26 26 TYR C C 26 170.727 170.727 173.681 -2.954 25703 5222 1 10 . 1 1 26 26 TYR CA C 26 55.240 55.240 57.155 -1.915 25703 5223 1 10 . 1 1 26 26 TYR CB C 26 43.023 43.023 43.813 -0.790 25703 5224 1 10 . 1 1 26 26 TYR H H 26 8.869 8.869 9.245 -0.376 25703 5225 1 10 . 1 1 27 27 ALA N N 27 117.474 117.474 119.954 -2.480 25703 5226 1 10 . 1 1 27 27 ALA HA H 27 4.329 4.329 4.427 -0.098 25703 5227 1 10 . 1 1 27 27 ALA C C 27 178.755 178.755 175.773 2.982 25703 5228 1 10 . 1 1 27 27 ALA CA C 27 50.966 50.966 51.607 -0.641 25703 5229 1 10 . 1 1 27 27 ALA CB C 27 22.735 22.735 20.420 2.315 25703 5230 1 10 . 1 1 27 27 ALA H H 27 6.235 6.235 8.104 -1.869 25703 5231 1 10 . 1 1 28 28 THR N N 28 119.624 119.624 111.135 8.489 25703 5232 1 10 . 1 1 28 28 THR HA H 28 3.907 3.907 4.322 -0.415 25703 5233 1 10 . 1 1 28 28 THR C C 28 174.360 174.360 174.386 -0.026 25703 5234 1 10 . 1 1 28 28 THR CA C 28 65.865 65.865 62.900 2.965 25703 5235 1 10 . 1 1 28 28 THR CB C 28 69.336 69.336 69.340 -0.004 25703 5236 1 10 . 1 1 28 28 THR H H 28 10.381 10.381 8.018 2.363 25703 5237 1 10 . 1 1 29 29 TRP N N 29 115.983 115.983 122.700 -6.717 25703 5238 1 10 . 1 1 29 29 TRP HA H 29 4.590 4.590 5.075 -0.485 25703 5239 1 10 . 1 1 29 29 TRP CA C 29 53.924 53.924 55.716 -1.792 25703 5240 1 10 . 1 1 29 29 TRP CB C 29 29.460 29.460 28.392 1.068 25703 5241 1 10 . 1 1 29 29 TRP H H 29 6.472 6.472 7.201 -0.729 25703 5242 1 10 . 1 1 30 30 CYS HA H 30 3.857 3.857 4.937 -1.080 25703 5243 1 10 . 1 1 30 30 CYS CA C 30 58.536 58.536 57.589 0.947 25703 5244 1 10 . 1 1 30 30 CYS CB C 30 37.005 37.005 30.226 6.779 25703 5245 1 10 . 1 1 31 31 GLY CA C 31 48.989 48.989 46.502 2.486 25703 5246 1 10 . 1 1 32 32 PRO HA H 32 4.398 4.398 4.310 0.088 25703 5247 1 10 . 1 1 32 32 PRO C C 32 177.189 177.189 178.138 -0.949 25703 5248 1 10 . 1 1 32 32 PRO CA C 32 65.366 65.366 64.359 1.007 25703 5249 1 10 . 1 1 32 32 PRO CB C 32 32.289 32.289 31.179 1.110 25703 5250 1 10 . 1 1 33 33 CYS N N 33 111.468 111.468 110.625 0.843 25703 5251 1 10 . 1 1 33 33 CYS HA H 33 4.223 4.223 3.977 0.246 25703 5252 1 10 . 1 1 33 33 CYS CA C 33 65.801 65.801 60.087 5.714 25703 5253 1 10 . 1 1 33 33 CYS CB C 33 34.949 34.949 26.111 8.838 25703 5254 1 10 . 1 1 33 33 CYS H H 33 7.991 7.991 7.937 0.054 25703 5255 1 10 . 1 1 34 34 LYS HA H 34 3.968 3.968 4.075 -0.107 25703 5256 1 10 . 1 1 34 34 LYS C C 34 178.052 178.052 177.706 0.346 25703 5257 1 10 . 1 1 34 34 LYS CA C 34 59.661 59.661 59.203 0.458 25703 5258 1 10 . 1 1 34 34 LYS CB C 34 32.513 32.513 32.354 0.159 25703 5259 1 10 . 1 1 35 35 MET N N 35 117.236 117.236 114.878 2.358 25703 5260 1 10 . 1 1 35 35 MET HA H 35 4.194 4.194 4.464 -0.270 25703 5261 1 10 . 1 1 35 35 MET C C 35 177.451 177.451 178.132 -0.681 25703 5262 1 10 . 1 1 35 35 MET CA C 35 57.938 57.938 58.090 -0.152 25703 5263 1 10 . 1 1 35 35 MET CB C 35 32.628 32.628 33.672 -1.044 25703 5264 1 10 . 1 1 35 35 MET H H 35 7.326 7.326 7.406 -0.080 25703 5265 1 10 . 1 1 36 36 ILE N N 36 113.758 113.758 120.539 -6.781 25703 5266 1 10 . 1 1 36 36 ILE HA H 36 4.345 4.345 3.883 0.462 25703 5267 1 10 . 1 1 36 36 ILE C C 36 176.183 176.183 176.829 -0.646 25703 5268 1 10 . 1 1 36 36 ILE CA C 36 60.656 60.656 62.553 -1.897 25703 5269 1 10 . 1 1 36 36 ILE CB C 36 39.657 39.657 37.819 1.838 25703 5270 1 10 . 1 1 36 36 ILE H H 36 7.315 7.315 7.942 -0.627 25703 5271 1 10 . 1 1 37 37 ALA N N 37 126.738 126.738 124.376 2.362 25703 5272 1 10 . 1 1 37 37 ALA HA H 37 4.095 4.095 4.107 -0.012 25703 5273 1 10 . 1 1 37 37 ALA CA C 37 57.562 57.562 57.107 0.455 25703 5274 1 10 . 1 1 37 37 ALA CB C 37 15.912 15.912 16.216 -0.304 25703 5275 1 10 . 1 1 37 37 ALA H H 37 7.447 7.447 8.077 -0.630 25703 5276 1 10 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.187 0.083 25703 5277 1 10 . 1 1 38 38 PRO C C 38 178.922 178.922 178.646 0.276 25703 5278 1 10 . 1 1 38 38 PRO CA C 38 65.743 65.743 65.633 0.110 25703 5279 1 10 . 1 1 38 38 PRO CB C 38 31.224 31.224 31.356 -0.132 25703 5280 1 10 . 1 1 39 39 MET N N 39 118.310 118.310 117.353 0.957 25703 5281 1 10 . 1 1 39 39 MET HA H 39 3.859 3.859 4.014 -0.155 25703 5282 1 10 . 1 1 39 39 MET C C 39 174.441 174.441 178.360 -3.919 25703 5283 1 10 . 1 1 39 39 MET CA C 39 58.390 58.390 57.879 0.511 25703 5284 1 10 . 1 1 39 39 MET CB C 39 31.394 31.394 31.474 -0.080 25703 5285 1 10 . 1 1 39 39 MET H H 39 7.063 7.063 7.312 -0.249 25703 5286 1 10 . 1 1 40 40 ILE N N 40 119.013 119.013 118.583 0.430 25703 5287 1 10 . 1 1 40 40 ILE HA H 40 3.595 3.595 3.383 0.212 25703 5288 1 10 . 1 1 40 40 ILE C C 40 177.267 177.267 178.134 -0.867 25703 5289 1 10 . 1 1 40 40 ILE CA C 40 64.393 64.393 64.399 -0.006 25703 5290 1 10 . 1 1 40 40 ILE CB C 40 36.259 36.259 37.253 -0.994 25703 5291 1 10 . 1 1 40 40 ILE H H 40 7.752 7.752 8.531 -0.779 25703 5292 1 10 . 1 1 41 41 GLU N N 41 119.530 119.530 121.450 -1.920 25703 5293 1 10 . 1 1 41 41 GLU HA H 41 3.572 3.572 3.790 -0.218 25703 5294 1 10 . 1 1 41 41 GLU C C 41 179.597 179.597 178.806 0.791 25703 5295 1 10 . 1 1 41 41 GLU CA C 41 59.878 59.878 59.534 0.344 25703 5296 1 10 . 1 1 41 41 GLU CB C 41 29.900 29.900 29.356 0.544 25703 5297 1 10 . 1 1 41 41 GLU H H 41 7.442 7.442 7.864 -0.422 25703 5298 1 10 . 1 1 42 42 LYS N N 42 122.053 122.053 120.286 1.767 25703 5299 1 10 . 1 1 42 42 LYS HA H 42 3.932 3.932 4.038 -0.106 25703 5300 1 10 . 1 1 42 42 LYS C C 42 179.390 179.390 179.281 0.109 25703 5301 1 10 . 1 1 42 42 LYS CA C 42 59.532 59.532 59.284 0.248 25703 5302 1 10 . 1 1 42 42 LYS CB C 42 31.281 31.281 32.305 -1.024 25703 5303 1 10 . 1 1 42 42 LYS H H 42 7.428 7.428 7.726 -0.298 25703 5304 1 10 . 1 1 43 43 PHE N N 43 120.250 120.250 118.107 2.143 25703 5305 1 10 . 1 1 43 43 PHE HA H 43 4.639 4.639 4.141 0.498 25703 5306 1 10 . 1 1 43 43 PHE C C 43 177.337 177.337 176.141 1.196 25703 5307 1 10 . 1 1 43 43 PHE CA C 43 59.331 59.331 57.747 1.584 25703 5308 1 10 . 1 1 43 43 PHE CB C 43 37.737 37.737 37.710 0.027 25703 5309 1 10 . 1 1 43 43 PHE H H 43 8.337 8.337 8.585 -0.248 25703 5310 1 10 . 1 1 44 44 SER N N 44 117.203 117.203 112.288 4.915 25703 5311 1 10 . 1 1 44 44 SER HA H 44 2.967 2.967 3.081 -0.114 25703 5312 1 10 . 1 1 44 44 SER C C 44 174.934 174.934 174.846 0.088 25703 5313 1 10 . 1 1 44 44 SER CA C 44 61.159 61.159 59.058 2.101 25703 5314 1 10 . 1 1 44 44 SER CB C 44 62.353 62.353 62.080 0.273 25703 5315 1 10 . 1 1 44 44 SER H H 44 7.754 7.754 7.538 0.216 25703 5316 1 10 . 1 1 45 45 GLU N N 45 121.664 121.664 119.599 2.065 25703 5317 1 10 . 1 1 45 45 GLU HA H 45 4.049 4.049 4.052 -0.003 25703 5318 1 10 . 1 1 45 45 GLU C C 45 177.360 177.360 177.171 0.189 25703 5319 1 10 . 1 1 45 45 GLU CA C 45 57.739 57.739 57.129 0.610 25703 5320 1 10 . 1 1 45 45 GLU CB C 45 30.191 30.191 29.837 0.354 25703 5321 1 10 . 1 1 45 45 GLU H H 45 6.884 6.884 7.399 -0.515 25703 5322 1 10 . 1 1 46 46 GLN N N 46 118.766 118.766 116.005 2.761 25703 5323 1 10 . 1 1 46 46 GLN HA H 46 3.948 3.948 4.270 -0.322 25703 5324 1 10 . 1 1 46 46 GLN C C 46 177.431 177.431 176.547 0.884 25703 5325 1 10 . 1 1 46 46 GLN CA C 46 58.372 58.372 54.971 3.401 25703 5326 1 10 . 1 1 46 46 GLN CB C 46 30.160 30.160 29.347 0.813 25703 5327 1 10 . 1 1 46 46 GLN H H 46 7.551 7.551 7.119 0.432 25703 5328 1 10 . 1 1 47 47 TYR N N 47 117.012 117.012 120.181 -3.169 25703 5329 1 10 . 1 1 47 47 TYR HA H 47 4.971 4.971 4.772 0.199 25703 5330 1 10 . 1 1 47 47 TYR CA C 47 56.523 56.523 53.948 2.575 25703 5331 1 10 . 1 1 47 47 TYR CB C 47 38.479 38.479 37.004 1.475 25703 5332 1 10 . 1 1 47 47 TYR H H 47 7.426 7.426 7.198 0.228 25703 5333 1 10 . 1 1 48 48 PRO HA H 48 4.388 4.388 4.481 -0.093 25703 5334 1 10 . 1 1 48 48 PRO C C 48 176.927 176.927 177.458 -0.531 25703 5335 1 10 . 1 1 48 48 PRO CA C 48 65.425 65.425 64.353 1.072 25703 5336 1 10 . 1 1 48 48 PRO CB C 48 32.619 32.619 32.233 0.386 25703 5337 1 10 . 1 1 49 49 GLN N N 49 120.194 120.194 114.748 5.446 25703 5338 1 10 . 1 1 49 49 GLN HA H 49 4.369 4.369 4.419 -0.050 25703 5339 1 10 . 1 1 49 49 GLN C C 49 174.438 174.438 173.968 0.470 25703 5340 1 10 . 1 1 49 49 GLN CA C 49 56.832 56.832 55.313 1.518 25703 5341 1 10 . 1 1 49 49 GLN CB C 49 28.164 28.164 28.633 -0.469 25703 5342 1 10 . 1 1 49 49 GLN H H 49 9.624 9.624 8.644 0.980 25703 5343 1 10 . 1 1 50 50 ALA N N 50 128.180 128.180 122.200 5.980 25703 5344 1 10 . 1 1 50 50 ALA HA H 50 5.048 5.048 4.786 0.262 25703 5345 1 10 . 1 1 50 50 ALA C C 50 174.685 174.685 176.100 -1.415 25703 5346 1 10 . 1 1 50 50 ALA CA C 50 50.518 50.518 50.473 0.045 25703 5347 1 10 . 1 1 50 50 ALA CB C 50 22.754 22.754 21.457 1.296 25703 5348 1 10 . 1 1 50 50 ALA H H 50 8.179 8.179 7.672 0.507 25703 5349 1 10 . 1 1 51 51 ASP N N 51 121.032 121.032 121.891 -0.859 25703 5350 1 10 . 1 1 51 51 ASP HA H 51 5.102 5.102 4.726 0.376 25703 5351 1 10 . 1 1 51 51 ASP C C 51 174.171 174.171 174.461 -0.290 25703 5352 1 10 . 1 1 51 51 ASP CA C 51 53.515 53.515 53.216 0.299 25703 5353 1 10 . 1 1 51 51 ASP CB C 51 44.782 44.782 44.234 0.548 25703 5354 1 10 . 1 1 51 51 ASP H H 51 8.435 8.435 8.904 -0.469 25703 5355 1 10 . 1 1 52 52 PHE N N 52 121.696 121.696 119.508 2.188 25703 5356 1 10 . 1 1 52 52 PHE HA H 52 5.172 5.172 5.287 -0.115 25703 5357 1 10 . 1 1 52 52 PHE C C 52 174.110 174.110 173.580 0.530 25703 5358 1 10 . 1 1 52 52 PHE CA C 52 57.189 57.189 54.967 2.222 25703 5359 1 10 . 1 1 52 52 PHE CB C 52 42.291 42.291 39.638 2.653 25703 5360 1 10 . 1 1 52 52 PHE H H 52 8.983 8.983 7.263 1.720 25703 5361 1 10 . 1 1 53 53 TYR N N 53 122.042 122.042 121.316 0.726 25703 5362 1 10 . 1 1 53 53 TYR HA H 53 5.495 5.495 5.188 0.307 25703 5363 1 10 . 1 1 53 53 TYR C C 53 174.002 174.002 175.102 -1.100 25703 5364 1 10 . 1 1 53 53 TYR CA C 53 56.214 56.214 56.191 0.023 25703 5365 1 10 . 1 1 53 53 TYR CB C 53 46.407 46.407 42.426 3.981 25703 5366 1 10 . 1 1 53 53 TYR H H 53 9.362 9.362 9.098 0.264 25703 5367 1 10 . 1 1 54 54 LYS N N 54 116.808 116.808 120.606 -3.798 25703 5368 1 10 . 1 1 54 54 LYS HA H 54 5.505 5.505 4.937 0.568 25703 5369 1 10 . 1 1 54 54 LYS C C 54 172.792 172.792 174.846 -2.054 25703 5370 1 10 . 1 1 54 54 LYS CA C 54 53.943 53.943 55.239 -1.296 25703 5371 1 10 . 1 1 54 54 LYS CB C 54 36.950 36.950 35.992 0.958 25703 5372 1 10 . 1 1 54 54 LYS H H 54 8.463 8.463 9.003 -0.540 25703 5373 1 10 . 1 1 55 55 LEU N N 55 123.826 123.826 125.131 -1.305 25703 5374 1 10 . 1 1 55 55 LEU HA H 55 4.472 4.472 4.537 -0.065 25703 5375 1 10 . 1 1 55 55 LEU C C 55 171.652 171.652 175.603 -3.951 25703 5376 1 10 . 1 1 55 55 LEU CA C 55 55.906 55.906 53.800 2.106 25703 5377 1 10 . 1 1 55 55 LEU CB C 55 46.528 46.528 43.521 3.007 25703 5378 1 10 . 1 1 55 55 LEU H H 55 8.688 8.688 8.898 -0.210 25703 5379 1 10 . 1 1 56 56 ASP N N 56 127.169 127.169 125.638 1.531 25703 5380 1 10 . 1 1 56 56 ASP HA H 56 4.130 4.130 4.629 -0.499 25703 5381 1 10 . 1 1 56 56 ASP C C 56 177.692 177.692 176.628 1.064 25703 5382 1 10 . 1 1 56 56 ASP CA C 56 54.074 54.074 54.929 -0.855 25703 5383 1 10 . 1 1 56 56 ASP CB C 56 41.388 41.388 40.916 0.472 25703 5384 1 10 . 1 1 56 56 ASP H H 56 8.595 8.595 9.007 -0.412 25703 5385 1 10 . 1 1 57 57 VAL N N 57 123.562 123.562 126.306 -2.744 25703 5386 1 10 . 1 1 57 57 VAL HA H 57 3.491 3.491 3.981 -0.490 25703 5387 1 10 . 1 1 57 57 VAL C C 57 175.413 175.413 176.682 -1.269 25703 5388 1 10 . 1 1 57 57 VAL CA C 57 65.095 65.095 65.073 0.022 25703 5389 1 10 . 1 1 57 57 VAL CB C 57 31.658 31.658 32.235 -0.577 25703 5390 1 10 . 1 1 57 57 VAL H H 57 8.712 8.712 8.877 -0.165 25703 5391 1 10 . 1 1 58 58 ASP N N 58 120.070 120.070 118.077 1.993 25703 5392 1 10 . 1 1 58 58 ASP HA H 58 4.827 4.827 4.602 0.225 25703 5393 1 10 . 1 1 58 58 ASP C C 58 177.131 177.131 177.629 -0.498 25703 5394 1 10 . 1 1 58 58 ASP CA C 58 57.693 57.693 57.272 0.421 25703 5395 1 10 . 1 1 58 58 ASP CB C 58 40.827 40.827 41.241 -0.414 25703 5396 1 10 . 1 1 58 58 ASP H H 58 8.670 8.670 8.433 0.237 25703 5397 1 10 . 1 1 59 59 GLU N N 59 120.889 120.889 116.862 4.027 25703 5398 1 10 . 1 1 59 59 GLU HA H 59 4.358 4.358 4.441 -0.083 25703 5399 1 10 . 1 1 59 59 GLU C C 59 176.606 176.606 178.755 -2.149 25703 5400 1 10 . 1 1 59 59 GLU CA C 59 57.881 57.881 57.078 0.803 25703 5401 1 10 . 1 1 59 59 GLU CB C 59 32.138 32.138 31.176 0.962 25703 5402 1 10 . 1 1 59 59 GLU H H 59 7.616 7.616 8.113 -0.497 25703 5403 1 10 . 1 1 60 60 LEU N N 60 122.457 122.457 123.668 -1.211 25703 5404 1 10 . 1 1 60 60 LEU HA H 60 4.916 4.916 4.582 0.334 25703 5405 1 10 . 1 1 60 60 LEU C C 60 176.538 176.538 177.283 -0.745 25703 5406 1 10 . 1 1 60 60 LEU CA C 60 52.864 52.864 53.508 -0.645 25703 5407 1 10 . 1 1 60 60 LEU CB C 60 42.270 42.270 38.633 3.637 25703 5408 1 10 . 1 1 60 60 LEU H H 60 7.690 7.690 8.742 -1.052 25703 5409 1 10 . 1 1 61 61 GLY N N 61 112.065 112.065 109.452 2.613 25703 5410 1 10 . 1 1 61 61 GLY C C 61 175.917 175.917 175.447 0.470 25703 5411 1 10 . 1 1 61 61 GLY CA C 61 48.760 48.760 46.879 1.881 25703 5412 1 10 . 1 1 61 61 GLY H H 61 8.267 8.267 8.313 -0.046 25703 5413 1 10 . 1 1 62 62 ASP N N 62 120.904 120.904 120.695 0.209 25703 5414 1 10 . 1 1 62 62 ASP HA H 62 4.302 4.302 4.355 -0.053 25703 5415 1 10 . 1 1 62 62 ASP C C 62 178.355 178.355 178.153 0.202 25703 5416 1 10 . 1 1 62 62 ASP CA C 62 57.045 57.045 57.123 -0.078 25703 5417 1 10 . 1 1 62 62 ASP CB C 62 39.646 39.646 39.870 -0.224 25703 5418 1 10 . 1 1 62 62 ASP H H 62 9.155 9.155 8.172 0.983 25703 5419 1 10 . 1 1 63 63 VAL N N 63 121.465 121.465 120.865 0.600 25703 5420 1 10 . 1 1 63 63 VAL HA H 63 3.310 3.310 3.820 -0.510 25703 5421 1 10 . 1 1 63 63 VAL C C 63 178.724 178.724 177.020 1.704 25703 5422 1 10 . 1 1 63 63 VAL CA C 63 65.878 65.878 65.174 0.703 25703 5423 1 10 . 1 1 63 63 VAL CB C 63 31.718 31.718 31.843 -0.125 25703 5424 1 10 . 1 1 63 63 VAL H H 63 7.263 7.263 7.766 -0.503 25703 5425 1 10 . 1 1 64 64 ALA N N 64 123.341 123.341 121.224 2.117 25703 5426 1 10 . 1 1 64 64 ALA HA H 64 3.774 3.774 3.397 0.377 25703 5427 1 10 . 1 1 64 64 ALA C C 64 177.984 177.984 179.479 -1.495 25703 5428 1 10 . 1 1 64 64 ALA CA C 64 56.326 56.326 55.025 1.301 25703 5429 1 10 . 1 1 64 64 ALA CB C 64 18.296 18.296 18.050 0.246 25703 5430 1 10 . 1 1 64 64 ALA H H 64 7.248 7.248 7.739 -0.491 25703 5431 1 10 . 1 1 65 65 GLN N N 65 118.749 118.749 117.043 1.706 25703 5432 1 10 . 1 1 65 65 GLN HA H 65 4.013 4.013 4.066 -0.053 25703 5433 1 10 . 1 1 65 65 GLN CA C 65 59.524 59.524 58.380 1.144 25703 5434 1 10 . 1 1 65 65 GLN CB C 65 28.802 28.802 28.433 0.369 25703 5435 1 10 . 1 1 65 65 GLN H H 65 8.276 8.276 7.817 0.459 25703 5436 1 10 . 1 1 66 66 LYS N N 66 120.950 120.950 120.832 0.118 25703 5437 1 10 . 1 1 66 66 LYS HA H 66 4.033 4.033 4.059 -0.026 25703 5438 1 10 . 1 1 66 66 LYS C C 66 176.439 176.439 178.271 -1.832 25703 5439 1 10 . 1 1 66 66 LYS CA C 66 59.276 59.276 58.993 0.283 25703 5440 1 10 . 1 1 66 66 LYS CB C 66 32.706 32.706 32.229 0.477 25703 5441 1 10 . 1 1 66 66 LYS H H 66 7.984 7.984 8.104 -0.120 25703 5442 1 10 . 1 1 67 67 ASN N N 67 115.512 115.512 114.600 0.912 25703 5443 1 10 . 1 1 67 67 ASN HA H 67 4.698 4.698 4.905 -0.207 25703 5444 1 10 . 1 1 67 67 ASN C C 67 171.075 171.075 173.801 -2.726 25703 5445 1 10 . 1 1 67 67 ASN CA C 67 54.555 54.555 53.420 1.135 25703 5446 1 10 . 1 1 67 67 ASN CB C 67 40.572 40.572 38.858 1.714 25703 5447 1 10 . 1 1 67 67 ASN H H 67 7.052 7.052 7.708 -0.656 25703 5448 1 10 . 1 1 68 68 GLU N N 68 115.540 115.540 115.572 -0.032 25703 5449 1 10 . 1 1 68 68 GLU HA H 68 3.724 3.724 3.856 -0.132 25703 5450 1 10 . 1 1 68 68 GLU C C 68 175.135 175.135 174.964 0.171 25703 5451 1 10 . 1 1 68 68 GLU CA C 68 57.472 57.472 56.753 0.719 25703 5452 1 10 . 1 1 68 68 GLU CB C 68 27.320 27.320 27.085 0.235 25703 5453 1 10 . 1 1 68 68 GLU H H 68 7.708 7.708 7.663 0.045 25703 5454 1 10 . 1 1 69 69 VAL N N 69 121.037 121.037 119.965 1.072 25703 5455 1 10 . 1 1 69 69 VAL HA H 69 3.891 3.891 3.753 0.138 25703 5456 1 10 . 1 1 69 69 VAL C C 69 174.845 174.845 175.861 -1.016 25703 5457 1 10 . 1 1 69 69 VAL CA C 69 63.315 63.315 63.720 -0.405 25703 5458 1 10 . 1 1 69 69 VAL CB C 69 31.259 31.259 31.292 -0.033 25703 5459 1 10 . 1 1 69 69 VAL H H 69 7.786 7.786 8.173 -0.387 25703 5460 1 10 . 1 1 70 70 SER N N 70 123.071 123.071 123.612 -0.541 25703 5461 1 10 . 1 1 70 70 SER HA H 70 4.453 4.453 4.493 -0.040 25703 5462 1 10 . 1 1 70 70 SER C C 70 172.450 172.450 173.957 -1.507 25703 5463 1 10 . 1 1 70 70 SER CA C 70 58.194 58.194 58.478 -0.284 25703 5464 1 10 . 1 1 70 70 SER CB C 70 65.148 65.148 64.087 1.061 25703 5465 1 10 . 1 1 70 70 SER H H 70 8.556 8.556 8.335 0.221 25703 5466 1 10 . 1 1 71 71 ALA N N 71 127.000 127.000 126.756 0.244 25703 5467 1 10 . 1 1 71 71 ALA HA H 71 4.554 4.554 4.579 -0.025 25703 5468 1 10 . 1 1 71 71 ALA C C 71 175.018 175.018 175.835 -0.817 25703 5469 1 10 . 1 1 71 71 ALA CA C 71 51.898 51.898 51.330 0.568 25703 5470 1 10 . 1 1 71 71 ALA CB C 71 21.560 21.560 19.506 2.054 25703 5471 1 10 . 1 1 71 71 ALA H H 71 7.884 7.884 8.091 -0.207 25703 5472 1 10 . 1 1 72 72 MET N N 72 120.240 120.240 123.221 -2.981 25703 5473 1 10 . 1 1 72 72 MET HA H 72 4.827 4.827 5.082 -0.255 25703 5474 1 10 . 1 1 72 72 MET CA C 72 57.888 57.888 51.010 6.878 25703 5475 1 10 . 1 1 72 72 MET CB C 72 36.102 36.102 31.921 4.181 25703 5476 1 10 . 1 1 72 72 MET H H 72 8.664 8.664 8.429 0.235 25703 5477 1 10 . 1 1 73 73 PRO HA H 73 4.988 4.988 4.930 0.058 25703 5478 1 10 . 1 1 73 73 PRO C C 73 175.162 175.162 176.342 -1.180 25703 5479 1 10 . 1 1 73 73 PRO CA C 73 64.042 64.042 62.409 1.633 25703 5480 1 10 . 1 1 73 73 PRO CB C 73 35.151 35.151 33.025 2.126 25703 5481 1 10 . 1 1 74 74 THR N N 74 114.942 114.942 116.637 -1.695 25703 5482 1 10 . 1 1 74 74 THR HA H 74 4.995 4.995 4.677 0.318 25703 5483 1 10 . 1 1 74 74 THR C C 74 170.891 170.891 173.689 -2.798 25703 5484 1 10 . 1 1 74 74 THR CA C 74 63.926 63.926 62.368 1.558 25703 5485 1 10 . 1 1 74 74 THR CB C 74 73.856 73.856 70.547 3.309 25703 5486 1 10 . 1 1 74 74 THR H H 74 7.490 7.490 8.270 -0.780 25703 5487 1 10 . 1 1 75 75 LEU N N 75 132.149 132.149 129.393 2.756 25703 5488 1 10 . 1 1 75 75 LEU HA H 75 5.493 5.493 5.104 0.389 25703 5489 1 10 . 1 1 75 75 LEU C C 75 174.331 174.331 175.058 -0.727 25703 5490 1 10 . 1 1 75 75 LEU CA C 75 53.852 53.852 54.197 -0.345 25703 5491 1 10 . 1 1 75 75 LEU CB C 75 45.160 45.160 42.141 3.019 25703 5492 1 10 . 1 1 75 75 LEU H H 75 9.427 9.427 8.611 0.816 25703 5493 1 10 . 1 1 76 76 LEU N N 76 124.814 124.814 125.698 -0.884 25703 5494 1 10 . 1 1 76 76 LEU HA H 76 4.932 4.932 4.854 0.078 25703 5495 1 10 . 1 1 76 76 LEU C C 76 173.732 173.732 175.822 -2.090 25703 5496 1 10 . 1 1 76 76 LEU CA C 76 54.032 54.032 53.909 0.123 25703 5497 1 10 . 1 1 76 76 LEU CB C 76 46.726 46.726 43.439 3.287 25703 5498 1 10 . 1 1 76 76 LEU H H 76 9.240 9.240 8.872 0.368 25703 5499 1 10 . 1 1 77 77 LEU N N 77 123.770 123.770 120.977 2.793 25703 5500 1 10 . 1 1 77 77 LEU HA H 77 5.251 5.251 5.538 -0.287 25703 5501 1 10 . 1 1 77 77 LEU C C 77 174.442 174.442 176.078 -1.636 25703 5502 1 10 . 1 1 77 77 LEU CA C 77 55.087 55.087 53.507 1.580 25703 5503 1 10 . 1 1 77 77 LEU CB C 77 43.250 43.250 42.651 0.599 25703 5504 1 10 . 1 1 77 77 LEU H H 77 8.175 8.175 8.030 0.145 25703 5505 1 10 . 1 1 78 78 PHE N N 78 122.975 122.975 122.999 -0.024 25703 5506 1 10 . 1 1 78 78 PHE HA H 78 5.397 5.397 4.942 0.455 25703 5507 1 10 . 1 1 78 78 PHE C C 78 173.920 173.920 174.740 -0.820 25703 5508 1 10 . 1 1 78 78 PHE CA C 78 56.867 56.867 57.299 -0.432 25703 5509 1 10 . 1 1 78 78 PHE CB C 78 44.858 44.858 43.299 1.559 25703 5510 1 10 . 1 1 78 78 PHE H H 78 9.742 9.742 9.355 0.387 25703 5511 1 10 . 1 1 79 79 LYS N N 79 118.164 118.164 121.605 -3.441 25703 5512 1 10 . 1 1 79 79 LYS HA H 79 4.817 4.817 4.782 0.035 25703 5513 1 10 . 1 1 79 79 LYS C C 79 177.194 177.194 176.249 0.945 25703 5514 1 10 . 1 1 79 79 LYS CA C 79 57.980 57.980 54.839 3.141 25703 5515 1 10 . 1 1 79 79 LYS CB C 79 37.031 37.031 33.901 3.130 25703 5516 1 10 . 1 1 79 79 LYS H H 79 8.745 8.745 8.584 0.161 25703 5517 1 10 . 1 1 80 80 ASN N N 80 126.660 126.660 125.523 1.137 25703 5518 1 10 . 1 1 80 80 ASN HA H 80 4.291 4.291 4.370 -0.079 25703 5519 1 10 . 1 1 80 80 ASN C C 80 174.868 174.868 175.763 -0.895 25703 5520 1 10 . 1 1 80 80 ASN CA C 80 54.925 54.925 53.965 0.960 25703 5521 1 10 . 1 1 80 80 ASN CB C 80 38.055 38.055 36.297 1.758 25703 5522 1 10 . 1 1 80 80 ASN H H 80 8.893 8.893 9.138 -0.245 25703 5523 1 10 . 1 1 81 81 GLY N N 81 103.991 103.991 105.464 -1.473 25703 5524 1 10 . 1 1 81 81 GLY C C 81 172.724 172.724 174.789 -2.065 25703 5525 1 10 . 1 1 81 81 GLY CA C 81 46.145 46.145 45.550 0.595 25703 5526 1 10 . 1 1 81 81 GLY H H 81 8.639 8.639 8.842 -0.203 25703 5527 1 10 . 1 1 82 82 LYS N N 82 120.266 120.266 120.111 0.155 25703 5528 1 10 . 1 1 82 82 LYS HA H 82 4.937 4.937 4.380 0.557 25703 5529 1 10 . 1 1 82 82 LYS C C 82 174.364 174.364 176.127 -1.763 25703 5530 1 10 . 1 1 82 82 LYS CA C 82 55.602 55.602 55.676 -0.074 25703 5531 1 10 . 1 1 82 82 LYS CB C 82 35.830 35.830 33.373 2.457 25703 5532 1 10 . 1 1 82 82 LYS H H 82 7.576 7.576 8.177 -0.601 25703 5533 1 10 . 1 1 83 83 GLU N N 83 126.445 126.445 118.053 8.392 25703 5534 1 10 . 1 1 83 83 GLU HA H 83 3.867 3.867 3.705 0.162 25703 5535 1 10 . 1 1 83 83 GLU C C 83 176.728 176.728 173.787 2.941 25703 5536 1 10 . 1 1 83 83 GLU CA C 83 57.345 57.345 57.230 0.115 25703 5537 1 10 . 1 1 83 83 GLU CB C 83 30.927 30.927 29.465 1.462 25703 5538 1 10 . 1 1 83 83 GLU H H 83 8.819 8.819 7.731 1.088 25703 5539 1 10 . 1 1 84 84 VAL N N 84 123.147 123.147 120.080 3.067 25703 5540 1 10 . 1 1 84 84 VAL HA H 84 4.417 4.417 4.209 0.208 25703 5541 1 10 . 1 1 84 84 VAL C C 84 175.128 175.128 173.988 1.140 25703 5542 1 10 . 1 1 84 84 VAL CA C 84 61.453 61.453 62.080 -0.627 25703 5543 1 10 . 1 1 84 84 VAL CB C 84 33.692 33.692 35.059 -1.367 25703 5544 1 10 . 1 1 84 84 VAL H H 84 9.258 9.258 8.009 1.249 25703 5545 1 10 . 1 1 85 85 ALA N N 85 122.281 122.281 121.209 1.072 25703 5546 1 10 . 1 1 85 85 ALA HA H 85 4.414 4.414 4.585 -0.171 25703 5547 1 10 . 1 1 85 85 ALA C C 85 173.291 173.291 174.533 -1.242 25703 5548 1 10 . 1 1 85 85 ALA CA C 85 53.133 53.133 51.713 1.420 25703 5549 1 10 . 1 1 85 85 ALA CB C 85 22.544 22.544 21.289 1.255 25703 5550 1 10 . 1 1 85 85 ALA H H 85 7.573 7.573 7.657 -0.084 25703 5551 1 10 . 1 1 86 86 LYS N N 86 120.704 120.704 121.819 -1.115 25703 5552 1 10 . 1 1 86 86 LYS HA H 86 4.933 4.933 4.551 0.382 25703 5553 1 10 . 1 1 86 86 LYS C C 86 174.506 174.506 174.463 0.043 25703 5554 1 10 . 1 1 86 86 LYS CA C 86 55.860 55.860 55.716 0.144 25703 5555 1 10 . 1 1 86 86 LYS CB C 86 35.979 35.979 33.829 2.150 25703 5556 1 10 . 1 1 86 86 LYS H H 86 8.014 8.014 8.240 -0.226 25703 5557 1 10 . 1 1 87 87 VAL N N 87 126.817 126.817 125.196 1.621 25703 5558 1 10 . 1 1 87 87 VAL HA H 87 4.276 4.276 4.452 -0.176 25703 5559 1 10 . 1 1 87 87 VAL C C 87 174.002 174.002 174.383 -0.381 25703 5560 1 10 . 1 1 87 87 VAL CA C 87 62.070 62.070 60.993 1.077 25703 5561 1 10 . 1 1 87 87 VAL CB C 87 34.958 34.958 34.643 0.315 25703 5562 1 10 . 1 1 87 87 VAL H H 87 9.186 9.186 8.946 0.240 25703 5563 1 10 . 1 1 88 88 VAL N N 88 129.683 129.683 125.382 4.301 25703 5564 1 10 . 1 1 88 88 VAL HA H 88 4.446 4.446 4.316 0.130 25703 5565 1 10 . 1 1 88 88 VAL C C 88 175.594 175.594 174.685 0.909 25703 5566 1 10 . 1 1 88 88 VAL CA C 88 62.462 62.462 61.154 1.308 25703 5567 1 10 . 1 1 88 88 VAL CB C 88 33.275 33.275 32.191 1.084 25703 5568 1 10 . 1 1 88 88 VAL H H 88 9.026 9.026 8.495 0.531 25703 5569 1 10 . 1 1 89 89 GLY N N 89 114.918 114.918 115.654 -0.736 25703 5570 1 10 . 1 1 89 89 GLY CA C 89 44.014 44.014 45.928 -1.914 25703 5571 1 10 . 1 1 89 89 GLY H H 89 8.298 8.298 8.062 0.236 25703 5572 1 10 . 1 1 90 90 ALA HA H 90 4.227 4.227 3.970 0.257 25703 5573 1 10 . 1 1 90 90 ALA C C 90 174.279 174.279 175.072 -0.793 25703 5574 1 10 . 1 1 90 90 ALA CA C 90 50.915 50.915 53.101 -2.186 25703 5575 1 10 . 1 1 90 90 ALA CB C 90 18.480 18.480 18.049 0.431 25703 5576 1 10 . 1 1 91 91 ASN N N 91 121.022 121.022 118.660 2.362 25703 5577 1 10 . 1 1 91 91 ASN HA H 91 5.114 5.114 4.998 0.116 25703 5578 1 10 . 1 1 91 91 ASN CA C 91 50.500 50.500 50.355 0.145 25703 5579 1 10 . 1 1 91 91 ASN CB C 91 39.514 39.514 38.585 0.929 25703 5580 1 10 . 1 1 91 91 ASN H H 91 7.360 7.360 8.347 -0.987 25703 5581 1 10 . 1 1 92 92 PRO HA H 92 4.116 4.116 4.319 -0.203 25703 5582 1 10 . 1 1 92 92 PRO CA C 92 63.392 63.392 64.563 -1.171 25703 5583 1 10 . 1 1 93 93 ALA HA H 93 4.074 4.074 4.432 -0.358 25703 5584 1 10 . 1 1 93 93 ALA C C 93 179.673 179.673 179.108 0.565 25703 5585 1 10 . 1 1 93 93 ALA CA C 93 55.353 55.353 53.810 1.543 25703 5586 1 10 . 1 1 93 93 ALA CB C 93 18.455 18.455 18.412 0.043 25703 5587 1 10 . 1 1 94 94 ALA N N 94 121.514 121.514 120.944 0.570 25703 5588 1 10 . 1 1 94 94 ALA HA H 94 4.064 4.064 4.193 -0.129 25703 5589 1 10 . 1 1 94 94 ALA C C 94 180.373 180.373 179.110 1.263 25703 5590 1 10 . 1 1 94 94 ALA CA C 94 55.418 55.418 54.060 1.357 25703 5591 1 10 . 1 1 94 94 ALA CB C 94 19.268 19.268 18.293 0.976 25703 5592 1 10 . 1 1 94 94 ALA H H 94 7.228 7.228 8.103 -0.875 25703 5593 1 10 . 1 1 95 95 ILE N N 95 120.330 120.330 119.130 1.200 25703 5594 1 10 . 1 1 95 95 ILE HA H 95 3.358 3.358 3.796 -0.438 25703 5595 1 10 . 1 1 95 95 ILE C C 95 175.639 175.639 176.962 -1.323 25703 5596 1 10 . 1 1 95 95 ILE CA C 95 66.564 66.564 62.688 3.877 25703 5597 1 10 . 1 1 95 95 ILE CB C 95 38.854 38.854 38.083 0.771 25703 5598 1 10 . 1 1 95 95 ILE H H 95 7.738 7.738 7.674 0.064 25703 5599 1 10 . 1 1 96 96 LYS N N 96 119.846 119.846 118.981 0.865 25703 5600 1 10 . 1 1 96 96 LYS HA H 96 3.144 3.144 4.016 -0.872 25703 5601 1 10 . 1 1 96 96 LYS C C 96 177.288 177.288 179.031 -1.743 25703 5602 1 10 . 1 1 96 96 LYS CA C 96 60.420 60.420 59.246 1.174 25703 5603 1 10 . 1 1 96 96 LYS CB C 96 32.612 32.612 31.413 1.199 25703 5604 1 10 . 1 1 96 96 LYS H H 96 8.087 8.087 7.796 0.291 25703 5605 1 10 . 1 1 97 97 GLN N N 97 116.484 116.484 119.705 -3.221 25703 5606 1 10 . 1 1 97 97 GLN HA H 97 3.848 3.848 4.027 -0.179 25703 5607 1 10 . 1 1 97 97 GLN C C 97 177.461 177.461 178.124 -0.663 25703 5608 1 10 . 1 1 97 97 GLN CA C 97 59.069 59.069 58.768 0.301 25703 5609 1 10 . 1 1 97 97 GLN CB C 97 28.799 28.799 27.767 1.032 25703 5610 1 10 . 1 1 97 97 GLN H H 97 7.700 7.700 7.853 -0.153 25703 5611 1 10 . 1 1 98 98 ALA N N 98 121.852 121.852 120.557 1.295 25703 5612 1 10 . 1 1 98 98 ALA HA H 98 3.921 3.921 4.146 -0.225 25703 5613 1 10 . 1 1 98 98 ALA C C 98 174.452 174.452 179.859 -5.407 25703 5614 1 10 . 1 1 98 98 ALA CA C 98 55.207 55.207 54.481 0.726 25703 5615 1 10 . 1 1 98 98 ALA CB C 98 18.356 18.356 18.778 -0.422 25703 5616 1 10 . 1 1 98 98 ALA H H 98 7.456 7.456 7.471 -0.015 25703 5617 1 10 . 1 1 99 99 ILE N N 99 118.810 118.810 118.965 -0.155 25703 5618 1 10 . 1 1 99 99 ILE HA H 99 3.037 3.037 3.853 -0.816 25703 5619 1 10 . 1 1 99 99 ILE C C 99 176.476 176.476 177.408 -0.932 25703 5620 1 10 . 1 1 99 99 ILE CA C 99 65.925 65.925 62.306 3.619 25703 5621 1 10 . 1 1 99 99 ILE CB C 99 38.622 38.622 37.300 1.322 25703 5622 1 10 . 1 1 99 99 ILE H H 99 7.692 7.692 8.563 -0.871 25703 5623 1 10 . 1 1 100 100 ALA N N 100 120.478 120.478 121.050 -0.572 25703 5624 1 10 . 1 1 100 100 ALA HA H 100 3.713 3.713 4.299 -0.586 25703 5625 1 10 . 1 1 100 100 ALA C C 100 179.910 179.910 178.794 1.116 25703 5626 1 10 . 1 1 100 100 ALA CA C 100 55.491 55.491 53.785 1.706 25703 5627 1 10 . 1 1 100 100 ALA CB C 100 18.656 18.656 19.227 -0.571 25703 5628 1 10 . 1 1 100 100 ALA H H 100 8.164 8.164 8.183 -0.019 25703 5629 1 10 . 1 1 101 101 ALA N N 101 116.616 116.616 121.031 -4.415 25703 5630 1 10 . 1 1 101 101 ALA HA H 101 4.084 4.084 4.083 0.001 25703 5631 1 10 . 1 1 101 101 ALA C C 101 177.705 177.705 178.880 -1.175 25703 5632 1 10 . 1 1 101 101 ALA CA C 101 54.113 54.113 54.345 -0.232 25703 5633 1 10 . 1 1 101 101 ALA CB C 101 19.576 19.576 19.253 0.323 25703 5634 1 10 . 1 1 101 101 ALA H H 101 7.649 7.649 7.916 -0.267 25703 5635 1 10 . 1 1 102 102 ASN N N 102 114.293 114.293 115.294 -1.001 25703 5636 1 10 . 1 1 102 102 ASN HA H 102 4.753 4.753 4.672 0.081 25703 5637 1 10 . 1 1 102 102 ASN C C 102 172.210 172.210 176.000 -3.790 25703 5638 1 10 . 1 1 102 102 ASN CA C 102 54.809 54.809 53.935 0.874 25703 5639 1 10 . 1 1 102 102 ASN CB C 102 43.388 43.388 39.422 3.966 25703 5640 1 10 . 1 1 102 102 ASN H H 102 7.110 7.110 7.889 -0.779 25703 5641 1 11 . 1 1 2 2 VAL N N 2 125.982 125.982 120.962 5.020 25703 5642 1 11 . 1 1 2 2 VAL HA H 2 4.054 4.054 4.762 -0.708 25703 5643 1 11 . 1 1 2 2 VAL CA C 2 61.397 61.397 59.756 1.641 25703 5644 1 11 . 1 1 2 2 VAL CB C 2 32.844 32.844 33.361 -0.517 25703 5645 1 11 . 1 1 2 2 VAL H H 2 8.576 8.576 8.823 -0.247 25703 5646 1 11 . 1 1 3 3 THR N N 3 126.926 126.926 121.515 5.411 25703 5647 1 11 . 1 1 3 3 THR HA H 3 4.120 4.120 4.643 -0.523 25703 5648 1 11 . 1 1 3 3 THR C C 3 172.671 172.671 172.996 -0.325 25703 5649 1 11 . 1 1 3 3 THR CA C 3 64.010 64.010 60.711 3.300 25703 5650 1 11 . 1 1 3 3 THR CB C 3 70.030 70.030 71.115 -1.085 25703 5651 1 11 . 1 1 3 3 THR H H 3 7.787 7.787 8.650 -0.863 25703 5652 1 11 . 1 1 4 4 GLN N N 4 128.743 128.743 123.035 5.708 25703 5653 1 11 . 1 1 4 4 GLN HA H 4 4.726 4.726 4.677 0.049 25703 5654 1 11 . 1 1 4 4 GLN C C 4 176.254 176.254 174.684 1.570 25703 5655 1 11 . 1 1 4 4 GLN CA C 4 54.925 54.925 54.383 0.542 25703 5656 1 11 . 1 1 4 4 GLN CB C 4 30.039 30.039 29.688 0.351 25703 5657 1 11 . 1 1 4 4 GLN H H 4 8.976 8.976 8.377 0.599 25703 5658 1 11 . 1 1 5 5 PHE N N 5 127.295 127.295 123.745 3.550 25703 5659 1 11 . 1 1 5 5 PHE HA H 5 4.793 4.793 4.506 0.287 25703 5660 1 11 . 1 1 5 5 PHE C C 5 175.627 175.627 176.389 -0.762 25703 5661 1 11 . 1 1 5 5 PHE CA C 5 59.080 59.080 56.331 2.749 25703 5662 1 11 . 1 1 5 5 PHE CB C 5 41.083 41.083 41.936 -0.853 25703 5663 1 11 . 1 1 5 5 PHE H H 5 8.434 8.434 8.433 0.001 25703 5664 1 11 . 1 1 6 6 LYS N N 6 120.464 120.464 116.378 4.086 25703 5665 1 11 . 1 1 6 6 LYS HA H 6 4.623 4.623 4.449 0.174 25703 5666 1 11 . 1 1 6 6 LYS C C 6 176.504 176.504 175.890 0.614 25703 5667 1 11 . 1 1 6 6 LYS CA C 6 56.526 56.526 56.265 0.261 25703 5668 1 11 . 1 1 6 6 LYS CB C 6 34.660 34.660 33.579 1.081 25703 5669 1 11 . 1 1 6 6 LYS H H 6 9.821 9.821 8.543 1.278 25703 5670 1 11 . 1 1 7 7 THR N N 7 108.286 108.286 109.168 -0.882 25703 5671 1 11 . 1 1 7 7 THR HA H 7 4.738 4.738 4.537 0.201 25703 5672 1 11 . 1 1 7 7 THR C C 7 173.410 173.410 174.626 -1.216 25703 5673 1 11 . 1 1 7 7 THR CA C 7 59.287 59.287 60.121 -0.834 25703 5674 1 11 . 1 1 7 7 THR CB C 7 73.138 73.138 71.737 1.401 25703 5675 1 11 . 1 1 7 7 THR H H 7 7.467 7.467 7.388 0.079 25703 5676 1 11 . 1 1 8 8 ALA N N 8 125.007 125.007 124.694 0.313 25703 5677 1 11 . 1 1 8 8 ALA HA H 8 3.705 3.705 4.095 -0.390 25703 5678 1 11 . 1 1 8 8 ALA C C 8 178.859 178.859 179.456 -0.597 25703 5679 1 11 . 1 1 8 8 ALA CA C 8 55.453 55.453 55.286 0.167 25703 5680 1 11 . 1 1 8 8 ALA CB C 8 18.689 18.689 18.023 0.666 25703 5681 1 11 . 1 1 8 8 ALA H H 8 9.038 9.038 8.812 0.226 25703 5682 1 11 . 1 1 9 9 SER N N 9 113.408 113.408 114.047 -0.639 25703 5683 1 11 . 1 1 9 9 SER HA H 9 4.124 4.124 4.138 -0.014 25703 5684 1 11 . 1 1 9 9 SER C C 9 176.575 176.575 177.001 -0.426 25703 5685 1 11 . 1 1 9 9 SER CA C 9 61.528 61.528 61.451 0.077 25703 5686 1 11 . 1 1 9 9 SER CB C 9 62.703 62.703 61.868 0.835 25703 5687 1 11 . 1 1 9 9 SER H H 9 8.159 8.159 8.482 -0.323 25703 5688 1 11 . 1 1 10 10 GLU N N 10 123.005 123.005 121.635 1.370 25703 5689 1 11 . 1 1 10 10 GLU HA H 10 3.853 3.853 3.709 0.144 25703 5690 1 11 . 1 1 10 10 GLU C C 10 178.294 178.294 178.123 0.171 25703 5691 1 11 . 1 1 10 10 GLU CA C 10 59.266 59.266 58.596 0.669 25703 5692 1 11 . 1 1 10 10 GLU CB C 10 31.536 31.536 28.789 2.747 25703 5693 1 11 . 1 1 10 10 GLU H H 10 7.552 7.552 7.359 0.193 25703 5694 1 11 . 1 1 11 11 PHE N N 11 121.633 121.633 119.834 1.799 25703 5695 1 11 . 1 1 11 11 PHE HA H 11 2.864 2.864 3.798 -0.934 25703 5696 1 11 . 1 1 11 11 PHE C C 11 176.786 176.786 176.938 -0.152 25703 5697 1 11 . 1 1 11 11 PHE CA C 11 61.182 61.182 60.932 0.250 25703 5698 1 11 . 1 1 11 11 PHE CB C 11 38.202 38.202 39.191 -0.989 25703 5699 1 11 . 1 1 11 11 PHE H H 11 6.632 6.632 7.539 -0.907 25703 5700 1 11 . 1 1 12 12 ASP N N 12 118.991 118.991 119.070 -0.079 25703 5701 1 11 . 1 1 12 12 ASP HA H 12 3.841 3.841 3.597 0.244 25703 5702 1 11 . 1 1 12 12 ASP C C 12 178.286 178.286 178.404 -0.118 25703 5703 1 11 . 1 1 12 12 ASP CA C 12 57.547 57.547 57.431 0.116 25703 5704 1 11 . 1 1 12 12 ASP CB C 12 40.790 40.790 40.611 0.179 25703 5705 1 11 . 1 1 12 12 ASP H H 12 7.687 7.687 8.476 -0.789 25703 5706 1 11 . 1 1 13 13 SER N N 13 112.966 112.966 114.562 -1.596 25703 5707 1 11 . 1 1 13 13 SER HA H 13 4.022 4.022 4.096 -0.074 25703 5708 1 11 . 1 1 13 13 SER C C 13 175.827 175.827 175.788 0.039 25703 5709 1 11 . 1 1 13 13 SER CA C 13 61.410 61.410 60.915 0.495 25703 5710 1 11 . 1 1 13 13 SER CB C 13 63.499 63.499 63.193 0.306 25703 5711 1 11 . 1 1 13 13 SER H H 13 7.563 7.563 7.690 -0.127 25703 5712 1 11 . 1 1 14 14 ALA N N 14 124.823 124.823 122.746 2.077 25703 5713 1 11 . 1 1 14 14 ALA HA H 14 4.025 4.025 4.083 -0.058 25703 5714 1 11 . 1 1 14 14 ALA C C 14 179.909 179.909 179.922 -0.013 25703 5715 1 11 . 1 1 14 14 ALA CA C 14 54.710 54.710 54.749 -0.039 25703 5716 1 11 . 1 1 14 14 ALA CB C 14 19.286 19.286 18.928 0.358 25703 5717 1 11 . 1 1 14 14 ALA H H 14 7.671 7.671 7.169 0.502 25703 5718 1 11 . 1 1 15 15 ILE N N 15 108.002 108.002 114.988 -6.986 25703 5719 1 11 . 1 1 15 15 ILE HA H 15 3.721 3.721 3.817 -0.096 25703 5720 1 11 . 1 1 15 15 ILE C C 15 175.512 175.512 177.112 -1.600 25703 5721 1 11 . 1 1 15 15 ILE CA C 15 64.058 64.058 64.112 -0.054 25703 5722 1 11 . 1 1 15 15 ILE CB C 15 38.277 38.277 37.075 1.202 25703 5723 1 11 . 1 1 15 15 ILE H H 15 7.195 7.195 8.005 -0.810 25703 5724 1 11 . 1 1 16 16 ALA N N 16 123.051 123.051 121.206 1.845 25703 5725 1 11 . 1 1 16 16 ALA HA H 16 4.013 4.013 4.225 -0.212 25703 5726 1 11 . 1 1 16 16 ALA C C 16 176.636 176.636 177.843 -1.207 25703 5727 1 11 . 1 1 16 16 ALA CA C 16 52.318 52.318 52.449 -0.131 25703 5728 1 11 . 1 1 16 16 ALA CB C 16 18.956 18.956 18.595 0.361 25703 5729 1 11 . 1 1 16 16 ALA H H 16 6.623 6.623 7.460 -0.837 25703 5730 1 11 . 1 1 17 17 GLN N N 17 116.236 116.236 119.266 -3.030 25703 5731 1 11 . 1 1 17 17 GLN HA H 17 4.198 4.198 4.207 -0.009 25703 5732 1 11 . 1 1 17 17 GLN C C 17 174.965 174.965 174.863 0.102 25703 5733 1 11 . 1 1 17 17 GLN CA C 17 56.422 56.422 55.480 0.942 25703 5734 1 11 . 1 1 17 17 GLN CB C 17 34.338 34.338 29.408 4.930 25703 5735 1 11 . 1 1 17 17 GLN H H 17 7.140 7.140 7.640 -0.500 25703 5736 1 11 . 1 1 18 18 ASP N N 18 123.905 123.905 121.901 2.004 25703 5737 1 11 . 1 1 18 18 ASP HA H 18 4.998 4.998 4.544 0.454 25703 5738 1 11 . 1 1 18 18 ASP C C 18 174.817 174.817 175.048 -0.231 25703 5739 1 11 . 1 1 18 18 ASP CB C 18 39.414 39.414 39.253 0.161 25703 5740 1 11 . 1 1 18 18 ASP H H 18 8.651 8.651 8.785 -0.134 25703 5741 1 11 . 1 1 19 19 LYS N N 19 119.499 119.499 116.575 2.924 25703 5742 1 11 . 1 1 19 19 LYS HA H 19 4.384 4.384 4.478 -0.094 25703 5743 1 11 . 1 1 19 19 LYS C C 19 172.740 172.740 174.538 -1.798 25703 5744 1 11 . 1 1 19 19 LYS CA C 19 55.163 55.163 54.639 0.524 25703 5745 1 11 . 1 1 19 19 LYS CB C 19 34.721 34.721 35.085 -0.364 25703 5746 1 11 . 1 1 19 19 LYS H H 19 7.950 7.950 7.930 0.020 25703 5747 1 11 . 1 1 20 20 LEU N N 20 121.877 121.877 123.892 -2.015 25703 5748 1 11 . 1 1 20 20 LEU HA H 20 4.972 4.972 4.636 0.336 25703 5749 1 11 . 1 1 20 20 LEU C C 20 173.937 173.937 175.337 -1.400 25703 5750 1 11 . 1 1 20 20 LEU CA C 20 57.132 57.132 55.254 1.878 25703 5751 1 11 . 1 1 20 20 LEU CB C 20 42.012 42.012 41.081 0.931 25703 5752 1 11 . 1 1 20 20 LEU H H 20 8.641 8.641 8.642 -0.001 25703 5753 1 11 . 1 1 21 21 VAL N N 21 129.812 129.812 128.786 1.026 25703 5754 1 11 . 1 1 21 21 VAL HA H 21 4.439 4.439 4.809 -0.370 25703 5755 1 11 . 1 1 21 21 VAL C C 21 173.493 173.493 174.596 -1.103 25703 5756 1 11 . 1 1 21 21 VAL CA C 21 62.510 62.510 60.726 1.784 25703 5757 1 11 . 1 1 21 21 VAL CB C 21 34.732 34.732 33.344 1.388 25703 5758 1 11 . 1 1 21 21 VAL H H 21 9.263 9.263 8.794 0.469 25703 5759 1 11 . 1 1 22 22 VAL N N 22 131.684 131.684 130.062 1.622 25703 5760 1 11 . 1 1 22 22 VAL HA H 22 4.408 4.408 5.121 -0.713 25703 5761 1 11 . 1 1 22 22 VAL C C 22 174.331 174.331 174.044 0.287 25703 5762 1 11 . 1 1 22 22 VAL CA C 22 61.561 61.561 59.685 1.876 25703 5763 1 11 . 1 1 22 22 VAL CB C 22 33.630 33.630 33.902 -0.272 25703 5764 1 11 . 1 1 22 22 VAL H H 22 9.006 9.006 8.502 0.504 25703 5765 1 11 . 1 1 23 23 VAL N N 23 126.475 126.475 130.746 -4.271 25703 5766 1 11 . 1 1 23 23 VAL HA H 23 4.422 4.422 5.187 -0.765 25703 5767 1 11 . 1 1 23 23 VAL C C 23 174.342 174.342 174.421 -0.079 25703 5768 1 11 . 1 1 23 23 VAL CA C 23 61.672 61.672 59.866 1.806 25703 5769 1 11 . 1 1 23 23 VAL CB C 23 34.042 34.042 34.199 -0.157 25703 5770 1 11 . 1 1 23 23 VAL H H 23 9.551 9.551 8.220 1.331 25703 5771 1 11 . 1 1 24 24 ALA N N 24 131.649 131.649 128.243 3.406 25703 5772 1 11 . 1 1 24 24 ALA HA H 24 4.953 4.953 5.508 -0.555 25703 5773 1 11 . 1 1 24 24 ALA C C 24 174.683 174.683 176.165 -1.482 25703 5774 1 11 . 1 1 24 24 ALA CA C 24 51.712 51.712 49.289 2.423 25703 5775 1 11 . 1 1 24 24 ALA CB C 24 20.149 20.149 22.915 -2.766 25703 5776 1 11 . 1 1 24 24 ALA H H 24 8.991 8.991 8.427 0.564 25703 5777 1 11 . 1 1 25 25 PHE N N 25 124.535 124.535 122.153 2.382 25703 5778 1 11 . 1 1 25 25 PHE HA H 25 5.002 5.002 4.849 0.153 25703 5779 1 11 . 1 1 25 25 PHE C C 25 174.231 174.231 174.850 -0.619 25703 5780 1 11 . 1 1 25 25 PHE CA C 25 58.196 58.196 58.556 -0.360 25703 5781 1 11 . 1 1 25 25 PHE CB C 25 40.231 40.231 39.710 0.521 25703 5782 1 11 . 1 1 25 25 PHE H H 25 9.231 9.231 8.157 1.074 25703 5783 1 11 . 1 1 26 26 TYR N N 26 121.986 121.986 122.143 -0.157 25703 5784 1 11 . 1 1 26 26 TYR HA H 26 5.112 5.112 4.774 0.338 25703 5785 1 11 . 1 1 26 26 TYR C C 26 170.727 170.727 174.897 -4.170 25703 5786 1 11 . 1 1 26 26 TYR CA C 26 55.240 55.240 56.429 -1.189 25703 5787 1 11 . 1 1 26 26 TYR CB C 26 43.023 43.023 43.351 -0.328 25703 5788 1 11 . 1 1 26 26 TYR H H 26 8.869 8.869 8.972 -0.103 25703 5789 1 11 . 1 1 27 27 ALA N N 27 117.474 117.474 119.123 -1.649 25703 5790 1 11 . 1 1 27 27 ALA HA H 27 4.329 4.329 4.321 0.008 25703 5791 1 11 . 1 1 27 27 ALA C C 27 178.755 178.755 175.654 3.101 25703 5792 1 11 . 1 1 27 27 ALA CA C 27 50.966 50.966 51.196 -0.230 25703 5793 1 11 . 1 1 27 27 ALA CB C 27 22.735 22.735 20.021 2.714 25703 5794 1 11 . 1 1 27 27 ALA H H 27 6.235 6.235 8.202 -1.967 25703 5795 1 11 . 1 1 28 28 THR N N 28 119.624 119.624 113.967 5.657 25703 5796 1 11 . 1 1 28 28 THR HA H 28 3.907 3.907 4.033 -0.126 25703 5797 1 11 . 1 1 28 28 THR C C 28 174.360 174.360 175.451 -1.091 25703 5798 1 11 . 1 1 28 28 THR CA C 28 65.865 65.865 64.844 1.021 25703 5799 1 11 . 1 1 28 28 THR CB C 28 69.336 69.336 68.868 0.468 25703 5800 1 11 . 1 1 28 28 THR H H 28 10.381 10.381 8.061 2.320 25703 5801 1 11 . 1 1 29 29 TRP N N 29 115.983 115.983 121.075 -5.092 25703 5802 1 11 . 1 1 29 29 TRP HA H 29 4.590 4.590 4.678 -0.088 25703 5803 1 11 . 1 1 29 29 TRP CA C 29 53.924 53.924 56.061 -2.137 25703 5804 1 11 . 1 1 29 29 TRP CB C 29 29.460 29.460 29.000 0.460 25703 5805 1 11 . 1 1 29 29 TRP H H 29 6.472 6.472 6.833 -0.361 25703 5806 1 11 . 1 1 30 30 CYS HA H 30 3.857 3.857 4.405 -0.548 25703 5807 1 11 . 1 1 30 30 CYS CA C 30 58.536 58.536 58.347 0.189 25703 5808 1 11 . 1 1 30 30 CYS CB C 30 37.005 37.005 26.299 10.706 25703 5809 1 11 . 1 1 31 31 GLY CA C 31 48.989 48.989 47.376 1.613 25703 5810 1 11 . 1 1 32 32 PRO HA H 32 4.398 4.398 4.291 0.107 25703 5811 1 11 . 1 1 32 32 PRO C C 32 177.189 177.189 178.548 -1.359 25703 5812 1 11 . 1 1 32 32 PRO CA C 32 65.366 65.366 64.948 0.418 25703 5813 1 11 . 1 1 32 32 PRO CB C 32 32.289 32.289 31.097 1.192 25703 5814 1 11 . 1 1 33 33 CYS N N 33 111.468 111.468 114.169 -2.701 25703 5815 1 11 . 1 1 33 33 CYS HA H 33 4.223 4.223 3.501 0.722 25703 5816 1 11 . 1 1 33 33 CYS CA C 33 65.801 65.801 63.024 2.777 25703 5817 1 11 . 1 1 33 33 CYS CB C 33 34.949 34.949 25.906 9.043 25703 5818 1 11 . 1 1 33 33 CYS H H 33 7.991 7.991 8.624 -0.633 25703 5819 1 11 . 1 1 34 34 LYS HA H 34 3.968 3.968 4.070 -0.102 25703 5820 1 11 . 1 1 34 34 LYS C C 34 178.052 178.052 179.125 -1.073 25703 5821 1 11 . 1 1 34 34 LYS CA C 34 59.661 59.661 58.573 1.088 25703 5822 1 11 . 1 1 34 34 LYS CB C 34 32.513 32.513 31.713 0.800 25703 5823 1 11 . 1 1 35 35 MET N N 35 117.236 117.236 116.586 0.650 25703 5824 1 11 . 1 1 35 35 MET HA H 35 4.194 4.194 4.331 -0.137 25703 5825 1 11 . 1 1 35 35 MET C C 35 177.451 177.451 178.337 -0.886 25703 5826 1 11 . 1 1 35 35 MET CA C 35 57.938 57.938 58.477 -0.539 25703 5827 1 11 . 1 1 35 35 MET CB C 35 32.628 32.628 33.076 -0.448 25703 5828 1 11 . 1 1 35 35 MET H H 35 7.326 7.326 7.621 -0.295 25703 5829 1 11 . 1 1 36 36 ILE N N 36 113.758 113.758 118.429 -4.671 25703 5830 1 11 . 1 1 36 36 ILE HA H 36 4.345 4.345 4.043 0.302 25703 5831 1 11 . 1 1 36 36 ILE C C 36 176.183 176.183 176.592 -0.409 25703 5832 1 11 . 1 1 36 36 ILE CA C 36 60.656 60.656 62.134 -1.478 25703 5833 1 11 . 1 1 36 36 ILE CB C 36 39.657 39.657 36.969 2.688 25703 5834 1 11 . 1 1 36 36 ILE H H 36 7.315 7.315 8.335 -1.020 25703 5835 1 11 . 1 1 37 37 ALA N N 37 126.738 126.738 125.510 1.228 25703 5836 1 11 . 1 1 37 37 ALA HA H 37 4.095 4.095 4.541 -0.446 25703 5837 1 11 . 1 1 37 37 ALA CA C 37 57.562 57.562 56.285 1.277 25703 5838 1 11 . 1 1 37 37 ALA CB C 37 15.912 15.912 16.693 -0.781 25703 5839 1 11 . 1 1 37 37 ALA H H 37 7.447 7.447 7.566 -0.119 25703 5840 1 11 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.242 0.028 25703 5841 1 11 . 1 1 38 38 PRO C C 38 178.922 178.922 178.814 0.108 25703 5842 1 11 . 1 1 38 38 PRO CA C 38 65.743 65.743 65.566 0.177 25703 5843 1 11 . 1 1 38 38 PRO CB C 38 31.224 31.224 31.395 -0.171 25703 5844 1 11 . 1 1 39 39 MET N N 39 118.310 118.310 118.361 -0.051 25703 5845 1 11 . 1 1 39 39 MET HA H 39 3.859 3.859 4.219 -0.360 25703 5846 1 11 . 1 1 39 39 MET C C 39 174.441 174.441 178.931 -4.490 25703 5847 1 11 . 1 1 39 39 MET CA C 39 58.390 58.390 59.839 -1.449 25703 5848 1 11 . 1 1 39 39 MET CB C 39 31.394 31.394 32.625 -1.231 25703 5849 1 11 . 1 1 39 39 MET H H 39 7.063 7.063 7.397 -0.334 25703 5850 1 11 . 1 1 40 40 ILE N N 40 119.013 119.013 119.062 -0.049 25703 5851 1 11 . 1 1 40 40 ILE HA H 40 3.595 3.595 3.758 -0.163 25703 5852 1 11 . 1 1 40 40 ILE C C 40 177.267 177.267 177.992 -0.725 25703 5853 1 11 . 1 1 40 40 ILE CA C 40 64.393 64.393 64.708 -0.315 25703 5854 1 11 . 1 1 40 40 ILE CB C 40 36.259 36.259 37.409 -1.150 25703 5855 1 11 . 1 1 40 40 ILE H H 40 7.752 7.752 8.770 -1.018 25703 5856 1 11 . 1 1 41 41 GLU N N 41 119.530 119.530 119.939 -0.409 25703 5857 1 11 . 1 1 41 41 GLU HA H 41 3.572 3.572 3.842 -0.270 25703 5858 1 11 . 1 1 41 41 GLU C C 41 179.597 179.597 178.376 1.221 25703 5859 1 11 . 1 1 41 41 GLU CA C 41 59.878 59.878 59.421 0.457 25703 5860 1 11 . 1 1 41 41 GLU CB C 41 29.900 29.900 29.089 0.811 25703 5861 1 11 . 1 1 41 41 GLU H H 41 7.442 7.442 7.861 -0.419 25703 5862 1 11 . 1 1 42 42 LYS N N 42 122.053 122.053 119.951 2.102 25703 5863 1 11 . 1 1 42 42 LYS HA H 42 3.932 3.932 4.074 -0.142 25703 5864 1 11 . 1 1 42 42 LYS C C 42 179.390 179.390 179.050 0.340 25703 5865 1 11 . 1 1 42 42 LYS CA C 42 59.532 59.532 58.326 1.206 25703 5866 1 11 . 1 1 42 42 LYS CB C 42 31.281 31.281 31.699 -0.418 25703 5867 1 11 . 1 1 42 42 LYS H H 42 7.428 7.428 7.652 -0.224 25703 5868 1 11 . 1 1 43 43 PHE N N 43 120.250 120.250 118.450 1.800 25703 5869 1 11 . 1 1 43 43 PHE HA H 43 4.639 4.639 4.631 0.008 25703 5870 1 11 . 1 1 43 43 PHE C C 43 177.337 177.337 178.183 -0.846 25703 5871 1 11 . 1 1 43 43 PHE CA C 43 59.331 59.331 60.866 -1.535 25703 5872 1 11 . 1 1 43 43 PHE CB C 43 37.737 37.737 38.968 -1.231 25703 5873 1 11 . 1 1 43 43 PHE H H 43 8.337 8.337 8.378 -0.041 25703 5874 1 11 . 1 1 44 44 SER N N 44 117.203 117.203 113.612 3.591 25703 5875 1 11 . 1 1 44 44 SER HA H 44 2.967 2.967 4.302 -1.335 25703 5876 1 11 . 1 1 44 44 SER C C 44 174.934 174.934 175.919 -0.985 25703 5877 1 11 . 1 1 44 44 SER CA C 44 61.159 61.159 59.606 1.553 25703 5878 1 11 . 1 1 44 44 SER CB C 44 62.353 62.353 62.895 -0.542 25703 5879 1 11 . 1 1 44 44 SER H H 44 7.754 7.754 7.982 -0.228 25703 5880 1 11 . 1 1 45 45 GLU N N 45 121.664 121.664 120.719 0.945 25703 5881 1 11 . 1 1 45 45 GLU HA H 45 4.049 4.049 4.389 -0.340 25703 5882 1 11 . 1 1 45 45 GLU C C 45 177.360 177.360 177.310 0.050 25703 5883 1 11 . 1 1 45 45 GLU CA C 45 57.739 57.739 57.506 0.233 25703 5884 1 11 . 1 1 45 45 GLU CB C 45 30.191 30.191 30.232 -0.041 25703 5885 1 11 . 1 1 45 45 GLU H H 45 6.884 6.884 7.719 -0.835 25703 5886 1 11 . 1 1 46 46 GLN N N 46 118.766 118.766 116.874 1.892 25703 5887 1 11 . 1 1 46 46 GLN HA H 46 3.948 3.948 4.420 -0.472 25703 5888 1 11 . 1 1 46 46 GLN C C 46 177.431 177.431 175.794 1.637 25703 5889 1 11 . 1 1 46 46 GLN CA C 46 58.372 58.372 55.011 3.361 25703 5890 1 11 . 1 1 46 46 GLN CB C 46 30.160 30.160 28.683 1.477 25703 5891 1 11 . 1 1 46 46 GLN H H 46 7.551 7.551 7.489 0.062 25703 5892 1 11 . 1 1 47 47 TYR N N 47 117.012 117.012 121.286 -4.274 25703 5893 1 11 . 1 1 47 47 TYR HA H 47 4.971 4.971 4.764 0.207 25703 5894 1 11 . 1 1 47 47 TYR CA C 47 56.523 56.523 56.237 0.286 25703 5895 1 11 . 1 1 47 47 TYR CB C 47 38.479 38.479 38.105 0.374 25703 5896 1 11 . 1 1 47 47 TYR H H 47 7.426 7.426 7.396 0.030 25703 5897 1 11 . 1 1 48 48 PRO HA H 48 4.388 4.388 4.393 -0.005 25703 5898 1 11 . 1 1 48 48 PRO C C 48 176.927 176.927 177.133 -0.206 25703 5899 1 11 . 1 1 48 48 PRO CA C 48 65.425 65.425 64.265 1.160 25703 5900 1 11 . 1 1 48 48 PRO CB C 48 32.619 32.619 32.177 0.442 25703 5901 1 11 . 1 1 49 49 GLN N N 49 120.194 120.194 115.182 5.012 25703 5902 1 11 . 1 1 49 49 GLN HA H 49 4.369 4.369 4.326 0.043 25703 5903 1 11 . 1 1 49 49 GLN C C 49 174.438 174.438 175.001 -0.563 25703 5904 1 11 . 1 1 49 49 GLN CA C 49 56.832 56.832 55.154 1.677 25703 5905 1 11 . 1 1 49 49 GLN CB C 49 28.164 28.164 28.323 -0.159 25703 5906 1 11 . 1 1 49 49 GLN H H 49 9.624 9.624 8.429 1.195 25703 5907 1 11 . 1 1 50 50 ALA N N 50 128.180 128.180 122.361 5.819 25703 5908 1 11 . 1 1 50 50 ALA HA H 50 5.048 5.048 4.406 0.642 25703 5909 1 11 . 1 1 50 50 ALA C C 50 174.685 174.685 176.604 -1.919 25703 5910 1 11 . 1 1 50 50 ALA CA C 50 50.518 50.518 50.728 -0.210 25703 5911 1 11 . 1 1 50 50 ALA CB C 50 22.754 22.754 20.664 2.090 25703 5912 1 11 . 1 1 50 50 ALA H H 50 8.179 8.179 7.548 0.631 25703 5913 1 11 . 1 1 51 51 ASP N N 51 121.032 121.032 121.840 -0.808 25703 5914 1 11 . 1 1 51 51 ASP HA H 51 5.102 5.102 4.808 0.294 25703 5915 1 11 . 1 1 51 51 ASP C C 51 174.171 174.171 174.286 -0.115 25703 5916 1 11 . 1 1 51 51 ASP CA C 51 53.515 53.515 54.009 -0.494 25703 5917 1 11 . 1 1 51 51 ASP CB C 51 44.782 44.782 43.425 1.357 25703 5918 1 11 . 1 1 51 51 ASP H H 51 8.435 8.435 8.559 -0.124 25703 5919 1 11 . 1 1 52 52 PHE N N 52 121.696 121.696 123.538 -1.842 25703 5920 1 11 . 1 1 52 52 PHE HA H 52 5.172 5.172 4.807 0.365 25703 5921 1 11 . 1 1 52 52 PHE C C 52 174.110 174.110 173.433 0.677 25703 5922 1 11 . 1 1 52 52 PHE CA C 52 57.189 57.189 55.224 1.965 25703 5923 1 11 . 1 1 52 52 PHE CB C 52 42.291 42.291 41.068 1.223 25703 5924 1 11 . 1 1 52 52 PHE H H 52 8.983 8.983 8.580 0.403 25703 5925 1 11 . 1 1 53 53 TYR N N 53 122.042 122.042 125.188 -3.146 25703 5926 1 11 . 1 1 53 53 TYR HA H 53 5.495 5.495 5.252 0.243 25703 5927 1 11 . 1 1 53 53 TYR C C 53 174.002 174.002 174.757 -0.755 25703 5928 1 11 . 1 1 53 53 TYR CA C 53 56.214 56.214 55.578 0.636 25703 5929 1 11 . 1 1 53 53 TYR CB C 53 46.407 46.407 41.903 4.504 25703 5930 1 11 . 1 1 53 53 TYR H H 53 9.362 9.362 9.505 -0.143 25703 5931 1 11 . 1 1 54 54 LYS N N 54 116.808 116.808 121.448 -4.640 25703 5932 1 11 . 1 1 54 54 LYS HA H 54 5.505 5.505 4.907 0.598 25703 5933 1 11 . 1 1 54 54 LYS C C 54 172.792 172.792 175.101 -2.309 25703 5934 1 11 . 1 1 54 54 LYS CA C 54 53.943 53.943 55.448 -1.505 25703 5935 1 11 . 1 1 54 54 LYS CB C 54 36.950 36.950 35.204 1.746 25703 5936 1 11 . 1 1 54 54 LYS H H 54 8.463 8.463 8.869 -0.406 25703 5937 1 11 . 1 1 55 55 LEU N N 55 123.826 123.826 123.510 0.316 25703 5938 1 11 . 1 1 55 55 LEU HA H 55 4.472 4.472 4.549 -0.077 25703 5939 1 11 . 1 1 55 55 LEU C C 55 171.652 171.652 175.339 -3.687 25703 5940 1 11 . 1 1 55 55 LEU CA C 55 55.906 55.906 53.411 2.495 25703 5941 1 11 . 1 1 55 55 LEU CB C 55 46.528 46.528 44.150 2.378 25703 5942 1 11 . 1 1 55 55 LEU H H 55 8.688 8.688 9.085 -0.397 25703 5943 1 11 . 1 1 56 56 ASP N N 56 127.169 127.169 119.134 8.035 25703 5944 1 11 . 1 1 56 56 ASP HA H 56 4.130 4.130 4.809 -0.679 25703 5945 1 11 . 1 1 56 56 ASP C C 56 177.692 177.692 175.921 1.771 25703 5946 1 11 . 1 1 56 56 ASP CA C 56 54.074 54.074 53.311 0.763 25703 5947 1 11 . 1 1 56 56 ASP CB C 56 41.388 41.388 41.185 0.203 25703 5948 1 11 . 1 1 56 56 ASP H H 56 8.595 8.595 8.745 -0.150 25703 5949 1 11 . 1 1 57 57 VAL N N 57 123.562 123.562 122.800 0.762 25703 5950 1 11 . 1 1 57 57 VAL HA H 57 3.491 3.491 3.925 -0.434 25703 5951 1 11 . 1 1 57 57 VAL C C 57 175.413 175.413 175.179 0.234 25703 5952 1 11 . 1 1 57 57 VAL CA C 57 65.095 65.095 64.709 0.386 25703 5953 1 11 . 1 1 57 57 VAL CB C 57 31.658 31.658 32.143 -0.485 25703 5954 1 11 . 1 1 57 57 VAL H H 57 8.712 8.712 8.695 0.017 25703 5955 1 11 . 1 1 58 58 ASP N N 58 120.070 120.070 116.045 4.025 25703 5956 1 11 . 1 1 58 58 ASP HA H 58 4.827 4.827 4.454 0.373 25703 5957 1 11 . 1 1 58 58 ASP C C 58 177.131 177.131 177.473 -0.342 25703 5958 1 11 . 1 1 58 58 ASP CA C 58 57.693 57.693 56.358 1.335 25703 5959 1 11 . 1 1 58 58 ASP CB C 58 40.827 40.827 40.277 0.550 25703 5960 1 11 . 1 1 58 58 ASP H H 58 8.670 8.670 8.379 0.291 25703 5961 1 11 . 1 1 59 59 GLU N N 59 120.889 120.889 119.056 1.833 25703 5962 1 11 . 1 1 59 59 GLU HA H 59 4.358 4.358 4.481 -0.123 25703 5963 1 11 . 1 1 59 59 GLU C C 59 176.606 176.606 177.831 -1.225 25703 5964 1 11 . 1 1 59 59 GLU CA C 59 57.881 57.881 56.791 1.090 25703 5965 1 11 . 1 1 59 59 GLU CB C 59 32.138 32.138 31.470 0.668 25703 5966 1 11 . 1 1 59 59 GLU H H 59 7.616 7.616 7.648 -0.032 25703 5967 1 11 . 1 1 60 60 LEU N N 60 122.457 122.457 120.522 1.935 25703 5968 1 11 . 1 1 60 60 LEU HA H 60 4.916 4.916 4.607 0.309 25703 5969 1 11 . 1 1 60 60 LEU C C 60 176.538 176.538 177.344 -0.806 25703 5970 1 11 . 1 1 60 60 LEU CA C 60 52.864 52.864 53.172 -0.308 25703 5971 1 11 . 1 1 60 60 LEU CB C 60 42.270 42.270 39.221 3.049 25703 5972 1 11 . 1 1 60 60 LEU H H 60 7.690 7.690 8.587 -0.897 25703 5973 1 11 . 1 1 61 61 GLY N N 61 112.065 112.065 109.378 2.687 25703 5974 1 11 . 1 1 61 61 GLY C C 61 175.917 175.917 175.439 0.478 25703 5975 1 11 . 1 1 61 61 GLY CA C 61 48.760 48.760 46.888 1.872 25703 5976 1 11 . 1 1 61 61 GLY H H 61 8.267 8.267 7.769 0.498 25703 5977 1 11 . 1 1 62 62 ASP N N 62 120.904 120.904 121.646 -0.742 25703 5978 1 11 . 1 1 62 62 ASP HA H 62 4.302 4.302 4.366 -0.064 25703 5979 1 11 . 1 1 62 62 ASP C C 62 178.355 178.355 178.476 -0.121 25703 5980 1 11 . 1 1 62 62 ASP CA C 62 57.045 57.045 57.586 -0.541 25703 5981 1 11 . 1 1 62 62 ASP CB C 62 39.646 39.646 40.529 -0.883 25703 5982 1 11 . 1 1 62 62 ASP H H 62 9.155 9.155 8.061 1.094 25703 5983 1 11 . 1 1 63 63 VAL N N 63 121.465 121.465 119.865 1.600 25703 5984 1 11 . 1 1 63 63 VAL HA H 63 3.310 3.310 3.649 -0.339 25703 5985 1 11 . 1 1 63 63 VAL C C 63 178.724 178.724 177.521 1.203 25703 5986 1 11 . 1 1 63 63 VAL CA C 63 65.878 65.878 65.928 -0.050 25703 5987 1 11 . 1 1 63 63 VAL CB C 63 31.718 31.718 31.638 0.080 25703 5988 1 11 . 1 1 63 63 VAL H H 63 7.263 7.263 7.774 -0.511 25703 5989 1 11 . 1 1 64 64 ALA N N 64 123.341 123.341 121.021 2.320 25703 5990 1 11 . 1 1 64 64 ALA HA H 64 3.774 3.774 2.829 0.945 25703 5991 1 11 . 1 1 64 64 ALA C C 64 177.984 177.984 179.407 -1.423 25703 5992 1 11 . 1 1 64 64 ALA CA C 64 56.326 56.326 54.722 1.604 25703 5993 1 11 . 1 1 64 64 ALA CB C 64 18.296 18.296 17.623 0.673 25703 5994 1 11 . 1 1 64 64 ALA H H 64 7.248 7.248 7.520 -0.272 25703 5995 1 11 . 1 1 65 65 GLN N N 65 118.749 118.749 117.463 1.286 25703 5996 1 11 . 1 1 65 65 GLN HA H 65 4.013 4.013 3.971 0.042 25703 5997 1 11 . 1 1 65 65 GLN CA C 65 59.524 59.524 58.462 1.062 25703 5998 1 11 . 1 1 65 65 GLN CB C 65 28.802 28.802 28.601 0.202 25703 5999 1 11 . 1 1 65 65 GLN H H 65 8.276 8.276 7.895 0.381 25703 6000 1 11 . 1 1 66 66 LYS N N 66 120.950 120.950 120.881 0.069 25703 6001 1 11 . 1 1 66 66 LYS HA H 66 4.033 4.033 4.051 -0.018 25703 6002 1 11 . 1 1 66 66 LYS C C 66 176.439 176.439 178.027 -1.588 25703 6003 1 11 . 1 1 66 66 LYS CA C 66 59.276 59.276 59.020 0.256 25703 6004 1 11 . 1 1 66 66 LYS CB C 66 32.706 32.706 32.289 0.417 25703 6005 1 11 . 1 1 66 66 LYS H H 66 7.984 7.984 8.083 -0.099 25703 6006 1 11 . 1 1 67 67 ASN N N 67 115.512 115.512 114.441 1.071 25703 6007 1 11 . 1 1 67 67 ASN HA H 67 4.698 4.698 5.023 -0.325 25703 6008 1 11 . 1 1 67 67 ASN C C 67 171.075 171.075 173.867 -2.792 25703 6009 1 11 . 1 1 67 67 ASN CA C 67 54.555 54.555 53.298 1.257 25703 6010 1 11 . 1 1 67 67 ASN CB C 67 40.572 40.572 38.996 1.576 25703 6011 1 11 . 1 1 67 67 ASN H H 67 7.052 7.052 7.560 -0.508 25703 6012 1 11 . 1 1 68 68 GLU N N 68 115.540 115.540 116.099 -0.559 25703 6013 1 11 . 1 1 68 68 GLU HA H 68 3.724 3.724 3.845 -0.121 25703 6014 1 11 . 1 1 68 68 GLU C C 68 175.135 175.135 175.080 0.055 25703 6015 1 11 . 1 1 68 68 GLU CA C 68 57.472 57.472 57.137 0.335 25703 6016 1 11 . 1 1 68 68 GLU CB C 68 27.320 27.320 27.170 0.150 25703 6017 1 11 . 1 1 68 68 GLU H H 68 7.708 7.708 7.740 -0.032 25703 6018 1 11 . 1 1 69 69 VAL N N 69 121.037 121.037 119.211 1.826 25703 6019 1 11 . 1 1 69 69 VAL HA H 69 3.891 3.891 3.996 -0.105 25703 6020 1 11 . 1 1 69 69 VAL C C 69 174.845 174.845 175.163 -0.318 25703 6021 1 11 . 1 1 69 69 VAL CA C 69 63.315 63.315 63.541 -0.226 25703 6022 1 11 . 1 1 69 69 VAL CB C 69 31.259 31.259 31.926 -0.667 25703 6023 1 11 . 1 1 69 69 VAL H H 69 7.786 7.786 8.219 -0.433 25703 6024 1 11 . 1 1 70 70 SER N N 70 123.071 123.071 121.834 1.237 25703 6025 1 11 . 1 1 70 70 SER HA H 70 4.453 4.453 4.532 -0.079 25703 6026 1 11 . 1 1 70 70 SER C C 70 172.450 172.450 173.728 -1.278 25703 6027 1 11 . 1 1 70 70 SER CA C 70 58.194 58.194 58.724 -0.530 25703 6028 1 11 . 1 1 70 70 SER CB C 70 65.148 65.148 64.368 0.780 25703 6029 1 11 . 1 1 70 70 SER H H 70 8.556 8.556 8.742 -0.186 25703 6030 1 11 . 1 1 71 71 ALA N N 71 127.000 127.000 126.721 0.279 25703 6031 1 11 . 1 1 71 71 ALA HA H 71 4.554 4.554 4.706 -0.152 25703 6032 1 11 . 1 1 71 71 ALA C C 71 175.018 175.018 175.879 -0.861 25703 6033 1 11 . 1 1 71 71 ALA CA C 71 51.898 51.898 51.443 0.455 25703 6034 1 11 . 1 1 71 71 ALA CB C 71 21.560 21.560 19.538 2.022 25703 6035 1 11 . 1 1 71 71 ALA H H 71 7.884 7.884 8.121 -0.237 25703 6036 1 11 . 1 1 72 72 MET N N 72 120.240 120.240 122.346 -2.106 25703 6037 1 11 . 1 1 72 72 MET HA H 72 4.827 4.827 5.166 -0.339 25703 6038 1 11 . 1 1 72 72 MET CA C 72 57.888 57.888 51.800 6.088 25703 6039 1 11 . 1 1 72 72 MET CB C 72 36.102 36.102 32.374 3.728 25703 6040 1 11 . 1 1 72 72 MET H H 72 8.664 8.664 8.463 0.201 25703 6041 1 11 . 1 1 73 73 PRO HA H 73 4.988 4.988 4.981 0.007 25703 6042 1 11 . 1 1 73 73 PRO C C 73 175.162 175.162 176.470 -1.308 25703 6043 1 11 . 1 1 73 73 PRO CA C 73 64.042 64.042 62.175 1.867 25703 6044 1 11 . 1 1 73 73 PRO CB C 73 35.151 35.151 33.130 2.021 25703 6045 1 11 . 1 1 74 74 THR N N 74 114.942 114.942 116.875 -1.933 25703 6046 1 11 . 1 1 74 74 THR HA H 74 4.995 4.995 4.649 0.346 25703 6047 1 11 . 1 1 74 74 THR C C 74 170.891 170.891 173.236 -2.345 25703 6048 1 11 . 1 1 74 74 THR CA C 74 63.926 63.926 62.257 1.669 25703 6049 1 11 . 1 1 74 74 THR CB C 74 73.856 73.856 70.980 2.876 25703 6050 1 11 . 1 1 74 74 THR H H 74 7.490 7.490 8.459 -0.969 25703 6051 1 11 . 1 1 75 75 LEU N N 75 132.149 132.149 128.789 3.360 25703 6052 1 11 . 1 1 75 75 LEU HA H 75 5.493 5.493 4.921 0.572 25703 6053 1 11 . 1 1 75 75 LEU C C 75 174.331 174.331 174.894 -0.563 25703 6054 1 11 . 1 1 75 75 LEU CA C 75 53.852 53.852 53.948 -0.096 25703 6055 1 11 . 1 1 75 75 LEU CB C 75 45.160 45.160 42.420 2.740 25703 6056 1 11 . 1 1 75 75 LEU H H 75 9.427 9.427 8.570 0.857 25703 6057 1 11 . 1 1 76 76 LEU N N 76 124.814 124.814 124.951 -0.137 25703 6058 1 11 . 1 1 76 76 LEU HA H 76 4.932 4.932 4.730 0.202 25703 6059 1 11 . 1 1 76 76 LEU C C 76 173.732 173.732 176.039 -2.307 25703 6060 1 11 . 1 1 76 76 LEU CA C 76 54.032 54.032 53.702 0.330 25703 6061 1 11 . 1 1 76 76 LEU CB C 76 46.726 46.726 43.499 3.227 25703 6062 1 11 . 1 1 76 76 LEU H H 76 9.240 9.240 8.312 0.928 25703 6063 1 11 . 1 1 77 77 LEU N N 77 123.770 123.770 121.078 2.692 25703 6064 1 11 . 1 1 77 77 LEU HA H 77 5.251 5.251 4.901 0.350 25703 6065 1 11 . 1 1 77 77 LEU C C 77 174.442 174.442 175.964 -1.522 25703 6066 1 11 . 1 1 77 77 LEU CA C 77 55.087 55.087 54.176 0.911 25703 6067 1 11 . 1 1 77 77 LEU CB C 77 43.250 43.250 41.684 1.566 25703 6068 1 11 . 1 1 77 77 LEU H H 77 8.175 8.175 7.991 0.184 25703 6069 1 11 . 1 1 78 78 PHE N N 78 122.975 122.975 124.141 -1.166 25703 6070 1 11 . 1 1 78 78 PHE HA H 78 5.397 5.397 4.865 0.532 25703 6071 1 11 . 1 1 78 78 PHE C C 78 173.920 173.920 174.986 -1.066 25703 6072 1 11 . 1 1 78 78 PHE CA C 78 56.867 56.867 57.449 -0.582 25703 6073 1 11 . 1 1 78 78 PHE CB C 78 44.858 44.858 43.191 1.667 25703 6074 1 11 . 1 1 78 78 PHE H H 78 9.742 9.742 9.356 0.386 25703 6075 1 11 . 1 1 79 79 LYS N N 79 118.164 118.164 120.558 -2.394 25703 6076 1 11 . 1 1 79 79 LYS HA H 79 4.817 4.817 4.955 -0.138 25703 6077 1 11 . 1 1 79 79 LYS C C 79 177.194 177.194 176.118 1.076 25703 6078 1 11 . 1 1 79 79 LYS CA C 79 57.980 57.980 55.540 2.440 25703 6079 1 11 . 1 1 79 79 LYS CB C 79 37.031 37.031 35.299 1.732 25703 6080 1 11 . 1 1 79 79 LYS H H 79 8.745 8.745 8.552 0.193 25703 6081 1 11 . 1 1 80 80 ASN N N 80 126.660 126.660 124.655 2.005 25703 6082 1 11 . 1 1 80 80 ASN HA H 80 4.291 4.291 4.409 -0.118 25703 6083 1 11 . 1 1 80 80 ASN C C 80 174.868 174.868 175.931 -1.063 25703 6084 1 11 . 1 1 80 80 ASN CA C 80 54.925 54.925 53.972 0.953 25703 6085 1 11 . 1 1 80 80 ASN CB C 80 38.055 38.055 36.525 1.530 25703 6086 1 11 . 1 1 80 80 ASN H H 80 8.893 8.893 9.384 -0.491 25703 6087 1 11 . 1 1 81 81 GLY N N 81 103.991 103.991 104.850 -0.859 25703 6088 1 11 . 1 1 81 81 GLY C C 81 172.724 172.724 174.236 -1.512 25703 6089 1 11 . 1 1 81 81 GLY CA C 81 46.145 46.145 45.509 0.636 25703 6090 1 11 . 1 1 81 81 GLY H H 81 8.639 8.639 8.712 -0.073 25703 6091 1 11 . 1 1 82 82 LYS N N 82 120.266 120.266 120.112 0.154 25703 6092 1 11 . 1 1 82 82 LYS HA H 82 4.937 4.937 4.569 0.368 25703 6093 1 11 . 1 1 82 82 LYS C C 82 174.364 174.364 176.217 -1.853 25703 6094 1 11 . 1 1 82 82 LYS CA C 82 55.602 55.602 56.763 -1.161 25703 6095 1 11 . 1 1 82 82 LYS CB C 82 35.830 35.830 35.284 0.546 25703 6096 1 11 . 1 1 82 82 LYS H H 82 7.576 7.576 8.278 -0.702 25703 6097 1 11 . 1 1 83 83 GLU N N 83 126.445 126.445 115.460 10.985 25703 6098 1 11 . 1 1 83 83 GLU HA H 83 3.867 3.867 4.024 -0.157 25703 6099 1 11 . 1 1 83 83 GLU C C 83 176.728 176.728 173.863 2.865 25703 6100 1 11 . 1 1 83 83 GLU CA C 83 57.345 57.345 56.532 0.813 25703 6101 1 11 . 1 1 83 83 GLU CB C 83 30.927 30.927 31.673 -0.746 25703 6102 1 11 . 1 1 83 83 GLU H H 83 8.819 8.819 7.911 0.908 25703 6103 1 11 . 1 1 84 84 VAL N N 84 123.147 123.147 118.455 4.692 25703 6104 1 11 . 1 1 84 84 VAL HA H 84 4.417 4.417 4.215 0.202 25703 6105 1 11 . 1 1 84 84 VAL C C 84 175.128 175.128 173.514 1.614 25703 6106 1 11 . 1 1 84 84 VAL CA C 84 61.453 61.453 62.105 -0.652 25703 6107 1 11 . 1 1 84 84 VAL CB C 84 33.692 33.692 35.173 -1.481 25703 6108 1 11 . 1 1 84 84 VAL H H 84 9.258 9.258 8.339 0.919 25703 6109 1 11 . 1 1 85 85 ALA N N 85 122.281 122.281 120.765 1.516 25703 6110 1 11 . 1 1 85 85 ALA HA H 85 4.414 4.414 4.534 -0.120 25703 6111 1 11 . 1 1 85 85 ALA C C 85 173.291 173.291 174.172 -0.881 25703 6112 1 11 . 1 1 85 85 ALA CA C 85 53.133 53.133 51.618 1.515 25703 6113 1 11 . 1 1 85 85 ALA CB C 85 22.544 22.544 21.422 1.122 25703 6114 1 11 . 1 1 85 85 ALA H H 85 7.573 7.573 7.780 -0.207 25703 6115 1 11 . 1 1 86 86 LYS N N 86 120.704 120.704 120.715 -0.011 25703 6116 1 11 . 1 1 86 86 LYS HA H 86 4.933 4.933 4.471 0.462 25703 6117 1 11 . 1 1 86 86 LYS C C 86 174.506 174.506 174.544 -0.038 25703 6118 1 11 . 1 1 86 86 LYS CA C 86 55.860 55.860 55.232 0.628 25703 6119 1 11 . 1 1 86 86 LYS CB C 86 35.979 35.979 34.199 1.780 25703 6120 1 11 . 1 1 86 86 LYS H H 86 8.014 8.014 8.238 -0.224 25703 6121 1 11 . 1 1 87 87 VAL N N 87 126.817 126.817 126.303 0.514 25703 6122 1 11 . 1 1 87 87 VAL HA H 87 4.276 4.276 4.518 -0.242 25703 6123 1 11 . 1 1 87 87 VAL C C 87 174.002 174.002 174.110 -0.108 25703 6124 1 11 . 1 1 87 87 VAL CA C 87 62.070 62.070 61.201 0.869 25703 6125 1 11 . 1 1 87 87 VAL CB C 87 34.958 34.958 35.629 -0.671 25703 6126 1 11 . 1 1 87 87 VAL H H 87 9.186 9.186 8.487 0.699 25703 6127 1 11 . 1 1 88 88 VAL N N 88 129.683 129.683 124.838 4.845 25703 6128 1 11 . 1 1 88 88 VAL HA H 88 4.446 4.446 4.524 -0.078 25703 6129 1 11 . 1 1 88 88 VAL C C 88 175.594 175.594 174.712 0.882 25703 6130 1 11 . 1 1 88 88 VAL CA C 88 62.462 62.462 61.315 1.147 25703 6131 1 11 . 1 1 88 88 VAL CB C 88 33.275 33.275 32.947 0.328 25703 6132 1 11 . 1 1 88 88 VAL H H 88 9.026 9.026 8.411 0.615 25703 6133 1 11 . 1 1 89 89 GLY N N 89 114.918 114.918 116.584 -1.666 25703 6134 1 11 . 1 1 89 89 GLY CA C 89 44.014 44.014 45.891 -1.877 25703 6135 1 11 . 1 1 89 89 GLY H H 89 8.298 8.298 8.019 0.279 25703 6136 1 11 . 1 1 90 90 ALA HA H 90 4.227 4.227 3.999 0.228 25703 6137 1 11 . 1 1 90 90 ALA C C 90 174.279 174.279 175.149 -0.870 25703 6138 1 11 . 1 1 90 90 ALA CA C 90 50.915 50.915 52.548 -1.633 25703 6139 1 11 . 1 1 90 90 ALA CB C 90 18.480 18.480 18.386 0.094 25703 6140 1 11 . 1 1 91 91 ASN N N 91 121.022 121.022 118.696 2.326 25703 6141 1 11 . 1 1 91 91 ASN HA H 91 5.114 5.114 4.882 0.232 25703 6142 1 11 . 1 1 91 91 ASN CA C 91 50.500 50.500 50.715 -0.215 25703 6143 1 11 . 1 1 91 91 ASN CB C 91 39.514 39.514 38.728 0.786 25703 6144 1 11 . 1 1 91 91 ASN H H 91 7.360 7.360 8.322 -0.962 25703 6145 1 11 . 1 1 92 92 PRO HA H 92 4.116 4.116 4.201 -0.085 25703 6146 1 11 . 1 1 92 92 PRO CA C 92 63.392 63.392 64.350 -0.958 25703 6147 1 11 . 1 1 93 93 ALA HA H 93 4.074 4.074 4.222 -0.148 25703 6148 1 11 . 1 1 93 93 ALA C C 93 179.673 179.673 178.599 1.074 25703 6149 1 11 . 1 1 93 93 ALA CA C 93 55.353 55.353 53.741 1.612 25703 6150 1 11 . 1 1 93 93 ALA CB C 93 18.455 18.455 18.364 0.091 25703 6151 1 11 . 1 1 94 94 ALA N N 94 121.514 121.514 120.381 1.133 25703 6152 1 11 . 1 1 94 94 ALA HA H 94 4.064 4.064 4.150 -0.086 25703 6153 1 11 . 1 1 94 94 ALA C C 94 180.373 180.373 179.097 1.276 25703 6154 1 11 . 1 1 94 94 ALA CA C 94 55.418 55.418 53.973 1.445 25703 6155 1 11 . 1 1 94 94 ALA CB C 94 19.268 19.268 18.317 0.951 25703 6156 1 11 . 1 1 94 94 ALA H H 94 7.228 7.228 8.027 -0.799 25703 6157 1 11 . 1 1 95 95 ILE N N 95 120.330 120.330 119.042 1.288 25703 6158 1 11 . 1 1 95 95 ILE HA H 95 3.358 3.358 3.708 -0.350 25703 6159 1 11 . 1 1 95 95 ILE C C 95 175.639 175.639 177.195 -1.556 25703 6160 1 11 . 1 1 95 95 ILE CA C 95 66.564 66.564 62.944 3.619 25703 6161 1 11 . 1 1 95 95 ILE CB C 95 38.854 38.854 37.929 0.925 25703 6162 1 11 . 1 1 95 95 ILE H H 95 7.738 7.738 7.433 0.305 25703 6163 1 11 . 1 1 96 96 LYS N N 96 119.846 119.846 118.796 1.050 25703 6164 1 11 . 1 1 96 96 LYS HA H 96 3.144 3.144 3.976 -0.832 25703 6165 1 11 . 1 1 96 96 LYS C C 96 177.288 177.288 178.990 -1.702 25703 6166 1 11 . 1 1 96 96 LYS CA C 96 60.420 60.420 59.367 1.053 25703 6167 1 11 . 1 1 96 96 LYS CB C 96 32.612 32.612 31.442 1.171 25703 6168 1 11 . 1 1 96 96 LYS H H 96 8.087 8.087 7.380 0.707 25703 6169 1 11 . 1 1 97 97 GLN N N 97 116.484 116.484 119.243 -2.759 25703 6170 1 11 . 1 1 97 97 GLN HA H 97 3.848 3.848 4.071 -0.223 25703 6171 1 11 . 1 1 97 97 GLN C C 97 177.461 177.461 178.133 -0.672 25703 6172 1 11 . 1 1 97 97 GLN CA C 97 59.069 59.069 58.987 0.082 25703 6173 1 11 . 1 1 97 97 GLN CB C 97 28.799 28.799 28.316 0.483 25703 6174 1 11 . 1 1 97 97 GLN H H 97 7.700 7.700 7.650 0.050 25703 6175 1 11 . 1 1 98 98 ALA N N 98 121.852 121.852 121.235 0.617 25703 6176 1 11 . 1 1 98 98 ALA HA H 98 3.921 3.921 4.128 -0.207 25703 6177 1 11 . 1 1 98 98 ALA C C 98 174.452 174.452 179.806 -5.354 25703 6178 1 11 . 1 1 98 98 ALA CA C 98 55.207 55.207 54.540 0.667 25703 6179 1 11 . 1 1 98 98 ALA CB C 98 18.356 18.356 18.543 -0.187 25703 6180 1 11 . 1 1 98 98 ALA H H 98 7.456 7.456 7.592 -0.136 25703 6181 1 11 . 1 1 99 99 ILE N N 99 118.810 118.810 119.211 -0.401 25703 6182 1 11 . 1 1 99 99 ILE HA H 99 3.037 3.037 3.822 -0.785 25703 6183 1 11 . 1 1 99 99 ILE C C 99 176.476 176.476 177.441 -0.965 25703 6184 1 11 . 1 1 99 99 ILE CA C 99 65.925 65.925 62.402 3.523 25703 6185 1 11 . 1 1 99 99 ILE CB C 99 38.622 38.622 37.354 1.268 25703 6186 1 11 . 1 1 99 99 ILE H H 99 7.692 7.692 8.344 -0.652 25703 6187 1 11 . 1 1 100 100 ALA N N 100 120.478 120.478 122.361 -1.883 25703 6188 1 11 . 1 1 100 100 ALA HA H 100 3.713 3.713 4.116 -0.403 25703 6189 1 11 . 1 1 100 100 ALA C C 100 179.910 179.910 178.547 1.363 25703 6190 1 11 . 1 1 100 100 ALA CA C 100 55.491 55.491 53.637 1.854 25703 6191 1 11 . 1 1 100 100 ALA CB C 100 18.656 18.656 19.226 -0.570 25703 6192 1 11 . 1 1 100 100 ALA H H 100 8.164 8.164 8.261 -0.097 25703 6193 1 11 . 1 1 101 101 ALA N N 101 116.616 116.616 121.116 -4.500 25703 6194 1 11 . 1 1 101 101 ALA HA H 101 4.084 4.084 4.054 0.030 25703 6195 1 11 . 1 1 101 101 ALA C C 101 177.705 177.705 178.589 -0.884 25703 6196 1 11 . 1 1 101 101 ALA CA C 101 54.113 54.113 54.194 -0.081 25703 6197 1 11 . 1 1 101 101 ALA CB C 101 19.576 19.576 19.279 0.297 25703 6198 1 11 . 1 1 101 101 ALA H H 101 7.649 7.649 7.925 -0.276 25703 6199 1 11 . 1 1 102 102 ASN N N 102 114.293 114.293 115.143 -0.850 25703 6200 1 11 . 1 1 102 102 ASN HA H 102 4.753 4.753 4.829 -0.076 25703 6201 1 11 . 1 1 102 102 ASN C C 102 172.210 172.210 175.633 -3.423 25703 6202 1 11 . 1 1 102 102 ASN CA C 102 54.809 54.809 52.868 1.941 25703 6203 1 11 . 1 1 102 102 ASN CB C 102 43.388 43.388 39.919 3.469 25703 6204 1 11 . 1 1 102 102 ASN H H 102 7.110 7.110 7.896 -0.786 25703 6205 1 12 . 1 1 2 2 VAL N N 2 125.982 125.982 126.245 -0.263 25703 6206 1 12 . 1 1 2 2 VAL HA H 2 4.054 4.054 4.783 -0.729 25703 6207 1 12 . 1 1 2 2 VAL CA C 2 61.397 61.397 60.346 1.051 25703 6208 1 12 . 1 1 2 2 VAL CB C 2 32.844 32.844 33.523 -0.679 25703 6209 1 12 . 1 1 2 2 VAL H H 2 8.576 8.576 8.486 0.090 25703 6210 1 12 . 1 1 3 3 THR N N 3 126.926 126.926 122.877 4.049 25703 6211 1 12 . 1 1 3 3 THR HA H 3 4.120 4.120 4.554 -0.434 25703 6212 1 12 . 1 1 3 3 THR C C 3 172.671 172.671 173.175 -0.504 25703 6213 1 12 . 1 1 3 3 THR CA C 3 64.010 64.010 62.578 1.431 25703 6214 1 12 . 1 1 3 3 THR CB C 3 70.030 70.030 70.174 -0.144 25703 6215 1 12 . 1 1 3 3 THR H H 3 7.787 7.787 8.345 -0.558 25703 6216 1 12 . 1 1 4 4 GLN N N 4 128.743 128.743 123.306 5.437 25703 6217 1 12 . 1 1 4 4 GLN HA H 4 4.726 4.726 4.816 -0.090 25703 6218 1 12 . 1 1 4 4 GLN C C 4 176.254 176.254 174.813 1.441 25703 6219 1 12 . 1 1 4 4 GLN CA C 4 54.925 54.925 54.266 0.659 25703 6220 1 12 . 1 1 4 4 GLN CB C 4 30.039 30.039 30.184 -0.145 25703 6221 1 12 . 1 1 4 4 GLN H H 4 8.976 8.976 8.414 0.562 25703 6222 1 12 . 1 1 5 5 PHE N N 5 127.295 127.295 124.118 3.177 25703 6223 1 12 . 1 1 5 5 PHE HA H 5 4.793 4.793 4.554 0.239 25703 6224 1 12 . 1 1 5 5 PHE C C 5 175.627 175.627 176.517 -0.890 25703 6225 1 12 . 1 1 5 5 PHE CA C 5 59.080 59.080 56.417 2.663 25703 6226 1 12 . 1 1 5 5 PHE CB C 5 41.083 41.083 42.070 -0.987 25703 6227 1 12 . 1 1 5 5 PHE H H 5 8.434 8.434 8.409 0.025 25703 6228 1 12 . 1 1 6 6 LYS N N 6 120.464 120.464 117.142 3.322 25703 6229 1 12 . 1 1 6 6 LYS HA H 6 4.623 4.623 4.455 0.168 25703 6230 1 12 . 1 1 6 6 LYS C C 6 176.504 176.504 175.907 0.597 25703 6231 1 12 . 1 1 6 6 LYS CA C 6 56.526 56.526 56.353 0.173 25703 6232 1 12 . 1 1 6 6 LYS CB C 6 34.660 34.660 33.846 0.814 25703 6233 1 12 . 1 1 6 6 LYS H H 6 9.821 9.821 8.587 1.234 25703 6234 1 12 . 1 1 7 7 THR N N 7 108.286 108.286 108.358 -0.072 25703 6235 1 12 . 1 1 7 7 THR HA H 7 4.738 4.738 4.702 0.036 25703 6236 1 12 . 1 1 7 7 THR C C 7 173.410 173.410 174.725 -1.315 25703 6237 1 12 . 1 1 7 7 THR CA C 7 59.287 59.287 59.063 0.224 25703 6238 1 12 . 1 1 7 7 THR CB C 7 73.138 73.138 72.387 0.751 25703 6239 1 12 . 1 1 7 7 THR H H 7 7.467 7.467 7.334 0.133 25703 6240 1 12 . 1 1 8 8 ALA N N 8 125.007 125.007 124.879 0.128 25703 6241 1 12 . 1 1 8 8 ALA HA H 8 3.705 3.705 4.092 -0.387 25703 6242 1 12 . 1 1 8 8 ALA C C 8 178.859 178.859 179.305 -0.446 25703 6243 1 12 . 1 1 8 8 ALA CA C 8 55.453 55.453 55.054 0.399 25703 6244 1 12 . 1 1 8 8 ALA CB C 8 18.689 18.689 18.419 0.270 25703 6245 1 12 . 1 1 8 8 ALA H H 8 9.038 9.038 8.986 0.052 25703 6246 1 12 . 1 1 9 9 SER N N 9 113.408 113.408 112.364 1.044 25703 6247 1 12 . 1 1 9 9 SER HA H 9 4.124 4.124 4.039 0.085 25703 6248 1 12 . 1 1 9 9 SER C C 9 176.575 176.575 176.572 0.003 25703 6249 1 12 . 1 1 9 9 SER CA C 9 61.528 61.528 61.828 -0.300 25703 6250 1 12 . 1 1 9 9 SER CB C 9 62.703 62.703 62.116 0.587 25703 6251 1 12 . 1 1 9 9 SER H H 9 8.159 8.159 8.514 -0.355 25703 6252 1 12 . 1 1 10 10 GLU N N 10 123.005 123.005 121.397 1.608 25703 6253 1 12 . 1 1 10 10 GLU HA H 10 3.853 3.853 3.763 0.090 25703 6254 1 12 . 1 1 10 10 GLU C C 10 178.294 178.294 178.115 0.179 25703 6255 1 12 . 1 1 10 10 GLU CA C 10 59.266 59.266 58.404 0.862 25703 6256 1 12 . 1 1 10 10 GLU CB C 10 31.536 31.536 28.791 2.744 25703 6257 1 12 . 1 1 10 10 GLU H H 10 7.552 7.552 7.307 0.245 25703 6258 1 12 . 1 1 11 11 PHE N N 11 121.633 121.633 120.095 1.538 25703 6259 1 12 . 1 1 11 11 PHE HA H 11 2.864 2.864 3.713 -0.849 25703 6260 1 12 . 1 1 11 11 PHE C C 11 176.786 176.786 176.857 -0.071 25703 6261 1 12 . 1 1 11 11 PHE CA C 11 61.182 61.182 60.817 0.365 25703 6262 1 12 . 1 1 11 11 PHE CB C 11 38.202 38.202 39.202 -1.000 25703 6263 1 12 . 1 1 11 11 PHE H H 11 6.632 6.632 7.545 -0.913 25703 6264 1 12 . 1 1 12 12 ASP N N 12 118.991 118.991 119.340 -0.349 25703 6265 1 12 . 1 1 12 12 ASP HA H 12 3.841 3.841 3.845 -0.004 25703 6266 1 12 . 1 1 12 12 ASP C C 12 178.286 178.286 178.419 -0.133 25703 6267 1 12 . 1 1 12 12 ASP CA C 12 57.547 57.547 57.691 -0.144 25703 6268 1 12 . 1 1 12 12 ASP CB C 12 40.790 40.790 40.623 0.168 25703 6269 1 12 . 1 1 12 12 ASP H H 12 7.687 7.687 8.671 -0.984 25703 6270 1 12 . 1 1 13 13 SER N N 13 112.966 112.966 115.480 -2.514 25703 6271 1 12 . 1 1 13 13 SER HA H 13 4.022 4.022 4.036 -0.014 25703 6272 1 12 . 1 1 13 13 SER C C 13 175.827 175.827 176.285 -0.458 25703 6273 1 12 . 1 1 13 13 SER CA C 13 61.410 61.410 61.072 0.338 25703 6274 1 12 . 1 1 13 13 SER CB C 13 63.499 63.499 63.158 0.341 25703 6275 1 12 . 1 1 13 13 SER H H 13 7.563 7.563 7.568 -0.005 25703 6276 1 12 . 1 1 14 14 ALA N N 14 124.823 124.823 123.873 0.950 25703 6277 1 12 . 1 1 14 14 ALA HA H 14 4.025 4.025 4.053 -0.027 25703 6278 1 12 . 1 1 14 14 ALA C C 14 179.909 179.909 179.795 0.114 25703 6279 1 12 . 1 1 14 14 ALA CA C 14 54.710 54.710 54.844 -0.134 25703 6280 1 12 . 1 1 14 14 ALA CB C 14 19.286 19.286 18.689 0.597 25703 6281 1 12 . 1 1 14 14 ALA H H 14 7.671 7.671 7.187 0.484 25703 6282 1 12 . 1 1 15 15 ILE N N 15 108.002 108.002 114.539 -6.537 25703 6283 1 12 . 1 1 15 15 ILE HA H 15 3.721 3.721 3.751 -0.030 25703 6284 1 12 . 1 1 15 15 ILE C C 15 175.512 175.512 176.892 -1.380 25703 6285 1 12 . 1 1 15 15 ILE CA C 15 64.058 64.058 63.932 0.126 25703 6286 1 12 . 1 1 15 15 ILE CB C 15 38.277 38.277 37.022 1.255 25703 6287 1 12 . 1 1 15 15 ILE H H 15 7.195 7.195 7.922 -0.727 25703 6288 1 12 . 1 1 16 16 ALA N N 16 123.051 123.051 120.968 2.083 25703 6289 1 12 . 1 1 16 16 ALA HA H 16 4.013 4.013 4.233 -0.220 25703 6290 1 12 . 1 1 16 16 ALA C C 16 176.636 176.636 178.118 -1.482 25703 6291 1 12 . 1 1 16 16 ALA CA C 16 52.318 52.318 52.809 -0.491 25703 6292 1 12 . 1 1 16 16 ALA CB C 16 18.956 18.956 18.625 0.331 25703 6293 1 12 . 1 1 16 16 ALA H H 16 6.623 6.623 7.477 -0.854 25703 6294 1 12 . 1 1 17 17 GLN N N 17 116.236 116.236 118.999 -2.763 25703 6295 1 12 . 1 1 17 17 GLN HA H 17 4.198 4.198 4.206 -0.008 25703 6296 1 12 . 1 1 17 17 GLN C C 17 174.965 174.965 175.512 -0.547 25703 6297 1 12 . 1 1 17 17 GLN CA C 17 56.422 56.422 55.651 0.771 25703 6298 1 12 . 1 1 17 17 GLN CB C 17 34.338 34.338 29.433 4.905 25703 6299 1 12 . 1 1 17 17 GLN H H 17 7.140 7.140 7.544 -0.404 25703 6300 1 12 . 1 1 18 18 ASP N N 18 123.905 123.905 121.493 2.412 25703 6301 1 12 . 1 1 18 18 ASP HA H 18 4.998 4.998 4.631 0.367 25703 6302 1 12 . 1 1 18 18 ASP C C 18 174.817 174.817 175.209 -0.392 25703 6303 1 12 . 1 1 18 18 ASP CB C 18 39.414 39.414 39.361 0.053 25703 6304 1 12 . 1 1 18 18 ASP H H 18 8.651 8.651 8.639 0.012 25703 6305 1 12 . 1 1 19 19 LYS N N 19 119.499 119.499 116.032 3.467 25703 6306 1 12 . 1 1 19 19 LYS HA H 19 4.384 4.384 4.545 -0.161 25703 6307 1 12 . 1 1 19 19 LYS C C 19 172.740 172.740 175.257 -2.517 25703 6308 1 12 . 1 1 19 19 LYS CA C 19 55.163 55.163 53.846 1.317 25703 6309 1 12 . 1 1 19 19 LYS CB C 19 34.721 34.721 35.459 -0.738 25703 6310 1 12 . 1 1 19 19 LYS H H 19 7.950 7.950 7.649 0.301 25703 6311 1 12 . 1 1 20 20 LEU N N 20 121.877 121.877 124.632 -2.755 25703 6312 1 12 . 1 1 20 20 LEU HA H 20 4.972 4.972 4.743 0.229 25703 6313 1 12 . 1 1 20 20 LEU C C 20 173.937 173.937 175.293 -1.356 25703 6314 1 12 . 1 1 20 20 LEU CA C 20 57.132 57.132 54.818 2.314 25703 6315 1 12 . 1 1 20 20 LEU CB C 20 42.012 42.012 40.866 1.146 25703 6316 1 12 . 1 1 20 20 LEU H H 20 8.641 8.641 8.913 -0.272 25703 6317 1 12 . 1 1 21 21 VAL N N 21 129.812 129.812 128.915 0.897 25703 6318 1 12 . 1 1 21 21 VAL HA H 21 4.439 4.439 4.617 -0.178 25703 6319 1 12 . 1 1 21 21 VAL C C 21 173.493 173.493 174.682 -1.189 25703 6320 1 12 . 1 1 21 21 VAL CA C 21 62.510 62.510 61.685 0.825 25703 6321 1 12 . 1 1 21 21 VAL CB C 21 34.732 34.732 33.160 1.572 25703 6322 1 12 . 1 1 21 21 VAL H H 21 9.263 9.263 8.919 0.344 25703 6323 1 12 . 1 1 22 22 VAL N N 22 131.684 131.684 128.871 2.813 25703 6324 1 12 . 1 1 22 22 VAL HA H 22 4.408 4.408 5.054 -0.646 25703 6325 1 12 . 1 1 22 22 VAL C C 22 174.331 174.331 173.922 0.409 25703 6326 1 12 . 1 1 22 22 VAL CA C 22 61.561 61.561 59.708 1.853 25703 6327 1 12 . 1 1 22 22 VAL CB C 22 33.630 33.630 32.905 0.725 25703 6328 1 12 . 1 1 22 22 VAL H H 22 9.006 9.006 8.842 0.164 25703 6329 1 12 . 1 1 23 23 VAL N N 23 126.475 126.475 131.006 -4.531 25703 6330 1 12 . 1 1 23 23 VAL HA H 23 4.422 4.422 5.117 -0.695 25703 6331 1 12 . 1 1 23 23 VAL C C 23 174.342 174.342 174.096 0.246 25703 6332 1 12 . 1 1 23 23 VAL CA C 23 61.672 61.672 60.592 1.081 25703 6333 1 12 . 1 1 23 23 VAL CB C 23 34.042 34.042 34.609 -0.567 25703 6334 1 12 . 1 1 23 23 VAL H H 23 9.551 9.551 8.920 0.631 25703 6335 1 12 . 1 1 24 24 ALA N N 24 131.649 131.649 128.749 2.900 25703 6336 1 12 . 1 1 24 24 ALA HA H 24 4.953 4.953 5.470 -0.517 25703 6337 1 12 . 1 1 24 24 ALA C C 24 174.683 174.683 176.927 -2.244 25703 6338 1 12 . 1 1 24 24 ALA CA C 24 51.712 51.712 49.318 2.394 25703 6339 1 12 . 1 1 24 24 ALA CB C 24 20.149 20.149 20.989 -0.840 25703 6340 1 12 . 1 1 24 24 ALA H H 24 8.991 8.991 8.745 0.246 25703 6341 1 12 . 1 1 25 25 PHE N N 25 124.535 124.535 125.859 -1.324 25703 6342 1 12 . 1 1 25 25 PHE HA H 25 5.002 5.002 4.626 0.376 25703 6343 1 12 . 1 1 25 25 PHE C C 25 174.231 174.231 174.250 -0.019 25703 6344 1 12 . 1 1 25 25 PHE CA C 25 58.196 58.196 59.398 -1.202 25703 6345 1 12 . 1 1 25 25 PHE CB C 25 40.231 40.231 38.389 1.842 25703 6346 1 12 . 1 1 25 25 PHE H H 25 9.231 9.231 8.293 0.938 25703 6347 1 12 . 1 1 26 26 TYR N N 26 121.986 121.986 125.160 -3.174 25703 6348 1 12 . 1 1 26 26 TYR HA H 26 5.112 5.112 4.693 0.419 25703 6349 1 12 . 1 1 26 26 TYR C C 26 170.727 170.727 173.617 -2.890 25703 6350 1 12 . 1 1 26 26 TYR CA C 26 55.240 55.240 57.120 -1.880 25703 6351 1 12 . 1 1 26 26 TYR CB C 26 43.023 43.023 43.555 -0.532 25703 6352 1 12 . 1 1 26 26 TYR H H 26 8.869 8.869 8.943 -0.074 25703 6353 1 12 . 1 1 27 27 ALA N N 27 117.474 117.474 120.371 -2.897 25703 6354 1 12 . 1 1 27 27 ALA HA H 27 4.329 4.329 4.626 -0.297 25703 6355 1 12 . 1 1 27 27 ALA C C 27 178.755 178.755 176.106 2.649 25703 6356 1 12 . 1 1 27 27 ALA CA C 27 50.966 50.966 51.650 -0.684 25703 6357 1 12 . 1 1 27 27 ALA CB C 27 22.735 22.735 20.749 1.986 25703 6358 1 12 . 1 1 27 27 ALA H H 27 6.235 6.235 8.206 -1.971 25703 6359 1 12 . 1 1 28 28 THR N N 28 119.624 119.624 112.672 6.952 25703 6360 1 12 . 1 1 28 28 THR HA H 28 3.907 3.907 4.337 -0.430 25703 6361 1 12 . 1 1 28 28 THR C C 28 174.360 174.360 175.097 -0.737 25703 6362 1 12 . 1 1 28 28 THR CA C 28 65.865 65.865 62.978 2.887 25703 6363 1 12 . 1 1 28 28 THR CB C 28 69.336 69.336 69.185 0.151 25703 6364 1 12 . 1 1 28 28 THR H H 28 10.381 10.381 8.387 1.994 25703 6365 1 12 . 1 1 29 29 TRP N N 29 115.983 115.983 122.365 -6.382 25703 6366 1 12 . 1 1 29 29 TRP HA H 29 4.590 4.590 5.028 -0.438 25703 6367 1 12 . 1 1 29 29 TRP CA C 29 53.924 53.924 56.016 -2.092 25703 6368 1 12 . 1 1 29 29 TRP CB C 29 29.460 29.460 27.976 1.484 25703 6369 1 12 . 1 1 29 29 TRP H H 29 6.472 6.472 7.111 -0.639 25703 6370 1 12 . 1 1 30 30 CYS HA H 30 3.857 3.857 4.906 -1.049 25703 6371 1 12 . 1 1 30 30 CYS CA C 30 58.536 58.536 57.550 0.986 25703 6372 1 12 . 1 1 30 30 CYS CB C 30 37.005 37.005 30.195 6.810 25703 6373 1 12 . 1 1 31 31 GLY CA C 31 48.989 48.989 46.582 2.407 25703 6374 1 12 . 1 1 32 32 PRO HA H 32 4.398 4.398 4.258 0.140 25703 6375 1 12 . 1 1 32 32 PRO C C 32 177.189 177.189 178.312 -1.123 25703 6376 1 12 . 1 1 32 32 PRO CA C 32 65.366 65.366 64.846 0.520 25703 6377 1 12 . 1 1 32 32 PRO CB C 32 32.289 32.289 31.158 1.131 25703 6378 1 12 . 1 1 33 33 CYS N N 33 111.468 111.468 110.821 0.647 25703 6379 1 12 . 1 1 33 33 CYS HA H 33 4.223 4.223 4.110 0.113 25703 6380 1 12 . 1 1 33 33 CYS CA C 33 65.801 65.801 59.700 6.101 25703 6381 1 12 . 1 1 33 33 CYS CB C 33 34.949 34.949 25.650 9.299 25703 6382 1 12 . 1 1 33 33 CYS H H 33 7.991 7.991 8.184 -0.193 25703 6383 1 12 . 1 1 34 34 LYS HA H 34 3.968 3.968 4.164 -0.196 25703 6384 1 12 . 1 1 34 34 LYS C C 34 178.052 178.052 177.920 0.132 25703 6385 1 12 . 1 1 34 34 LYS CA C 34 59.661 59.661 58.573 1.088 25703 6386 1 12 . 1 1 34 34 LYS CB C 34 32.513 32.513 32.196 0.317 25703 6387 1 12 . 1 1 35 35 MET N N 35 117.236 117.236 116.236 1.000 25703 6388 1 12 . 1 1 35 35 MET HA H 35 4.194 4.194 4.428 -0.234 25703 6389 1 12 . 1 1 35 35 MET C C 35 177.451 177.451 178.093 -0.642 25703 6390 1 12 . 1 1 35 35 MET CA C 35 57.938 57.938 58.448 -0.510 25703 6391 1 12 . 1 1 35 35 MET CB C 35 32.628 32.628 33.361 -0.733 25703 6392 1 12 . 1 1 35 35 MET H H 35 7.326 7.326 7.638 -0.312 25703 6393 1 12 . 1 1 36 36 ILE N N 36 113.758 113.758 120.617 -6.859 25703 6394 1 12 . 1 1 36 36 ILE HA H 36 4.345 4.345 3.903 0.442 25703 6395 1 12 . 1 1 36 36 ILE C C 36 176.183 176.183 176.724 -0.541 25703 6396 1 12 . 1 1 36 36 ILE CA C 36 60.656 60.656 62.667 -2.011 25703 6397 1 12 . 1 1 36 36 ILE CB C 36 39.657 39.657 37.843 1.813 25703 6398 1 12 . 1 1 36 36 ILE H H 36 7.315 7.315 7.842 -0.527 25703 6399 1 12 . 1 1 37 37 ALA N N 37 126.738 126.738 124.344 2.394 25703 6400 1 12 . 1 1 37 37 ALA HA H 37 4.095 4.095 4.074 0.021 25703 6401 1 12 . 1 1 37 37 ALA CA C 37 57.562 57.562 57.159 0.403 25703 6402 1 12 . 1 1 37 37 ALA CB C 37 15.912 15.912 16.181 -0.269 25703 6403 1 12 . 1 1 37 37 ALA H H 37 7.447 7.447 8.076 -0.629 25703 6404 1 12 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.155 0.115 25703 6405 1 12 . 1 1 38 38 PRO C C 38 178.922 178.922 178.693 0.229 25703 6406 1 12 . 1 1 38 38 PRO CA C 38 65.743 65.743 65.778 -0.035 25703 6407 1 12 . 1 1 38 38 PRO CB C 38 31.224 31.224 31.315 -0.091 25703 6408 1 12 . 1 1 39 39 MET N N 39 118.310 118.310 117.028 1.282 25703 6409 1 12 . 1 1 39 39 MET HA H 39 3.859 3.859 3.895 -0.036 25703 6410 1 12 . 1 1 39 39 MET C C 39 174.441 174.441 178.411 -3.970 25703 6411 1 12 . 1 1 39 39 MET CA C 39 58.390 58.390 57.620 0.770 25703 6412 1 12 . 1 1 39 39 MET CB C 39 31.394 31.394 31.403 -0.009 25703 6413 1 12 . 1 1 39 39 MET H H 39 7.063 7.063 7.245 -0.182 25703 6414 1 12 . 1 1 40 40 ILE N N 40 119.013 119.013 119.680 -0.667 25703 6415 1 12 . 1 1 40 40 ILE HA H 40 3.595 3.595 3.659 -0.064 25703 6416 1 12 . 1 1 40 40 ILE C C 40 177.267 177.267 177.624 -0.357 25703 6417 1 12 . 1 1 40 40 ILE CA C 40 64.393 64.393 65.340 -0.947 25703 6418 1 12 . 1 1 40 40 ILE CB C 40 36.259 36.259 37.854 -1.595 25703 6419 1 12 . 1 1 40 40 ILE H H 40 7.752 7.752 8.859 -1.107 25703 6420 1 12 . 1 1 41 41 GLU N N 41 119.530 119.530 120.336 -0.806 25703 6421 1 12 . 1 1 41 41 GLU HA H 41 3.572 3.572 3.867 -0.295 25703 6422 1 12 . 1 1 41 41 GLU C C 41 179.597 179.597 179.178 0.419 25703 6423 1 12 . 1 1 41 41 GLU CA C 41 59.878 59.878 59.225 0.653 25703 6424 1 12 . 1 1 41 41 GLU CB C 41 29.900 29.900 29.177 0.723 25703 6425 1 12 . 1 1 41 41 GLU H H 41 7.442 7.442 7.860 -0.418 25703 6426 1 12 . 1 1 42 42 LYS N N 42 122.053 122.053 120.595 1.458 25703 6427 1 12 . 1 1 42 42 LYS HA H 42 3.932 3.932 4.265 -0.333 25703 6428 1 12 . 1 1 42 42 LYS C C 42 179.390 179.390 179.328 0.062 25703 6429 1 12 . 1 1 42 42 LYS CA C 42 59.532 59.532 59.076 0.456 25703 6430 1 12 . 1 1 42 42 LYS CB C 42 31.281 31.281 32.227 -0.946 25703 6431 1 12 . 1 1 42 42 LYS H H 42 7.428 7.428 7.685 -0.257 25703 6432 1 12 . 1 1 43 43 PHE N N 43 120.250 120.250 117.132 3.118 25703 6433 1 12 . 1 1 43 43 PHE HA H 43 4.639 4.639 4.301 0.338 25703 6434 1 12 . 1 1 43 43 PHE C C 43 177.337 177.337 175.939 1.398 25703 6435 1 12 . 1 1 43 43 PHE CA C 43 59.331 59.331 58.662 0.669 25703 6436 1 12 . 1 1 43 43 PHE CB C 43 37.737 37.737 38.197 -0.460 25703 6437 1 12 . 1 1 43 43 PHE H H 43 8.337 8.337 8.297 0.040 25703 6438 1 12 . 1 1 44 44 SER N N 44 117.203 117.203 112.749 4.454 25703 6439 1 12 . 1 1 44 44 SER HA H 44 2.967 2.967 2.580 0.387 25703 6440 1 12 . 1 1 44 44 SER C C 44 174.934 174.934 174.488 0.446 25703 6441 1 12 . 1 1 44 44 SER CA C 44 61.159 61.159 58.610 2.549 25703 6442 1 12 . 1 1 44 44 SER CB C 44 62.353 62.353 62.792 -0.439 25703 6443 1 12 . 1 1 44 44 SER H H 44 7.754 7.754 7.757 -0.003 25703 6444 1 12 . 1 1 45 45 GLU N N 45 121.664 121.664 119.848 1.816 25703 6445 1 12 . 1 1 45 45 GLU HA H 45 4.049 4.049 4.215 -0.166 25703 6446 1 12 . 1 1 45 45 GLU C C 45 177.360 177.360 176.902 0.458 25703 6447 1 12 . 1 1 45 45 GLU CA C 45 57.739 57.739 57.524 0.215 25703 6448 1 12 . 1 1 45 45 GLU CB C 45 30.191 30.191 30.347 -0.156 25703 6449 1 12 . 1 1 45 45 GLU H H 45 6.884 6.884 7.638 -0.754 25703 6450 1 12 . 1 1 46 46 GLN N N 46 118.766 118.766 117.270 1.496 25703 6451 1 12 . 1 1 46 46 GLN HA H 46 3.948 3.948 4.440 -0.492 25703 6452 1 12 . 1 1 46 46 GLN C C 46 177.431 177.431 175.076 2.355 25703 6453 1 12 . 1 1 46 46 GLN CA C 46 58.372 58.372 54.953 3.418 25703 6454 1 12 . 1 1 46 46 GLN CB C 46 30.160 30.160 29.322 0.838 25703 6455 1 12 . 1 1 46 46 GLN H H 46 7.551 7.551 7.207 0.344 25703 6456 1 12 . 1 1 47 47 TYR N N 47 117.012 117.012 117.734 -0.722 25703 6457 1 12 . 1 1 47 47 TYR HA H 47 4.971 4.971 4.906 0.065 25703 6458 1 12 . 1 1 47 47 TYR CA C 47 56.523 56.523 52.459 4.064 25703 6459 1 12 . 1 1 47 47 TYR CB C 47 38.479 38.479 36.596 1.883 25703 6460 1 12 . 1 1 47 47 TYR H H 47 7.426 7.426 7.876 -0.450 25703 6461 1 12 . 1 1 48 48 PRO HA H 48 4.388 4.388 4.257 0.131 25703 6462 1 12 . 1 1 48 48 PRO C C 48 176.927 176.927 177.065 -0.138 25703 6463 1 12 . 1 1 48 48 PRO CA C 48 65.425 65.425 64.398 1.027 25703 6464 1 12 . 1 1 48 48 PRO CB C 48 32.619 32.619 32.129 0.490 25703 6465 1 12 . 1 1 49 49 GLN N N 49 120.194 120.194 115.198 4.996 25703 6466 1 12 . 1 1 49 49 GLN HA H 49 4.369 4.369 4.241 0.128 25703 6467 1 12 . 1 1 49 49 GLN C C 49 174.438 174.438 174.791 -0.353 25703 6468 1 12 . 1 1 49 49 GLN CA C 49 56.832 56.832 55.705 1.127 25703 6469 1 12 . 1 1 49 49 GLN CB C 49 28.164 28.164 28.807 -0.643 25703 6470 1 12 . 1 1 49 49 GLN H H 49 9.624 9.624 8.578 1.046 25703 6471 1 12 . 1 1 50 50 ALA N N 50 128.180 128.180 122.481 5.699 25703 6472 1 12 . 1 1 50 50 ALA HA H 50 5.048 5.048 4.638 0.410 25703 6473 1 12 . 1 1 50 50 ALA C C 50 174.685 174.685 176.105 -1.420 25703 6474 1 12 . 1 1 50 50 ALA CA C 50 50.518 50.518 50.574 -0.056 25703 6475 1 12 . 1 1 50 50 ALA CB C 50 22.754 22.754 21.206 1.548 25703 6476 1 12 . 1 1 50 50 ALA H H 50 8.179 8.179 7.366 0.813 25703 6477 1 12 . 1 1 51 51 ASP N N 51 121.032 121.032 120.095 0.937 25703 6478 1 12 . 1 1 51 51 ASP HA H 51 5.102 5.102 4.696 0.406 25703 6479 1 12 . 1 1 51 51 ASP C C 51 174.171 174.171 174.465 -0.294 25703 6480 1 12 . 1 1 51 51 ASP CA C 51 53.515 53.515 53.532 -0.017 25703 6481 1 12 . 1 1 51 51 ASP CB C 51 44.782 44.782 43.890 0.892 25703 6482 1 12 . 1 1 51 51 ASP H H 51 8.435 8.435 8.681 -0.246 25703 6483 1 12 . 1 1 52 52 PHE N N 52 121.696 121.696 122.491 -0.795 25703 6484 1 12 . 1 1 52 52 PHE HA H 52 5.172 5.172 4.930 0.242 25703 6485 1 12 . 1 1 52 52 PHE C C 52 174.110 174.110 174.469 -0.359 25703 6486 1 12 . 1 1 52 52 PHE CA C 52 57.189 57.189 55.543 1.646 25703 6487 1 12 . 1 1 52 52 PHE CB C 52 42.291 42.291 39.895 2.396 25703 6488 1 12 . 1 1 52 52 PHE H H 52 8.983 8.983 9.112 -0.129 25703 6489 1 12 . 1 1 53 53 TYR N N 53 122.042 122.042 122.770 -0.728 25703 6490 1 12 . 1 1 53 53 TYR HA H 53 5.495 5.495 5.228 0.267 25703 6491 1 12 . 1 1 53 53 TYR C C 53 174.002 174.002 174.399 -0.397 25703 6492 1 12 . 1 1 53 53 TYR CA C 53 56.214 56.214 55.649 0.565 25703 6493 1 12 . 1 1 53 53 TYR CB C 53 46.407 46.407 41.514 4.893 25703 6494 1 12 . 1 1 53 53 TYR H H 53 9.362 9.362 9.221 0.141 25703 6495 1 12 . 1 1 54 54 LYS N N 54 116.808 116.808 123.367 -6.559 25703 6496 1 12 . 1 1 54 54 LYS HA H 54 5.505 5.505 4.838 0.667 25703 6497 1 12 . 1 1 54 54 LYS C C 54 172.792 172.792 174.945 -2.153 25703 6498 1 12 . 1 1 54 54 LYS CA C 54 53.943 53.943 55.079 -1.136 25703 6499 1 12 . 1 1 54 54 LYS CB C 54 36.950 36.950 35.184 1.766 25703 6500 1 12 . 1 1 54 54 LYS H H 54 8.463 8.463 9.026 -0.563 25703 6501 1 12 . 1 1 55 55 LEU N N 55 123.826 123.826 125.951 -2.125 25703 6502 1 12 . 1 1 55 55 LEU HA H 55 4.472 4.472 4.576 -0.104 25703 6503 1 12 . 1 1 55 55 LEU C C 55 171.652 171.652 175.870 -4.218 25703 6504 1 12 . 1 1 55 55 LEU CA C 55 55.906 55.906 53.797 2.109 25703 6505 1 12 . 1 1 55 55 LEU CB C 55 46.528 46.528 43.905 2.623 25703 6506 1 12 . 1 1 55 55 LEU H H 55 8.688 8.688 9.123 -0.435 25703 6507 1 12 . 1 1 56 56 ASP N N 56 127.169 127.169 121.712 5.457 25703 6508 1 12 . 1 1 56 56 ASP HA H 56 4.130 4.130 4.953 -0.823 25703 6509 1 12 . 1 1 56 56 ASP C C 56 177.692 177.692 177.327 0.365 25703 6510 1 12 . 1 1 56 56 ASP CA C 56 54.074 54.074 54.880 -0.806 25703 6511 1 12 . 1 1 56 56 ASP CB C 56 41.388 41.388 40.704 0.684 25703 6512 1 12 . 1 1 56 56 ASP H H 56 8.595 8.595 8.815 -0.220 25703 6513 1 12 . 1 1 57 57 VAL N N 57 123.562 123.562 125.603 -2.041 25703 6514 1 12 . 1 1 57 57 VAL HA H 57 3.491 3.491 3.956 -0.465 25703 6515 1 12 . 1 1 57 57 VAL C C 57 175.413 175.413 176.124 -0.711 25703 6516 1 12 . 1 1 57 57 VAL CA C 57 65.095 65.095 65.403 -0.308 25703 6517 1 12 . 1 1 57 57 VAL CB C 57 31.658 31.658 32.126 -0.468 25703 6518 1 12 . 1 1 57 57 VAL H H 57 8.712 8.712 8.886 -0.174 25703 6519 1 12 . 1 1 58 58 ASP N N 58 120.070 120.070 118.025 2.045 25703 6520 1 12 . 1 1 58 58 ASP HA H 58 4.827 4.827 4.552 0.275 25703 6521 1 12 . 1 1 58 58 ASP C C 58 177.131 177.131 177.916 -0.785 25703 6522 1 12 . 1 1 58 58 ASP CA C 58 57.693 57.693 56.969 0.724 25703 6523 1 12 . 1 1 58 58 ASP CB C 58 40.827 40.827 41.246 -0.419 25703 6524 1 12 . 1 1 58 58 ASP H H 58 8.670 8.670 8.574 0.096 25703 6525 1 12 . 1 1 59 59 GLU N N 59 120.889 120.889 118.051 2.838 25703 6526 1 12 . 1 1 59 59 GLU HA H 59 4.358 4.358 4.381 -0.023 25703 6527 1 12 . 1 1 59 59 GLU C C 59 176.606 176.606 178.255 -1.649 25703 6528 1 12 . 1 1 59 59 GLU CA C 59 57.881 57.881 57.373 0.508 25703 6529 1 12 . 1 1 59 59 GLU CB C 59 32.138 32.138 30.862 1.276 25703 6530 1 12 . 1 1 59 59 GLU H H 59 7.616 7.616 7.977 -0.361 25703 6531 1 12 . 1 1 60 60 LEU N N 60 122.457 122.457 122.050 0.407 25703 6532 1 12 . 1 1 60 60 LEU HA H 60 4.916 4.916 4.711 0.205 25703 6533 1 12 . 1 1 60 60 LEU C C 60 176.538 176.538 177.308 -0.770 25703 6534 1 12 . 1 1 60 60 LEU CA C 60 52.864 52.864 53.178 -0.314 25703 6535 1 12 . 1 1 60 60 LEU CB C 60 42.270 42.270 38.966 3.304 25703 6536 1 12 . 1 1 60 60 LEU H H 60 7.690 7.690 8.621 -0.931 25703 6537 1 12 . 1 1 61 61 GLY N N 61 112.065 112.065 109.562 2.503 25703 6538 1 12 . 1 1 61 61 GLY C C 61 175.917 175.917 175.389 0.528 25703 6539 1 12 . 1 1 61 61 GLY CA C 61 48.760 48.760 46.959 1.801 25703 6540 1 12 . 1 1 61 61 GLY H H 61 8.267 8.267 7.930 0.337 25703 6541 1 12 . 1 1 62 62 ASP N N 62 120.904 120.904 120.487 0.417 25703 6542 1 12 . 1 1 62 62 ASP HA H 62 4.302 4.302 4.342 -0.040 25703 6543 1 12 . 1 1 62 62 ASP C C 62 178.355 178.355 178.078 0.277 25703 6544 1 12 . 1 1 62 62 ASP CA C 62 57.045 57.045 56.958 0.087 25703 6545 1 12 . 1 1 62 62 ASP CB C 62 39.646 39.646 39.893 -0.247 25703 6546 1 12 . 1 1 62 62 ASP H H 62 9.155 9.155 8.179 0.976 25703 6547 1 12 . 1 1 63 63 VAL N N 63 121.465 121.465 120.214 1.251 25703 6548 1 12 . 1 1 63 63 VAL HA H 63 3.310 3.310 3.809 -0.499 25703 6549 1 12 . 1 1 63 63 VAL C C 63 178.724 178.724 176.654 2.070 25703 6550 1 12 . 1 1 63 63 VAL CA C 63 65.878 65.878 64.411 1.467 25703 6551 1 12 . 1 1 63 63 VAL CB C 63 31.718 31.718 31.753 -0.035 25703 6552 1 12 . 1 1 63 63 VAL H H 63 7.263 7.263 7.595 -0.332 25703 6553 1 12 . 1 1 64 64 ALA N N 64 123.341 123.341 121.758 1.583 25703 6554 1 12 . 1 1 64 64 ALA HA H 64 3.774 3.774 2.812 0.962 25703 6555 1 12 . 1 1 64 64 ALA C C 64 177.984 177.984 179.352 -1.368 25703 6556 1 12 . 1 1 64 64 ALA CA C 64 56.326 56.326 54.748 1.578 25703 6557 1 12 . 1 1 64 64 ALA CB C 64 18.296 18.296 17.795 0.501 25703 6558 1 12 . 1 1 64 64 ALA H H 64 7.248 7.248 7.542 -0.294 25703 6559 1 12 . 1 1 65 65 GLN N N 65 118.749 118.749 116.189 2.560 25703 6560 1 12 . 1 1 65 65 GLN HA H 65 4.013 4.013 4.047 -0.034 25703 6561 1 12 . 1 1 65 65 GLN CA C 65 59.524 59.524 57.972 1.552 25703 6562 1 12 . 1 1 65 65 GLN CB C 65 28.802 28.802 28.134 0.668 25703 6563 1 12 . 1 1 65 65 GLN H H 65 8.276 8.276 7.859 0.417 25703 6564 1 12 . 1 1 66 66 LYS N N 66 120.950 120.950 120.761 0.189 25703 6565 1 12 . 1 1 66 66 LYS HA H 66 4.033 4.033 4.063 -0.030 25703 6566 1 12 . 1 1 66 66 LYS C C 66 176.439 176.439 177.986 -1.547 25703 6567 1 12 . 1 1 66 66 LYS CA C 66 59.276 59.276 58.857 0.419 25703 6568 1 12 . 1 1 66 66 LYS CB C 66 32.706 32.706 32.254 0.452 25703 6569 1 12 . 1 1 66 66 LYS H H 66 7.984 7.984 7.622 0.362 25703 6570 1 12 . 1 1 67 67 ASN N N 67 115.512 115.512 115.275 0.237 25703 6571 1 12 . 1 1 67 67 ASN HA H 67 4.698 4.698 5.002 -0.304 25703 6572 1 12 . 1 1 67 67 ASN C C 67 171.075 171.075 173.746 -2.671 25703 6573 1 12 . 1 1 67 67 ASN CA C 67 54.555 54.555 53.261 1.294 25703 6574 1 12 . 1 1 67 67 ASN CB C 67 40.572 40.572 38.886 1.686 25703 6575 1 12 . 1 1 67 67 ASN H H 67 7.052 7.052 7.489 -0.437 25703 6576 1 12 . 1 1 68 68 GLU N N 68 115.540 115.540 114.748 0.792 25703 6577 1 12 . 1 1 68 68 GLU HA H 68 3.724 3.724 3.848 -0.123 25703 6578 1 12 . 1 1 68 68 GLU C C 68 175.135 175.135 175.141 -0.006 25703 6579 1 12 . 1 1 68 68 GLU CA C 68 57.472 57.472 56.895 0.577 25703 6580 1 12 . 1 1 68 68 GLU CB C 68 27.320 27.320 27.119 0.201 25703 6581 1 12 . 1 1 68 68 GLU H H 68 7.708 7.708 7.477 0.231 25703 6582 1 12 . 1 1 69 69 VAL N N 69 121.037 121.037 119.616 1.421 25703 6583 1 12 . 1 1 69 69 VAL HA H 69 3.891 3.891 3.885 0.006 25703 6584 1 12 . 1 1 69 69 VAL C C 69 174.845 174.845 176.124 -1.279 25703 6585 1 12 . 1 1 69 69 VAL CA C 69 63.315 63.315 63.539 -0.224 25703 6586 1 12 . 1 1 69 69 VAL CB C 69 31.259 31.259 31.467 -0.208 25703 6587 1 12 . 1 1 69 69 VAL H H 69 7.786 7.786 8.145 -0.359 25703 6588 1 12 . 1 1 70 70 SER N N 70 123.071 123.071 122.327 0.744 25703 6589 1 12 . 1 1 70 70 SER HA H 70 4.453 4.453 4.604 -0.151 25703 6590 1 12 . 1 1 70 70 SER C C 70 172.450 172.450 174.010 -1.560 25703 6591 1 12 . 1 1 70 70 SER CA C 70 58.194 58.194 58.031 0.163 25703 6592 1 12 . 1 1 70 70 SER CB C 70 65.148 65.148 64.232 0.916 25703 6593 1 12 . 1 1 70 70 SER H H 70 8.556 8.556 8.495 0.061 25703 6594 1 12 . 1 1 71 71 ALA N N 71 127.000 127.000 125.565 1.435 25703 6595 1 12 . 1 1 71 71 ALA HA H 71 4.554 4.554 4.672 -0.118 25703 6596 1 12 . 1 1 71 71 ALA C C 71 175.018 175.018 174.979 0.039 25703 6597 1 12 . 1 1 71 71 ALA CA C 71 51.898 51.898 52.137 -0.239 25703 6598 1 12 . 1 1 71 71 ALA CB C 71 21.560 21.560 21.654 -0.094 25703 6599 1 12 . 1 1 71 71 ALA H H 71 7.884 7.884 7.555 0.329 25703 6600 1 12 . 1 1 72 72 MET N N 72 120.240 120.240 120.460 -0.220 25703 6601 1 12 . 1 1 72 72 MET HA H 72 4.827 4.827 5.114 -0.287 25703 6602 1 12 . 1 1 72 72 MET CA C 72 57.888 57.888 50.944 6.944 25703 6603 1 12 . 1 1 72 72 MET CB C 72 36.102 36.102 32.926 3.176 25703 6604 1 12 . 1 1 72 72 MET H H 72 8.664 8.664 8.341 0.323 25703 6605 1 12 . 1 1 73 73 PRO HA H 73 4.988 4.988 5.039 -0.051 25703 6606 1 12 . 1 1 73 73 PRO C C 73 175.162 175.162 176.433 -1.271 25703 6607 1 12 . 1 1 73 73 PRO CA C 73 64.042 64.042 61.994 2.048 25703 6608 1 12 . 1 1 73 73 PRO CB C 73 35.151 35.151 33.781 1.370 25703 6609 1 12 . 1 1 74 74 THR N N 74 114.942 114.942 115.825 -0.883 25703 6610 1 12 . 1 1 74 74 THR HA H 74 4.995 4.995 4.654 0.341 25703 6611 1 12 . 1 1 74 74 THR C C 74 170.891 170.891 173.161 -2.270 25703 6612 1 12 . 1 1 74 74 THR CA C 74 63.926 63.926 62.321 1.605 25703 6613 1 12 . 1 1 74 74 THR CB C 74 73.856 73.856 71.092 2.764 25703 6614 1 12 . 1 1 74 74 THR H H 74 7.490 7.490 8.161 -0.671 25703 6615 1 12 . 1 1 75 75 LEU N N 75 132.149 132.149 128.878 3.271 25703 6616 1 12 . 1 1 75 75 LEU HA H 75 5.493 5.493 4.930 0.563 25703 6617 1 12 . 1 1 75 75 LEU C C 75 174.331 174.331 174.891 -0.560 25703 6618 1 12 . 1 1 75 75 LEU CA C 75 53.852 53.852 53.913 -0.061 25703 6619 1 12 . 1 1 75 75 LEU CB C 75 45.160 45.160 42.473 2.687 25703 6620 1 12 . 1 1 75 75 LEU H H 75 9.427 9.427 8.544 0.883 25703 6621 1 12 . 1 1 76 76 LEU N N 76 124.814 124.814 125.120 -0.306 25703 6622 1 12 . 1 1 76 76 LEU HA H 76 4.932 4.932 4.795 0.137 25703 6623 1 12 . 1 1 76 76 LEU C C 76 173.732 173.732 175.465 -1.733 25703 6624 1 12 . 1 1 76 76 LEU CA C 76 54.032 54.032 53.866 0.166 25703 6625 1 12 . 1 1 76 76 LEU CB C 76 46.726 46.726 44.255 2.471 25703 6626 1 12 . 1 1 76 76 LEU H H 76 9.240 9.240 8.949 0.291 25703 6627 1 12 . 1 1 77 77 LEU N N 77 123.770 123.770 120.448 3.322 25703 6628 1 12 . 1 1 77 77 LEU HA H 77 5.251 5.251 5.353 -0.102 25703 6629 1 12 . 1 1 77 77 LEU C C 77 174.442 174.442 176.168 -1.726 25703 6630 1 12 . 1 1 77 77 LEU CA C 77 55.087 55.087 53.558 1.529 25703 6631 1 12 . 1 1 77 77 LEU CB C 77 43.250 43.250 42.448 0.802 25703 6632 1 12 . 1 1 77 77 LEU H H 77 8.175 8.175 8.099 0.076 25703 6633 1 12 . 1 1 78 78 PHE N N 78 122.975 122.975 123.347 -0.372 25703 6634 1 12 . 1 1 78 78 PHE HA H 78 5.397 5.397 4.903 0.494 25703 6635 1 12 . 1 1 78 78 PHE C C 78 173.920 173.920 174.940 -1.020 25703 6636 1 12 . 1 1 78 78 PHE CA C 78 56.867 56.867 57.221 -0.354 25703 6637 1 12 . 1 1 78 78 PHE CB C 78 44.858 44.858 43.273 1.585 25703 6638 1 12 . 1 1 78 78 PHE H H 78 9.742 9.742 9.406 0.336 25703 6639 1 12 . 1 1 79 79 LYS N N 79 118.164 118.164 121.523 -3.359 25703 6640 1 12 . 1 1 79 79 LYS HA H 79 4.817 4.817 4.972 -0.155 25703 6641 1 12 . 1 1 79 79 LYS C C 79 177.194 177.194 176.300 0.894 25703 6642 1 12 . 1 1 79 79 LYS CA C 79 57.980 57.980 55.485 2.495 25703 6643 1 12 . 1 1 79 79 LYS CB C 79 37.031 37.031 34.304 2.727 25703 6644 1 12 . 1 1 79 79 LYS H H 79 8.745 8.745 8.602 0.143 25703 6645 1 12 . 1 1 80 80 ASN N N 80 126.660 126.660 125.714 0.946 25703 6646 1 12 . 1 1 80 80 ASN HA H 80 4.291 4.291 4.346 -0.055 25703 6647 1 12 . 1 1 80 80 ASN C C 80 174.868 174.868 176.066 -1.198 25703 6648 1 12 . 1 1 80 80 ASN CA C 80 54.925 54.925 53.924 1.001 25703 6649 1 12 . 1 1 80 80 ASN CB C 80 38.055 38.055 36.555 1.500 25703 6650 1 12 . 1 1 80 80 ASN H H 80 8.893 8.893 9.493 -0.600 25703 6651 1 12 . 1 1 81 81 GLY N N 81 103.991 103.991 104.453 -0.462 25703 6652 1 12 . 1 1 81 81 GLY C C 81 172.724 172.724 174.711 -1.987 25703 6653 1 12 . 1 1 81 81 GLY CA C 81 46.145 46.145 45.523 0.622 25703 6654 1 12 . 1 1 81 81 GLY H H 81 8.639 8.639 8.753 -0.114 25703 6655 1 12 . 1 1 82 82 LYS N N 82 120.266 120.266 120.514 -0.248 25703 6656 1 12 . 1 1 82 82 LYS HA H 82 4.937 4.937 4.421 0.516 25703 6657 1 12 . 1 1 82 82 LYS C C 82 174.364 174.364 175.696 -1.332 25703 6658 1 12 . 1 1 82 82 LYS CA C 82 55.602 55.602 55.593 0.009 25703 6659 1 12 . 1 1 82 82 LYS CB C 82 35.830 35.830 33.242 2.588 25703 6660 1 12 . 1 1 82 82 LYS H H 82 7.576 7.576 8.157 -0.581 25703 6661 1 12 . 1 1 83 83 GLU N N 83 126.445 126.445 115.107 11.338 25703 6662 1 12 . 1 1 83 83 GLU HA H 83 3.867 3.867 3.684 0.183 25703 6663 1 12 . 1 1 83 83 GLU C C 83 176.728 176.728 174.896 1.832 25703 6664 1 12 . 1 1 83 83 GLU CA C 83 57.345 57.345 57.554 -0.209 25703 6665 1 12 . 1 1 83 83 GLU CB C 83 30.927 30.927 28.837 2.090 25703 6666 1 12 . 1 1 83 83 GLU H H 83 8.819 8.819 7.671 1.148 25703 6667 1 12 . 1 1 84 84 VAL N N 84 123.147 123.147 118.675 4.472 25703 6668 1 12 . 1 1 84 84 VAL HA H 84 4.417 4.417 4.152 0.265 25703 6669 1 12 . 1 1 84 84 VAL C C 84 175.128 175.128 173.794 1.334 25703 6670 1 12 . 1 1 84 84 VAL CA C 84 61.453 61.453 62.045 -0.592 25703 6671 1 12 . 1 1 84 84 VAL CB C 84 33.692 33.692 34.686 -0.994 25703 6672 1 12 . 1 1 84 84 VAL H H 84 9.258 9.258 8.247 1.011 25703 6673 1 12 . 1 1 85 85 ALA N N 85 122.281 122.281 120.529 1.752 25703 6674 1 12 . 1 1 85 85 ALA HA H 85 4.414 4.414 4.516 -0.102 25703 6675 1 12 . 1 1 85 85 ALA C C 85 173.291 173.291 174.700 -1.409 25703 6676 1 12 . 1 1 85 85 ALA CA C 85 53.133 53.133 51.893 1.240 25703 6677 1 12 . 1 1 85 85 ALA CB C 85 22.544 22.544 21.187 1.357 25703 6678 1 12 . 1 1 85 85 ALA H H 85 7.573 7.573 7.670 -0.097 25703 6679 1 12 . 1 1 86 86 LYS N N 86 120.704 120.704 121.090 -0.386 25703 6680 1 12 . 1 1 86 86 LYS HA H 86 4.933 4.933 4.511 0.422 25703 6681 1 12 . 1 1 86 86 LYS C C 86 174.506 174.506 174.429 0.077 25703 6682 1 12 . 1 1 86 86 LYS CA C 86 55.860 55.860 55.711 0.149 25703 6683 1 12 . 1 1 86 86 LYS CB C 86 35.979 35.979 33.747 2.232 25703 6684 1 12 . 1 1 86 86 LYS H H 86 8.014 8.014 8.349 -0.335 25703 6685 1 12 . 1 1 87 87 VAL N N 87 126.817 126.817 125.338 1.479 25703 6686 1 12 . 1 1 87 87 VAL HA H 87 4.276 4.276 4.369 -0.093 25703 6687 1 12 . 1 1 87 87 VAL C C 87 174.002 174.002 173.992 0.010 25703 6688 1 12 . 1 1 87 87 VAL CA C 87 62.070 62.070 61.014 1.056 25703 6689 1 12 . 1 1 87 87 VAL CB C 87 34.958 34.958 35.282 -0.325 25703 6690 1 12 . 1 1 87 87 VAL H H 87 9.186 9.186 8.700 0.486 25703 6691 1 12 . 1 1 88 88 VAL N N 88 129.683 129.683 125.820 3.863 25703 6692 1 12 . 1 1 88 88 VAL HA H 88 4.446 4.446 4.326 0.120 25703 6693 1 12 . 1 1 88 88 VAL C C 88 175.594 175.594 174.925 0.669 25703 6694 1 12 . 1 1 88 88 VAL CA C 88 62.462 62.462 61.334 1.128 25703 6695 1 12 . 1 1 88 88 VAL CB C 88 33.275 33.275 32.732 0.543 25703 6696 1 12 . 1 1 88 88 VAL H H 88 9.026 9.026 8.418 0.608 25703 6697 1 12 . 1 1 89 89 GLY N N 89 114.918 114.918 116.335 -1.417 25703 6698 1 12 . 1 1 89 89 GLY CA C 89 44.014 44.014 45.889 -1.875 25703 6699 1 12 . 1 1 89 89 GLY H H 89 8.298 8.298 8.066 0.232 25703 6700 1 12 . 1 1 90 90 ALA HA H 90 4.227 4.227 4.008 0.219 25703 6701 1 12 . 1 1 90 90 ALA C C 90 174.279 174.279 175.493 -1.214 25703 6702 1 12 . 1 1 90 90 ALA CA C 90 50.915 50.915 52.614 -1.699 25703 6703 1 12 . 1 1 90 90 ALA CB C 90 18.480 18.480 18.083 0.397 25703 6704 1 12 . 1 1 91 91 ASN N N 91 121.022 121.022 118.486 2.536 25703 6705 1 12 . 1 1 91 91 ASN HA H 91 5.114 5.114 4.898 0.216 25703 6706 1 12 . 1 1 91 91 ASN CA C 91 50.500 50.500 50.687 -0.187 25703 6707 1 12 . 1 1 91 91 ASN CB C 91 39.514 39.514 38.933 0.581 25703 6708 1 12 . 1 1 91 91 ASN H H 91 7.360 7.360 8.303 -0.943 25703 6709 1 12 . 1 1 92 92 PRO HA H 92 4.116 4.116 4.500 -0.384 25703 6710 1 12 . 1 1 92 92 PRO CA C 92 63.392 63.392 64.344 -0.952 25703 6711 1 12 . 1 1 93 93 ALA HA H 93 4.074 4.074 4.267 -0.193 25703 6712 1 12 . 1 1 93 93 ALA C C 93 179.673 179.673 178.381 1.292 25703 6713 1 12 . 1 1 93 93 ALA CA C 93 55.353 55.353 53.968 1.385 25703 6714 1 12 . 1 1 93 93 ALA CB C 93 18.455 18.455 18.459 -0.003 25703 6715 1 12 . 1 1 94 94 ALA N N 94 121.514 121.514 120.922 0.592 25703 6716 1 12 . 1 1 94 94 ALA HA H 94 4.064 4.064 4.204 -0.140 25703 6717 1 12 . 1 1 94 94 ALA C C 94 180.373 180.373 179.198 1.175 25703 6718 1 12 . 1 1 94 94 ALA CA C 94 55.418 55.418 54.040 1.378 25703 6719 1 12 . 1 1 94 94 ALA CB C 94 19.268 19.268 18.478 0.790 25703 6720 1 12 . 1 1 94 94 ALA H H 94 7.228 7.228 8.196 -0.968 25703 6721 1 12 . 1 1 95 95 ILE N N 95 120.330 120.330 119.241 1.089 25703 6722 1 12 . 1 1 95 95 ILE HA H 95 3.358 3.358 3.845 -0.487 25703 6723 1 12 . 1 1 95 95 ILE C C 95 175.639 175.639 177.120 -1.481 25703 6724 1 12 . 1 1 95 95 ILE CA C 95 66.564 66.564 62.837 3.727 25703 6725 1 12 . 1 1 95 95 ILE CB C 95 38.854 38.854 37.856 0.998 25703 6726 1 12 . 1 1 95 95 ILE H H 95 7.738 7.738 8.246 -0.508 25703 6727 1 12 . 1 1 96 96 LYS N N 96 119.846 119.846 119.693 0.153 25703 6728 1 12 . 1 1 96 96 LYS HA H 96 3.144 3.144 3.916 -0.772 25703 6729 1 12 . 1 1 96 96 LYS C C 96 177.288 177.288 178.782 -1.494 25703 6730 1 12 . 1 1 96 96 LYS CA C 96 60.420 60.420 59.050 1.370 25703 6731 1 12 . 1 1 96 96 LYS CB C 96 32.612 32.612 31.716 0.896 25703 6732 1 12 . 1 1 96 96 LYS H H 96 8.087 8.087 7.703 0.384 25703 6733 1 12 . 1 1 97 97 GLN N N 97 116.484 116.484 119.084 -2.600 25703 6734 1 12 . 1 1 97 97 GLN HA H 97 3.848 3.848 4.065 -0.217 25703 6735 1 12 . 1 1 97 97 GLN C C 97 177.461 177.461 178.088 -0.627 25703 6736 1 12 . 1 1 97 97 GLN CA C 97 59.069 59.069 58.992 0.077 25703 6737 1 12 . 1 1 97 97 GLN CB C 97 28.799 28.799 28.584 0.215 25703 6738 1 12 . 1 1 97 97 GLN H H 97 7.700 7.700 7.598 0.102 25703 6739 1 12 . 1 1 98 98 ALA N N 98 121.852 121.852 121.819 0.033 25703 6740 1 12 . 1 1 98 98 ALA HA H 98 3.921 3.921 4.129 -0.208 25703 6741 1 12 . 1 1 98 98 ALA C C 98 174.452 174.452 179.880 -5.428 25703 6742 1 12 . 1 1 98 98 ALA CA C 98 55.207 55.207 54.828 0.379 25703 6743 1 12 . 1 1 98 98 ALA CB C 98 18.356 18.356 18.588 -0.232 25703 6744 1 12 . 1 1 98 98 ALA H H 98 7.456 7.456 7.539 -0.083 25703 6745 1 12 . 1 1 99 99 ILE N N 99 118.810 118.810 118.398 0.412 25703 6746 1 12 . 1 1 99 99 ILE HA H 99 3.037 3.037 3.948 -0.911 25703 6747 1 12 . 1 1 99 99 ILE C C 99 176.476 176.476 176.627 -0.151 25703 6748 1 12 . 1 1 99 99 ILE CA C 99 65.925 65.925 63.499 2.426 25703 6749 1 12 . 1 1 99 99 ILE CB C 99 38.622 38.622 37.373 1.249 25703 6750 1 12 . 1 1 99 99 ILE H H 99 7.692 7.692 8.615 -0.923 25703 6751 1 12 . 1 1 100 100 ALA N N 100 120.478 120.478 120.471 0.007 25703 6752 1 12 . 1 1 100 100 ALA HA H 100 3.713 3.713 4.222 -0.509 25703 6753 1 12 . 1 1 100 100 ALA C C 100 179.910 179.910 178.687 1.223 25703 6754 1 12 . 1 1 100 100 ALA CA C 100 55.491 55.491 53.560 1.931 25703 6755 1 12 . 1 1 100 100 ALA CB C 100 18.656 18.656 19.530 -0.875 25703 6756 1 12 . 1 1 100 100 ALA H H 100 8.164 8.164 7.739 0.425 25703 6757 1 12 . 1 1 101 101 ALA N N 101 116.616 116.616 120.807 -4.191 25703 6758 1 12 . 1 1 101 101 ALA HA H 101 4.084 4.084 4.071 0.013 25703 6759 1 12 . 1 1 101 101 ALA C C 101 177.705 177.705 179.010 -1.305 25703 6760 1 12 . 1 1 101 101 ALA CA C 101 54.113 54.113 54.236 -0.123 25703 6761 1 12 . 1 1 101 101 ALA CB C 101 19.576 19.576 19.295 0.281 25703 6762 1 12 . 1 1 101 101 ALA H H 101 7.649 7.649 7.869 -0.220 25703 6763 1 12 . 1 1 102 102 ASN N N 102 114.293 114.293 115.608 -1.315 25703 6764 1 12 . 1 1 102 102 ASN HA H 102 4.753 4.753 4.785 -0.032 25703 6765 1 12 . 1 1 102 102 ASN C C 102 172.210 172.210 176.031 -3.821 25703 6766 1 12 . 1 1 102 102 ASN CA C 102 54.809 54.809 54.093 0.716 25703 6767 1 12 . 1 1 102 102 ASN CB C 102 43.388 43.388 39.663 3.725 25703 6768 1 12 . 1 1 102 102 ASN H H 102 7.110 7.110 7.989 -0.879 25703 6769 1 13 . 1 1 2 2 VAL N N 2 125.982 125.982 122.581 3.401 25703 6770 1 13 . 1 1 2 2 VAL HA H 2 4.054 4.054 4.491 -0.437 25703 6771 1 13 . 1 1 2 2 VAL CA C 2 61.397 61.397 61.986 -0.589 25703 6772 1 13 . 1 1 2 2 VAL CB C 2 32.844 32.844 32.940 -0.095 25703 6773 1 13 . 1 1 2 2 VAL H H 2 8.576 8.576 8.335 0.241 25703 6774 1 13 . 1 1 3 3 THR N N 3 126.926 126.926 122.588 4.338 25703 6775 1 13 . 1 1 3 3 THR HA H 3 4.120 4.120 4.430 -0.310 25703 6776 1 13 . 1 1 3 3 THR C C 3 172.671 172.671 173.230 -0.559 25703 6777 1 13 . 1 1 3 3 THR CA C 3 64.010 64.010 63.196 0.814 25703 6778 1 13 . 1 1 3 3 THR CB C 3 70.030 70.030 69.843 0.187 25703 6779 1 13 . 1 1 3 3 THR H H 3 7.787 7.787 8.114 -0.327 25703 6780 1 13 . 1 1 4 4 GLN N N 4 128.743 128.743 123.540 5.203 25703 6781 1 13 . 1 1 4 4 GLN HA H 4 4.726 4.726 4.854 -0.128 25703 6782 1 13 . 1 1 4 4 GLN C C 4 176.254 176.254 175.032 1.222 25703 6783 1 13 . 1 1 4 4 GLN CA C 4 54.925 54.925 54.087 0.839 25703 6784 1 13 . 1 1 4 4 GLN CB C 4 30.039 30.039 30.259 -0.220 25703 6785 1 13 . 1 1 4 4 GLN H H 4 8.976 8.976 8.267 0.709 25703 6786 1 13 . 1 1 5 5 PHE N N 5 127.295 127.295 123.308 3.987 25703 6787 1 13 . 1 1 5 5 PHE HA H 5 4.793 4.793 4.292 0.501 25703 6788 1 13 . 1 1 5 5 PHE C C 5 175.627 175.627 176.693 -1.066 25703 6789 1 13 . 1 1 5 5 PHE CA C 5 59.080 59.080 57.108 1.972 25703 6790 1 13 . 1 1 5 5 PHE CB C 5 41.083 41.083 40.187 0.896 25703 6791 1 13 . 1 1 5 5 PHE H H 5 8.434 8.434 8.346 0.088 25703 6792 1 13 . 1 1 6 6 LYS N N 6 120.464 120.464 115.496 4.968 25703 6793 1 13 . 1 1 6 6 LYS HA H 6 4.623 4.623 4.491 0.132 25703 6794 1 13 . 1 1 6 6 LYS C C 6 176.504 176.504 175.734 0.770 25703 6795 1 13 . 1 1 6 6 LYS CA C 6 56.526 56.526 56.137 0.389 25703 6796 1 13 . 1 1 6 6 LYS CB C 6 34.660 34.660 34.218 0.442 25703 6797 1 13 . 1 1 6 6 LYS H H 6 9.821 9.821 8.466 1.355 25703 6798 1 13 . 1 1 7 7 THR N N 7 108.286 108.286 109.066 -0.780 25703 6799 1 13 . 1 1 7 7 THR HA H 7 4.738 4.738 4.708 0.030 25703 6800 1 13 . 1 1 7 7 THR C C 7 173.410 173.410 174.752 -1.342 25703 6801 1 13 . 1 1 7 7 THR CA C 7 59.287 59.287 59.373 -0.086 25703 6802 1 13 . 1 1 7 7 THR CB C 7 73.138 73.138 72.350 0.787 25703 6803 1 13 . 1 1 7 7 THR H H 7 7.467 7.467 7.437 0.030 25703 6804 1 13 . 1 1 8 8 ALA N N 8 125.007 125.007 125.291 -0.284 25703 6805 1 13 . 1 1 8 8 ALA HA H 8 3.705 3.705 4.156 -0.451 25703 6806 1 13 . 1 1 8 8 ALA C C 8 178.859 178.859 179.442 -0.583 25703 6807 1 13 . 1 1 8 8 ALA CA C 8 55.453 55.453 55.023 0.430 25703 6808 1 13 . 1 1 8 8 ALA CB C 8 18.689 18.689 18.082 0.607 25703 6809 1 13 . 1 1 8 8 ALA H H 8 9.038 9.038 8.949 0.089 25703 6810 1 13 . 1 1 9 9 SER N N 9 113.408 113.408 112.507 0.901 25703 6811 1 13 . 1 1 9 9 SER HA H 9 4.124 4.124 4.093 0.031 25703 6812 1 13 . 1 1 9 9 SER C C 9 176.575 176.575 176.483 0.092 25703 6813 1 13 . 1 1 9 9 SER CA C 9 61.528 61.528 61.157 0.371 25703 6814 1 13 . 1 1 9 9 SER CB C 9 62.703 62.703 62.310 0.393 25703 6815 1 13 . 1 1 9 9 SER H H 9 8.159 8.159 8.457 -0.298 25703 6816 1 13 . 1 1 10 10 GLU N N 10 123.005 123.005 122.360 0.645 25703 6817 1 13 . 1 1 10 10 GLU HA H 10 3.853 3.853 3.755 0.098 25703 6818 1 13 . 1 1 10 10 GLU C C 10 178.294 178.294 178.091 0.203 25703 6819 1 13 . 1 1 10 10 GLU CA C 10 59.266 59.266 58.396 0.870 25703 6820 1 13 . 1 1 10 10 GLU CB C 10 31.536 31.536 28.732 2.804 25703 6821 1 13 . 1 1 10 10 GLU H H 10 7.552 7.552 7.470 0.082 25703 6822 1 13 . 1 1 11 11 PHE N N 11 121.633 121.633 119.859 1.774 25703 6823 1 13 . 1 1 11 11 PHE HA H 11 2.864 2.864 3.736 -0.872 25703 6824 1 13 . 1 1 11 11 PHE C C 11 176.786 176.786 176.827 -0.041 25703 6825 1 13 . 1 1 11 11 PHE CA C 11 61.182 61.182 60.901 0.281 25703 6826 1 13 . 1 1 11 11 PHE CB C 11 38.202 38.202 39.229 -1.027 25703 6827 1 13 . 1 1 11 11 PHE H H 11 6.632 6.632 7.641 -1.009 25703 6828 1 13 . 1 1 12 12 ASP N N 12 118.991 118.991 119.301 -0.310 25703 6829 1 13 . 1 1 12 12 ASP HA H 12 3.841 3.841 3.845 -0.004 25703 6830 1 13 . 1 1 12 12 ASP C C 12 178.286 178.286 178.507 -0.221 25703 6831 1 13 . 1 1 12 12 ASP CA C 12 57.547 57.547 57.439 0.108 25703 6832 1 13 . 1 1 12 12 ASP CB C 12 40.790 40.790 40.662 0.128 25703 6833 1 13 . 1 1 12 12 ASP H H 12 7.687 7.687 8.380 -0.693 25703 6834 1 13 . 1 1 13 13 SER N N 13 112.966 112.966 114.770 -1.804 25703 6835 1 13 . 1 1 13 13 SER HA H 13 4.022 4.022 4.090 -0.068 25703 6836 1 13 . 1 1 13 13 SER C C 13 175.827 175.827 175.921 -0.094 25703 6837 1 13 . 1 1 13 13 SER CA C 13 61.410 61.410 60.999 0.411 25703 6838 1 13 . 1 1 13 13 SER CB C 13 63.499 63.499 62.706 0.793 25703 6839 1 13 . 1 1 13 13 SER H H 13 7.563 7.563 7.812 -0.249 25703 6840 1 13 . 1 1 14 14 ALA N N 14 124.823 124.823 123.042 1.781 25703 6841 1 13 . 1 1 14 14 ALA HA H 14 4.025 4.025 4.304 -0.279 25703 6842 1 13 . 1 1 14 14 ALA C C 14 179.909 179.909 179.919 -0.010 25703 6843 1 13 . 1 1 14 14 ALA CA C 14 54.710 54.710 54.416 0.294 25703 6844 1 13 . 1 1 14 14 ALA CB C 14 19.286 19.286 18.974 0.312 25703 6845 1 13 . 1 1 14 14 ALA H H 14 7.671 7.671 7.165 0.506 25703 6846 1 13 . 1 1 15 15 ILE N N 15 108.002 108.002 114.922 -6.920 25703 6847 1 13 . 1 1 15 15 ILE HA H 15 3.721 3.721 3.802 -0.081 25703 6848 1 13 . 1 1 15 15 ILE C C 15 175.512 175.512 176.929 -1.417 25703 6849 1 13 . 1 1 15 15 ILE CA C 15 64.058 64.058 63.955 0.103 25703 6850 1 13 . 1 1 15 15 ILE CB C 15 38.277 38.277 37.040 1.237 25703 6851 1 13 . 1 1 15 15 ILE H H 15 7.195 7.195 7.960 -0.765 25703 6852 1 13 . 1 1 16 16 ALA N N 16 123.051 123.051 120.926 2.125 25703 6853 1 13 . 1 1 16 16 ALA HA H 16 4.013 4.013 4.260 -0.247 25703 6854 1 13 . 1 1 16 16 ALA C C 16 176.636 176.636 178.037 -1.401 25703 6855 1 13 . 1 1 16 16 ALA CA C 16 52.318 52.318 52.478 -0.160 25703 6856 1 13 . 1 1 16 16 ALA CB C 16 18.956 18.956 18.613 0.343 25703 6857 1 13 . 1 1 16 16 ALA H H 16 6.623 6.623 7.434 -0.811 25703 6858 1 13 . 1 1 17 17 GLN N N 17 116.236 116.236 118.982 -2.746 25703 6859 1 13 . 1 1 17 17 GLN HA H 17 4.198 4.198 4.250 -0.052 25703 6860 1 13 . 1 1 17 17 GLN C C 17 174.965 174.965 175.241 -0.276 25703 6861 1 13 . 1 1 17 17 GLN CA C 17 56.422 56.422 55.193 1.229 25703 6862 1 13 . 1 1 17 17 GLN CB C 17 34.338 34.338 29.370 4.968 25703 6863 1 13 . 1 1 17 17 GLN H H 17 7.140 7.140 7.690 -0.550 25703 6864 1 13 . 1 1 18 18 ASP N N 18 123.905 123.905 121.329 2.576 25703 6865 1 13 . 1 1 18 18 ASP HA H 18 4.998 4.998 4.461 0.537 25703 6866 1 13 . 1 1 18 18 ASP C C 18 174.817 174.817 175.157 -0.340 25703 6867 1 13 . 1 1 18 18 ASP CB C 18 39.414 39.414 40.595 -1.181 25703 6868 1 13 . 1 1 18 18 ASP H H 18 8.651 8.651 8.902 -0.251 25703 6869 1 13 . 1 1 19 19 LYS N N 19 119.499 119.499 115.451 4.048 25703 6870 1 13 . 1 1 19 19 LYS HA H 19 4.384 4.384 4.710 -0.326 25703 6871 1 13 . 1 1 19 19 LYS C C 19 172.740 172.740 174.841 -2.101 25703 6872 1 13 . 1 1 19 19 LYS CA C 19 55.163 55.163 54.033 1.130 25703 6873 1 13 . 1 1 19 19 LYS CB C 19 34.721 34.721 34.955 -0.233 25703 6874 1 13 . 1 1 19 19 LYS H H 19 7.950 7.950 7.393 0.557 25703 6875 1 13 . 1 1 20 20 LEU N N 20 121.877 121.877 122.841 -0.964 25703 6876 1 13 . 1 1 20 20 LEU HA H 20 4.972 4.972 4.358 0.614 25703 6877 1 13 . 1 1 20 20 LEU C C 20 173.937 173.937 175.155 -1.218 25703 6878 1 13 . 1 1 20 20 LEU CA C 20 57.132 57.132 54.876 2.256 25703 6879 1 13 . 1 1 20 20 LEU CB C 20 42.012 42.012 40.888 1.125 25703 6880 1 13 . 1 1 20 20 LEU H H 20 8.641 8.641 8.822 -0.181 25703 6881 1 13 . 1 1 21 21 VAL N N 21 129.812 129.812 128.731 1.081 25703 6882 1 13 . 1 1 21 21 VAL HA H 21 4.439 4.439 4.499 -0.060 25703 6883 1 13 . 1 1 21 21 VAL C C 21 173.493 173.493 174.328 -0.835 25703 6884 1 13 . 1 1 21 21 VAL CA C 21 62.510 62.510 61.446 1.064 25703 6885 1 13 . 1 1 21 21 VAL CB C 21 34.732 34.732 33.284 1.448 25703 6886 1 13 . 1 1 21 21 VAL H H 21 9.263 9.263 9.281 -0.018 25703 6887 1 13 . 1 1 22 22 VAL N N 22 131.684 131.684 129.247 2.437 25703 6888 1 13 . 1 1 22 22 VAL HA H 22 4.408 4.408 4.617 -0.209 25703 6889 1 13 . 1 1 22 22 VAL C C 22 174.331 174.331 173.831 0.500 25703 6890 1 13 . 1 1 22 22 VAL CA C 22 61.561 61.561 60.216 1.345 25703 6891 1 13 . 1 1 22 22 VAL CB C 22 33.630 33.630 32.079 1.551 25703 6892 1 13 . 1 1 22 22 VAL H H 22 9.006 9.006 8.649 0.357 25703 6893 1 13 . 1 1 23 23 VAL N N 23 126.475 126.475 129.488 -3.013 25703 6894 1 13 . 1 1 23 23 VAL HA H 23 4.422 4.422 4.652 -0.230 25703 6895 1 13 . 1 1 23 23 VAL C C 23 174.342 174.342 174.127 0.215 25703 6896 1 13 . 1 1 23 23 VAL CA C 23 61.672 61.672 60.933 0.739 25703 6897 1 13 . 1 1 23 23 VAL CB C 23 34.042 34.042 34.507 -0.465 25703 6898 1 13 . 1 1 23 23 VAL H H 23 9.551 9.551 8.595 0.956 25703 6899 1 13 . 1 1 24 24 ALA N N 24 131.649 131.649 126.939 4.710 25703 6900 1 13 . 1 1 24 24 ALA HA H 24 4.953 4.953 5.636 -0.683 25703 6901 1 13 . 1 1 24 24 ALA C C 24 174.683 174.683 176.591 -1.908 25703 6902 1 13 . 1 1 24 24 ALA CA C 24 51.712 51.712 49.473 2.239 25703 6903 1 13 . 1 1 24 24 ALA CB C 24 20.149 20.149 22.602 -2.453 25703 6904 1 13 . 1 1 24 24 ALA H H 24 8.991 8.991 7.959 1.032 25703 6905 1 13 . 1 1 25 25 PHE N N 25 124.535 124.535 123.158 1.377 25703 6906 1 13 . 1 1 25 25 PHE HA H 25 5.002 5.002 5.156 -0.154 25703 6907 1 13 . 1 1 25 25 PHE C C 25 174.231 174.231 173.968 0.263 25703 6908 1 13 . 1 1 25 25 PHE CA C 25 58.196 58.196 56.565 1.631 25703 6909 1 13 . 1 1 25 25 PHE CB C 25 40.231 40.231 38.670 1.561 25703 6910 1 13 . 1 1 25 25 PHE H H 25 9.231 9.231 8.769 0.462 25703 6911 1 13 . 1 1 26 26 TYR N N 26 121.986 121.986 122.819 -0.833 25703 6912 1 13 . 1 1 26 26 TYR HA H 26 5.112 5.112 4.662 0.450 25703 6913 1 13 . 1 1 26 26 TYR C C 26 170.727 170.727 173.860 -3.133 25703 6914 1 13 . 1 1 26 26 TYR CA C 26 55.240 55.240 56.391 -1.151 25703 6915 1 13 . 1 1 26 26 TYR CB C 26 43.023 43.023 43.993 -0.971 25703 6916 1 13 . 1 1 26 26 TYR H H 26 8.869 8.869 9.108 -0.239 25703 6917 1 13 . 1 1 27 27 ALA N N 27 117.474 117.474 119.808 -2.334 25703 6918 1 13 . 1 1 27 27 ALA HA H 27 4.329 4.329 4.476 -0.147 25703 6919 1 13 . 1 1 27 27 ALA C C 27 178.755 178.755 176.212 2.543 25703 6920 1 13 . 1 1 27 27 ALA CA C 27 50.966 50.966 51.020 -0.054 25703 6921 1 13 . 1 1 27 27 ALA CB C 27 22.735 22.735 19.963 2.772 25703 6922 1 13 . 1 1 27 27 ALA H H 27 6.235 6.235 7.854 -1.619 25703 6923 1 13 . 1 1 28 28 THR N N 28 119.624 119.624 112.675 6.949 25703 6924 1 13 . 1 1 28 28 THR HA H 28 3.907 3.907 4.152 -0.245 25703 6925 1 13 . 1 1 28 28 THR C C 28 174.360 174.360 174.594 -0.234 25703 6926 1 13 . 1 1 28 28 THR CA C 28 65.865 65.865 63.332 2.533 25703 6927 1 13 . 1 1 28 28 THR CB C 28 69.336 69.336 68.981 0.355 25703 6928 1 13 . 1 1 28 28 THR H H 28 10.381 10.381 8.600 1.781 25703 6929 1 13 . 1 1 29 29 TRP N N 29 115.983 115.983 118.801 -2.818 25703 6930 1 13 . 1 1 29 29 TRP HA H 29 4.590 4.590 4.908 -0.318 25703 6931 1 13 . 1 1 29 29 TRP CA C 29 53.924 53.924 53.568 0.356 25703 6932 1 13 . 1 1 29 29 TRP CB C 29 29.460 29.460 27.925 1.535 25703 6933 1 13 . 1 1 29 29 TRP H H 29 6.472 6.472 6.725 -0.253 25703 6934 1 13 . 1 1 30 30 CYS HA H 30 3.857 3.857 4.870 -1.013 25703 6935 1 13 . 1 1 30 30 CYS CA C 30 58.536 58.536 57.661 0.875 25703 6936 1 13 . 1 1 30 30 CYS CB C 30 37.005 37.005 29.732 7.273 25703 6937 1 13 . 1 1 31 31 GLY CA C 31 48.989 48.989 47.511 1.478 25703 6938 1 13 . 1 1 32 32 PRO HA H 32 4.398 4.398 4.360 0.038 25703 6939 1 13 . 1 1 32 32 PRO C C 32 177.189 177.189 178.301 -1.112 25703 6940 1 13 . 1 1 32 32 PRO CA C 32 65.366 65.366 64.194 1.172 25703 6941 1 13 . 1 1 32 32 PRO CB C 32 32.289 32.289 31.240 1.049 25703 6942 1 13 . 1 1 33 33 CYS N N 33 111.468 111.468 115.876 -4.408 25703 6943 1 13 . 1 1 33 33 CYS HA H 33 4.223 4.223 4.319 -0.096 25703 6944 1 13 . 1 1 33 33 CYS CA C 33 65.801 65.801 63.190 2.611 25703 6945 1 13 . 1 1 33 33 CYS CB C 33 34.949 34.949 26.465 8.484 25703 6946 1 13 . 1 1 33 33 CYS H H 33 7.991 7.991 8.149 -0.158 25703 6947 1 13 . 1 1 34 34 LYS HA H 34 3.968 3.968 4.066 -0.098 25703 6948 1 13 . 1 1 34 34 LYS C C 34 178.052 178.052 178.844 -0.792 25703 6949 1 13 . 1 1 34 34 LYS CA C 34 59.661 59.661 58.818 0.843 25703 6950 1 13 . 1 1 34 34 LYS CB C 34 32.513 32.513 32.127 0.386 25703 6951 1 13 . 1 1 35 35 MET N N 35 117.236 117.236 117.837 -0.601 25703 6952 1 13 . 1 1 35 35 MET HA H 35 4.194 4.194 4.154 0.040 25703 6953 1 13 . 1 1 35 35 MET C C 35 177.451 177.451 178.352 -0.901 25703 6954 1 13 . 1 1 35 35 MET CA C 35 57.938 57.938 58.769 -0.831 25703 6955 1 13 . 1 1 35 35 MET CB C 35 32.628 32.628 32.508 0.120 25703 6956 1 13 . 1 1 35 35 MET H H 35 7.326 7.326 7.619 -0.293 25703 6957 1 13 . 1 1 36 36 ILE N N 36 113.758 113.758 119.159 -5.401 25703 6958 1 13 . 1 1 36 36 ILE HA H 36 4.345 4.345 3.895 0.450 25703 6959 1 13 . 1 1 36 36 ILE C C 36 176.183 176.183 176.640 -0.457 25703 6960 1 13 . 1 1 36 36 ILE CA C 36 60.656 60.656 62.297 -1.641 25703 6961 1 13 . 1 1 36 36 ILE CB C 36 39.657 39.657 37.497 2.160 25703 6962 1 13 . 1 1 36 36 ILE H H 36 7.315 7.315 7.877 -0.562 25703 6963 1 13 . 1 1 37 37 ALA N N 37 126.738 126.738 124.986 1.752 25703 6964 1 13 . 1 1 37 37 ALA HA H 37 4.095 4.095 3.993 0.102 25703 6965 1 13 . 1 1 37 37 ALA CA C 37 57.562 57.562 56.602 0.960 25703 6966 1 13 . 1 1 37 37 ALA CB C 37 15.912 15.912 16.025 -0.113 25703 6967 1 13 . 1 1 37 37 ALA H H 37 7.447 7.447 7.734 -0.287 25703 6968 1 13 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.263 0.006 25703 6969 1 13 . 1 1 38 38 PRO C C 38 178.922 178.922 178.424 0.498 25703 6970 1 13 . 1 1 38 38 PRO CA C 38 65.743 65.743 65.331 0.412 25703 6971 1 13 . 1 1 38 38 PRO CB C 38 31.224 31.224 31.380 -0.156 25703 6972 1 13 . 1 1 39 39 MET N N 39 118.310 118.310 117.417 0.893 25703 6973 1 13 . 1 1 39 39 MET HA H 39 3.859 3.859 3.917 -0.058 25703 6974 1 13 . 1 1 39 39 MET C C 39 174.441 174.441 177.947 -3.506 25703 6975 1 13 . 1 1 39 39 MET CA C 39 58.390 58.390 57.102 1.288 25703 6976 1 13 . 1 1 39 39 MET CB C 39 31.394 31.394 31.242 0.152 25703 6977 1 13 . 1 1 39 39 MET H H 39 7.063 7.063 7.235 -0.172 25703 6978 1 13 . 1 1 40 40 ILE N N 40 119.013 119.013 118.968 0.045 25703 6979 1 13 . 1 1 40 40 ILE HA H 40 3.595 3.595 3.355 0.240 25703 6980 1 13 . 1 1 40 40 ILE C C 40 177.267 177.267 178.132 -0.865 25703 6981 1 13 . 1 1 40 40 ILE CA C 40 64.393 64.393 65.039 -0.646 25703 6982 1 13 . 1 1 40 40 ILE CB C 40 36.259 36.259 37.349 -1.089 25703 6983 1 13 . 1 1 40 40 ILE H H 40 7.752 7.752 8.581 -0.829 25703 6984 1 13 . 1 1 41 41 GLU N N 41 119.530 119.530 121.405 -1.875 25703 6985 1 13 . 1 1 41 41 GLU HA H 41 3.572 3.572 3.724 -0.152 25703 6986 1 13 . 1 1 41 41 GLU C C 41 179.597 179.597 178.308 1.289 25703 6987 1 13 . 1 1 41 41 GLU CA C 41 59.878 59.878 59.555 0.323 25703 6988 1 13 . 1 1 41 41 GLU CB C 41 29.900 29.900 29.250 0.650 25703 6989 1 13 . 1 1 41 41 GLU H H 41 7.442 7.442 7.731 -0.289 25703 6990 1 13 . 1 1 42 42 LYS N N 42 122.053 122.053 118.938 3.115 25703 6991 1 13 . 1 1 42 42 LYS HA H 42 3.932 3.932 4.258 -0.326 25703 6992 1 13 . 1 1 42 42 LYS C C 42 179.390 179.390 179.199 0.191 25703 6993 1 13 . 1 1 42 42 LYS CA C 42 59.532 59.532 58.943 0.589 25703 6994 1 13 . 1 1 42 42 LYS CB C 42 31.281 31.281 32.179 -0.898 25703 6995 1 13 . 1 1 42 42 LYS H H 42 7.428 7.428 7.469 -0.041 25703 6996 1 13 . 1 1 43 43 PHE N N 43 120.250 120.250 117.679 2.571 25703 6997 1 13 . 1 1 43 43 PHE HA H 43 4.639 4.639 4.272 0.367 25703 6998 1 13 . 1 1 43 43 PHE C C 43 177.337 177.337 176.573 0.764 25703 6999 1 13 . 1 1 43 43 PHE CA C 43 59.331 59.331 58.798 0.533 25703 7000 1 13 . 1 1 43 43 PHE CB C 43 37.737 37.737 37.851 -0.114 25703 7001 1 13 . 1 1 43 43 PHE H H 43 8.337 8.337 8.017 0.320 25703 7002 1 13 . 1 1 44 44 SER N N 44 117.203 117.203 111.810 5.393 25703 7003 1 13 . 1 1 44 44 SER HA H 44 2.967 2.967 2.713 0.254 25703 7004 1 13 . 1 1 44 44 SER C C 44 174.934 174.934 175.518 -0.584 25703 7005 1 13 . 1 1 44 44 SER CA C 44 61.159 61.159 59.363 1.796 25703 7006 1 13 . 1 1 44 44 SER CB C 44 62.353 62.353 61.783 0.570 25703 7007 1 13 . 1 1 44 44 SER H H 44 7.754 7.754 7.775 -0.021 25703 7008 1 13 . 1 1 45 45 GLU N N 45 121.664 121.664 118.686 2.978 25703 7009 1 13 . 1 1 45 45 GLU HA H 45 4.049 4.049 3.990 0.059 25703 7010 1 13 . 1 1 45 45 GLU C C 45 177.360 177.360 176.361 0.999 25703 7011 1 13 . 1 1 45 45 GLU CA C 45 57.739 57.739 57.857 -0.118 25703 7012 1 13 . 1 1 45 45 GLU CB C 45 30.191 30.191 29.773 0.418 25703 7013 1 13 . 1 1 45 45 GLU H H 45 6.884 6.884 7.372 -0.488 25703 7014 1 13 . 1 1 46 46 GLN N N 46 118.766 118.766 115.144 3.622 25703 7015 1 13 . 1 1 46 46 GLN HA H 46 3.948 3.948 4.298 -0.350 25703 7016 1 13 . 1 1 46 46 GLN C C 46 177.431 177.431 175.321 2.110 25703 7017 1 13 . 1 1 46 46 GLN CA C 46 58.372 58.372 54.764 3.608 25703 7018 1 13 . 1 1 46 46 GLN CB C 46 30.160 30.160 28.894 1.266 25703 7019 1 13 . 1 1 46 46 GLN H H 46 7.551 7.551 6.913 0.638 25703 7020 1 13 . 1 1 47 47 TYR N N 47 117.012 117.012 120.150 -3.138 25703 7021 1 13 . 1 1 47 47 TYR HA H 47 4.971 4.971 4.757 0.214 25703 7022 1 13 . 1 1 47 47 TYR CA C 47 56.523 56.523 54.353 2.170 25703 7023 1 13 . 1 1 47 47 TYR CB C 47 38.479 38.479 37.345 1.134 25703 7024 1 13 . 1 1 47 47 TYR H H 47 7.426 7.426 6.889 0.537 25703 7025 1 13 . 1 1 48 48 PRO HA H 48 4.388 4.388 4.366 0.022 25703 7026 1 13 . 1 1 48 48 PRO C C 48 176.927 176.927 177.213 -0.286 25703 7027 1 13 . 1 1 48 48 PRO CA C 48 65.425 65.425 64.528 0.897 25703 7028 1 13 . 1 1 48 48 PRO CB C 48 32.619 32.619 32.147 0.472 25703 7029 1 13 . 1 1 49 49 GLN N N 49 120.194 120.194 116.207 3.987 25703 7030 1 13 . 1 1 49 49 GLN HA H 49 4.369 4.369 4.357 0.012 25703 7031 1 13 . 1 1 49 49 GLN C C 49 174.438 174.438 174.979 -0.541 25703 7032 1 13 . 1 1 49 49 GLN CA C 49 56.832 56.832 55.256 1.576 25703 7033 1 13 . 1 1 49 49 GLN CB C 49 28.164 28.164 28.151 0.013 25703 7034 1 13 . 1 1 49 49 GLN H H 49 9.624 9.624 8.536 1.088 25703 7035 1 13 . 1 1 50 50 ALA N N 50 128.180 128.180 122.524 5.656 25703 7036 1 13 . 1 1 50 50 ALA HA H 50 5.048 5.048 4.407 0.641 25703 7037 1 13 . 1 1 50 50 ALA C C 50 174.685 174.685 175.962 -1.277 25703 7038 1 13 . 1 1 50 50 ALA CA C 50 50.518 50.518 50.452 0.066 25703 7039 1 13 . 1 1 50 50 ALA CB C 50 22.754 22.754 20.942 1.812 25703 7040 1 13 . 1 1 50 50 ALA H H 50 8.179 8.179 7.636 0.543 25703 7041 1 13 . 1 1 51 51 ASP N N 51 121.032 121.032 122.950 -1.918 25703 7042 1 13 . 1 1 51 51 ASP HA H 51 5.102 5.102 4.788 0.314 25703 7043 1 13 . 1 1 51 51 ASP C C 51 174.171 174.171 174.529 -0.358 25703 7044 1 13 . 1 1 51 51 ASP CA C 51 53.515 53.515 53.834 -0.319 25703 7045 1 13 . 1 1 51 51 ASP CB C 51 44.782 44.782 43.152 1.630 25703 7046 1 13 . 1 1 51 51 ASP H H 51 8.435 8.435 8.566 -0.131 25703 7047 1 13 . 1 1 52 52 PHE N N 52 121.696 121.696 120.456 1.240 25703 7048 1 13 . 1 1 52 52 PHE HA H 52 5.172 5.172 4.795 0.377 25703 7049 1 13 . 1 1 52 52 PHE C C 52 174.110 174.110 173.282 0.828 25703 7050 1 13 . 1 1 52 52 PHE CA C 52 57.189 57.189 55.005 2.184 25703 7051 1 13 . 1 1 52 52 PHE CB C 52 42.291 42.291 39.134 3.157 25703 7052 1 13 . 1 1 52 52 PHE H H 52 8.983 8.983 7.888 1.095 25703 7053 1 13 . 1 1 53 53 TYR N N 53 122.042 122.042 122.335 -0.293 25703 7054 1 13 . 1 1 53 53 TYR HA H 53 5.495 5.495 5.177 0.318 25703 7055 1 13 . 1 1 53 53 TYR C C 53 174.002 174.002 175.228 -1.226 25703 7056 1 13 . 1 1 53 53 TYR CA C 53 56.214 56.214 56.026 0.188 25703 7057 1 13 . 1 1 53 53 TYR CB C 53 46.407 46.407 41.666 4.741 25703 7058 1 13 . 1 1 53 53 TYR H H 53 9.362 9.362 8.630 0.732 25703 7059 1 13 . 1 1 54 54 LYS N N 54 116.808 116.808 122.353 -5.545 25703 7060 1 13 . 1 1 54 54 LYS HA H 54 5.505 5.505 4.534 0.971 25703 7061 1 13 . 1 1 54 54 LYS C C 54 172.792 172.792 175.067 -2.275 25703 7062 1 13 . 1 1 54 54 LYS CA C 54 53.943 53.943 55.178 -1.236 25703 7063 1 13 . 1 1 54 54 LYS CB C 54 36.950 36.950 34.859 2.091 25703 7064 1 13 . 1 1 54 54 LYS H H 54 8.463 8.463 8.911 -0.448 25703 7065 1 13 . 1 1 55 55 LEU N N 55 123.826 123.826 123.767 0.059 25703 7066 1 13 . 1 1 55 55 LEU HA H 55 4.472 4.472 4.685 -0.213 25703 7067 1 13 . 1 1 55 55 LEU C C 55 171.652 171.652 175.542 -3.890 25703 7068 1 13 . 1 1 55 55 LEU CA C 55 55.906 55.906 53.473 2.433 25703 7069 1 13 . 1 1 55 55 LEU CB C 55 46.528 46.528 44.393 2.135 25703 7070 1 13 . 1 1 55 55 LEU H H 55 8.688 8.688 9.061 -0.373 25703 7071 1 13 . 1 1 56 56 ASP N N 56 127.169 127.169 119.594 7.575 25703 7072 1 13 . 1 1 56 56 ASP HA H 56 4.130 4.130 5.038 -0.908 25703 7073 1 13 . 1 1 56 56 ASP C C 56 177.692 177.692 177.166 0.526 25703 7074 1 13 . 1 1 56 56 ASP CA C 56 54.074 54.074 52.980 1.093 25703 7075 1 13 . 1 1 56 56 ASP CB C 56 41.388 41.388 41.515 -0.127 25703 7076 1 13 . 1 1 56 56 ASP H H 56 8.595 8.595 8.881 -0.286 25703 7077 1 13 . 1 1 57 57 VAL N N 57 123.562 123.562 124.394 -0.832 25703 7078 1 13 . 1 1 57 57 VAL HA H 57 3.491 3.491 3.818 -0.327 25703 7079 1 13 . 1 1 57 57 VAL C C 57 175.413 175.413 175.667 -0.254 25703 7080 1 13 . 1 1 57 57 VAL CA C 57 65.095 65.095 64.994 0.101 25703 7081 1 13 . 1 1 57 57 VAL CB C 57 31.658 31.658 32.212 -0.554 25703 7082 1 13 . 1 1 57 57 VAL H H 57 8.712 8.712 9.031 -0.319 25703 7083 1 13 . 1 1 58 58 ASP N N 58 120.070 120.070 118.153 1.917 25703 7084 1 13 . 1 1 58 58 ASP HA H 58 4.827 4.827 4.565 0.262 25703 7085 1 13 . 1 1 58 58 ASP C C 58 177.131 177.131 178.002 -0.871 25703 7086 1 13 . 1 1 58 58 ASP CA C 58 57.693 57.693 56.967 0.726 25703 7087 1 13 . 1 1 58 58 ASP CB C 58 40.827 40.827 41.314 -0.487 25703 7088 1 13 . 1 1 58 58 ASP H H 58 8.670 8.670 8.417 0.253 25703 7089 1 13 . 1 1 59 59 GLU N N 59 120.889 120.889 117.683 3.206 25703 7090 1 13 . 1 1 59 59 GLU HA H 59 4.358 4.358 4.461 -0.103 25703 7091 1 13 . 1 1 59 59 GLU C C 59 176.606 176.606 177.751 -1.145 25703 7092 1 13 . 1 1 59 59 GLU CA C 59 57.881 57.881 57.072 0.809 25703 7093 1 13 . 1 1 59 59 GLU CB C 59 32.138 32.138 31.006 1.132 25703 7094 1 13 . 1 1 59 59 GLU H H 59 7.616 7.616 8.124 -0.508 25703 7095 1 13 . 1 1 60 60 LEU N N 60 122.457 122.457 120.710 1.747 25703 7096 1 13 . 1 1 60 60 LEU HA H 60 4.916 4.916 4.708 0.208 25703 7097 1 13 . 1 1 60 60 LEU C C 60 176.538 176.538 177.515 -0.977 25703 7098 1 13 . 1 1 60 60 LEU CA C 60 52.864 52.864 53.132 -0.268 25703 7099 1 13 . 1 1 60 60 LEU CB C 60 42.270 42.270 39.556 2.714 25703 7100 1 13 . 1 1 60 60 LEU H H 60 7.690 7.690 8.285 -0.595 25703 7101 1 13 . 1 1 61 61 GLY N N 61 112.065 112.065 109.167 2.898 25703 7102 1 13 . 1 1 61 61 GLY C C 61 175.917 175.917 175.523 0.394 25703 7103 1 13 . 1 1 61 61 GLY CA C 61 48.760 48.760 46.934 1.826 25703 7104 1 13 . 1 1 61 61 GLY H H 61 8.267 8.267 7.657 0.610 25703 7105 1 13 . 1 1 62 62 ASP N N 62 120.904 120.904 120.702 0.202 25703 7106 1 13 . 1 1 62 62 ASP HA H 62 4.302 4.302 4.326 -0.024 25703 7107 1 13 . 1 1 62 62 ASP C C 62 178.355 178.355 178.290 0.065 25703 7108 1 13 . 1 1 62 62 ASP CA C 62 57.045 57.045 56.831 0.214 25703 7109 1 13 . 1 1 62 62 ASP CB C 62 39.646 39.646 39.965 -0.319 25703 7110 1 13 . 1 1 62 62 ASP H H 62 9.155 9.155 8.361 0.794 25703 7111 1 13 . 1 1 63 63 VAL N N 63 121.465 121.465 120.545 0.920 25703 7112 1 13 . 1 1 63 63 VAL HA H 63 3.310 3.310 3.639 -0.330 25703 7113 1 13 . 1 1 63 63 VAL C C 63 178.724 178.724 177.467 1.257 25703 7114 1 13 . 1 1 63 63 VAL CA C 63 65.878 65.878 65.420 0.458 25703 7115 1 13 . 1 1 63 63 VAL CB C 63 31.718 31.718 31.540 0.178 25703 7116 1 13 . 1 1 63 63 VAL H H 63 7.263 7.263 7.606 -0.343 25703 7117 1 13 . 1 1 64 64 ALA N N 64 123.341 123.341 120.631 2.710 25703 7118 1 13 . 1 1 64 64 ALA HA H 64 3.774 3.774 2.991 0.783 25703 7119 1 13 . 1 1 64 64 ALA C C 64 177.984 177.984 179.508 -1.524 25703 7120 1 13 . 1 1 64 64 ALA CA C 64 56.326 56.326 54.667 1.659 25703 7121 1 13 . 1 1 64 64 ALA CB C 64 18.296 18.296 17.596 0.700 25703 7122 1 13 . 1 1 64 64 ALA H H 64 7.248 7.248 7.409 -0.161 25703 7123 1 13 . 1 1 65 65 GLN N N 65 118.749 118.749 116.891 1.858 25703 7124 1 13 . 1 1 65 65 GLN HA H 65 4.013 4.013 4.062 -0.049 25703 7125 1 13 . 1 1 65 65 GLN CA C 65 59.524 59.524 58.078 1.446 25703 7126 1 13 . 1 1 65 65 GLN CB C 65 28.802 28.802 28.162 0.640 25703 7127 1 13 . 1 1 65 65 GLN H H 65 8.276 8.276 7.785 0.491 25703 7128 1 13 . 1 1 66 66 LYS N N 66 120.950 120.950 120.497 0.453 25703 7129 1 13 . 1 1 66 66 LYS HA H 66 4.033 4.033 4.085 -0.052 25703 7130 1 13 . 1 1 66 66 LYS C C 66 176.439 176.439 178.018 -1.579 25703 7131 1 13 . 1 1 66 66 LYS CA C 66 59.276 59.276 58.879 0.397 25703 7132 1 13 . 1 1 66 66 LYS CB C 66 32.706 32.706 32.239 0.467 25703 7133 1 13 . 1 1 66 66 LYS H H 66 7.984 7.984 7.765 0.219 25703 7134 1 13 . 1 1 67 67 ASN N N 67 115.512 115.512 115.174 0.338 25703 7135 1 13 . 1 1 67 67 ASN HA H 67 4.698 4.698 5.054 -0.356 25703 7136 1 13 . 1 1 67 67 ASN C C 67 171.075 171.075 173.835 -2.760 25703 7137 1 13 . 1 1 67 67 ASN CA C 67 54.555 54.555 53.273 1.282 25703 7138 1 13 . 1 1 67 67 ASN CB C 67 40.572 40.572 38.964 1.608 25703 7139 1 13 . 1 1 67 67 ASN H H 67 7.052 7.052 7.564 -0.512 25703 7140 1 13 . 1 1 68 68 GLU N N 68 115.540 115.540 115.957 -0.417 25703 7141 1 13 . 1 1 68 68 GLU HA H 68 3.724 3.724 3.862 -0.138 25703 7142 1 13 . 1 1 68 68 GLU C C 68 175.135 175.135 174.920 0.215 25703 7143 1 13 . 1 1 68 68 GLU CA C 68 57.472 57.472 57.236 0.236 25703 7144 1 13 . 1 1 68 68 GLU CB C 68 27.320 27.320 27.333 -0.013 25703 7145 1 13 . 1 1 68 68 GLU H H 68 7.708 7.708 7.768 -0.060 25703 7146 1 13 . 1 1 69 69 VAL N N 69 121.037 121.037 119.788 1.249 25703 7147 1 13 . 1 1 69 69 VAL HA H 69 3.891 3.891 4.169 -0.278 25703 7148 1 13 . 1 1 69 69 VAL C C 69 174.845 174.845 175.800 -0.955 25703 7149 1 13 . 1 1 69 69 VAL CA C 69 63.315 63.315 62.464 0.851 25703 7150 1 13 . 1 1 69 69 VAL CB C 69 31.259 31.259 32.075 -0.816 25703 7151 1 13 . 1 1 69 69 VAL H H 69 7.786 7.786 8.265 -0.479 25703 7152 1 13 . 1 1 70 70 SER N N 70 123.071 123.071 122.525 0.546 25703 7153 1 13 . 1 1 70 70 SER HA H 70 4.453 4.453 4.521 -0.068 25703 7154 1 13 . 1 1 70 70 SER C C 70 172.450 172.450 173.857 -1.407 25703 7155 1 13 . 1 1 70 70 SER CA C 70 58.194 58.194 58.332 -0.138 25703 7156 1 13 . 1 1 70 70 SER CB C 70 65.148 65.148 64.046 1.102 25703 7157 1 13 . 1 1 70 70 SER H H 70 8.556 8.556 8.695 -0.139 25703 7158 1 13 . 1 1 71 71 ALA N N 71 127.000 127.000 125.931 1.069 25703 7159 1 13 . 1 1 71 71 ALA HA H 71 4.554 4.554 4.681 -0.127 25703 7160 1 13 . 1 1 71 71 ALA C C 71 175.018 175.018 175.386 -0.368 25703 7161 1 13 . 1 1 71 71 ALA CA C 71 51.898 51.898 51.732 0.166 25703 7162 1 13 . 1 1 71 71 ALA CB C 71 21.560 21.560 21.088 0.472 25703 7163 1 13 . 1 1 71 71 ALA H H 71 7.884 7.884 7.822 0.062 25703 7164 1 13 . 1 1 72 72 MET N N 72 120.240 120.240 121.692 -1.452 25703 7165 1 13 . 1 1 72 72 MET HA H 72 4.827 4.827 5.363 -0.536 25703 7166 1 13 . 1 1 72 72 MET CA C 72 57.888 57.888 51.846 6.042 25703 7167 1 13 . 1 1 72 72 MET CB C 72 36.102 36.102 32.749 3.353 25703 7168 1 13 . 1 1 72 72 MET H H 72 8.664 8.664 8.406 0.258 25703 7169 1 13 . 1 1 73 73 PRO HA H 73 4.988 4.988 4.972 0.016 25703 7170 1 13 . 1 1 73 73 PRO C C 73 175.162 175.162 176.496 -1.334 25703 7171 1 13 . 1 1 73 73 PRO CA C 73 64.042 64.042 61.800 2.242 25703 7172 1 13 . 1 1 73 73 PRO CB C 73 35.151 35.151 32.244 2.907 25703 7173 1 13 . 1 1 74 74 THR N N 74 114.942 114.942 115.102 -0.160 25703 7174 1 13 . 1 1 74 74 THR HA H 74 4.995 4.995 4.617 0.378 25703 7175 1 13 . 1 1 74 74 THR C C 74 170.891 170.891 173.147 -2.256 25703 7176 1 13 . 1 1 74 74 THR CA C 74 63.926 63.926 62.163 1.763 25703 7177 1 13 . 1 1 74 74 THR CB C 74 73.856 73.856 71.919 1.937 25703 7178 1 13 . 1 1 74 74 THR H H 74 7.490 7.490 8.187 -0.697 25703 7179 1 13 . 1 1 75 75 LEU N N 75 132.149 132.149 128.147 4.002 25703 7180 1 13 . 1 1 75 75 LEU HA H 75 5.493 5.493 5.051 0.442 25703 7181 1 13 . 1 1 75 75 LEU C C 75 174.331 174.331 174.731 -0.400 25703 7182 1 13 . 1 1 75 75 LEU CA C 75 53.852 53.852 54.129 -0.277 25703 7183 1 13 . 1 1 75 75 LEU CB C 75 45.160 45.160 43.145 2.015 25703 7184 1 13 . 1 1 75 75 LEU H H 75 9.427 9.427 8.838 0.589 25703 7185 1 13 . 1 1 76 76 LEU N N 76 124.814 124.814 125.145 -0.331 25703 7186 1 13 . 1 1 76 76 LEU HA H 76 4.932 4.932 4.649 0.283 25703 7187 1 13 . 1 1 76 76 LEU C C 76 173.732 173.732 175.489 -1.757 25703 7188 1 13 . 1 1 76 76 LEU CA C 76 54.032 54.032 53.647 0.385 25703 7189 1 13 . 1 1 76 76 LEU CB C 76 46.726 46.726 43.390 3.336 25703 7190 1 13 . 1 1 76 76 LEU H H 76 9.240 9.240 9.142 0.098 25703 7191 1 13 . 1 1 77 77 LEU N N 77 123.770 123.770 121.377 2.393 25703 7192 1 13 . 1 1 77 77 LEU HA H 77 5.251 5.251 5.039 0.212 25703 7193 1 13 . 1 1 77 77 LEU C C 77 174.442 174.442 176.249 -1.807 25703 7194 1 13 . 1 1 77 77 LEU CA C 77 55.087 55.087 54.053 1.034 25703 7195 1 13 . 1 1 77 77 LEU CB C 77 43.250 43.250 42.055 1.195 25703 7196 1 13 . 1 1 77 77 LEU H H 77 8.175 8.175 7.776 0.399 25703 7197 1 13 . 1 1 78 78 PHE N N 78 122.975 122.975 124.422 -1.447 25703 7198 1 13 . 1 1 78 78 PHE HA H 78 5.397 5.397 4.888 0.509 25703 7199 1 13 . 1 1 78 78 PHE C C 78 173.920 173.920 174.840 -0.920 25703 7200 1 13 . 1 1 78 78 PHE CA C 78 56.867 56.867 57.371 -0.504 25703 7201 1 13 . 1 1 78 78 PHE CB C 78 44.858 44.858 42.622 2.236 25703 7202 1 13 . 1 1 78 78 PHE H H 78 9.742 9.742 9.586 0.156 25703 7203 1 13 . 1 1 79 79 LYS N N 79 118.164 118.164 120.966 -2.802 25703 7204 1 13 . 1 1 79 79 LYS HA H 79 4.817 4.817 5.073 -0.256 25703 7205 1 13 . 1 1 79 79 LYS C C 79 177.194 177.194 176.121 1.073 25703 7206 1 13 . 1 1 79 79 LYS CA C 79 57.980 57.980 55.576 2.404 25703 7207 1 13 . 1 1 79 79 LYS CB C 79 37.031 37.031 35.880 1.151 25703 7208 1 13 . 1 1 79 79 LYS H H 79 8.745 8.745 8.667 0.078 25703 7209 1 13 . 1 1 80 80 ASN N N 80 126.660 126.660 122.606 4.054 25703 7210 1 13 . 1 1 80 80 ASN HA H 80 4.291 4.291 4.372 -0.081 25703 7211 1 13 . 1 1 80 80 ASN C C 80 174.868 174.868 176.216 -1.348 25703 7212 1 13 . 1 1 80 80 ASN CA C 80 54.925 54.925 54.025 0.900 25703 7213 1 13 . 1 1 80 80 ASN CB C 80 38.055 38.055 36.756 1.299 25703 7214 1 13 . 1 1 80 80 ASN H H 80 8.893 8.893 9.564 -0.671 25703 7215 1 13 . 1 1 81 81 GLY N N 81 103.991 103.991 105.503 -1.512 25703 7216 1 13 . 1 1 81 81 GLY C C 81 172.724 172.724 174.624 -1.900 25703 7217 1 13 . 1 1 81 81 GLY CA C 81 46.145 46.145 45.519 0.626 25703 7218 1 13 . 1 1 81 81 GLY H H 81 8.639 8.639 8.804 -0.165 25703 7219 1 13 . 1 1 82 82 LYS N N 82 120.266 120.266 119.176 1.090 25703 7220 1 13 . 1 1 82 82 LYS HA H 82 4.937 4.937 4.442 0.495 25703 7221 1 13 . 1 1 82 82 LYS C C 82 174.364 174.364 176.104 -1.740 25703 7222 1 13 . 1 1 82 82 LYS CA C 82 55.602 55.602 55.794 -0.192 25703 7223 1 13 . 1 1 82 82 LYS CB C 82 35.830 35.830 33.546 2.284 25703 7224 1 13 . 1 1 82 82 LYS H H 82 7.576 7.576 8.176 -0.600 25703 7225 1 13 . 1 1 83 83 GLU N N 83 126.445 126.445 116.884 9.561 25703 7226 1 13 . 1 1 83 83 GLU HA H 83 3.867 3.867 3.986 -0.119 25703 7227 1 13 . 1 1 83 83 GLU C C 83 176.728 176.728 174.190 2.538 25703 7228 1 13 . 1 1 83 83 GLU CA C 83 57.345 57.345 57.697 -0.352 25703 7229 1 13 . 1 1 83 83 GLU CB C 83 30.927 30.927 29.140 1.787 25703 7230 1 13 . 1 1 83 83 GLU H H 83 8.819 8.819 7.804 1.015 25703 7231 1 13 . 1 1 84 84 VAL N N 84 123.147 123.147 120.081 3.066 25703 7232 1 13 . 1 1 84 84 VAL HA H 84 4.417 4.417 4.118 0.299 25703 7233 1 13 . 1 1 84 84 VAL C C 84 175.128 175.128 173.757 1.371 25703 7234 1 13 . 1 1 84 84 VAL CA C 84 61.453 61.453 62.541 -1.088 25703 7235 1 13 . 1 1 84 84 VAL CB C 84 33.692 33.692 35.114 -1.422 25703 7236 1 13 . 1 1 84 84 VAL H H 84 9.258 9.258 8.053 1.205 25703 7237 1 13 . 1 1 85 85 ALA N N 85 122.281 122.281 120.767 1.514 25703 7238 1 13 . 1 1 85 85 ALA HA H 85 4.414 4.414 4.522 -0.108 25703 7239 1 13 . 1 1 85 85 ALA C C 85 173.291 173.291 174.911 -1.620 25703 7240 1 13 . 1 1 85 85 ALA CA C 85 53.133 53.133 51.355 1.778 25703 7241 1 13 . 1 1 85 85 ALA CB C 85 22.544 22.544 21.066 1.478 25703 7242 1 13 . 1 1 85 85 ALA H H 85 7.573 7.573 7.687 -0.114 25703 7243 1 13 . 1 1 86 86 LYS N N 86 120.704 120.704 121.316 -0.612 25703 7244 1 13 . 1 1 86 86 LYS HA H 86 4.933 4.933 4.375 0.558 25703 7245 1 13 . 1 1 86 86 LYS C C 86 174.506 174.506 174.261 0.245 25703 7246 1 13 . 1 1 86 86 LYS CA C 86 55.860 55.860 55.766 0.094 25703 7247 1 13 . 1 1 86 86 LYS CB C 86 35.979 35.979 33.387 2.592 25703 7248 1 13 . 1 1 86 86 LYS H H 86 8.014 8.014 8.357 -0.343 25703 7249 1 13 . 1 1 87 87 VAL N N 87 126.817 126.817 125.930 0.887 25703 7250 1 13 . 1 1 87 87 VAL HA H 87 4.276 4.276 4.425 -0.149 25703 7251 1 13 . 1 1 87 87 VAL C C 87 174.002 174.002 173.675 0.327 25703 7252 1 13 . 1 1 87 87 VAL CA C 87 62.070 62.070 61.032 1.038 25703 7253 1 13 . 1 1 87 87 VAL CB C 87 34.958 34.958 35.528 -0.570 25703 7254 1 13 . 1 1 87 87 VAL H H 87 9.186 9.186 8.683 0.503 25703 7255 1 13 . 1 1 88 88 VAL N N 88 129.683 129.683 124.927 4.756 25703 7256 1 13 . 1 1 88 88 VAL HA H 88 4.446 4.446 4.487 -0.041 25703 7257 1 13 . 1 1 88 88 VAL C C 88 175.594 175.594 174.571 1.023 25703 7258 1 13 . 1 1 88 88 VAL CA C 88 62.462 62.462 61.507 0.955 25703 7259 1 13 . 1 1 88 88 VAL CB C 88 33.275 33.275 32.898 0.377 25703 7260 1 13 . 1 1 88 88 VAL H H 88 9.026 9.026 8.439 0.587 25703 7261 1 13 . 1 1 89 89 GLY N N 89 114.918 114.918 116.204 -1.286 25703 7262 1 13 . 1 1 89 89 GLY CA C 89 44.014 44.014 45.921 -1.907 25703 7263 1 13 . 1 1 89 89 GLY H H 89 8.298 8.298 7.924 0.374 25703 7264 1 13 . 1 1 90 90 ALA HA H 90 4.227 4.227 3.879 0.348 25703 7265 1 13 . 1 1 90 90 ALA C C 90 174.279 174.279 175.865 -1.586 25703 7266 1 13 . 1 1 90 90 ALA CA C 90 50.915 50.915 52.948 -2.033 25703 7267 1 13 . 1 1 90 90 ALA CB C 90 18.480 18.480 17.742 0.738 25703 7268 1 13 . 1 1 91 91 ASN N N 91 121.022 121.022 119.547 1.475 25703 7269 1 13 . 1 1 91 91 ASN HA H 91 5.114 5.114 5.114 -0.000 25703 7270 1 13 . 1 1 91 91 ASN CA C 91 50.500 50.500 50.437 0.063 25703 7271 1 13 . 1 1 91 91 ASN CB C 91 39.514 39.514 38.707 0.807 25703 7272 1 13 . 1 1 91 91 ASN H H 91 7.360 7.360 8.324 -0.964 25703 7273 1 13 . 1 1 92 92 PRO HA H 92 4.116 4.116 4.414 -0.298 25703 7274 1 13 . 1 1 92 92 PRO CA C 92 63.392 63.392 64.350 -0.958 25703 7275 1 13 . 1 1 93 93 ALA HA H 93 4.074 4.074 4.386 -0.312 25703 7276 1 13 . 1 1 93 93 ALA C C 93 179.673 179.673 179.092 0.581 25703 7277 1 13 . 1 1 93 93 ALA CA C 93 55.353 55.353 53.825 1.528 25703 7278 1 13 . 1 1 93 93 ALA CB C 93 18.455 18.455 18.441 0.014 25703 7279 1 13 . 1 1 94 94 ALA N N 94 121.514 121.514 121.178 0.336 25703 7280 1 13 . 1 1 94 94 ALA HA H 94 4.064 4.064 4.170 -0.106 25703 7281 1 13 . 1 1 94 94 ALA C C 94 180.373 180.373 179.111 1.262 25703 7282 1 13 . 1 1 94 94 ALA CA C 94 55.418 55.418 54.096 1.323 25703 7283 1 13 . 1 1 94 94 ALA CB C 94 19.268 19.268 18.276 0.992 25703 7284 1 13 . 1 1 94 94 ALA H H 94 7.228 7.228 8.155 -0.927 25703 7285 1 13 . 1 1 95 95 ILE N N 95 120.330 120.330 118.815 1.515 25703 7286 1 13 . 1 1 95 95 ILE HA H 95 3.358 3.358 3.787 -0.429 25703 7287 1 13 . 1 1 95 95 ILE C C 95 175.639 175.639 177.069 -1.430 25703 7288 1 13 . 1 1 95 95 ILE CA C 95 66.564 66.564 62.849 3.715 25703 7289 1 13 . 1 1 95 95 ILE CB C 95 38.854 38.854 38.080 0.774 25703 7290 1 13 . 1 1 95 95 ILE H H 95 7.738 7.738 7.763 -0.025 25703 7291 1 13 . 1 1 96 96 LYS N N 96 119.846 119.846 119.179 0.667 25703 7292 1 13 . 1 1 96 96 LYS HA H 96 3.144 3.144 3.995 -0.851 25703 7293 1 13 . 1 1 96 96 LYS C C 96 177.288 177.288 179.048 -1.760 25703 7294 1 13 . 1 1 96 96 LYS CA C 96 60.420 60.420 59.137 1.283 25703 7295 1 13 . 1 1 96 96 LYS CB C 96 32.612 32.612 31.511 1.101 25703 7296 1 13 . 1 1 96 96 LYS H H 96 8.087 8.087 7.753 0.334 25703 7297 1 13 . 1 1 97 97 GLN N N 97 116.484 116.484 119.303 -2.819 25703 7298 1 13 . 1 1 97 97 GLN HA H 97 3.848 3.848 4.047 -0.199 25703 7299 1 13 . 1 1 97 97 GLN C C 97 177.461 177.461 178.182 -0.721 25703 7300 1 13 . 1 1 97 97 GLN CA C 97 59.069 59.069 59.052 0.017 25703 7301 1 13 . 1 1 97 97 GLN CB C 97 28.799 28.799 28.402 0.397 25703 7302 1 13 . 1 1 97 97 GLN H H 97 7.700 7.700 7.668 0.032 25703 7303 1 13 . 1 1 98 98 ALA N N 98 121.852 121.852 121.125 0.727 25703 7304 1 13 . 1 1 98 98 ALA HA H 98 3.921 3.921 4.116 -0.195 25703 7305 1 13 . 1 1 98 98 ALA C C 98 174.452 174.452 179.838 -5.386 25703 7306 1 13 . 1 1 98 98 ALA CA C 98 55.207 55.207 54.696 0.511 25703 7307 1 13 . 1 1 98 98 ALA CB C 98 18.356 18.356 18.596 -0.240 25703 7308 1 13 . 1 1 98 98 ALA H H 98 7.456 7.456 7.608 -0.152 25703 7309 1 13 . 1 1 99 99 ILE N N 99 118.810 118.810 118.825 -0.015 25703 7310 1 13 . 1 1 99 99 ILE HA H 99 3.037 3.037 3.825 -0.788 25703 7311 1 13 . 1 1 99 99 ILE C C 99 176.476 176.476 177.209 -0.733 25703 7312 1 13 . 1 1 99 99 ILE CA C 99 65.925 65.925 62.852 3.073 25703 7313 1 13 . 1 1 99 99 ILE CB C 99 38.622 38.622 37.380 1.242 25703 7314 1 13 . 1 1 99 99 ILE H H 99 7.692 7.692 8.390 -0.698 25703 7315 1 13 . 1 1 100 100 ALA N N 100 120.478 120.478 121.550 -1.072 25703 7316 1 13 . 1 1 100 100 ALA HA H 100 3.713 3.713 4.189 -0.476 25703 7317 1 13 . 1 1 100 100 ALA C C 100 179.910 179.910 178.330 1.580 25703 7318 1 13 . 1 1 100 100 ALA CA C 100 55.491 55.491 53.398 2.094 25703 7319 1 13 . 1 1 100 100 ALA CB C 100 18.656 18.656 19.387 -0.731 25703 7320 1 13 . 1 1 100 100 ALA H H 100 8.164 8.164 8.255 -0.091 25703 7321 1 13 . 1 1 101 101 ALA N N 101 116.616 116.616 120.883 -4.267 25703 7322 1 13 . 1 1 101 101 ALA HA H 101 4.084 4.084 4.095 -0.011 25703 7323 1 13 . 1 1 101 101 ALA C C 101 177.705 177.705 178.842 -1.137 25703 7324 1 13 . 1 1 101 101 ALA CA C 101 54.113 54.113 54.094 0.019 25703 7325 1 13 . 1 1 101 101 ALA CB C 101 19.576 19.576 19.358 0.218 25703 7326 1 13 . 1 1 101 101 ALA H H 101 7.649 7.649 7.861 -0.212 25703 7327 1 13 . 1 1 102 102 ASN N N 102 114.293 114.293 116.399 -2.106 25703 7328 1 13 . 1 1 102 102 ASN HA H 102 4.753 4.753 4.633 0.120 25703 7329 1 13 . 1 1 102 102 ASN C C 102 172.210 172.210 176.546 -4.336 25703 7330 1 13 . 1 1 102 102 ASN CA C 102 54.809 54.809 53.505 1.304 25703 7331 1 13 . 1 1 102 102 ASN CB C 102 43.388 43.388 39.437 3.951 25703 7332 1 13 . 1 1 102 102 ASN H H 102 7.110 7.110 7.935 -0.825 25703 7333 1 14 . 1 1 2 2 VAL N N 2 125.982 125.982 121.782 4.200 25703 7334 1 14 . 1 1 2 2 VAL HA H 2 4.054 4.054 4.686 -0.632 25703 7335 1 14 . 1 1 2 2 VAL CA C 2 61.397 61.397 60.444 0.953 25703 7336 1 14 . 1 1 2 2 VAL CB C 2 32.844 32.844 34.225 -1.381 25703 7337 1 14 . 1 1 2 2 VAL H H 2 8.576 8.576 8.099 0.477 25703 7338 1 14 . 1 1 3 3 THR N N 3 126.926 126.926 120.023 6.903 25703 7339 1 14 . 1 1 3 3 THR HA H 3 4.120 4.120 4.521 -0.401 25703 7340 1 14 . 1 1 3 3 THR C C 3 172.671 172.671 173.489 -0.818 25703 7341 1 14 . 1 1 3 3 THR CA C 3 64.010 64.010 62.158 1.852 25703 7342 1 14 . 1 1 3 3 THR CB C 3 70.030 70.030 70.214 -0.184 25703 7343 1 14 . 1 1 3 3 THR H H 3 7.787 7.787 8.125 -0.338 25703 7344 1 14 . 1 1 4 4 GLN N N 4 128.743 128.743 122.535 6.208 25703 7345 1 14 . 1 1 4 4 GLN HA H 4 4.726 4.726 4.853 -0.127 25703 7346 1 14 . 1 1 4 4 GLN C C 4 176.254 176.254 175.035 1.219 25703 7347 1 14 . 1 1 4 4 GLN CA C 4 54.925 54.925 54.269 0.656 25703 7348 1 14 . 1 1 4 4 GLN CB C 4 30.039 30.039 30.046 -0.007 25703 7349 1 14 . 1 1 4 4 GLN H H 4 8.976 8.976 8.223 0.753 25703 7350 1 14 . 1 1 5 5 PHE N N 5 127.295 127.295 122.873 4.422 25703 7351 1 14 . 1 1 5 5 PHE HA H 5 4.793 4.793 4.593 0.200 25703 7352 1 14 . 1 1 5 5 PHE C C 5 175.627 175.627 177.023 -1.396 25703 7353 1 14 . 1 1 5 5 PHE CA C 5 59.080 59.080 56.346 2.733 25703 7354 1 14 . 1 1 5 5 PHE CB C 5 41.083 41.083 40.109 0.974 25703 7355 1 14 . 1 1 5 5 PHE H H 5 8.434 8.434 8.281 0.153 25703 7356 1 14 . 1 1 6 6 LYS N N 6 120.464 120.464 119.897 0.567 25703 7357 1 14 . 1 1 6 6 LYS HA H 6 4.623 4.623 4.389 0.234 25703 7358 1 14 . 1 1 6 6 LYS C C 6 176.504 176.504 175.855 0.649 25703 7359 1 14 . 1 1 6 6 LYS CA C 6 56.526 56.526 56.572 -0.046 25703 7360 1 14 . 1 1 6 6 LYS CB C 6 34.660 34.660 33.110 1.550 25703 7361 1 14 . 1 1 6 6 LYS H H 6 9.821 9.821 8.636 1.185 25703 7362 1 14 . 1 1 7 7 THR N N 7 108.286 108.286 109.260 -0.974 25703 7363 1 14 . 1 1 7 7 THR HA H 7 4.738 4.738 4.611 0.127 25703 7364 1 14 . 1 1 7 7 THR C C 7 173.410 173.410 174.785 -1.375 25703 7365 1 14 . 1 1 7 7 THR CA C 7 59.287 59.287 60.115 -0.828 25703 7366 1 14 . 1 1 7 7 THR CB C 7 73.138 73.138 72.093 1.045 25703 7367 1 14 . 1 1 7 7 THR H H 7 7.467 7.467 7.448 0.019 25703 7368 1 14 . 1 1 8 8 ALA N N 8 125.007 125.007 126.050 -1.043 25703 7369 1 14 . 1 1 8 8 ALA HA H 8 3.705 3.705 4.124 -0.419 25703 7370 1 14 . 1 1 8 8 ALA C C 8 178.859 178.859 179.954 -1.095 25703 7371 1 14 . 1 1 8 8 ALA CA C 8 55.453 55.453 55.256 0.197 25703 7372 1 14 . 1 1 8 8 ALA CB C 8 18.689 18.689 18.510 0.179 25703 7373 1 14 . 1 1 8 8 ALA H H 8 9.038 9.038 8.842 0.196 25703 7374 1 14 . 1 1 9 9 SER N N 9 113.408 113.408 113.156 0.252 25703 7375 1 14 . 1 1 9 9 SER HA H 9 4.124 4.124 4.149 -0.025 25703 7376 1 14 . 1 1 9 9 SER C C 9 176.575 176.575 176.939 -0.364 25703 7377 1 14 . 1 1 9 9 SER CA C 9 61.528 61.528 61.316 0.213 25703 7378 1 14 . 1 1 9 9 SER CB C 9 62.703 62.703 62.709 -0.006 25703 7379 1 14 . 1 1 9 9 SER H H 9 8.159 8.159 8.448 -0.289 25703 7380 1 14 . 1 1 10 10 GLU N N 10 123.005 123.005 121.432 1.573 25703 7381 1 14 . 1 1 10 10 GLU HA H 10 3.853 3.853 3.659 0.194 25703 7382 1 14 . 1 1 10 10 GLU C C 10 178.294 178.294 178.132 0.162 25703 7383 1 14 . 1 1 10 10 GLU CA C 10 59.266 59.266 58.870 0.396 25703 7384 1 14 . 1 1 10 10 GLU CB C 10 31.536 31.536 28.907 2.629 25703 7385 1 14 . 1 1 10 10 GLU H H 10 7.552 7.552 7.634 -0.082 25703 7386 1 14 . 1 1 11 11 PHE N N 11 121.633 121.633 119.472 2.161 25703 7387 1 14 . 1 1 11 11 PHE HA H 11 2.864 2.864 3.599 -0.735 25703 7388 1 14 . 1 1 11 11 PHE C C 11 176.786 176.786 176.829 -0.043 25703 7389 1 14 . 1 1 11 11 PHE CA C 11 61.182 61.182 60.711 0.471 25703 7390 1 14 . 1 1 11 11 PHE CB C 11 38.202 38.202 39.147 -0.945 25703 7391 1 14 . 1 1 11 11 PHE H H 11 6.632 6.632 7.522 -0.890 25703 7392 1 14 . 1 1 12 12 ASP N N 12 118.991 118.991 119.426 -0.435 25703 7393 1 14 . 1 1 12 12 ASP HA H 12 3.841 3.841 3.788 0.053 25703 7394 1 14 . 1 1 12 12 ASP C C 12 178.286 178.286 178.329 -0.043 25703 7395 1 14 . 1 1 12 12 ASP CA C 12 57.547 57.547 57.438 0.109 25703 7396 1 14 . 1 1 12 12 ASP CB C 12 40.790 40.790 40.535 0.256 25703 7397 1 14 . 1 1 12 12 ASP H H 12 7.687 7.687 8.511 -0.824 25703 7398 1 14 . 1 1 13 13 SER N N 13 112.966 112.966 115.037 -2.071 25703 7399 1 14 . 1 1 13 13 SER HA H 13 4.022 4.022 4.034 -0.012 25703 7400 1 14 . 1 1 13 13 SER C C 13 175.827 175.827 175.431 0.396 25703 7401 1 14 . 1 1 13 13 SER CA C 13 61.410 61.410 61.289 0.121 25703 7402 1 14 . 1 1 13 13 SER CB C 13 63.499 63.499 63.001 0.498 25703 7403 1 14 . 1 1 13 13 SER H H 13 7.563 7.563 8.037 -0.474 25703 7404 1 14 . 1 1 14 14 ALA N N 14 124.823 124.823 122.549 2.274 25703 7405 1 14 . 1 1 14 14 ALA HA H 14 4.025 4.025 4.383 -0.358 25703 7406 1 14 . 1 1 14 14 ALA C C 14 179.909 179.909 179.649 0.260 25703 7407 1 14 . 1 1 14 14 ALA CA C 14 54.710 54.710 54.059 0.651 25703 7408 1 14 . 1 1 14 14 ALA CB C 14 19.286 19.286 19.105 0.181 25703 7409 1 14 . 1 1 14 14 ALA H H 14 7.671 7.671 6.997 0.674 25703 7410 1 14 . 1 1 15 15 ILE N N 15 108.002 108.002 114.548 -6.546 25703 7411 1 14 . 1 1 15 15 ILE HA H 15 3.721 3.721 3.763 -0.042 25703 7412 1 14 . 1 1 15 15 ILE C C 15 175.512 175.512 176.759 -1.247 25703 7413 1 14 . 1 1 15 15 ILE CA C 15 64.058 64.058 63.817 0.241 25703 7414 1 14 . 1 1 15 15 ILE CB C 15 38.277 38.277 36.934 1.343 25703 7415 1 14 . 1 1 15 15 ILE H H 15 7.195 7.195 7.979 -0.784 25703 7416 1 14 . 1 1 16 16 ALA N N 16 123.051 123.051 121.102 1.949 25703 7417 1 14 . 1 1 16 16 ALA HA H 16 4.013 4.013 4.315 -0.302 25703 7418 1 14 . 1 1 16 16 ALA C C 16 176.636 176.636 177.973 -1.337 25703 7419 1 14 . 1 1 16 16 ALA CA C 16 52.318 52.318 51.917 0.401 25703 7420 1 14 . 1 1 16 16 ALA CB C 16 18.956 18.956 18.798 0.158 25703 7421 1 14 . 1 1 16 16 ALA H H 16 6.623 6.623 7.392 -0.769 25703 7422 1 14 . 1 1 17 17 GLN N N 17 116.236 116.236 119.042 -2.806 25703 7423 1 14 . 1 1 17 17 GLN HA H 17 4.198 4.198 4.229 -0.031 25703 7424 1 14 . 1 1 17 17 GLN C C 17 174.965 174.965 175.183 -0.218 25703 7425 1 14 . 1 1 17 17 GLN CA C 17 56.422 56.422 55.101 1.321 25703 7426 1 14 . 1 1 17 17 GLN CB C 17 34.338 34.338 29.337 5.001 25703 7427 1 14 . 1 1 17 17 GLN H H 17 7.140 7.140 7.624 -0.484 25703 7428 1 14 . 1 1 18 18 ASP N N 18 123.905 123.905 120.218 3.687 25703 7429 1 14 . 1 1 18 18 ASP HA H 18 4.998 4.998 4.408 0.590 25703 7430 1 14 . 1 1 18 18 ASP C C 18 174.817 174.817 175.512 -0.695 25703 7431 1 14 . 1 1 18 18 ASP CB C 18 39.414 39.414 40.706 -1.292 25703 7432 1 14 . 1 1 18 18 ASP H H 18 8.651 8.651 8.886 -0.235 25703 7433 1 14 . 1 1 19 19 LYS N N 19 119.499 119.499 115.553 3.946 25703 7434 1 14 . 1 1 19 19 LYS HA H 19 4.384 4.384 4.556 -0.172 25703 7435 1 14 . 1 1 19 19 LYS C C 19 172.740 172.740 174.762 -2.022 25703 7436 1 14 . 1 1 19 19 LYS CA C 19 55.163 55.163 54.951 0.212 25703 7437 1 14 . 1 1 19 19 LYS CB C 19 34.721 34.721 34.279 0.442 25703 7438 1 14 . 1 1 19 19 LYS H H 19 7.950 7.950 7.393 0.557 25703 7439 1 14 . 1 1 20 20 LEU N N 20 121.877 121.877 123.415 -1.538 25703 7440 1 14 . 1 1 20 20 LEU HA H 20 4.972 4.972 4.927 0.045 25703 7441 1 14 . 1 1 20 20 LEU C C 20 173.937 173.937 175.262 -1.325 25703 7442 1 14 . 1 1 20 20 LEU CA C 20 57.132 57.132 54.061 3.071 25703 7443 1 14 . 1 1 20 20 LEU CB C 20 42.012 42.012 41.652 0.360 25703 7444 1 14 . 1 1 20 20 LEU H H 20 8.641 8.641 8.807 -0.166 25703 7445 1 14 . 1 1 21 21 VAL N N 21 129.812 129.812 128.397 1.415 25703 7446 1 14 . 1 1 21 21 VAL HA H 21 4.439 4.439 4.580 -0.141 25703 7447 1 14 . 1 1 21 21 VAL C C 21 173.493 173.493 174.345 -0.852 25703 7448 1 14 . 1 1 21 21 VAL CA C 21 62.510 62.510 61.505 1.005 25703 7449 1 14 . 1 1 21 21 VAL CB C 21 34.732 34.732 33.842 0.890 25703 7450 1 14 . 1 1 21 21 VAL H H 21 9.263 9.263 9.118 0.145 25703 7451 1 14 . 1 1 22 22 VAL N N 22 131.684 131.684 129.907 1.777 25703 7452 1 14 . 1 1 22 22 VAL HA H 22 4.408 4.408 4.905 -0.497 25703 7453 1 14 . 1 1 22 22 VAL C C 22 174.331 174.331 173.861 0.470 25703 7454 1 14 . 1 1 22 22 VAL CA C 22 61.561 61.561 60.062 1.499 25703 7455 1 14 . 1 1 22 22 VAL CB C 22 33.630 33.630 33.309 0.321 25703 7456 1 14 . 1 1 22 22 VAL H H 22 9.006 9.006 9.034 -0.028 25703 7457 1 14 . 1 1 23 23 VAL N N 23 126.475 126.475 131.175 -4.700 25703 7458 1 14 . 1 1 23 23 VAL HA H 23 4.422 4.422 5.219 -0.797 25703 7459 1 14 . 1 1 23 23 VAL C C 23 174.342 174.342 174.315 0.027 25703 7460 1 14 . 1 1 23 23 VAL CA C 23 61.672 61.672 60.059 1.613 25703 7461 1 14 . 1 1 23 23 VAL CB C 23 34.042 34.042 35.566 -1.524 25703 7462 1 14 . 1 1 23 23 VAL H H 23 9.551 9.551 8.327 1.224 25703 7463 1 14 . 1 1 24 24 ALA N N 24 131.649 131.649 126.687 4.962 25703 7464 1 14 . 1 1 24 24 ALA HA H 24 4.953 4.953 5.624 -0.671 25703 7465 1 14 . 1 1 24 24 ALA C C 24 174.683 174.683 177.175 -2.492 25703 7466 1 14 . 1 1 24 24 ALA CA C 24 51.712 51.712 49.451 2.261 25703 7467 1 14 . 1 1 24 24 ALA CB C 24 20.149 20.149 21.580 -1.431 25703 7468 1 14 . 1 1 24 24 ALA H H 24 8.991 8.991 8.222 0.769 25703 7469 1 14 . 1 1 25 25 PHE N N 25 124.535 124.535 124.625 -0.090 25703 7470 1 14 . 1 1 25 25 PHE HA H 25 5.002 5.002 4.851 0.151 25703 7471 1 14 . 1 1 25 25 PHE C C 25 174.231 174.231 175.564 -1.333 25703 7472 1 14 . 1 1 25 25 PHE CA C 25 58.196 58.196 60.076 -1.880 25703 7473 1 14 . 1 1 25 25 PHE CB C 25 40.231 40.231 39.519 0.712 25703 7474 1 14 . 1 1 25 25 PHE H H 25 9.231 9.231 8.681 0.550 25703 7475 1 14 . 1 1 26 26 TYR N N 26 121.986 121.986 123.373 -1.387 25703 7476 1 14 . 1 1 26 26 TYR HA H 26 5.112 5.112 4.725 0.387 25703 7477 1 14 . 1 1 26 26 TYR C C 26 170.727 170.727 174.038 -3.311 25703 7478 1 14 . 1 1 26 26 TYR CA C 26 55.240 55.240 57.133 -1.893 25703 7479 1 14 . 1 1 26 26 TYR CB C 26 43.023 43.023 44.002 -0.979 25703 7480 1 14 . 1 1 26 26 TYR H H 26 8.869 8.869 9.144 -0.275 25703 7481 1 14 . 1 1 27 27 ALA N N 27 117.474 117.474 120.335 -2.861 25703 7482 1 14 . 1 1 27 27 ALA HA H 27 4.329 4.329 4.253 0.076 25703 7483 1 14 . 1 1 27 27 ALA C C 27 178.755 178.755 175.616 3.139 25703 7484 1 14 . 1 1 27 27 ALA CA C 27 50.966 50.966 51.932 -0.966 25703 7485 1 14 . 1 1 27 27 ALA CB C 27 22.735 22.735 20.152 2.583 25703 7486 1 14 . 1 1 27 27 ALA H H 27 6.235 6.235 8.157 -1.922 25703 7487 1 14 . 1 1 28 28 THR N N 28 119.624 119.624 110.302 9.322 25703 7488 1 14 . 1 1 28 28 THR HA H 28 3.907 3.907 4.199 -0.292 25703 7489 1 14 . 1 1 28 28 THR C C 28 174.360 174.360 174.129 0.231 25703 7490 1 14 . 1 1 28 28 THR CA C 28 65.865 65.865 63.419 2.446 25703 7491 1 14 . 1 1 28 28 THR CB C 28 69.336 69.336 68.768 0.568 25703 7492 1 14 . 1 1 28 28 THR H H 28 10.381 10.381 7.983 2.398 25703 7493 1 14 . 1 1 29 29 TRP N N 29 115.983 115.983 121.207 -5.224 25703 7494 1 14 . 1 1 29 29 TRP HA H 29 4.590 4.590 4.974 -0.384 25703 7495 1 14 . 1 1 29 29 TRP CA C 29 53.924 53.924 53.616 0.308 25703 7496 1 14 . 1 1 29 29 TRP CB C 29 29.460 29.460 28.043 1.417 25703 7497 1 14 . 1 1 29 29 TRP H H 29 6.472 6.472 6.642 -0.170 25703 7498 1 14 . 1 1 30 30 CYS HA H 30 3.857 3.857 4.890 -1.033 25703 7499 1 14 . 1 1 30 30 CYS CA C 30 58.536 58.536 57.866 0.670 25703 7500 1 14 . 1 1 30 30 CYS CB C 30 37.005 37.005 29.910 7.095 25703 7501 1 14 . 1 1 31 31 GLY CA C 31 48.989 48.989 47.671 1.318 25703 7502 1 14 . 1 1 32 32 PRO HA H 32 4.398 4.398 4.300 0.098 25703 7503 1 14 . 1 1 32 32 PRO C C 32 177.189 177.189 178.316 -1.127 25703 7504 1 14 . 1 1 32 32 PRO CA C 32 65.366 65.366 64.828 0.538 25703 7505 1 14 . 1 1 32 32 PRO CB C 32 32.289 32.289 31.243 1.046 25703 7506 1 14 . 1 1 33 33 CYS N N 33 111.468 111.468 114.201 -2.733 25703 7507 1 14 . 1 1 33 33 CYS HA H 33 4.223 4.223 3.713 0.510 25703 7508 1 14 . 1 1 33 33 CYS CA C 33 65.801 65.801 62.829 2.972 25703 7509 1 14 . 1 1 33 33 CYS CB C 33 34.949 34.949 25.780 9.169 25703 7510 1 14 . 1 1 33 33 CYS H H 33 7.991 7.991 8.550 -0.559 25703 7511 1 14 . 1 1 34 34 LYS HA H 34 3.968 3.968 3.979 -0.011 25703 7512 1 14 . 1 1 34 34 LYS C C 34 178.052 178.052 178.270 -0.218 25703 7513 1 14 . 1 1 34 34 LYS CA C 34 59.661 59.661 59.323 0.338 25703 7514 1 14 . 1 1 34 34 LYS CB C 34 32.513 32.513 32.301 0.212 25703 7515 1 14 . 1 1 35 35 MET N N 35 117.236 117.236 115.546 1.690 25703 7516 1 14 . 1 1 35 35 MET HA H 35 4.194 4.194 4.247 -0.053 25703 7517 1 14 . 1 1 35 35 MET C C 35 177.451 177.451 178.478 -1.027 25703 7518 1 14 . 1 1 35 35 MET CA C 35 57.938 57.938 58.327 -0.389 25703 7519 1 14 . 1 1 35 35 MET CB C 35 32.628 32.628 32.961 -0.333 25703 7520 1 14 . 1 1 35 35 MET H H 35 7.326 7.326 7.561 -0.235 25703 7521 1 14 . 1 1 36 36 ILE N N 36 113.758 113.758 119.744 -5.986 25703 7522 1 14 . 1 1 36 36 ILE HA H 36 4.345 4.345 3.888 0.457 25703 7523 1 14 . 1 1 36 36 ILE C C 36 176.183 176.183 176.795 -0.612 25703 7524 1 14 . 1 1 36 36 ILE CA C 36 60.656 60.656 62.602 -1.946 25703 7525 1 14 . 1 1 36 36 ILE CB C 36 39.657 39.657 37.507 2.150 25703 7526 1 14 . 1 1 36 36 ILE H H 36 7.315 7.315 7.784 -0.469 25703 7527 1 14 . 1 1 37 37 ALA N N 37 126.738 126.738 124.883 1.855 25703 7528 1 14 . 1 1 37 37 ALA HA H 37 4.095 4.095 4.357 -0.262 25703 7529 1 14 . 1 1 37 37 ALA CA C 37 57.562 57.562 56.363 1.199 25703 7530 1 14 . 1 1 37 37 ALA CB C 37 15.912 15.912 16.556 -0.644 25703 7531 1 14 . 1 1 37 37 ALA H H 37 7.447 7.447 7.930 -0.483 25703 7532 1 14 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.202 0.068 25703 7533 1 14 . 1 1 38 38 PRO C C 38 178.922 178.922 178.249 0.673 25703 7534 1 14 . 1 1 38 38 PRO CA C 38 65.743 65.743 65.225 0.518 25703 7535 1 14 . 1 1 38 38 PRO CB C 38 31.224 31.224 31.454 -0.230 25703 7536 1 14 . 1 1 39 39 MET N N 39 118.310 118.310 117.508 0.802 25703 7537 1 14 . 1 1 39 39 MET HA H 39 3.859 3.859 3.871 -0.012 25703 7538 1 14 . 1 1 39 39 MET C C 39 174.441 174.441 177.889 -3.448 25703 7539 1 14 . 1 1 39 39 MET CA C 39 58.390 58.390 57.100 1.290 25703 7540 1 14 . 1 1 39 39 MET CB C 39 31.394 31.394 31.174 0.220 25703 7541 1 14 . 1 1 39 39 MET H H 39 7.063 7.063 7.270 -0.207 25703 7542 1 14 . 1 1 40 40 ILE N N 40 119.013 119.013 118.652 0.361 25703 7543 1 14 . 1 1 40 40 ILE HA H 40 3.595 3.595 3.481 0.114 25703 7544 1 14 . 1 1 40 40 ILE C C 40 177.267 177.267 178.062 -0.795 25703 7545 1 14 . 1 1 40 40 ILE CA C 40 64.393 64.393 64.604 -0.211 25703 7546 1 14 . 1 1 40 40 ILE CB C 40 36.259 36.259 37.424 -1.165 25703 7547 1 14 . 1 1 40 40 ILE H H 40 7.752 7.752 8.610 -0.858 25703 7548 1 14 . 1 1 41 41 GLU N N 41 119.530 119.530 121.425 -1.895 25703 7549 1 14 . 1 1 41 41 GLU HA H 41 3.572 3.572 3.799 -0.227 25703 7550 1 14 . 1 1 41 41 GLU C C 41 179.597 179.597 178.816 0.781 25703 7551 1 14 . 1 1 41 41 GLU CA C 41 59.878 59.878 59.530 0.348 25703 7552 1 14 . 1 1 41 41 GLU CB C 41 29.900 29.900 29.379 0.521 25703 7553 1 14 . 1 1 41 41 GLU H H 41 7.442 7.442 7.706 -0.264 25703 7554 1 14 . 1 1 42 42 LYS N N 42 122.053 122.053 120.936 1.117 25703 7555 1 14 . 1 1 42 42 LYS HA H 42 3.932 3.932 4.039 -0.107 25703 7556 1 14 . 1 1 42 42 LYS C C 42 179.390 179.390 179.275 0.115 25703 7557 1 14 . 1 1 42 42 LYS CA C 42 59.532 59.532 58.484 1.048 25703 7558 1 14 . 1 1 42 42 LYS CB C 42 31.281 31.281 31.670 -0.389 25703 7559 1 14 . 1 1 42 42 LYS H H 42 7.428 7.428 7.721 -0.293 25703 7560 1 14 . 1 1 43 43 PHE N N 43 120.250 120.250 118.610 1.640 25703 7561 1 14 . 1 1 43 43 PHE HA H 43 4.639 4.639 4.147 0.492 25703 7562 1 14 . 1 1 43 43 PHE C C 43 177.337 177.337 176.098 1.239 25703 7563 1 14 . 1 1 43 43 PHE CA C 43 59.331 59.331 58.236 1.095 25703 7564 1 14 . 1 1 43 43 PHE CB C 43 37.737 37.737 37.741 -0.004 25703 7565 1 14 . 1 1 43 43 PHE H H 43 8.337 8.337 8.293 0.044 25703 7566 1 14 . 1 1 44 44 SER N N 44 117.203 117.203 111.401 5.802 25703 7567 1 14 . 1 1 44 44 SER HA H 44 2.967 2.967 2.941 0.026 25703 7568 1 14 . 1 1 44 44 SER C C 44 174.934 174.934 175.282 -0.348 25703 7569 1 14 . 1 1 44 44 SER CA C 44 61.159 61.159 59.490 1.669 25703 7570 1 14 . 1 1 44 44 SER CB C 44 62.353 62.353 62.038 0.315 25703 7571 1 14 . 1 1 44 44 SER H H 44 7.754 7.754 7.523 0.231 25703 7572 1 14 . 1 1 45 45 GLU N N 45 121.664 121.664 119.765 1.899 25703 7573 1 14 . 1 1 45 45 GLU HA H 45 4.049 4.049 4.090 -0.041 25703 7574 1 14 . 1 1 45 45 GLU C C 45 177.360 177.360 176.393 0.967 25703 7575 1 14 . 1 1 45 45 GLU CA C 45 57.739 57.739 57.070 0.669 25703 7576 1 14 . 1 1 45 45 GLU CB C 45 30.191 30.191 29.659 0.532 25703 7577 1 14 . 1 1 45 45 GLU H H 45 6.884 6.884 7.642 -0.758 25703 7578 1 14 . 1 1 46 46 GLN N N 46 118.766 118.766 116.027 2.739 25703 7579 1 14 . 1 1 46 46 GLN HA H 46 3.948 3.948 4.382 -0.434 25703 7580 1 14 . 1 1 46 46 GLN C C 46 177.431 177.431 175.334 2.097 25703 7581 1 14 . 1 1 46 46 GLN CA C 46 58.372 58.372 54.735 3.637 25703 7582 1 14 . 1 1 46 46 GLN CB C 46 30.160 30.160 29.073 1.087 25703 7583 1 14 . 1 1 46 46 GLN H H 46 7.551 7.551 6.781 0.770 25703 7584 1 14 . 1 1 47 47 TYR N N 47 117.012 117.012 120.665 -3.653 25703 7585 1 14 . 1 1 47 47 TYR HA H 47 4.971 4.971 4.724 0.247 25703 7586 1 14 . 1 1 47 47 TYR CA C 47 56.523 56.523 54.353 2.170 25703 7587 1 14 . 1 1 47 47 TYR CB C 47 38.479 38.479 37.680 0.799 25703 7588 1 14 . 1 1 47 47 TYR H H 47 7.426 7.426 7.196 0.230 25703 7589 1 14 . 1 1 48 48 PRO HA H 48 4.388 4.388 4.381 0.007 25703 7590 1 14 . 1 1 48 48 PRO C C 48 176.927 176.927 177.484 -0.557 25703 7591 1 14 . 1 1 48 48 PRO CA C 48 65.425 65.425 64.265 1.160 25703 7592 1 14 . 1 1 48 48 PRO CB C 48 32.619 32.619 32.293 0.326 25703 7593 1 14 . 1 1 49 49 GLN N N 49 120.194 120.194 117.944 2.250 25703 7594 1 14 . 1 1 49 49 GLN HA H 49 4.369 4.369 4.340 0.029 25703 7595 1 14 . 1 1 49 49 GLN C C 49 174.438 174.438 174.849 -0.411 25703 7596 1 14 . 1 1 49 49 GLN CA C 49 56.832 56.832 56.116 0.716 25703 7597 1 14 . 1 1 49 49 GLN CB C 49 28.164 28.164 28.799 -0.635 25703 7598 1 14 . 1 1 49 49 GLN H H 49 9.624 9.624 8.664 0.960 25703 7599 1 14 . 1 1 50 50 ALA N N 50 128.180 128.180 120.606 7.574 25703 7600 1 14 . 1 1 50 50 ALA HA H 50 5.048 5.048 4.700 0.348 25703 7601 1 14 . 1 1 50 50 ALA C C 50 174.685 174.685 176.409 -1.724 25703 7602 1 14 . 1 1 50 50 ALA CA C 50 50.518 50.518 50.422 0.096 25703 7603 1 14 . 1 1 50 50 ALA CB C 50 22.754 22.754 20.873 1.881 25703 7604 1 14 . 1 1 50 50 ALA H H 50 8.179 8.179 7.734 0.445 25703 7605 1 14 . 1 1 51 51 ASP N N 51 121.032 121.032 121.618 -0.586 25703 7606 1 14 . 1 1 51 51 ASP HA H 51 5.102 5.102 4.708 0.394 25703 7607 1 14 . 1 1 51 51 ASP C C 51 174.171 174.171 174.477 -0.306 25703 7608 1 14 . 1 1 51 51 ASP CA C 51 53.515 53.515 53.542 -0.027 25703 7609 1 14 . 1 1 51 51 ASP CB C 51 44.782 44.782 43.750 1.032 25703 7610 1 14 . 1 1 51 51 ASP H H 51 8.435 8.435 8.526 -0.091 25703 7611 1 14 . 1 1 52 52 PHE N N 52 121.696 121.696 119.169 2.527 25703 7612 1 14 . 1 1 52 52 PHE HA H 52 5.172 5.172 5.349 -0.177 25703 7613 1 14 . 1 1 52 52 PHE C C 52 174.110 174.110 173.528 0.582 25703 7614 1 14 . 1 1 52 52 PHE CA C 52 57.189 57.189 55.078 2.111 25703 7615 1 14 . 1 1 52 52 PHE CB C 52 42.291 42.291 39.867 2.424 25703 7616 1 14 . 1 1 52 52 PHE H H 52 8.983 8.983 7.355 1.628 25703 7617 1 14 . 1 1 53 53 TYR N N 53 122.042 122.042 121.054 0.988 25703 7618 1 14 . 1 1 53 53 TYR HA H 53 5.495 5.495 5.250 0.245 25703 7619 1 14 . 1 1 53 53 TYR C C 53 174.002 174.002 175.319 -1.317 25703 7620 1 14 . 1 1 53 53 TYR CA C 53 56.214 56.214 56.014 0.200 25703 7621 1 14 . 1 1 53 53 TYR CB C 53 46.407 46.407 42.605 3.802 25703 7622 1 14 . 1 1 53 53 TYR H H 53 9.362 9.362 9.111 0.251 25703 7623 1 14 . 1 1 54 54 LYS N N 54 116.808 116.808 120.091 -3.283 25703 7624 1 14 . 1 1 54 54 LYS HA H 54 5.505 5.505 4.815 0.690 25703 7625 1 14 . 1 1 54 54 LYS C C 54 172.792 172.792 174.723 -1.931 25703 7626 1 14 . 1 1 54 54 LYS CA C 54 53.943 53.943 55.690 -1.747 25703 7627 1 14 . 1 1 54 54 LYS CB C 54 36.950 36.950 36.213 0.737 25703 7628 1 14 . 1 1 54 54 LYS H H 54 8.463 8.463 8.973 -0.510 25703 7629 1 14 . 1 1 55 55 LEU N N 55 123.826 123.826 125.360 -1.534 25703 7630 1 14 . 1 1 55 55 LEU HA H 55 4.472 4.472 4.578 -0.106 25703 7631 1 14 . 1 1 55 55 LEU C C 55 171.652 171.652 175.752 -4.100 25703 7632 1 14 . 1 1 55 55 LEU CA C 55 55.906 55.906 53.439 2.467 25703 7633 1 14 . 1 1 55 55 LEU CB C 55 46.528 46.528 43.314 3.214 25703 7634 1 14 . 1 1 55 55 LEU H H 55 8.688 8.688 8.880 -0.192 25703 7635 1 14 . 1 1 56 56 ASP N N 56 127.169 127.169 122.626 4.543 25703 7636 1 14 . 1 1 56 56 ASP HA H 56 4.130 4.130 4.566 -0.436 25703 7637 1 14 . 1 1 56 56 ASP C C 56 177.692 177.692 176.311 1.381 25703 7638 1 14 . 1 1 56 56 ASP CA C 56 54.074 54.074 53.887 0.187 25703 7639 1 14 . 1 1 56 56 ASP CB C 56 41.388 41.388 41.714 -0.326 25703 7640 1 14 . 1 1 56 56 ASP H H 56 8.595 8.595 8.770 -0.175 25703 7641 1 14 . 1 1 57 57 VAL N N 57 123.562 123.562 124.399 -0.837 25703 7642 1 14 . 1 1 57 57 VAL HA H 57 3.491 3.491 3.988 -0.497 25703 7643 1 14 . 1 1 57 57 VAL C C 57 175.413 175.413 176.234 -0.821 25703 7644 1 14 . 1 1 57 57 VAL CA C 57 65.095 65.095 65.056 0.039 25703 7645 1 14 . 1 1 57 57 VAL CB C 57 31.658 31.658 32.175 -0.517 25703 7646 1 14 . 1 1 57 57 VAL H H 57 8.712 8.712 8.670 0.042 25703 7647 1 14 . 1 1 58 58 ASP N N 58 120.070 120.070 118.747 1.323 25703 7648 1 14 . 1 1 58 58 ASP HA H 58 4.827 4.827 4.543 0.284 25703 7649 1 14 . 1 1 58 58 ASP C C 58 177.131 177.131 178.494 -1.363 25703 7650 1 14 . 1 1 58 58 ASP CA C 58 57.693 57.693 57.154 0.539 25703 7651 1 14 . 1 1 58 58 ASP CB C 58 40.827 40.827 41.059 -0.232 25703 7652 1 14 . 1 1 58 58 ASP H H 58 8.670 8.670 8.336 0.334 25703 7653 1 14 . 1 1 59 59 GLU N N 59 120.889 120.889 118.539 2.350 25703 7654 1 14 . 1 1 59 59 GLU HA H 59 4.358 4.358 4.340 0.018 25703 7655 1 14 . 1 1 59 59 GLU C C 59 176.606 176.606 178.270 -1.664 25703 7656 1 14 . 1 1 59 59 GLU CA C 59 57.881 57.881 57.650 0.231 25703 7657 1 14 . 1 1 59 59 GLU CB C 59 32.138 32.138 30.562 1.576 25703 7658 1 14 . 1 1 59 59 GLU H H 59 7.616 7.616 8.671 -1.055 25703 7659 1 14 . 1 1 60 60 LEU N N 60 122.457 122.457 120.575 1.882 25703 7660 1 14 . 1 1 60 60 LEU HA H 60 4.916 4.916 4.710 0.206 25703 7661 1 14 . 1 1 60 60 LEU C C 60 176.538 176.538 176.992 -0.454 25703 7662 1 14 . 1 1 60 60 LEU CA C 60 52.864 52.864 52.857 0.007 25703 7663 1 14 . 1 1 60 60 LEU CB C 60 42.270 42.270 38.874 3.396 25703 7664 1 14 . 1 1 60 60 LEU H H 60 7.690 7.690 8.545 -0.855 25703 7665 1 14 . 1 1 61 61 GLY N N 61 112.065 112.065 109.429 2.636 25703 7666 1 14 . 1 1 61 61 GLY C C 61 175.917 175.917 175.464 0.453 25703 7667 1 14 . 1 1 61 61 GLY CA C 61 48.760 48.760 47.037 1.723 25703 7668 1 14 . 1 1 61 61 GLY H H 61 8.267 8.267 7.707 0.560 25703 7669 1 14 . 1 1 62 62 ASP N N 62 120.904 120.904 120.684 0.220 25703 7670 1 14 . 1 1 62 62 ASP HA H 62 4.302 4.302 4.409 -0.107 25703 7671 1 14 . 1 1 62 62 ASP C C 62 178.355 178.355 177.996 0.359 25703 7672 1 14 . 1 1 62 62 ASP CA C 62 57.045 57.045 57.109 -0.064 25703 7673 1 14 . 1 1 62 62 ASP CB C 62 39.646 39.646 40.622 -0.976 25703 7674 1 14 . 1 1 62 62 ASP H H 62 9.155 9.155 8.210 0.945 25703 7675 1 14 . 1 1 63 63 VAL N N 63 121.465 121.465 119.260 2.205 25703 7676 1 14 . 1 1 63 63 VAL HA H 63 3.310 3.310 3.790 -0.480 25703 7677 1 14 . 1 1 63 63 VAL C C 63 178.724 178.724 177.050 1.674 25703 7678 1 14 . 1 1 63 63 VAL CA C 63 65.878 65.878 65.359 0.519 25703 7679 1 14 . 1 1 63 63 VAL CB C 63 31.718 31.718 31.772 -0.054 25703 7680 1 14 . 1 1 63 63 VAL H H 63 7.263 7.263 7.876 -0.613 25703 7681 1 14 . 1 1 64 64 ALA N N 64 123.341 123.341 121.560 1.781 25703 7682 1 14 . 1 1 64 64 ALA HA H 64 3.774 3.774 3.314 0.460 25703 7683 1 14 . 1 1 64 64 ALA C C 64 177.984 177.984 179.474 -1.490 25703 7684 1 14 . 1 1 64 64 ALA CA C 64 56.326 56.326 55.123 1.203 25703 7685 1 14 . 1 1 64 64 ALA CB C 64 18.296 18.296 18.002 0.294 25703 7686 1 14 . 1 1 64 64 ALA H H 64 7.248 7.248 7.728 -0.480 25703 7687 1 14 . 1 1 65 65 GLN N N 65 118.749 118.749 116.945 1.804 25703 7688 1 14 . 1 1 65 65 GLN HA H 65 4.013 4.013 4.086 -0.073 25703 7689 1 14 . 1 1 65 65 GLN CA C 65 59.524 59.524 58.109 1.415 25703 7690 1 14 . 1 1 65 65 GLN CB C 65 28.802 28.802 28.337 0.465 25703 7691 1 14 . 1 1 65 65 GLN H H 65 8.276 8.276 7.848 0.428 25703 7692 1 14 . 1 1 66 66 LYS N N 66 120.950 120.950 120.390 0.560 25703 7693 1 14 . 1 1 66 66 LYS HA H 66 4.033 4.033 4.121 -0.088 25703 7694 1 14 . 1 1 66 66 LYS C C 66 176.439 176.439 178.041 -1.602 25703 7695 1 14 . 1 1 66 66 LYS CA C 66 59.276 59.276 59.033 0.243 25703 7696 1 14 . 1 1 66 66 LYS CB C 66 32.706 32.706 32.269 0.437 25703 7697 1 14 . 1 1 66 66 LYS H H 66 7.984 7.984 8.396 -0.412 25703 7698 1 14 . 1 1 67 67 ASN N N 67 115.512 115.512 115.052 0.460 25703 7699 1 14 . 1 1 67 67 ASN HA H 67 4.698 4.698 4.978 -0.280 25703 7700 1 14 . 1 1 67 67 ASN C C 67 171.075 171.075 173.722 -2.647 25703 7701 1 14 . 1 1 67 67 ASN CA C 67 54.555 54.555 53.244 1.311 25703 7702 1 14 . 1 1 67 67 ASN CB C 67 40.572 40.572 38.800 1.772 25703 7703 1 14 . 1 1 67 67 ASN H H 67 7.052 7.052 7.635 -0.583 25703 7704 1 14 . 1 1 68 68 GLU N N 68 115.540 115.540 115.498 0.042 25703 7705 1 14 . 1 1 68 68 GLU HA H 68 3.724 3.724 3.898 -0.174 25703 7706 1 14 . 1 1 68 68 GLU C C 68 175.135 175.135 175.015 0.120 25703 7707 1 14 . 1 1 68 68 GLU CA C 68 57.472 57.472 56.991 0.481 25703 7708 1 14 . 1 1 68 68 GLU CB C 68 27.320 27.320 27.474 -0.154 25703 7709 1 14 . 1 1 68 68 GLU H H 68 7.708 7.708 7.721 -0.013 25703 7710 1 14 . 1 1 69 69 VAL N N 69 121.037 121.037 119.169 1.868 25703 7711 1 14 . 1 1 69 69 VAL HA H 69 3.891 3.891 3.895 -0.004 25703 7712 1 14 . 1 1 69 69 VAL C C 69 174.845 174.845 175.780 -0.935 25703 7713 1 14 . 1 1 69 69 VAL CA C 69 63.315 63.315 62.814 0.501 25703 7714 1 14 . 1 1 69 69 VAL CB C 69 31.259 31.259 31.032 0.227 25703 7715 1 14 . 1 1 69 69 VAL H H 69 7.786 7.786 8.085 -0.299 25703 7716 1 14 . 1 1 70 70 SER N N 70 123.071 123.071 122.277 0.794 25703 7717 1 14 . 1 1 70 70 SER HA H 70 4.453 4.453 4.465 -0.012 25703 7718 1 14 . 1 1 70 70 SER C C 70 172.450 172.450 174.732 -2.282 25703 7719 1 14 . 1 1 70 70 SER CA C 70 58.194 58.194 58.038 0.157 25703 7720 1 14 . 1 1 70 70 SER CB C 70 65.148 65.148 63.907 1.241 25703 7721 1 14 . 1 1 70 70 SER H H 70 8.556 8.556 8.570 -0.014 25703 7722 1 14 . 1 1 71 71 ALA N N 71 127.000 127.000 124.935 2.065 25703 7723 1 14 . 1 1 71 71 ALA HA H 71 4.554 4.554 4.552 0.002 25703 7724 1 14 . 1 1 71 71 ALA C C 71 175.018 175.018 175.831 -0.813 25703 7725 1 14 . 1 1 71 71 ALA CA C 71 51.898 51.898 52.157 -0.259 25703 7726 1 14 . 1 1 71 71 ALA CB C 71 21.560 21.560 19.613 1.947 25703 7727 1 14 . 1 1 71 71 ALA H H 71 7.884 7.884 7.933 -0.049 25703 7728 1 14 . 1 1 72 72 MET N N 72 120.240 120.240 116.012 4.228 25703 7729 1 14 . 1 1 72 72 MET HA H 72 4.827 4.827 4.904 -0.077 25703 7730 1 14 . 1 1 72 72 MET CA C 72 57.888 57.888 51.884 6.004 25703 7731 1 14 . 1 1 72 72 MET CB C 72 36.102 36.102 33.428 2.674 25703 7732 1 14 . 1 1 72 72 MET H H 72 8.664 8.664 8.154 0.510 25703 7733 1 14 . 1 1 73 73 PRO HA H 73 4.988 4.988 4.993 -0.005 25703 7734 1 14 . 1 1 73 73 PRO C C 73 175.162 175.162 176.361 -1.199 25703 7735 1 14 . 1 1 73 73 PRO CA C 73 64.042 64.042 62.527 1.515 25703 7736 1 14 . 1 1 73 73 PRO CB C 73 35.151 35.151 33.111 2.040 25703 7737 1 14 . 1 1 74 74 THR N N 74 114.942 114.942 116.332 -1.390 25703 7738 1 14 . 1 1 74 74 THR HA H 74 4.995 4.995 4.714 0.281 25703 7739 1 14 . 1 1 74 74 THR C C 74 170.891 170.891 173.501 -2.610 25703 7740 1 14 . 1 1 74 74 THR CA C 74 63.926 63.926 62.548 1.378 25703 7741 1 14 . 1 1 74 74 THR CB C 74 73.856 73.856 70.864 2.992 25703 7742 1 14 . 1 1 74 74 THR H H 74 7.490 7.490 8.372 -0.882 25703 7743 1 14 . 1 1 75 75 LEU N N 75 132.149 132.149 129.239 2.910 25703 7744 1 14 . 1 1 75 75 LEU HA H 75 5.493 5.493 4.980 0.513 25703 7745 1 14 . 1 1 75 75 LEU C C 75 174.331 174.331 174.843 -0.512 25703 7746 1 14 . 1 1 75 75 LEU CA C 75 53.852 53.852 54.179 -0.327 25703 7747 1 14 . 1 1 75 75 LEU CB C 75 45.160 45.160 42.250 2.910 25703 7748 1 14 . 1 1 75 75 LEU H H 75 9.427 9.427 8.935 0.492 25703 7749 1 14 . 1 1 76 76 LEU N N 76 124.814 124.814 125.675 -0.861 25703 7750 1 14 . 1 1 76 76 LEU HA H 76 4.932 4.932 4.933 -0.001 25703 7751 1 14 . 1 1 76 76 LEU C C 76 173.732 173.732 175.773 -2.041 25703 7752 1 14 . 1 1 76 76 LEU CA C 76 54.032 54.032 53.810 0.222 25703 7753 1 14 . 1 1 76 76 LEU CB C 76 46.726 46.726 43.596 3.130 25703 7754 1 14 . 1 1 76 76 LEU H H 76 9.240 9.240 8.709 0.531 25703 7755 1 14 . 1 1 77 77 LEU N N 77 123.770 123.770 120.588 3.182 25703 7756 1 14 . 1 1 77 77 LEU HA H 77 5.251 5.251 5.337 -0.086 25703 7757 1 14 . 1 1 77 77 LEU C C 77 174.442 174.442 176.142 -1.700 25703 7758 1 14 . 1 1 77 77 LEU CA C 77 55.087 55.087 53.676 1.411 25703 7759 1 14 . 1 1 77 77 LEU CB C 77 43.250 43.250 42.415 0.835 25703 7760 1 14 . 1 1 77 77 LEU H H 77 8.175 8.175 8.010 0.165 25703 7761 1 14 . 1 1 78 78 PHE N N 78 122.975 122.975 122.872 0.103 25703 7762 1 14 . 1 1 78 78 PHE HA H 78 5.397 5.397 4.854 0.543 25703 7763 1 14 . 1 1 78 78 PHE C C 78 173.920 173.920 174.858 -0.938 25703 7764 1 14 . 1 1 78 78 PHE CA C 78 56.867 56.867 57.328 -0.461 25703 7765 1 14 . 1 1 78 78 PHE CB C 78 44.858 44.858 43.209 1.649 25703 7766 1 14 . 1 1 78 78 PHE H H 78 9.742 9.742 9.394 0.348 25703 7767 1 14 . 1 1 79 79 LYS N N 79 118.164 118.164 121.149 -2.985 25703 7768 1 14 . 1 1 79 79 LYS HA H 79 4.817 4.817 5.170 -0.353 25703 7769 1 14 . 1 1 79 79 LYS C C 79 177.194 177.194 176.145 1.049 25703 7770 1 14 . 1 1 79 79 LYS CA C 79 57.980 57.980 54.492 3.488 25703 7771 1 14 . 1 1 79 79 LYS CB C 79 37.031 37.031 34.230 2.801 25703 7772 1 14 . 1 1 79 79 LYS H H 79 8.745 8.745 8.552 0.193 25703 7773 1 14 . 1 1 80 80 ASN N N 80 126.660 126.660 125.190 1.470 25703 7774 1 14 . 1 1 80 80 ASN HA H 80 4.291 4.291 4.275 0.016 25703 7775 1 14 . 1 1 80 80 ASN C C 80 174.868 174.868 175.862 -0.994 25703 7776 1 14 . 1 1 80 80 ASN CA C 80 54.925 54.925 54.053 0.872 25703 7777 1 14 . 1 1 80 80 ASN CB C 80 38.055 38.055 36.542 1.513 25703 7778 1 14 . 1 1 80 80 ASN H H 80 8.893 8.893 9.357 -0.464 25703 7779 1 14 . 1 1 81 81 GLY N N 81 103.991 103.991 105.956 -1.965 25703 7780 1 14 . 1 1 81 81 GLY C C 81 172.724 172.724 174.498 -1.774 25703 7781 1 14 . 1 1 81 81 GLY CA C 81 46.145 46.145 45.919 0.226 25703 7782 1 14 . 1 1 81 81 GLY H H 81 8.639 8.639 8.839 -0.200 25703 7783 1 14 . 1 1 82 82 LYS N N 82 120.266 120.266 118.594 1.672 25703 7784 1 14 . 1 1 82 82 LYS HA H 82 4.937 4.937 4.480 0.457 25703 7785 1 14 . 1 1 82 82 LYS C C 82 174.364 174.364 175.616 -1.252 25703 7786 1 14 . 1 1 82 82 LYS CA C 82 55.602 55.602 55.158 0.444 25703 7787 1 14 . 1 1 82 82 LYS CB C 82 35.830 35.830 33.539 2.291 25703 7788 1 14 . 1 1 82 82 LYS H H 82 7.576 7.576 8.373 -0.797 25703 7789 1 14 . 1 1 83 83 GLU N N 83 126.445 126.445 116.998 9.447 25703 7790 1 14 . 1 1 83 83 GLU HA H 83 3.867 3.867 3.784 0.083 25703 7791 1 14 . 1 1 83 83 GLU C C 83 176.728 176.728 174.451 2.277 25703 7792 1 14 . 1 1 83 83 GLU CA C 83 57.345 57.345 57.512 -0.167 25703 7793 1 14 . 1 1 83 83 GLU CB C 83 30.927 30.927 29.678 1.249 25703 7794 1 14 . 1 1 83 83 GLU H H 83 8.819 8.819 7.953 0.866 25703 7795 1 14 . 1 1 84 84 VAL N N 84 123.147 123.147 118.651 4.496 25703 7796 1 14 . 1 1 84 84 VAL HA H 84 4.417 4.417 4.147 0.270 25703 7797 1 14 . 1 1 84 84 VAL C C 84 175.128 175.128 173.783 1.345 25703 7798 1 14 . 1 1 84 84 VAL CA C 84 61.453 61.453 62.037 -0.584 25703 7799 1 14 . 1 1 84 84 VAL CB C 84 33.692 33.692 33.943 -0.251 25703 7800 1 14 . 1 1 84 84 VAL H H 84 9.258 9.258 8.392 0.866 25703 7801 1 14 . 1 1 85 85 ALA N N 85 122.281 122.281 121.318 0.963 25703 7802 1 14 . 1 1 85 85 ALA HA H 85 4.414 4.414 4.603 -0.189 25703 7803 1 14 . 1 1 85 85 ALA C C 85 173.291 173.291 174.063 -0.772 25703 7804 1 14 . 1 1 85 85 ALA CA C 85 53.133 53.133 51.637 1.496 25703 7805 1 14 . 1 1 85 85 ALA CB C 85 22.544 22.544 21.530 1.014 25703 7806 1 14 . 1 1 85 85 ALA H H 85 7.573 7.573 7.742 -0.169 25703 7807 1 14 . 1 1 86 86 LYS N N 86 120.704 120.704 121.958 -1.254 25703 7808 1 14 . 1 1 86 86 LYS HA H 86 4.933 4.933 4.548 0.385 25703 7809 1 14 . 1 1 86 86 LYS C C 86 174.506 174.506 174.689 -0.183 25703 7810 1 14 . 1 1 86 86 LYS CA C 86 55.860 55.860 55.725 0.135 25703 7811 1 14 . 1 1 86 86 LYS CB C 86 35.979 35.979 34.757 1.222 25703 7812 1 14 . 1 1 86 86 LYS H H 86 8.014 8.014 8.335 -0.321 25703 7813 1 14 . 1 1 87 87 VAL N N 87 126.817 126.817 125.924 0.893 25703 7814 1 14 . 1 1 87 87 VAL HA H 87 4.276 4.276 4.464 -0.188 25703 7815 1 14 . 1 1 87 87 VAL C C 87 174.002 174.002 173.477 0.525 25703 7816 1 14 . 1 1 87 87 VAL CA C 87 62.070 62.070 61.295 0.775 25703 7817 1 14 . 1 1 87 87 VAL CB C 87 34.958 34.958 36.007 -1.049 25703 7818 1 14 . 1 1 87 87 VAL H H 87 9.186 9.186 8.813 0.373 25703 7819 1 14 . 1 1 88 88 VAL N N 88 129.683 129.683 125.645 4.038 25703 7820 1 14 . 1 1 88 88 VAL HA H 88 4.446 4.446 4.485 -0.039 25703 7821 1 14 . 1 1 88 88 VAL C C 88 175.594 175.594 174.619 0.975 25703 7822 1 14 . 1 1 88 88 VAL CA C 88 62.462 62.462 61.171 1.291 25703 7823 1 14 . 1 1 88 88 VAL CB C 88 33.275 33.275 32.783 0.492 25703 7824 1 14 . 1 1 88 88 VAL H H 88 9.026 9.026 8.405 0.621 25703 7825 1 14 . 1 1 89 89 GLY N N 89 114.918 114.918 116.559 -1.641 25703 7826 1 14 . 1 1 89 89 GLY CA C 89 44.014 44.014 45.741 -1.727 25703 7827 1 14 . 1 1 89 89 GLY H H 89 8.298 8.298 7.923 0.375 25703 7828 1 14 . 1 1 90 90 ALA HA H 90 4.227 4.227 4.028 0.199 25703 7829 1 14 . 1 1 90 90 ALA C C 90 174.279 174.279 176.005 -1.726 25703 7830 1 14 . 1 1 90 90 ALA CA C 90 50.915 50.915 53.260 -2.345 25703 7831 1 14 . 1 1 90 90 ALA CB C 90 18.480 18.480 18.559 -0.079 25703 7832 1 14 . 1 1 91 91 ASN N N 91 121.022 121.022 118.673 2.349 25703 7833 1 14 . 1 1 91 91 ASN HA H 91 5.114 5.114 4.936 0.178 25703 7834 1 14 . 1 1 91 91 ASN CA C 91 50.500 50.500 50.817 -0.317 25703 7835 1 14 . 1 1 91 91 ASN CB C 91 39.514 39.514 38.606 0.908 25703 7836 1 14 . 1 1 91 91 ASN H H 91 7.360 7.360 8.285 -0.925 25703 7837 1 14 . 1 1 92 92 PRO HA H 92 4.116 4.116 4.385 -0.269 25703 7838 1 14 . 1 1 92 92 PRO CA C 92 63.392 63.392 64.845 -1.453 25703 7839 1 14 . 1 1 93 93 ALA HA H 93 4.074 4.074 4.435 -0.361 25703 7840 1 14 . 1 1 93 93 ALA C C 93 179.673 179.673 179.130 0.543 25703 7841 1 14 . 1 1 93 93 ALA CA C 93 55.353 55.353 53.829 1.524 25703 7842 1 14 . 1 1 93 93 ALA CB C 93 18.455 18.455 18.381 0.074 25703 7843 1 14 . 1 1 94 94 ALA N N 94 121.514 121.514 120.788 0.726 25703 7844 1 14 . 1 1 94 94 ALA HA H 94 4.064 4.064 4.197 -0.133 25703 7845 1 14 . 1 1 94 94 ALA C C 94 180.373 180.373 179.138 1.235 25703 7846 1 14 . 1 1 94 94 ALA CA C 94 55.418 55.418 54.031 1.387 25703 7847 1 14 . 1 1 94 94 ALA CB C 94 19.268 19.268 18.297 0.971 25703 7848 1 14 . 1 1 94 94 ALA H H 94 7.228 7.228 8.046 -0.818 25703 7849 1 14 . 1 1 95 95 ILE N N 95 120.330 120.330 119.846 0.484 25703 7850 1 14 . 1 1 95 95 ILE HA H 95 3.358 3.358 3.800 -0.442 25703 7851 1 14 . 1 1 95 95 ILE C C 95 175.639 175.639 177.008 -1.369 25703 7852 1 14 . 1 1 95 95 ILE CA C 95 66.564 66.564 62.795 3.769 25703 7853 1 14 . 1 1 95 95 ILE CB C 95 38.854 38.854 38.081 0.773 25703 7854 1 14 . 1 1 95 95 ILE H H 95 7.738 7.738 7.673 0.065 25703 7855 1 14 . 1 1 96 96 LYS N N 96 119.846 119.846 119.300 0.546 25703 7856 1 14 . 1 1 96 96 LYS HA H 96 3.144 3.144 3.971 -0.827 25703 7857 1 14 . 1 1 96 96 LYS C C 96 177.288 177.288 179.101 -1.813 25703 7858 1 14 . 1 1 96 96 LYS CA C 96 60.420 60.420 59.184 1.236 25703 7859 1 14 . 1 1 96 96 LYS CB C 96 32.612 32.612 31.399 1.213 25703 7860 1 14 . 1 1 96 96 LYS H H 96 8.087 8.087 7.827 0.260 25703 7861 1 14 . 1 1 97 97 GLN N N 97 116.484 116.484 119.344 -2.860 25703 7862 1 14 . 1 1 97 97 GLN HA H 97 3.848 3.848 4.053 -0.205 25703 7863 1 14 . 1 1 97 97 GLN C C 97 177.461 177.461 178.170 -0.709 25703 7864 1 14 . 1 1 97 97 GLN CA C 97 59.069 59.069 59.040 0.029 25703 7865 1 14 . 1 1 97 97 GLN CB C 97 28.799 28.799 28.382 0.417 25703 7866 1 14 . 1 1 97 97 GLN H H 97 7.700 7.700 7.680 0.020 25703 7867 1 14 . 1 1 98 98 ALA N N 98 121.852 121.852 121.605 0.247 25703 7868 1 14 . 1 1 98 98 ALA HA H 98 3.921 3.921 4.099 -0.178 25703 7869 1 14 . 1 1 98 98 ALA C C 98 174.452 174.452 179.792 -5.340 25703 7870 1 14 . 1 1 98 98 ALA CA C 98 55.207 55.207 54.824 0.383 25703 7871 1 14 . 1 1 98 98 ALA CB C 98 18.356 18.356 18.617 -0.261 25703 7872 1 14 . 1 1 98 98 ALA H H 98 7.456 7.456 7.573 -0.117 25703 7873 1 14 . 1 1 99 99 ILE N N 99 118.810 118.810 118.814 -0.004 25703 7874 1 14 . 1 1 99 99 ILE HA H 99 3.037 3.037 3.766 -0.729 25703 7875 1 14 . 1 1 99 99 ILE C C 99 176.476 176.476 177.338 -0.862 25703 7876 1 14 . 1 1 99 99 ILE CA C 99 65.925 65.925 62.611 3.314 25703 7877 1 14 . 1 1 99 99 ILE CB C 99 38.622 38.622 37.030 1.592 25703 7878 1 14 . 1 1 99 99 ILE H H 99 7.692 7.692 8.631 -0.939 25703 7879 1 14 . 1 1 100 100 ALA N N 100 120.478 120.478 120.433 0.045 25703 7880 1 14 . 1 1 100 100 ALA HA H 100 3.713 3.713 4.252 -0.539 25703 7881 1 14 . 1 1 100 100 ALA C C 100 179.910 179.910 178.667 1.243 25703 7882 1 14 . 1 1 100 100 ALA CA C 100 55.491 55.491 53.585 1.906 25703 7883 1 14 . 1 1 100 100 ALA CB C 100 18.656 18.656 19.282 -0.626 25703 7884 1 14 . 1 1 100 100 ALA H H 100 8.164 8.164 8.058 0.106 25703 7885 1 14 . 1 1 101 101 ALA N N 101 116.616 116.616 120.860 -4.244 25703 7886 1 14 . 1 1 101 101 ALA HA H 101 4.084 4.084 4.088 -0.004 25703 7887 1 14 . 1 1 101 101 ALA C C 101 177.705 177.705 178.972 -1.267 25703 7888 1 14 . 1 1 101 101 ALA CA C 101 54.113 54.113 54.143 -0.030 25703 7889 1 14 . 1 1 101 101 ALA CB C 101 19.576 19.576 19.343 0.233 25703 7890 1 14 . 1 1 101 101 ALA H H 101 7.649 7.649 7.847 -0.198 25703 7891 1 14 . 1 1 102 102 ASN N N 102 114.293 114.293 115.446 -1.153 25703 7892 1 14 . 1 1 102 102 ASN HA H 102 4.753 4.753 4.668 0.085 25703 7893 1 14 . 1 1 102 102 ASN C C 102 172.210 172.210 175.920 -3.710 25703 7894 1 14 . 1 1 102 102 ASN CA C 102 54.809 54.809 54.010 0.799 25703 7895 1 14 . 1 1 102 102 ASN CB C 102 43.388 43.388 39.900 3.488 25703 7896 1 14 . 1 1 102 102 ASN H H 102 7.110 7.110 8.236 -1.126 25703 7897 1 15 . 1 1 2 2 VAL N N 2 125.982 125.982 123.539 2.443 25703 7898 1 15 . 1 1 2 2 VAL HA H 2 4.054 4.054 4.752 -0.698 25703 7899 1 15 . 1 1 2 2 VAL CA C 2 61.397 61.397 60.767 0.629 25703 7900 1 15 . 1 1 2 2 VAL CB C 2 32.844 32.844 33.339 -0.495 25703 7901 1 15 . 1 1 2 2 VAL H H 2 8.576 8.576 8.349 0.227 25703 7902 1 15 . 1 1 3 3 THR N N 3 126.926 126.926 120.757 6.169 25703 7903 1 15 . 1 1 3 3 THR HA H 3 4.120 4.120 4.552 -0.432 25703 7904 1 15 . 1 1 3 3 THR C C 3 172.671 172.671 173.337 -0.666 25703 7905 1 15 . 1 1 3 3 THR CA C 3 64.010 64.010 62.191 1.819 25703 7906 1 15 . 1 1 3 3 THR CB C 3 70.030 70.030 70.220 -0.190 25703 7907 1 15 . 1 1 3 3 THR H H 3 7.787 7.787 8.137 -0.350 25703 7908 1 15 . 1 1 4 4 GLN N N 4 128.743 128.743 123.517 5.226 25703 7909 1 15 . 1 1 4 4 GLN HA H 4 4.726 4.726 4.904 -0.178 25703 7910 1 15 . 1 1 4 4 GLN C C 4 176.254 176.254 175.092 1.162 25703 7911 1 15 . 1 1 4 4 GLN CA C 4 54.925 54.925 54.211 0.715 25703 7912 1 15 . 1 1 4 4 GLN CB C 4 30.039 30.039 29.683 0.356 25703 7913 1 15 . 1 1 4 4 GLN H H 4 8.976 8.976 8.337 0.639 25703 7914 1 15 . 1 1 5 5 PHE N N 5 127.295 127.295 124.318 2.977 25703 7915 1 15 . 1 1 5 5 PHE HA H 5 4.793 4.793 4.663 0.130 25703 7916 1 15 . 1 1 5 5 PHE C C 5 175.627 175.627 176.837 -1.210 25703 7917 1 15 . 1 1 5 5 PHE CA C 5 59.080 59.080 56.998 2.082 25703 7918 1 15 . 1 1 5 5 PHE CB C 5 41.083 41.083 40.796 0.287 25703 7919 1 15 . 1 1 5 5 PHE H H 5 8.434 8.434 8.344 0.090 25703 7920 1 15 . 1 1 6 6 LYS N N 6 120.464 120.464 117.592 2.872 25703 7921 1 15 . 1 1 6 6 LYS HA H 6 4.623 4.623 4.494 0.129 25703 7922 1 15 . 1 1 6 6 LYS C C 6 176.504 176.504 176.016 0.488 25703 7923 1 15 . 1 1 6 6 LYS CA C 6 56.526 56.526 56.559 -0.032 25703 7924 1 15 . 1 1 6 6 LYS CB C 6 34.660 34.660 34.407 0.253 25703 7925 1 15 . 1 1 6 6 LYS H H 6 9.821 9.821 9.402 0.419 25703 7926 1 15 . 1 1 7 7 THR N N 7 108.286 108.286 110.306 -2.020 25703 7927 1 15 . 1 1 7 7 THR HA H 7 4.738 4.738 4.660 0.078 25703 7928 1 15 . 1 1 7 7 THR C C 7 173.410 173.410 174.872 -1.462 25703 7929 1 15 . 1 1 7 7 THR CA C 7 59.287 59.287 59.867 -0.581 25703 7930 1 15 . 1 1 7 7 THR CB C 7 73.138 73.138 72.128 1.010 25703 7931 1 15 . 1 1 7 7 THR H H 7 7.467 7.467 7.579 -0.112 25703 7932 1 15 . 1 1 8 8 ALA N N 8 125.007 125.007 127.214 -2.207 25703 7933 1 15 . 1 1 8 8 ALA HA H 8 3.705 3.705 3.962 -0.257 25703 7934 1 15 . 1 1 8 8 ALA C C 8 178.859 178.859 179.604 -0.745 25703 7935 1 15 . 1 1 8 8 ALA CA C 8 55.453 55.453 55.721 -0.268 25703 7936 1 15 . 1 1 8 8 ALA CB C 8 18.689 18.689 18.047 0.641 25703 7937 1 15 . 1 1 8 8 ALA H H 8 9.038 9.038 8.899 0.139 25703 7938 1 15 . 1 1 9 9 SER N N 9 113.408 113.408 113.930 -0.522 25703 7939 1 15 . 1 1 9 9 SER HA H 9 4.124 4.124 4.121 0.003 25703 7940 1 15 . 1 1 9 9 SER C C 9 176.575 176.575 176.455 0.120 25703 7941 1 15 . 1 1 9 9 SER CA C 9 61.528 61.528 61.684 -0.156 25703 7942 1 15 . 1 1 9 9 SER CB C 9 62.703 62.703 62.353 0.350 25703 7943 1 15 . 1 1 9 9 SER H H 9 8.159 8.159 8.640 -0.481 25703 7944 1 15 . 1 1 10 10 GLU N N 10 123.005 123.005 121.058 1.947 25703 7945 1 15 . 1 1 10 10 GLU HA H 10 3.853 3.853 3.940 -0.087 25703 7946 1 15 . 1 1 10 10 GLU C C 10 178.294 178.294 178.181 0.113 25703 7947 1 15 . 1 1 10 10 GLU CA C 10 59.266 59.266 57.810 1.456 25703 7948 1 15 . 1 1 10 10 GLU CB C 10 31.536 31.536 28.674 2.861 25703 7949 1 15 . 1 1 10 10 GLU H H 10 7.552 7.552 7.457 0.095 25703 7950 1 15 . 1 1 11 11 PHE N N 11 121.633 121.633 122.000 -0.367 25703 7951 1 15 . 1 1 11 11 PHE HA H 11 2.864 2.864 3.405 -0.541 25703 7952 1 15 . 1 1 11 11 PHE C C 11 176.786 176.786 176.318 0.468 25703 7953 1 15 . 1 1 11 11 PHE CA C 11 61.182 61.182 61.038 0.144 25703 7954 1 15 . 1 1 11 11 PHE CB C 11 38.202 38.202 39.354 -1.152 25703 7955 1 15 . 1 1 11 11 PHE H H 11 6.632 6.632 7.784 -1.152 25703 7956 1 15 . 1 1 12 12 ASP N N 12 118.991 118.991 119.354 -0.363 25703 7957 1 15 . 1 1 12 12 ASP HA H 12 3.841 3.841 3.790 0.051 25703 7958 1 15 . 1 1 12 12 ASP C C 12 178.286 178.286 178.360 -0.074 25703 7959 1 15 . 1 1 12 12 ASP CA C 12 57.547 57.547 57.944 -0.397 25703 7960 1 15 . 1 1 12 12 ASP CB C 12 40.790 40.790 40.367 0.423 25703 7961 1 15 . 1 1 12 12 ASP H H 12 7.687 7.687 8.656 -0.969 25703 7962 1 15 . 1 1 13 13 SER N N 13 112.966 112.966 114.641 -1.675 25703 7963 1 15 . 1 1 13 13 SER HA H 13 4.022 4.022 4.106 -0.084 25703 7964 1 15 . 1 1 13 13 SER C C 13 175.827 175.827 175.404 0.423 25703 7965 1 15 . 1 1 13 13 SER CA C 13 61.410 61.410 60.766 0.644 25703 7966 1 15 . 1 1 13 13 SER CB C 13 63.499 63.499 63.126 0.373 25703 7967 1 15 . 1 1 13 13 SER H H 13 7.563 7.563 7.781 -0.218 25703 7968 1 15 . 1 1 14 14 ALA N N 14 124.823 124.823 122.553 2.270 25703 7969 1 15 . 1 1 14 14 ALA HA H 14 4.025 4.025 4.023 0.002 25703 7970 1 15 . 1 1 14 14 ALA C C 14 179.909 179.909 179.751 0.158 25703 7971 1 15 . 1 1 14 14 ALA CA C 14 54.710 54.710 54.648 0.062 25703 7972 1 15 . 1 1 14 14 ALA CB C 14 19.286 19.286 18.848 0.438 25703 7973 1 15 . 1 1 14 14 ALA H H 14 7.671 7.671 6.988 0.683 25703 7974 1 15 . 1 1 15 15 ILE N N 15 108.002 108.002 114.334 -6.332 25703 7975 1 15 . 1 1 15 15 ILE HA H 15 3.721 3.721 3.859 -0.138 25703 7976 1 15 . 1 1 15 15 ILE C C 15 175.512 175.512 176.740 -1.228 25703 7977 1 15 . 1 1 15 15 ILE CA C 15 64.058 64.058 63.696 0.362 25703 7978 1 15 . 1 1 15 15 ILE CB C 15 38.277 38.277 37.089 1.188 25703 7979 1 15 . 1 1 15 15 ILE H H 15 7.195 7.195 7.794 -0.599 25703 7980 1 15 . 1 1 16 16 ALA N N 16 123.051 123.051 121.086 1.965 25703 7981 1 15 . 1 1 16 16 ALA HA H 16 4.013 4.013 4.331 -0.318 25703 7982 1 15 . 1 1 16 16 ALA C C 16 176.636 176.636 177.846 -1.210 25703 7983 1 15 . 1 1 16 16 ALA CA C 16 52.318 52.318 52.318 0.000 25703 7984 1 15 . 1 1 16 16 ALA CB C 16 18.956 18.956 18.625 0.331 25703 7985 1 15 . 1 1 16 16 ALA H H 16 6.623 6.623 7.480 -0.857 25703 7986 1 15 . 1 1 17 17 GLN N N 17 116.236 116.236 119.123 -2.887 25703 7987 1 15 . 1 1 17 17 GLN HA H 17 4.198 4.198 4.376 -0.178 25703 7988 1 15 . 1 1 17 17 GLN C C 17 174.965 174.965 174.910 0.055 25703 7989 1 15 . 1 1 17 17 GLN CA C 17 56.422 56.422 54.525 1.897 25703 7990 1 15 . 1 1 17 17 GLN CB C 17 34.338 34.338 29.831 4.508 25703 7991 1 15 . 1 1 17 17 GLN H H 17 7.140 7.140 7.521 -0.381 25703 7992 1 15 . 1 1 18 18 ASP N N 18 123.905 123.905 120.882 3.023 25703 7993 1 15 . 1 1 18 18 ASP HA H 18 4.998 4.998 4.865 0.133 25703 7994 1 15 . 1 1 18 18 ASP C C 18 174.817 174.817 175.882 -1.065 25703 7995 1 15 . 1 1 18 18 ASP CB C 18 39.414 39.414 40.234 -0.820 25703 7996 1 15 . 1 1 18 18 ASP H H 18 8.651 8.651 8.659 -0.008 25703 7997 1 15 . 1 1 19 19 LYS N N 19 119.499 119.499 118.231 1.268 25703 7998 1 15 . 1 1 19 19 LYS HA H 19 4.384 4.384 4.518 -0.134 25703 7999 1 15 . 1 1 19 19 LYS C C 19 172.740 172.740 174.583 -1.843 25703 8000 1 15 . 1 1 19 19 LYS CA C 19 55.163 55.163 54.517 0.646 25703 8001 1 15 . 1 1 19 19 LYS CB C 19 34.721 34.721 35.160 -0.439 25703 8002 1 15 . 1 1 19 19 LYS H H 19 7.950 7.950 7.357 0.593 25703 8003 1 15 . 1 1 20 20 LEU N N 20 121.877 121.877 123.339 -1.462 25703 8004 1 15 . 1 1 20 20 LEU HA H 20 4.972 4.972 4.823 0.149 25703 8005 1 15 . 1 1 20 20 LEU C C 20 173.937 173.937 175.209 -1.272 25703 8006 1 15 . 1 1 20 20 LEU CA C 20 57.132 57.132 53.968 3.164 25703 8007 1 15 . 1 1 20 20 LEU CB C 20 42.012 42.012 41.519 0.493 25703 8008 1 15 . 1 1 20 20 LEU H H 20 8.641 8.641 8.713 -0.072 25703 8009 1 15 . 1 1 21 21 VAL N N 21 129.812 129.812 128.440 1.372 25703 8010 1 15 . 1 1 21 21 VAL HA H 21 4.439 4.439 4.569 -0.130 25703 8011 1 15 . 1 1 21 21 VAL C C 21 173.493 173.493 174.364 -0.871 25703 8012 1 15 . 1 1 21 21 VAL CA C 21 62.510 62.510 61.520 0.990 25703 8013 1 15 . 1 1 21 21 VAL CB C 21 34.732 34.732 33.417 1.315 25703 8014 1 15 . 1 1 21 21 VAL H H 21 9.263 9.263 9.021 0.242 25703 8015 1 15 . 1 1 22 22 VAL N N 22 131.684 131.684 130.032 1.652 25703 8016 1 15 . 1 1 22 22 VAL HA H 22 4.408 4.408 4.947 -0.539 25703 8017 1 15 . 1 1 22 22 VAL C C 22 174.331 174.331 173.914 0.417 25703 8018 1 15 . 1 1 22 22 VAL CA C 22 61.561 61.561 60.018 1.543 25703 8019 1 15 . 1 1 22 22 VAL CB C 22 33.630 33.630 33.472 0.158 25703 8020 1 15 . 1 1 22 22 VAL H H 22 9.006 9.006 8.757 0.249 25703 8021 1 15 . 1 1 23 23 VAL N N 23 126.475 126.475 131.380 -4.905 25703 8022 1 15 . 1 1 23 23 VAL HA H 23 4.422 4.422 5.101 -0.679 25703 8023 1 15 . 1 1 23 23 VAL C C 23 174.342 174.342 174.531 -0.189 25703 8024 1 15 . 1 1 23 23 VAL CA C 23 61.672 61.672 60.324 1.348 25703 8025 1 15 . 1 1 23 23 VAL CB C 23 34.042 34.042 34.703 -0.661 25703 8026 1 15 . 1 1 23 23 VAL H H 23 9.551 9.551 8.231 1.320 25703 8027 1 15 . 1 1 24 24 ALA N N 24 131.649 131.649 128.620 3.029 25703 8028 1 15 . 1 1 24 24 ALA HA H 24 4.953 4.953 5.606 -0.653 25703 8029 1 15 . 1 1 24 24 ALA C C 24 174.683 174.683 177.217 -2.534 25703 8030 1 15 . 1 1 24 24 ALA CA C 24 51.712 51.712 49.518 2.194 25703 8031 1 15 . 1 1 24 24 ALA CB C 24 20.149 20.149 21.096 -0.947 25703 8032 1 15 . 1 1 24 24 ALA H H 24 8.991 8.991 8.277 0.714 25703 8033 1 15 . 1 1 25 25 PHE N N 25 124.535 124.535 125.149 -0.614 25703 8034 1 15 . 1 1 25 25 PHE HA H 25 5.002 5.002 4.712 0.290 25703 8035 1 15 . 1 1 25 25 PHE C C 25 174.231 174.231 174.540 -0.309 25703 8036 1 15 . 1 1 25 25 PHE CA C 25 58.196 58.196 59.583 -1.387 25703 8037 1 15 . 1 1 25 25 PHE CB C 25 40.231 40.231 39.173 1.058 25703 8038 1 15 . 1 1 25 25 PHE H H 25 9.231 9.231 8.952 0.279 25703 8039 1 15 . 1 1 26 26 TYR N N 26 121.986 121.986 122.560 -0.574 25703 8040 1 15 . 1 1 26 26 TYR HA H 26 5.112 5.112 4.791 0.321 25703 8041 1 15 . 1 1 26 26 TYR C C 26 170.727 170.727 174.761 -4.034 25703 8042 1 15 . 1 1 26 26 TYR CA C 26 55.240 55.240 55.959 -0.719 25703 8043 1 15 . 1 1 26 26 TYR CB C 26 43.023 43.023 43.252 -0.229 25703 8044 1 15 . 1 1 26 26 TYR H H 26 8.869 8.869 8.589 0.280 25703 8045 1 15 . 1 1 27 27 ALA N N 27 117.474 117.474 120.129 -2.655 25703 8046 1 15 . 1 1 27 27 ALA HA H 27 4.329 4.329 4.488 -0.159 25703 8047 1 15 . 1 1 27 27 ALA C C 27 178.755 178.755 176.230 2.525 25703 8048 1 15 . 1 1 27 27 ALA CA C 27 50.966 50.966 51.067 -0.101 25703 8049 1 15 . 1 1 27 27 ALA CB C 27 22.735 22.735 20.730 2.005 25703 8050 1 15 . 1 1 27 27 ALA H H 27 6.235 6.235 7.612 -1.377 25703 8051 1 15 . 1 1 28 28 THR N N 28 119.624 119.624 112.086 7.538 25703 8052 1 15 . 1 1 28 28 THR HA H 28 3.907 3.907 4.145 -0.238 25703 8053 1 15 . 1 1 28 28 THR C C 28 174.360 174.360 174.524 -0.164 25703 8054 1 15 . 1 1 28 28 THR CA C 28 65.865 65.865 63.907 1.958 25703 8055 1 15 . 1 1 28 28 THR CB C 28 69.336 69.336 68.542 0.794 25703 8056 1 15 . 1 1 28 28 THR H H 28 10.381 10.381 8.239 2.142 25703 8057 1 15 . 1 1 29 29 TRP N N 29 115.983 115.983 120.368 -4.385 25703 8058 1 15 . 1 1 29 29 TRP HA H 29 4.590 4.590 5.022 -0.432 25703 8059 1 15 . 1 1 29 29 TRP CA C 29 53.924 53.924 54.400 -0.476 25703 8060 1 15 . 1 1 29 29 TRP CB C 29 29.460 29.460 28.124 1.336 25703 8061 1 15 . 1 1 29 29 TRP H H 29 6.472 6.472 6.732 -0.260 25703 8062 1 15 . 1 1 30 30 CYS HA H 30 3.857 3.857 4.887 -1.030 25703 8063 1 15 . 1 1 30 30 CYS CA C 30 58.536 58.536 58.132 0.404 25703 8064 1 15 . 1 1 30 30 CYS CB C 30 37.005 37.005 29.621 7.384 25703 8065 1 15 . 1 1 31 31 GLY CA C 31 48.989 48.989 47.350 1.639 25703 8066 1 15 . 1 1 32 32 PRO HA H 32 4.398 4.398 4.335 0.063 25703 8067 1 15 . 1 1 32 32 PRO C C 32 177.189 177.189 178.493 -1.304 25703 8068 1 15 . 1 1 32 32 PRO CA C 32 65.366 65.366 64.773 0.593 25703 8069 1 15 . 1 1 32 32 PRO CB C 32 32.289 32.289 31.140 1.149 25703 8070 1 15 . 1 1 33 33 CYS N N 33 111.468 111.468 114.285 -2.817 25703 8071 1 15 . 1 1 33 33 CYS HA H 33 4.223 4.223 3.598 0.625 25703 8072 1 15 . 1 1 33 33 CYS CA C 33 65.801 65.801 62.666 3.135 25703 8073 1 15 . 1 1 33 33 CYS CB C 33 34.949 34.949 26.008 8.941 25703 8074 1 15 . 1 1 33 33 CYS H H 33 7.991 7.991 8.422 -0.431 25703 8075 1 15 . 1 1 34 34 LYS HA H 34 3.968 3.968 4.023 -0.055 25703 8076 1 15 . 1 1 34 34 LYS C C 34 178.052 178.052 178.266 -0.214 25703 8077 1 15 . 1 1 34 34 LYS CA C 34 59.661 59.661 58.770 0.891 25703 8078 1 15 . 1 1 34 34 LYS CB C 34 32.513 32.513 31.986 0.527 25703 8079 1 15 . 1 1 35 35 MET N N 35 117.236 117.236 115.882 1.354 25703 8080 1 15 . 1 1 35 35 MET HA H 35 4.194 4.194 4.256 -0.062 25703 8081 1 15 . 1 1 35 35 MET C C 35 177.451 177.451 178.447 -0.996 25703 8082 1 15 . 1 1 35 35 MET CA C 35 57.938 57.938 58.356 -0.418 25703 8083 1 15 . 1 1 35 35 MET CB C 35 32.628 32.628 32.927 -0.299 25703 8084 1 15 . 1 1 35 35 MET H H 35 7.326 7.326 7.516 -0.190 25703 8085 1 15 . 1 1 36 36 ILE N N 36 113.758 113.758 118.630 -4.872 25703 8086 1 15 . 1 1 36 36 ILE HA H 36 4.345 4.345 3.934 0.411 25703 8087 1 15 . 1 1 36 36 ILE C C 36 176.183 176.183 176.531 -0.348 25703 8088 1 15 . 1 1 36 36 ILE CA C 36 60.656 60.656 62.450 -1.794 25703 8089 1 15 . 1 1 36 36 ILE CB C 36 39.657 39.657 37.178 2.479 25703 8090 1 15 . 1 1 36 36 ILE H H 36 7.315 7.315 7.934 -0.619 25703 8091 1 15 . 1 1 37 37 ALA N N 37 126.738 126.738 124.986 1.752 25703 8092 1 15 . 1 1 37 37 ALA HA H 37 4.095 4.095 4.419 -0.324 25703 8093 1 15 . 1 1 37 37 ALA CA C 37 57.562 57.562 56.366 1.196 25703 8094 1 15 . 1 1 37 37 ALA CB C 37 15.912 15.912 16.696 -0.784 25703 8095 1 15 . 1 1 37 37 ALA H H 37 7.447 7.447 7.571 -0.124 25703 8096 1 15 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.258 0.012 25703 8097 1 15 . 1 1 38 38 PRO C C 38 178.922 178.922 178.509 0.413 25703 8098 1 15 . 1 1 38 38 PRO CA C 38 65.743 65.743 65.379 0.363 25703 8099 1 15 . 1 1 38 38 PRO CB C 38 31.224 31.224 31.378 -0.154 25703 8100 1 15 . 1 1 39 39 MET N N 39 118.310 118.310 117.939 0.371 25703 8101 1 15 . 1 1 39 39 MET HA H 39 3.859 3.859 3.901 -0.042 25703 8102 1 15 . 1 1 39 39 MET C C 39 174.441 174.441 178.301 -3.860 25703 8103 1 15 . 1 1 39 39 MET CA C 39 58.390 58.390 57.824 0.566 25703 8104 1 15 . 1 1 39 39 MET CB C 39 31.394 31.394 31.419 -0.025 25703 8105 1 15 . 1 1 39 39 MET H H 39 7.063 7.063 7.306 -0.243 25703 8106 1 15 . 1 1 40 40 ILE N N 40 119.013 119.013 118.316 0.697 25703 8107 1 15 . 1 1 40 40 ILE HA H 40 3.595 3.595 3.447 0.148 25703 8108 1 15 . 1 1 40 40 ILE C C 40 177.267 177.267 178.088 -0.821 25703 8109 1 15 . 1 1 40 40 ILE CA C 40 64.393 64.393 64.429 -0.036 25703 8110 1 15 . 1 1 40 40 ILE CB C 40 36.259 36.259 37.413 -1.154 25703 8111 1 15 . 1 1 40 40 ILE H H 40 7.752 7.752 8.605 -0.853 25703 8112 1 15 . 1 1 41 41 GLU N N 41 119.530 119.530 121.080 -1.550 25703 8113 1 15 . 1 1 41 41 GLU HA H 41 3.572 3.572 3.785 -0.213 25703 8114 1 15 . 1 1 41 41 GLU C C 41 179.597 179.597 178.478 1.119 25703 8115 1 15 . 1 1 41 41 GLU CA C 41 59.878 59.878 59.638 0.240 25703 8116 1 15 . 1 1 41 41 GLU CB C 41 29.900 29.900 29.228 0.672 25703 8117 1 15 . 1 1 41 41 GLU H H 41 7.442 7.442 7.707 -0.265 25703 8118 1 15 . 1 1 42 42 LYS N N 42 122.053 122.053 120.187 1.866 25703 8119 1 15 . 1 1 42 42 LYS HA H 42 3.932 3.932 4.006 -0.074 25703 8120 1 15 . 1 1 42 42 LYS C C 42 179.390 179.390 179.236 0.154 25703 8121 1 15 . 1 1 42 42 LYS CA C 42 59.532 59.532 59.231 0.301 25703 8122 1 15 . 1 1 42 42 LYS CB C 42 31.281 31.281 32.158 -0.877 25703 8123 1 15 . 1 1 42 42 LYS H H 42 7.428 7.428 7.821 -0.393 25703 8124 1 15 . 1 1 43 43 PHE N N 43 120.250 120.250 117.928 2.322 25703 8125 1 15 . 1 1 43 43 PHE HA H 43 4.639 4.639 4.217 0.422 25703 8126 1 15 . 1 1 43 43 PHE C C 43 177.337 177.337 176.192 1.145 25703 8127 1 15 . 1 1 43 43 PHE CA C 43 59.331 59.331 57.299 2.032 25703 8128 1 15 . 1 1 43 43 PHE CB C 43 37.737 37.737 37.630 0.107 25703 8129 1 15 . 1 1 43 43 PHE H H 43 8.337 8.337 8.128 0.209 25703 8130 1 15 . 1 1 44 44 SER N N 44 117.203 117.203 113.926 3.277 25703 8131 1 15 . 1 1 44 44 SER HA H 44 2.967 2.967 2.975 -0.008 25703 8132 1 15 . 1 1 44 44 SER C C 44 174.934 174.934 175.096 -0.162 25703 8133 1 15 . 1 1 44 44 SER CA C 44 61.159 61.159 59.841 1.318 25703 8134 1 15 . 1 1 44 44 SER CB C 44 62.353 62.353 61.988 0.365 25703 8135 1 15 . 1 1 44 44 SER H H 44 7.754 7.754 7.466 0.288 25703 8136 1 15 . 1 1 45 45 GLU N N 45 121.664 121.664 119.577 2.087 25703 8137 1 15 . 1 1 45 45 GLU HA H 45 4.049 4.049 4.119 -0.070 25703 8138 1 15 . 1 1 45 45 GLU C C 45 177.360 177.360 177.088 0.272 25703 8139 1 15 . 1 1 45 45 GLU CA C 45 57.739 57.739 56.881 0.858 25703 8140 1 15 . 1 1 45 45 GLU CB C 45 30.191 30.191 29.566 0.625 25703 8141 1 15 . 1 1 45 45 GLU H H 45 6.884 6.884 7.497 -0.613 25703 8142 1 15 . 1 1 46 46 GLN N N 46 118.766 118.766 116.366 2.400 25703 8143 1 15 . 1 1 46 46 GLN HA H 46 3.948 3.948 4.287 -0.339 25703 8144 1 15 . 1 1 46 46 GLN C C 46 177.431 177.431 176.180 1.251 25703 8145 1 15 . 1 1 46 46 GLN CA C 46 58.372 58.372 55.558 2.814 25703 8146 1 15 . 1 1 46 46 GLN CB C 46 30.160 30.160 29.763 0.397 25703 8147 1 15 . 1 1 46 46 GLN H H 46 7.551 7.551 7.036 0.515 25703 8148 1 15 . 1 1 47 47 TYR N N 47 117.012 117.012 119.872 -2.860 25703 8149 1 15 . 1 1 47 47 TYR HA H 47 4.971 4.971 4.826 0.145 25703 8150 1 15 . 1 1 47 47 TYR CA C 47 56.523 56.523 54.016 2.507 25703 8151 1 15 . 1 1 47 47 TYR CB C 47 38.479 38.479 36.887 1.592 25703 8152 1 15 . 1 1 47 47 TYR H H 47 7.426 7.426 7.151 0.275 25703 8153 1 15 . 1 1 48 48 PRO HA H 48 4.388 4.388 4.408 -0.020 25703 8154 1 15 . 1 1 48 48 PRO C C 48 176.927 176.927 177.284 -0.357 25703 8155 1 15 . 1 1 48 48 PRO CA C 48 65.425 65.425 64.515 0.910 25703 8156 1 15 . 1 1 48 48 PRO CB C 48 32.619 32.619 32.204 0.415 25703 8157 1 15 . 1 1 49 49 GLN N N 49 120.194 120.194 116.773 3.421 25703 8158 1 15 . 1 1 49 49 GLN HA H 49 4.369 4.369 4.453 -0.084 25703 8159 1 15 . 1 1 49 49 GLN C C 49 174.438 174.438 174.828 -0.390 25703 8160 1 15 . 1 1 49 49 GLN CA C 49 56.832 56.832 55.465 1.367 25703 8161 1 15 . 1 1 49 49 GLN CB C 49 28.164 28.164 28.741 -0.577 25703 8162 1 15 . 1 1 49 49 GLN H H 49 9.624 9.624 8.552 1.072 25703 8163 1 15 . 1 1 50 50 ALA N N 50 128.180 128.180 122.518 5.662 25703 8164 1 15 . 1 1 50 50 ALA HA H 50 5.048 5.048 4.431 0.617 25703 8165 1 15 . 1 1 50 50 ALA C C 50 174.685 174.685 176.620 -1.935 25703 8166 1 15 . 1 1 50 50 ALA CA C 50 50.518 50.518 50.946 -0.428 25703 8167 1 15 . 1 1 50 50 ALA CB C 50 22.754 22.754 20.889 1.865 25703 8168 1 15 . 1 1 50 50 ALA H H 50 8.179 8.179 7.734 0.445 25703 8169 1 15 . 1 1 51 51 ASP N N 51 121.032 121.032 119.713 1.319 25703 8170 1 15 . 1 1 51 51 ASP HA H 51 5.102 5.102 4.664 0.438 25703 8171 1 15 . 1 1 51 51 ASP C C 51 174.171 174.171 174.348 -0.177 25703 8172 1 15 . 1 1 51 51 ASP CA C 51 53.515 53.515 53.583 -0.068 25703 8173 1 15 . 1 1 51 51 ASP CB C 51 44.782 44.782 44.187 0.595 25703 8174 1 15 . 1 1 51 51 ASP H H 51 8.435 8.435 8.561 -0.126 25703 8175 1 15 . 1 1 52 52 PHE N N 52 121.696 121.696 119.148 2.548 25703 8176 1 15 . 1 1 52 52 PHE HA H 52 5.172 5.172 5.280 -0.108 25703 8177 1 15 . 1 1 52 52 PHE C C 52 174.110 174.110 173.472 0.638 25703 8178 1 15 . 1 1 52 52 PHE CA C 52 57.189 57.189 55.307 1.881 25703 8179 1 15 . 1 1 52 52 PHE CB C 52 42.291 42.291 39.967 2.325 25703 8180 1 15 . 1 1 52 52 PHE H H 52 8.983 8.983 7.318 1.665 25703 8181 1 15 . 1 1 53 53 TYR N N 53 122.042 122.042 120.961 1.081 25703 8182 1 15 . 1 1 53 53 TYR HA H 53 5.495 5.495 5.255 0.240 25703 8183 1 15 . 1 1 53 53 TYR C C 53 174.002 174.002 175.390 -1.388 25703 8184 1 15 . 1 1 53 53 TYR CA C 53 56.214 56.214 55.954 0.260 25703 8185 1 15 . 1 1 53 53 TYR CB C 53 46.407 46.407 42.562 3.845 25703 8186 1 15 . 1 1 53 53 TYR H H 53 9.362 9.362 9.167 0.195 25703 8187 1 15 . 1 1 54 54 LYS N N 54 116.808 116.808 119.928 -3.120 25703 8188 1 15 . 1 1 54 54 LYS HA H 54 5.505 5.505 4.810 0.695 25703 8189 1 15 . 1 1 54 54 LYS C C 54 172.792 172.792 174.431 -1.639 25703 8190 1 15 . 1 1 54 54 LYS CA C 54 53.943 53.943 55.782 -1.839 25703 8191 1 15 . 1 1 54 54 LYS CB C 54 36.950 36.950 36.139 0.811 25703 8192 1 15 . 1 1 54 54 LYS H H 54 8.463 8.463 8.926 -0.463 25703 8193 1 15 . 1 1 55 55 LEU N N 55 123.826 123.826 121.688 2.138 25703 8194 1 15 . 1 1 55 55 LEU HA H 55 4.472 4.472 4.473 -0.001 25703 8195 1 15 . 1 1 55 55 LEU C C 55 171.652 171.652 174.829 -3.177 25703 8196 1 15 . 1 1 55 55 LEU CA C 55 55.906 55.906 52.944 2.962 25703 8197 1 15 . 1 1 55 55 LEU CB C 55 46.528 46.528 45.099 1.429 25703 8198 1 15 . 1 1 55 55 LEU H H 55 8.688 8.688 8.627 0.061 25703 8199 1 15 . 1 1 56 56 ASP N N 56 127.169 127.169 117.840 9.329 25703 8200 1 15 . 1 1 56 56 ASP HA H 56 4.130 4.130 4.953 -0.823 25703 8201 1 15 . 1 1 56 56 ASP C C 56 177.692 177.692 176.514 1.178 25703 8202 1 15 . 1 1 56 56 ASP CA C 56 54.074 54.074 53.260 0.815 25703 8203 1 15 . 1 1 56 56 ASP CB C 56 41.388 41.388 42.798 -1.410 25703 8204 1 15 . 1 1 56 56 ASP H H 56 8.595 8.595 8.253 0.342 25703 8205 1 15 . 1 1 57 57 VAL N N 57 123.562 123.562 115.442 8.120 25703 8206 1 15 . 1 1 57 57 VAL HA H 57 3.491 3.491 4.098 -0.607 25703 8207 1 15 . 1 1 57 57 VAL C C 57 175.413 175.413 176.293 -0.880 25703 8208 1 15 . 1 1 57 57 VAL CA C 57 65.095 65.095 64.388 0.707 25703 8209 1 15 . 1 1 57 57 VAL CB C 57 31.658 31.658 31.767 -0.109 25703 8210 1 15 . 1 1 57 57 VAL H H 57 8.712 8.712 8.755 -0.043 25703 8211 1 15 . 1 1 58 58 ASP N N 58 120.070 120.070 118.723 1.347 25703 8212 1 15 . 1 1 58 58 ASP HA H 58 4.827 4.827 4.503 0.325 25703 8213 1 15 . 1 1 58 58 ASP C C 58 177.131 177.131 177.514 -0.383 25703 8214 1 15 . 1 1 58 58 ASP CA C 58 57.693 57.693 56.890 0.803 25703 8215 1 15 . 1 1 58 58 ASP CB C 58 40.827 40.827 41.108 -0.281 25703 8216 1 15 . 1 1 58 58 ASP H H 58 8.670 8.670 8.379 0.291 25703 8217 1 15 . 1 1 59 59 GLU N N 59 120.889 120.889 117.727 3.162 25703 8218 1 15 . 1 1 59 59 GLU HA H 59 4.358 4.358 4.409 -0.051 25703 8219 1 15 . 1 1 59 59 GLU C C 59 176.606 176.606 177.870 -1.264 25703 8220 1 15 . 1 1 59 59 GLU CA C 59 57.881 57.881 57.006 0.875 25703 8221 1 15 . 1 1 59 59 GLU CB C 59 32.138 32.138 31.156 0.982 25703 8222 1 15 . 1 1 59 59 GLU H H 59 7.616 7.616 8.345 -0.729 25703 8223 1 15 . 1 1 60 60 LEU N N 60 122.457 122.457 121.480 0.977 25703 8224 1 15 . 1 1 60 60 LEU HA H 60 4.916 4.916 4.702 0.214 25703 8225 1 15 . 1 1 60 60 LEU C C 60 176.538 176.538 176.927 -0.389 25703 8226 1 15 . 1 1 60 60 LEU CA C 60 52.864 52.864 53.067 -0.203 25703 8227 1 15 . 1 1 60 60 LEU CB C 60 42.270 42.270 38.954 3.316 25703 8228 1 15 . 1 1 60 60 LEU H H 60 7.690 7.690 8.609 -0.919 25703 8229 1 15 . 1 1 61 61 GLY N N 61 112.065 112.065 109.441 2.624 25703 8230 1 15 . 1 1 61 61 GLY C C 61 175.917 175.917 175.489 0.428 25703 8231 1 15 . 1 1 61 61 GLY CA C 61 48.760 48.760 46.979 1.781 25703 8232 1 15 . 1 1 61 61 GLY H H 61 8.267 8.267 7.724 0.543 25703 8233 1 15 . 1 1 62 62 ASP N N 62 120.904 120.904 120.769 0.135 25703 8234 1 15 . 1 1 62 62 ASP HA H 62 4.302 4.302 4.472 -0.170 25703 8235 1 15 . 1 1 62 62 ASP C C 62 178.355 178.355 177.978 0.377 25703 8236 1 15 . 1 1 62 62 ASP CA C 62 57.045 57.045 57.383 -0.338 25703 8237 1 15 . 1 1 62 62 ASP CB C 62 39.646 39.646 40.671 -1.025 25703 8238 1 15 . 1 1 62 62 ASP H H 62 9.155 9.155 8.153 1.002 25703 8239 1 15 . 1 1 63 63 VAL N N 63 121.465 121.465 120.162 1.303 25703 8240 1 15 . 1 1 63 63 VAL HA H 63 3.310 3.310 3.743 -0.433 25703 8241 1 15 . 1 1 63 63 VAL C C 63 178.724 178.724 177.254 1.470 25703 8242 1 15 . 1 1 63 63 VAL CA C 63 65.878 65.878 65.669 0.209 25703 8243 1 15 . 1 1 63 63 VAL CB C 63 31.718 31.718 31.399 0.319 25703 8244 1 15 . 1 1 63 63 VAL H H 63 7.263 7.263 8.155 -0.892 25703 8245 1 15 . 1 1 64 64 ALA N N 64 123.341 123.341 121.775 1.566 25703 8246 1 15 . 1 1 64 64 ALA HA H 64 3.774 3.774 3.572 0.202 25703 8247 1 15 . 1 1 64 64 ALA C C 64 177.984 177.984 179.520 -1.536 25703 8248 1 15 . 1 1 64 64 ALA CA C 64 56.326 56.326 55.245 1.081 25703 8249 1 15 . 1 1 64 64 ALA CB C 64 18.296 18.296 18.229 0.067 25703 8250 1 15 . 1 1 64 64 ALA H H 64 7.248 7.248 7.819 -0.571 25703 8251 1 15 . 1 1 65 65 GLN N N 65 118.749 118.749 116.475 2.274 25703 8252 1 15 . 1 1 65 65 GLN HA H 65 4.013 4.013 4.151 -0.138 25703 8253 1 15 . 1 1 65 65 GLN CA C 65 59.524 59.524 57.849 1.675 25703 8254 1 15 . 1 1 65 65 GLN CB C 65 28.802 28.802 28.272 0.530 25703 8255 1 15 . 1 1 65 65 GLN H H 65 8.276 8.276 7.831 0.445 25703 8256 1 15 . 1 1 66 66 LYS N N 66 120.950 120.950 121.033 -0.083 25703 8257 1 15 . 1 1 66 66 LYS HA H 66 4.033 4.033 4.086 -0.053 25703 8258 1 15 . 1 1 66 66 LYS C C 66 176.439 176.439 178.020 -1.581 25703 8259 1 15 . 1 1 66 66 LYS CA C 66 59.276 59.276 58.937 0.339 25703 8260 1 15 . 1 1 66 66 LYS CB C 66 32.706 32.706 32.294 0.413 25703 8261 1 15 . 1 1 66 66 LYS H H 66 7.984 7.984 8.215 -0.231 25703 8262 1 15 . 1 1 67 67 ASN N N 67 115.512 115.512 114.747 0.765 25703 8263 1 15 . 1 1 67 67 ASN HA H 67 4.698 4.698 4.974 -0.276 25703 8264 1 15 . 1 1 67 67 ASN C C 67 171.075 171.075 173.743 -2.668 25703 8265 1 15 . 1 1 67 67 ASN CA C 67 54.555 54.555 53.289 1.266 25703 8266 1 15 . 1 1 67 67 ASN CB C 67 40.572 40.572 38.911 1.661 25703 8267 1 15 . 1 1 67 67 ASN H H 67 7.052 7.052 7.682 -0.630 25703 8268 1 15 . 1 1 68 68 GLU N N 68 115.540 115.540 116.322 -0.782 25703 8269 1 15 . 1 1 68 68 GLU HA H 68 3.724 3.724 3.841 -0.117 25703 8270 1 15 . 1 1 68 68 GLU C C 68 175.135 175.135 175.148 -0.013 25703 8271 1 15 . 1 1 68 68 GLU CA C 68 57.472 57.472 56.782 0.689 25703 8272 1 15 . 1 1 68 68 GLU CB C 68 27.320 27.320 27.362 -0.042 25703 8273 1 15 . 1 1 68 68 GLU H H 68 7.708 7.708 7.540 0.168 25703 8274 1 15 . 1 1 69 69 VAL N N 69 121.037 121.037 119.849 1.188 25703 8275 1 15 . 1 1 69 69 VAL HA H 69 3.891 3.891 3.776 0.115 25703 8276 1 15 . 1 1 69 69 VAL C C 69 174.845 174.845 175.823 -0.978 25703 8277 1 15 . 1 1 69 69 VAL CA C 69 63.315 63.315 63.659 -0.344 25703 8278 1 15 . 1 1 69 69 VAL CB C 69 31.259 31.259 31.072 0.187 25703 8279 1 15 . 1 1 69 69 VAL H H 69 7.786 7.786 8.260 -0.474 25703 8280 1 15 . 1 1 70 70 SER N N 70 123.071 123.071 122.052 1.019 25703 8281 1 15 . 1 1 70 70 SER HA H 70 4.453 4.453 4.664 -0.211 25703 8282 1 15 . 1 1 70 70 SER C C 70 172.450 172.450 173.279 -0.829 25703 8283 1 15 . 1 1 70 70 SER CA C 70 58.194 58.194 58.082 0.112 25703 8284 1 15 . 1 1 70 70 SER CB C 70 65.148 65.148 63.709 1.439 25703 8285 1 15 . 1 1 70 70 SER H H 70 8.556 8.556 8.734 -0.178 25703 8286 1 15 . 1 1 71 71 ALA N N 71 127.000 127.000 123.565 3.435 25703 8287 1 15 . 1 1 71 71 ALA HA H 71 4.554 4.554 4.610 -0.056 25703 8288 1 15 . 1 1 71 71 ALA C C 71 175.018 175.018 174.867 0.151 25703 8289 1 15 . 1 1 71 71 ALA CA C 71 51.898 51.898 52.507 -0.609 25703 8290 1 15 . 1 1 71 71 ALA CB C 71 21.560 21.560 21.003 0.557 25703 8291 1 15 . 1 1 71 71 ALA H H 71 7.884 7.884 7.528 0.356 25703 8292 1 15 . 1 1 72 72 MET N N 72 120.240 120.240 120.107 0.133 25703 8293 1 15 . 1 1 72 72 MET HA H 72 4.827 4.827 5.030 -0.203 25703 8294 1 15 . 1 1 72 72 MET CA C 72 57.888 57.888 52.168 5.720 25703 8295 1 15 . 1 1 72 72 MET CB C 72 36.102 36.102 32.724 3.378 25703 8296 1 15 . 1 1 72 72 MET H H 72 8.664 8.664 8.399 0.265 25703 8297 1 15 . 1 1 73 73 PRO HA H 73 4.988 4.988 5.159 -0.171 25703 8298 1 15 . 1 1 73 73 PRO C C 73 175.162 175.162 176.154 -0.992 25703 8299 1 15 . 1 1 73 73 PRO CA C 73 64.042 64.042 61.523 2.519 25703 8300 1 15 . 1 1 73 73 PRO CB C 73 35.151 35.151 33.491 1.660 25703 8301 1 15 . 1 1 74 74 THR N N 74 114.942 114.942 115.301 -0.359 25703 8302 1 15 . 1 1 74 74 THR HA H 74 4.995 4.995 4.653 0.342 25703 8303 1 15 . 1 1 74 74 THR C C 74 170.891 170.891 173.882 -2.991 25703 8304 1 15 . 1 1 74 74 THR CA C 74 63.926 63.926 62.464 1.462 25703 8305 1 15 . 1 1 74 74 THR CB C 74 73.856 73.856 70.607 3.249 25703 8306 1 15 . 1 1 74 74 THR H H 74 7.490 7.490 8.331 -0.841 25703 8307 1 15 . 1 1 75 75 LEU N N 75 132.149 132.149 129.547 2.602 25703 8308 1 15 . 1 1 75 75 LEU HA H 75 5.493 5.493 4.813 0.680 25703 8309 1 15 . 1 1 75 75 LEU C C 75 174.331 174.331 174.688 -0.357 25703 8310 1 15 . 1 1 75 75 LEU CA C 75 53.852 53.852 54.254 -0.402 25703 8311 1 15 . 1 1 75 75 LEU CB C 75 45.160 45.160 42.032 3.128 25703 8312 1 15 . 1 1 75 75 LEU H H 75 9.427 9.427 8.942 0.485 25703 8313 1 15 . 1 1 76 76 LEU N N 76 124.814 124.814 125.557 -0.743 25703 8314 1 15 . 1 1 76 76 LEU HA H 76 4.932 4.932 4.748 0.184 25703 8315 1 15 . 1 1 76 76 LEU C C 76 173.732 173.732 175.647 -1.915 25703 8316 1 15 . 1 1 76 76 LEU CA C 76 54.032 54.032 53.774 0.258 25703 8317 1 15 . 1 1 76 76 LEU CB C 76 46.726 46.726 43.586 3.140 25703 8318 1 15 . 1 1 76 76 LEU H H 76 9.240 9.240 8.325 0.915 25703 8319 1 15 . 1 1 77 77 LEU N N 77 123.770 123.770 120.784 2.986 25703 8320 1 15 . 1 1 77 77 LEU HA H 77 5.251 5.251 5.182 0.069 25703 8321 1 15 . 1 1 77 77 LEU C C 77 174.442 174.442 176.110 -1.668 25703 8322 1 15 . 1 1 77 77 LEU CA C 77 55.087 55.087 53.627 1.460 25703 8323 1 15 . 1 1 77 77 LEU CB C 77 43.250 43.250 42.019 1.232 25703 8324 1 15 . 1 1 77 77 LEU H H 77 8.175 8.175 7.983 0.192 25703 8325 1 15 . 1 1 78 78 PHE N N 78 122.975 122.975 123.905 -0.930 25703 8326 1 15 . 1 1 78 78 PHE HA H 78 5.397 5.397 4.935 0.462 25703 8327 1 15 . 1 1 78 78 PHE C C 78 173.920 173.920 174.907 -0.987 25703 8328 1 15 . 1 1 78 78 PHE CA C 78 56.867 56.867 57.352 -0.485 25703 8329 1 15 . 1 1 78 78 PHE CB C 78 44.858 44.858 43.008 1.850 25703 8330 1 15 . 1 1 78 78 PHE H H 78 9.742 9.742 9.378 0.364 25703 8331 1 15 . 1 1 79 79 LYS N N 79 118.164 118.164 121.857 -3.693 25703 8332 1 15 . 1 1 79 79 LYS HA H 79 4.817 4.817 5.297 -0.480 25703 8333 1 15 . 1 1 79 79 LYS C C 79 177.194 177.194 176.295 0.899 25703 8334 1 15 . 1 1 79 79 LYS CA C 79 57.980 57.980 54.876 3.104 25703 8335 1 15 . 1 1 79 79 LYS CB C 79 37.031 37.031 34.779 2.252 25703 8336 1 15 . 1 1 79 79 LYS H H 79 8.745 8.745 8.718 0.027 25703 8337 1 15 . 1 1 80 80 ASN N N 80 126.660 126.660 125.342 1.318 25703 8338 1 15 . 1 1 80 80 ASN HA H 80 4.291 4.291 4.301 -0.010 25703 8339 1 15 . 1 1 80 80 ASN C C 80 174.868 174.868 175.882 -1.014 25703 8340 1 15 . 1 1 80 80 ASN CA C 80 54.925 54.925 54.110 0.815 25703 8341 1 15 . 1 1 80 80 ASN CB C 80 38.055 38.055 36.301 1.754 25703 8342 1 15 . 1 1 80 80 ASN H H 80 8.893 8.893 9.405 -0.512 25703 8343 1 15 . 1 1 81 81 GLY N N 81 103.991 103.991 105.734 -1.743 25703 8344 1 15 . 1 1 81 81 GLY C C 81 172.724 172.724 174.370 -1.646 25703 8345 1 15 . 1 1 81 81 GLY CA C 81 46.145 46.145 45.786 0.359 25703 8346 1 15 . 1 1 81 81 GLY H H 81 8.639 8.639 8.825 -0.186 25703 8347 1 15 . 1 1 82 82 LYS N N 82 120.266 120.266 120.078 0.188 25703 8348 1 15 . 1 1 82 82 LYS HA H 82 4.937 4.937 4.427 0.510 25703 8349 1 15 . 1 1 82 82 LYS C C 82 174.364 174.364 175.951 -1.587 25703 8350 1 15 . 1 1 82 82 LYS CA C 82 55.602 55.602 55.528 0.074 25703 8351 1 15 . 1 1 82 82 LYS CB C 82 35.830 35.830 33.630 2.200 25703 8352 1 15 . 1 1 82 82 LYS H H 82 7.576 7.576 8.224 -0.648 25703 8353 1 15 . 1 1 83 83 GLU N N 83 126.445 126.445 116.822 9.623 25703 8354 1 15 . 1 1 83 83 GLU HA H 83 3.867 3.867 4.024 -0.157 25703 8355 1 15 . 1 1 83 83 GLU C C 83 176.728 176.728 174.230 2.498 25703 8356 1 15 . 1 1 83 83 GLU CA C 83 57.345 57.345 57.496 -0.151 25703 8357 1 15 . 1 1 83 83 GLU CB C 83 30.927 30.927 29.869 1.058 25703 8358 1 15 . 1 1 83 83 GLU H H 83 8.819 8.819 7.938 0.881 25703 8359 1 15 . 1 1 84 84 VAL N N 84 123.147 123.147 119.546 3.601 25703 8360 1 15 . 1 1 84 84 VAL HA H 84 4.417 4.417 4.234 0.183 25703 8361 1 15 . 1 1 84 84 VAL C C 84 175.128 175.128 173.837 1.291 25703 8362 1 15 . 1 1 84 84 VAL CA C 84 61.453 61.453 61.690 -0.237 25703 8363 1 15 . 1 1 84 84 VAL CB C 84 33.692 33.692 34.416 -0.724 25703 8364 1 15 . 1 1 84 84 VAL H H 84 9.258 9.258 8.687 0.571 25703 8365 1 15 . 1 1 85 85 ALA N N 85 122.281 122.281 120.347 1.934 25703 8366 1 15 . 1 1 85 85 ALA HA H 85 4.414 4.414 4.556 -0.142 25703 8367 1 15 . 1 1 85 85 ALA C C 85 173.291 173.291 174.384 -1.093 25703 8368 1 15 . 1 1 85 85 ALA CA C 85 53.133 53.133 51.367 1.766 25703 8369 1 15 . 1 1 85 85 ALA CB C 85 22.544 22.544 21.206 1.338 25703 8370 1 15 . 1 1 85 85 ALA H H 85 7.573 7.573 7.647 -0.074 25703 8371 1 15 . 1 1 86 86 LYS N N 86 120.704 120.704 121.275 -0.571 25703 8372 1 15 . 1 1 86 86 LYS HA H 86 4.933 4.933 4.521 0.412 25703 8373 1 15 . 1 1 86 86 LYS C C 86 174.506 174.506 174.279 0.227 25703 8374 1 15 . 1 1 86 86 LYS CA C 86 55.860 55.860 55.574 0.286 25703 8375 1 15 . 1 1 86 86 LYS CB C 86 35.979 35.979 34.565 1.414 25703 8376 1 15 . 1 1 86 86 LYS H H 86 8.014 8.014 8.293 -0.279 25703 8377 1 15 . 1 1 87 87 VAL N N 87 126.817 126.817 126.099 0.718 25703 8378 1 15 . 1 1 87 87 VAL HA H 87 4.276 4.276 4.412 -0.136 25703 8379 1 15 . 1 1 87 87 VAL C C 87 174.002 174.002 173.934 0.068 25703 8380 1 15 . 1 1 87 87 VAL CA C 87 62.070 62.070 61.135 0.935 25703 8381 1 15 . 1 1 87 87 VAL CB C 87 34.958 34.958 36.062 -1.104 25703 8382 1 15 . 1 1 87 87 VAL H H 87 9.186 9.186 8.797 0.389 25703 8383 1 15 . 1 1 88 88 VAL N N 88 129.683 129.683 126.113 3.570 25703 8384 1 15 . 1 1 88 88 VAL HA H 88 4.446 4.446 4.407 0.039 25703 8385 1 15 . 1 1 88 88 VAL C C 88 175.594 175.594 175.242 0.352 25703 8386 1 15 . 1 1 88 88 VAL CA C 88 62.462 62.462 61.188 1.274 25703 8387 1 15 . 1 1 88 88 VAL CB C 88 33.275 33.275 31.396 1.879 25703 8388 1 15 . 1 1 88 88 VAL H H 88 9.026 9.026 8.516 0.510 25703 8389 1 15 . 1 1 89 89 GLY N N 89 114.918 114.918 113.455 1.463 25703 8390 1 15 . 1 1 89 89 GLY CA C 89 44.014 44.014 45.368 -1.354 25703 8391 1 15 . 1 1 89 89 GLY H H 89 8.298 8.298 7.642 0.656 25703 8392 1 15 . 1 1 90 90 ALA HA H 90 4.227 4.227 4.295 -0.068 25703 8393 1 15 . 1 1 90 90 ALA C C 90 174.279 174.279 177.302 -3.023 25703 8394 1 15 . 1 1 90 90 ALA CA C 90 50.915 50.915 52.210 -1.295 25703 8395 1 15 . 1 1 90 90 ALA CB C 90 18.480 18.480 17.825 0.655 25703 8396 1 15 . 1 1 91 91 ASN N N 91 121.022 121.022 121.830 -0.808 25703 8397 1 15 . 1 1 91 91 ASN HA H 91 5.114 5.114 5.041 0.073 25703 8398 1 15 . 1 1 91 91 ASN CA C 91 50.500 50.500 50.545 -0.045 25703 8399 1 15 . 1 1 91 91 ASN CB C 91 39.514 39.514 38.644 0.870 25703 8400 1 15 . 1 1 91 91 ASN H H 91 7.360 7.360 7.991 -0.631 25703 8401 1 15 . 1 1 92 92 PRO HA H 92 4.116 4.116 4.353 -0.237 25703 8402 1 15 . 1 1 92 92 PRO CA C 92 63.392 63.392 64.953 -1.561 25703 8403 1 15 . 1 1 93 93 ALA HA H 93 4.074 4.074 4.431 -0.357 25703 8404 1 15 . 1 1 93 93 ALA C C 93 179.673 179.673 178.723 0.950 25703 8405 1 15 . 1 1 93 93 ALA CA C 93 55.353 55.353 53.865 1.488 25703 8406 1 15 . 1 1 93 93 ALA CB C 93 18.455 18.455 18.500 -0.045 25703 8407 1 15 . 1 1 94 94 ALA N N 94 121.514 121.514 120.393 1.121 25703 8408 1 15 . 1 1 94 94 ALA HA H 94 4.064 4.064 4.236 -0.172 25703 8409 1 15 . 1 1 94 94 ALA C C 94 180.373 180.373 179.225 1.148 25703 8410 1 15 . 1 1 94 94 ALA CA C 94 55.418 55.418 53.954 1.464 25703 8411 1 15 . 1 1 94 94 ALA CB C 94 19.268 19.268 18.440 0.828 25703 8412 1 15 . 1 1 94 94 ALA H H 94 7.228 7.228 7.963 -0.735 25703 8413 1 15 . 1 1 95 95 ILE N N 95 120.330 120.330 119.963 0.367 25703 8414 1 15 . 1 1 95 95 ILE HA H 95 3.358 3.358 3.773 -0.415 25703 8415 1 15 . 1 1 95 95 ILE C C 95 175.639 175.639 177.005 -1.366 25703 8416 1 15 . 1 1 95 95 ILE CA C 95 66.564 66.564 62.985 3.579 25703 8417 1 15 . 1 1 95 95 ILE CB C 95 38.854 38.854 38.149 0.705 25703 8418 1 15 . 1 1 95 95 ILE H H 95 7.738 7.738 8.029 -0.291 25703 8419 1 15 . 1 1 96 96 LYS N N 96 119.846 119.846 118.803 1.043 25703 8420 1 15 . 1 1 96 96 LYS HA H 96 3.144 3.144 3.959 -0.815 25703 8421 1 15 . 1 1 96 96 LYS C C 96 177.288 177.288 179.138 -1.850 25703 8422 1 15 . 1 1 96 96 LYS CA C 96 60.420 60.420 59.233 1.187 25703 8423 1 15 . 1 1 96 96 LYS CB C 96 32.612 32.612 31.358 1.254 25703 8424 1 15 . 1 1 96 96 LYS H H 96 8.087 8.087 7.655 0.432 25703 8425 1 15 . 1 1 97 97 GLN N N 97 116.484 116.484 119.585 -3.101 25703 8426 1 15 . 1 1 97 97 GLN HA H 97 3.848 3.848 4.055 -0.207 25703 8427 1 15 . 1 1 97 97 GLN C C 97 177.461 177.461 178.131 -0.670 25703 8428 1 15 . 1 1 97 97 GLN CA C 97 59.069 59.069 59.003 0.066 25703 8429 1 15 . 1 1 97 97 GLN CB C 97 28.799 28.799 28.342 0.457 25703 8430 1 15 . 1 1 97 97 GLN H H 97 7.700 7.700 7.646 0.054 25703 8431 1 15 . 1 1 98 98 ALA N N 98 121.852 121.852 121.250 0.602 25703 8432 1 15 . 1 1 98 98 ALA HA H 98 3.921 3.921 4.114 -0.193 25703 8433 1 15 . 1 1 98 98 ALA C C 98 174.452 174.452 179.889 -5.437 25703 8434 1 15 . 1 1 98 98 ALA CA C 98 55.207 55.207 54.770 0.438 25703 8435 1 15 . 1 1 98 98 ALA CB C 98 18.356 18.356 18.613 -0.257 25703 8436 1 15 . 1 1 98 98 ALA H H 98 7.456 7.456 7.604 -0.148 25703 8437 1 15 . 1 1 99 99 ILE N N 99 118.810 118.810 118.281 0.529 25703 8438 1 15 . 1 1 99 99 ILE HA H 99 3.037 3.037 3.851 -0.814 25703 8439 1 15 . 1 1 99 99 ILE C C 99 176.476 176.476 177.025 -0.549 25703 8440 1 15 . 1 1 99 99 ILE CA C 99 65.925 65.925 62.330 3.595 25703 8441 1 15 . 1 1 99 99 ILE CB C 99 38.622 38.622 37.202 1.420 25703 8442 1 15 . 1 1 99 99 ILE H H 99 7.692 7.692 8.510 -0.818 25703 8443 1 15 . 1 1 100 100 ALA N N 100 120.478 120.478 120.878 -0.400 25703 8444 1 15 . 1 1 100 100 ALA HA H 100 3.713 3.713 4.231 -0.518 25703 8445 1 15 . 1 1 100 100 ALA C C 100 179.910 179.910 178.592 1.318 25703 8446 1 15 . 1 1 100 100 ALA CA C 100 55.491 55.491 53.667 1.824 25703 8447 1 15 . 1 1 100 100 ALA CB C 100 18.656 18.656 19.326 -0.670 25703 8448 1 15 . 1 1 100 100 ALA H H 100 8.164 8.164 8.069 0.095 25703 8449 1 15 . 1 1 101 101 ALA N N 101 116.616 116.616 120.919 -4.303 25703 8450 1 15 . 1 1 101 101 ALA HA H 101 4.084 4.084 4.080 0.004 25703 8451 1 15 . 1 1 101 101 ALA C C 101 177.705 177.705 178.954 -1.249 25703 8452 1 15 . 1 1 101 101 ALA CA C 101 54.113 54.113 54.147 -0.034 25703 8453 1 15 . 1 1 101 101 ALA CB C 101 19.576 19.576 19.291 0.284 25703 8454 1 15 . 1 1 101 101 ALA H H 101 7.649 7.649 7.859 -0.210 25703 8455 1 15 . 1 1 102 102 ASN N N 102 114.293 114.293 116.135 -1.842 25703 8456 1 15 . 1 1 102 102 ASN HA H 102 4.753 4.753 4.618 0.135 25703 8457 1 15 . 1 1 102 102 ASN C C 102 172.210 172.210 176.119 -3.909 25703 8458 1 15 . 1 1 102 102 ASN CA C 102 54.809 54.809 53.978 0.830 25703 8459 1 15 . 1 1 102 102 ASN CB C 102 43.388 43.388 39.532 3.856 25703 8460 1 15 . 1 1 102 102 ASN H H 102 7.110 7.110 7.972 -0.862 25703 8461 1 16 . 1 1 2 2 VAL N N 2 125.982 125.982 120.274 5.708 25703 8462 1 16 . 1 1 2 2 VAL HA H 2 4.054 4.054 4.445 -0.391 25703 8463 1 16 . 1 1 2 2 VAL CA C 2 61.397 61.397 60.558 0.839 25703 8464 1 16 . 1 1 2 2 VAL CB C 2 32.844 32.844 33.718 -0.874 25703 8465 1 16 . 1 1 2 2 VAL H H 2 8.576 8.576 8.208 0.368 25703 8466 1 16 . 1 1 3 3 THR N N 3 126.926 126.926 121.155 5.771 25703 8467 1 16 . 1 1 3 3 THR HA H 3 4.120 4.120 4.564 -0.444 25703 8468 1 16 . 1 1 3 3 THR C C 3 172.671 172.671 173.336 -0.665 25703 8469 1 16 . 1 1 3 3 THR CA C 3 64.010 64.010 61.857 2.153 25703 8470 1 16 . 1 1 3 3 THR CB C 3 70.030 70.030 70.343 -0.313 25703 8471 1 16 . 1 1 3 3 THR H H 3 7.787 7.787 8.233 -0.446 25703 8472 1 16 . 1 1 4 4 GLN N N 4 128.743 128.743 122.849 5.894 25703 8473 1 16 . 1 1 4 4 GLN HA H 4 4.726 4.726 5.216 -0.490 25703 8474 1 16 . 1 1 4 4 GLN C C 4 176.254 176.254 175.387 0.867 25703 8475 1 16 . 1 1 4 4 GLN CA C 4 54.925 54.925 54.158 0.767 25703 8476 1 16 . 1 1 4 4 GLN CB C 4 30.039 30.039 30.077 -0.038 25703 8477 1 16 . 1 1 4 4 GLN H H 4 8.976 8.976 8.322 0.654 25703 8478 1 16 . 1 1 5 5 PHE N N 5 127.295 127.295 122.983 4.312 25703 8479 1 16 . 1 1 5 5 PHE HA H 5 4.793 4.793 4.601 0.192 25703 8480 1 16 . 1 1 5 5 PHE C C 5 175.627 175.627 176.785 -1.158 25703 8481 1 16 . 1 1 5 5 PHE CA C 5 59.080 59.080 56.269 2.811 25703 8482 1 16 . 1 1 5 5 PHE CB C 5 41.083 41.083 40.152 0.931 25703 8483 1 16 . 1 1 5 5 PHE H H 5 8.434 8.434 7.783 0.651 25703 8484 1 16 . 1 1 6 6 LYS N N 6 120.464 120.464 120.689 -0.225 25703 8485 1 16 . 1 1 6 6 LYS HA H 6 4.623 4.623 4.327 0.296 25703 8486 1 16 . 1 1 6 6 LYS C C 6 176.504 176.504 176.010 0.494 25703 8487 1 16 . 1 1 6 6 LYS CA C 6 56.526 56.526 57.238 -0.712 25703 8488 1 16 . 1 1 6 6 LYS CB C 6 34.660 34.660 32.938 1.722 25703 8489 1 16 . 1 1 6 6 LYS H H 6 9.821 9.821 8.666 1.155 25703 8490 1 16 . 1 1 7 7 THR N N 7 108.286 108.286 109.225 -0.939 25703 8491 1 16 . 1 1 7 7 THR HA H 7 4.738 4.738 4.620 0.118 25703 8492 1 16 . 1 1 7 7 THR C C 7 173.410 173.410 174.829 -1.419 25703 8493 1 16 . 1 1 7 7 THR CA C 7 59.287 59.287 59.965 -0.679 25703 8494 1 16 . 1 1 7 7 THR CB C 7 73.138 73.138 72.099 1.039 25703 8495 1 16 . 1 1 7 7 THR H H 7 7.467 7.467 7.440 0.027 25703 8496 1 16 . 1 1 8 8 ALA N N 8 125.007 125.007 126.412 -1.405 25703 8497 1 16 . 1 1 8 8 ALA HA H 8 3.705 3.705 4.033 -0.328 25703 8498 1 16 . 1 1 8 8 ALA C C 8 178.859 178.859 179.892 -1.033 25703 8499 1 16 . 1 1 8 8 ALA CA C 8 55.453 55.453 55.468 -0.015 25703 8500 1 16 . 1 1 8 8 ALA CB C 8 18.689 18.689 18.421 0.268 25703 8501 1 16 . 1 1 8 8 ALA H H 8 9.038 9.038 8.861 0.177 25703 8502 1 16 . 1 1 9 9 SER N N 9 113.408 113.408 112.833 0.575 25703 8503 1 16 . 1 1 9 9 SER HA H 9 4.124 4.124 4.067 0.057 25703 8504 1 16 . 1 1 9 9 SER C C 9 176.575 176.575 176.470 0.105 25703 8505 1 16 . 1 1 9 9 SER CA C 9 61.528 61.528 61.741 -0.213 25703 8506 1 16 . 1 1 9 9 SER CB C 9 62.703 62.703 62.675 0.028 25703 8507 1 16 . 1 1 9 9 SER H H 9 8.159 8.159 8.543 -0.384 25703 8508 1 16 . 1 1 10 10 GLU N N 10 123.005 123.005 121.368 1.637 25703 8509 1 16 . 1 1 10 10 GLU HA H 10 3.853 3.853 3.698 0.155 25703 8510 1 16 . 1 1 10 10 GLU C C 10 178.294 178.294 178.107 0.187 25703 8511 1 16 . 1 1 10 10 GLU CA C 10 59.266 59.266 58.783 0.483 25703 8512 1 16 . 1 1 10 10 GLU CB C 10 31.536 31.536 28.901 2.635 25703 8513 1 16 . 1 1 10 10 GLU H H 10 7.552 7.552 7.392 0.160 25703 8514 1 16 . 1 1 11 11 PHE N N 11 121.633 121.633 120.008 1.625 25703 8515 1 16 . 1 1 11 11 PHE HA H 11 2.864 2.864 3.545 -0.681 25703 8516 1 16 . 1 1 11 11 PHE C C 11 176.786 176.786 176.903 -0.117 25703 8517 1 16 . 1 1 11 11 PHE CA C 11 61.182 61.182 60.857 0.325 25703 8518 1 16 . 1 1 11 11 PHE CB C 11 38.202 38.202 39.077 -0.875 25703 8519 1 16 . 1 1 11 11 PHE H H 11 6.632 6.632 7.499 -0.867 25703 8520 1 16 . 1 1 12 12 ASP N N 12 118.991 118.991 119.076 -0.085 25703 8521 1 16 . 1 1 12 12 ASP HA H 12 3.841 3.841 3.793 0.048 25703 8522 1 16 . 1 1 12 12 ASP C C 12 178.286 178.286 178.431 -0.145 25703 8523 1 16 . 1 1 12 12 ASP CA C 12 57.547 57.547 57.444 0.103 25703 8524 1 16 . 1 1 12 12 ASP CB C 12 40.790 40.790 40.499 0.291 25703 8525 1 16 . 1 1 12 12 ASP H H 12 7.687 7.687 8.688 -1.001 25703 8526 1 16 . 1 1 13 13 SER N N 13 112.966 112.966 115.361 -2.395 25703 8527 1 16 . 1 1 13 13 SER HA H 13 4.022 4.022 4.064 -0.042 25703 8528 1 16 . 1 1 13 13 SER C C 13 175.827 175.827 176.050 -0.223 25703 8529 1 16 . 1 1 13 13 SER CA C 13 61.410 61.410 61.479 -0.069 25703 8530 1 16 . 1 1 13 13 SER CB C 13 63.499 63.499 62.999 0.500 25703 8531 1 16 . 1 1 13 13 SER H H 13 7.563 7.563 7.739 -0.176 25703 8532 1 16 . 1 1 14 14 ALA N N 14 124.823 124.823 123.564 1.259 25703 8533 1 16 . 1 1 14 14 ALA HA H 14 4.025 4.025 4.004 0.021 25703 8534 1 16 . 1 1 14 14 ALA C C 14 179.909 179.909 179.785 0.124 25703 8535 1 16 . 1 1 14 14 ALA CA C 14 54.710 54.710 54.780 -0.070 25703 8536 1 16 . 1 1 14 14 ALA CB C 14 19.286 19.286 18.617 0.669 25703 8537 1 16 . 1 1 14 14 ALA H H 14 7.671 7.671 7.380 0.291 25703 8538 1 16 . 1 1 15 15 ILE N N 15 108.002 108.002 114.618 -6.616 25703 8539 1 16 . 1 1 15 15 ILE HA H 15 3.721 3.721 3.783 -0.062 25703 8540 1 16 . 1 1 15 15 ILE C C 15 175.512 175.512 177.022 -1.510 25703 8541 1 16 . 1 1 15 15 ILE CA C 15 64.058 64.058 63.969 0.088 25703 8542 1 16 . 1 1 15 15 ILE CB C 15 38.277 38.277 37.038 1.240 25703 8543 1 16 . 1 1 15 15 ILE H H 15 7.195 7.195 8.120 -0.925 25703 8544 1 16 . 1 1 16 16 ALA N N 16 123.051 123.051 121.072 1.979 25703 8545 1 16 . 1 1 16 16 ALA HA H 16 4.013 4.013 4.149 -0.136 25703 8546 1 16 . 1 1 16 16 ALA C C 16 176.636 176.636 178.253 -1.617 25703 8547 1 16 . 1 1 16 16 ALA CA C 16 52.318 52.318 52.571 -0.253 25703 8548 1 16 . 1 1 16 16 ALA CB C 16 18.956 18.956 18.593 0.363 25703 8549 1 16 . 1 1 16 16 ALA H H 16 6.623 6.623 7.351 -0.728 25703 8550 1 16 . 1 1 17 17 GLN N N 17 116.236 116.236 119.268 -3.032 25703 8551 1 16 . 1 1 17 17 GLN HA H 17 4.198 4.198 4.167 0.031 25703 8552 1 16 . 1 1 17 17 GLN C C 17 174.965 174.965 174.999 -0.034 25703 8553 1 16 . 1 1 17 17 GLN CA C 17 56.422 56.422 55.687 0.735 25703 8554 1 16 . 1 1 17 17 GLN CB C 17 34.338 34.338 29.272 5.066 25703 8555 1 16 . 1 1 17 17 GLN H H 17 7.140 7.140 7.507 -0.367 25703 8556 1 16 . 1 1 18 18 ASP N N 18 123.905 123.905 121.421 2.484 25703 8557 1 16 . 1 1 18 18 ASP HA H 18 4.998 4.998 4.821 0.177 25703 8558 1 16 . 1 1 18 18 ASP C C 18 174.817 174.817 175.519 -0.702 25703 8559 1 16 . 1 1 18 18 ASP CB C 18 39.414 39.414 39.771 -0.357 25703 8560 1 16 . 1 1 18 18 ASP H H 18 8.651 8.651 8.682 -0.031 25703 8561 1 16 . 1 1 19 19 LYS N N 19 119.499 119.499 116.070 3.429 25703 8562 1 16 . 1 1 19 19 LYS HA H 19 4.384 4.384 4.522 -0.138 25703 8563 1 16 . 1 1 19 19 LYS C C 19 172.740 172.740 174.888 -2.148 25703 8564 1 16 . 1 1 19 19 LYS CA C 19 55.163 55.163 54.142 1.021 25703 8565 1 16 . 1 1 19 19 LYS CB C 19 34.721 34.721 35.411 -0.690 25703 8566 1 16 . 1 1 19 19 LYS H H 19 7.950 7.950 7.577 0.373 25703 8567 1 16 . 1 1 20 20 LEU N N 20 121.877 121.877 123.973 -2.096 25703 8568 1 16 . 1 1 20 20 LEU HA H 20 4.972 4.972 4.724 0.248 25703 8569 1 16 . 1 1 20 20 LEU C C 20 173.937 173.937 175.372 -1.435 25703 8570 1 16 . 1 1 20 20 LEU CA C 20 57.132 57.132 54.981 2.151 25703 8571 1 16 . 1 1 20 20 LEU CB C 20 42.012 42.012 40.974 1.038 25703 8572 1 16 . 1 1 20 20 LEU H H 20 8.641 8.641 8.820 -0.179 25703 8573 1 16 . 1 1 21 21 VAL N N 21 129.812 129.812 129.003 0.809 25703 8574 1 16 . 1 1 21 21 VAL HA H 21 4.439 4.439 4.619 -0.180 25703 8575 1 16 . 1 1 21 21 VAL C C 21 173.493 173.493 174.519 -1.026 25703 8576 1 16 . 1 1 21 21 VAL CA C 21 62.510 62.510 61.821 0.689 25703 8577 1 16 . 1 1 21 21 VAL CB C 21 34.732 34.732 33.681 1.051 25703 8578 1 16 . 1 1 21 21 VAL H H 21 9.263 9.263 9.042 0.221 25703 8579 1 16 . 1 1 22 22 VAL N N 22 131.684 131.684 129.904 1.780 25703 8580 1 16 . 1 1 22 22 VAL HA H 22 4.408 4.408 5.201 -0.793 25703 8581 1 16 . 1 1 22 22 VAL C C 22 174.331 174.331 174.234 0.097 25703 8582 1 16 . 1 1 22 22 VAL CA C 22 61.561 61.561 60.096 1.465 25703 8583 1 16 . 1 1 22 22 VAL CB C 22 33.630 33.630 33.921 -0.291 25703 8584 1 16 . 1 1 22 22 VAL H H 22 9.006 9.006 8.926 0.080 25703 8585 1 16 . 1 1 23 23 VAL N N 23 126.475 126.475 130.832 -4.357 25703 8586 1 16 . 1 1 23 23 VAL HA H 23 4.422 4.422 5.173 -0.751 25703 8587 1 16 . 1 1 23 23 VAL C C 23 174.342 174.342 174.298 0.044 25703 8588 1 16 . 1 1 23 23 VAL CA C 23 61.672 61.672 59.689 1.983 25703 8589 1 16 . 1 1 23 23 VAL CB C 23 34.042 34.042 34.590 -0.548 25703 8590 1 16 . 1 1 23 23 VAL H H 23 9.551 9.551 8.320 1.231 25703 8591 1 16 . 1 1 24 24 ALA N N 24 131.649 131.649 127.159 4.490 25703 8592 1 16 . 1 1 24 24 ALA HA H 24 4.953 4.953 5.572 -0.619 25703 8593 1 16 . 1 1 24 24 ALA C C 24 174.683 174.683 176.756 -2.073 25703 8594 1 16 . 1 1 24 24 ALA CA C 24 51.712 51.712 49.578 2.135 25703 8595 1 16 . 1 1 24 24 ALA CB C 24 20.149 20.149 22.194 -2.045 25703 8596 1 16 . 1 1 24 24 ALA H H 24 8.991 8.991 8.365 0.626 25703 8597 1 16 . 1 1 25 25 PHE N N 25 124.535 124.535 125.140 -0.605 25703 8598 1 16 . 1 1 25 25 PHE HA H 25 5.002 5.002 4.442 0.560 25703 8599 1 16 . 1 1 25 25 PHE C C 25 174.231 174.231 174.519 -0.288 25703 8600 1 16 . 1 1 25 25 PHE CA C 25 58.196 58.196 59.485 -1.289 25703 8601 1 16 . 1 1 25 25 PHE CB C 25 40.231 40.231 38.710 1.521 25703 8602 1 16 . 1 1 25 25 PHE H H 25 9.231 9.231 8.559 0.672 25703 8603 1 16 . 1 1 26 26 TYR N N 26 121.986 121.986 123.230 -1.244 25703 8604 1 16 . 1 1 26 26 TYR HA H 26 5.112 5.112 4.803 0.309 25703 8605 1 16 . 1 1 26 26 TYR C C 26 170.727 170.727 174.567 -3.840 25703 8606 1 16 . 1 1 26 26 TYR CA C 26 55.240 55.240 54.949 0.291 25703 8607 1 16 . 1 1 26 26 TYR CB C 26 43.023 43.023 43.007 0.016 25703 8608 1 16 . 1 1 26 26 TYR H H 26 8.869 8.869 9.109 -0.240 25703 8609 1 16 . 1 1 27 27 ALA N N 27 117.474 117.474 119.645 -2.171 25703 8610 1 16 . 1 1 27 27 ALA HA H 27 4.329 4.329 4.366 -0.037 25703 8611 1 16 . 1 1 27 27 ALA C C 27 178.755 178.755 176.339 2.416 25703 8612 1 16 . 1 1 27 27 ALA CA C 27 50.966 50.966 51.157 -0.191 25703 8613 1 16 . 1 1 27 27 ALA CB C 27 22.735 22.735 20.884 1.851 25703 8614 1 16 . 1 1 27 27 ALA H H 27 6.235 6.235 7.991 -1.756 25703 8615 1 16 . 1 1 28 28 THR N N 28 119.624 119.624 112.941 6.683 25703 8616 1 16 . 1 1 28 28 THR HA H 28 3.907 3.907 4.146 -0.239 25703 8617 1 16 . 1 1 28 28 THR C C 28 174.360 174.360 173.720 0.640 25703 8618 1 16 . 1 1 28 28 THR CA C 28 65.865 65.865 63.897 1.968 25703 8619 1 16 . 1 1 28 28 THR CB C 28 69.336 69.336 68.684 0.652 25703 8620 1 16 . 1 1 28 28 THR H H 28 10.381 10.381 7.825 2.556 25703 8621 1 16 . 1 1 29 29 TRP N N 29 115.983 115.983 121.421 -5.438 25703 8622 1 16 . 1 1 29 29 TRP HA H 29 4.590 4.590 4.972 -0.382 25703 8623 1 16 . 1 1 29 29 TRP CA C 29 53.924 53.924 53.955 -0.031 25703 8624 1 16 . 1 1 29 29 TRP CB C 29 29.460 29.460 27.874 1.586 25703 8625 1 16 . 1 1 29 29 TRP H H 29 6.472 6.472 6.660 -0.188 25703 8626 1 16 . 1 1 30 30 CYS HA H 30 3.857 3.857 4.900 -1.043 25703 8627 1 16 . 1 1 30 30 CYS CA C 30 58.536 58.536 58.000 0.536 25703 8628 1 16 . 1 1 30 30 CYS CB C 30 37.005 37.005 30.089 6.916 25703 8629 1 16 . 1 1 31 31 GLY CA C 31 48.989 48.989 47.519 1.470 25703 8630 1 16 . 1 1 32 32 PRO HA H 32 4.398 4.398 4.326 0.072 25703 8631 1 16 . 1 1 32 32 PRO C C 32 177.189 177.189 178.447 -1.258 25703 8632 1 16 . 1 1 32 32 PRO CA C 32 65.366 65.366 65.028 0.339 25703 8633 1 16 . 1 1 32 32 PRO CB C 32 32.289 32.289 30.969 1.320 25703 8634 1 16 . 1 1 33 33 CYS N N 33 111.468 111.468 115.350 -3.882 25703 8635 1 16 . 1 1 33 33 CYS HA H 33 4.223 4.223 3.749 0.474 25703 8636 1 16 . 1 1 33 33 CYS CA C 33 65.801 65.801 61.989 3.812 25703 8637 1 16 . 1 1 33 33 CYS CB C 33 34.949 34.949 26.230 8.719 25703 8638 1 16 . 1 1 33 33 CYS H H 33 7.991 7.991 8.425 -0.434 25703 8639 1 16 . 1 1 34 34 LYS HA H 34 3.968 3.968 3.992 -0.024 25703 8640 1 16 . 1 1 34 34 LYS C C 34 178.052 178.052 178.592 -0.540 25703 8641 1 16 . 1 1 34 34 LYS CA C 34 59.661 59.661 58.902 0.759 25703 8642 1 16 . 1 1 34 34 LYS CB C 34 32.513 32.513 32.258 0.255 25703 8643 1 16 . 1 1 35 35 MET N N 35 117.236 117.236 116.988 0.248 25703 8644 1 16 . 1 1 35 35 MET HA H 35 4.194 4.194 4.287 -0.093 25703 8645 1 16 . 1 1 35 35 MET C C 35 177.451 177.451 178.456 -1.005 25703 8646 1 16 . 1 1 35 35 MET CA C 35 57.938 57.938 58.532 -0.594 25703 8647 1 16 . 1 1 35 35 MET CB C 35 32.628 32.628 33.168 -0.540 25703 8648 1 16 . 1 1 35 35 MET H H 35 7.326 7.326 7.661 -0.335 25703 8649 1 16 . 1 1 36 36 ILE N N 36 113.758 113.758 118.164 -4.406 25703 8650 1 16 . 1 1 36 36 ILE HA H 36 4.345 4.345 4.079 0.266 25703 8651 1 16 . 1 1 36 36 ILE C C 36 176.183 176.183 176.517 -0.334 25703 8652 1 16 . 1 1 36 36 ILE CA C 36 60.656 60.656 62.121 -1.465 25703 8653 1 16 . 1 1 36 36 ILE CB C 36 39.657 39.657 36.866 2.791 25703 8654 1 16 . 1 1 36 36 ILE H H 36 7.315 7.315 8.522 -1.207 25703 8655 1 16 . 1 1 37 37 ALA N N 37 126.738 126.738 125.040 1.698 25703 8656 1 16 . 1 1 37 37 ALA HA H 37 4.095 4.095 4.224 -0.129 25703 8657 1 16 . 1 1 37 37 ALA CA C 37 57.562 57.562 57.088 0.474 25703 8658 1 16 . 1 1 37 37 ALA CB C 37 15.912 15.912 16.220 -0.308 25703 8659 1 16 . 1 1 37 37 ALA H H 37 7.447 7.447 7.673 -0.226 25703 8660 1 16 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.297 -0.027 25703 8661 1 16 . 1 1 38 38 PRO C C 38 178.922 178.922 178.774 0.148 25703 8662 1 16 . 1 1 38 38 PRO CA C 38 65.743 65.743 65.568 0.175 25703 8663 1 16 . 1 1 38 38 PRO CB C 38 31.224 31.224 31.338 -0.114 25703 8664 1 16 . 1 1 39 39 MET N N 39 118.310 118.310 118.144 0.166 25703 8665 1 16 . 1 1 39 39 MET HA H 39 3.859 3.859 4.339 -0.480 25703 8666 1 16 . 1 1 39 39 MET C C 39 174.441 174.441 179.048 -4.607 25703 8667 1 16 . 1 1 39 39 MET CA C 39 58.390 58.390 57.789 0.601 25703 8668 1 16 . 1 1 39 39 MET CB C 39 31.394 31.394 31.513 -0.119 25703 8669 1 16 . 1 1 39 39 MET H H 39 7.063 7.063 7.356 -0.293 25703 8670 1 16 . 1 1 40 40 ILE N N 40 119.013 119.013 120.769 -1.756 25703 8671 1 16 . 1 1 40 40 ILE HA H 40 3.595 3.595 3.972 -0.377 25703 8672 1 16 . 1 1 40 40 ILE C C 40 177.267 177.267 177.864 -0.597 25703 8673 1 16 . 1 1 40 40 ILE CA C 40 64.393 64.393 65.468 -1.075 25703 8674 1 16 . 1 1 40 40 ILE CB C 40 36.259 36.259 37.728 -1.470 25703 8675 1 16 . 1 1 40 40 ILE H H 40 7.752 7.752 9.081 -1.329 25703 8676 1 16 . 1 1 41 41 GLU N N 41 119.530 119.530 119.607 -0.077 25703 8677 1 16 . 1 1 41 41 GLU HA H 41 3.572 3.572 3.901 -0.329 25703 8678 1 16 . 1 1 41 41 GLU C C 41 179.597 179.597 179.162 0.435 25703 8679 1 16 . 1 1 41 41 GLU CA C 41 59.878 59.878 59.553 0.325 25703 8680 1 16 . 1 1 41 41 GLU CB C 41 29.900 29.900 29.492 0.408 25703 8681 1 16 . 1 1 41 41 GLU H H 41 7.442 7.442 7.776 -0.334 25703 8682 1 16 . 1 1 42 42 LYS N N 42 122.053 122.053 120.822 1.231 25703 8683 1 16 . 1 1 42 42 LYS HA H 42 3.932 3.932 3.971 -0.039 25703 8684 1 16 . 1 1 42 42 LYS C C 42 179.390 179.390 178.805 0.585 25703 8685 1 16 . 1 1 42 42 LYS CA C 42 59.532 59.532 59.273 0.259 25703 8686 1 16 . 1 1 42 42 LYS CB C 42 31.281 31.281 32.076 -0.795 25703 8687 1 16 . 1 1 42 42 LYS H H 42 7.428 7.428 7.615 -0.187 25703 8688 1 16 . 1 1 43 43 PHE N N 43 120.250 120.250 117.357 2.893 25703 8689 1 16 . 1 1 43 43 PHE HA H 43 4.639 4.639 4.078 0.561 25703 8690 1 16 . 1 1 43 43 PHE C C 43 177.337 177.337 176.404 0.933 25703 8691 1 16 . 1 1 43 43 PHE CA C 43 59.331 59.331 60.686 -1.355 25703 8692 1 16 . 1 1 43 43 PHE CB C 43 37.737 37.737 38.735 -0.998 25703 8693 1 16 . 1 1 43 43 PHE H H 43 8.337 8.337 8.488 -0.151 25703 8694 1 16 . 1 1 44 44 SER N N 44 117.203 117.203 112.197 5.006 25703 8695 1 16 . 1 1 44 44 SER HA H 44 2.967 2.967 3.970 -1.002 25703 8696 1 16 . 1 1 44 44 SER C C 44 174.934 174.934 175.694 -0.760 25703 8697 1 16 . 1 1 44 44 SER CA C 44 61.159 61.159 60.413 0.746 25703 8698 1 16 . 1 1 44 44 SER CB C 44 62.353 62.353 63.311 -0.958 25703 8699 1 16 . 1 1 44 44 SER H H 44 7.754 7.754 7.817 -0.063 25703 8700 1 16 . 1 1 45 45 GLU N N 45 121.664 121.664 120.993 0.671 25703 8701 1 16 . 1 1 45 45 GLU HA H 45 4.049 4.049 4.202 -0.153 25703 8702 1 16 . 1 1 45 45 GLU C C 45 177.360 177.360 177.102 0.258 25703 8703 1 16 . 1 1 45 45 GLU CA C 45 57.739 57.739 58.084 -0.346 25703 8704 1 16 . 1 1 45 45 GLU CB C 45 30.191 30.191 30.035 0.156 25703 8705 1 16 . 1 1 45 45 GLU H H 45 6.884 6.884 7.697 -0.813 25703 8706 1 16 . 1 1 46 46 GLN N N 46 118.766 118.766 116.147 2.619 25703 8707 1 16 . 1 1 46 46 GLN HA H 46 3.948 3.948 4.332 -0.384 25703 8708 1 16 . 1 1 46 46 GLN C C 46 177.431 177.431 175.726 1.705 25703 8709 1 16 . 1 1 46 46 GLN CA C 46 58.372 58.372 55.252 3.120 25703 8710 1 16 . 1 1 46 46 GLN CB C 46 30.160 30.160 28.745 1.415 25703 8711 1 16 . 1 1 46 46 GLN H H 46 7.551 7.551 7.106 0.445 25703 8712 1 16 . 1 1 47 47 TYR N N 47 117.012 117.012 120.337 -3.325 25703 8713 1 16 . 1 1 47 47 TYR HA H 47 4.971 4.971 4.708 0.263 25703 8714 1 16 . 1 1 47 47 TYR CA C 47 56.523 56.523 53.270 3.253 25703 8715 1 16 . 1 1 47 47 TYR CB C 47 38.479 38.479 37.576 0.903 25703 8716 1 16 . 1 1 47 47 TYR H H 47 7.426 7.426 7.342 0.084 25703 8717 1 16 . 1 1 48 48 PRO HA H 48 4.388 4.388 4.368 0.020 25703 8718 1 16 . 1 1 48 48 PRO C C 48 176.927 176.927 177.388 -0.461 25703 8719 1 16 . 1 1 48 48 PRO CA C 48 65.425 65.425 64.318 1.107 25703 8720 1 16 . 1 1 48 48 PRO CB C 48 32.619 32.619 32.182 0.437 25703 8721 1 16 . 1 1 49 49 GLN N N 49 120.194 120.194 116.061 4.133 25703 8722 1 16 . 1 1 49 49 GLN HA H 49 4.369 4.369 4.468 -0.099 25703 8723 1 16 . 1 1 49 49 GLN C C 49 174.438 174.438 174.847 -0.409 25703 8724 1 16 . 1 1 49 49 GLN CA C 49 56.832 56.832 55.381 1.451 25703 8725 1 16 . 1 1 49 49 GLN CB C 49 28.164 28.164 29.010 -0.846 25703 8726 1 16 . 1 1 49 49 GLN H H 49 9.624 9.624 8.519 1.105 25703 8727 1 16 . 1 1 50 50 ALA N N 50 128.180 128.180 123.072 5.108 25703 8728 1 16 . 1 1 50 50 ALA HA H 50 5.048 5.048 4.603 0.445 25703 8729 1 16 . 1 1 50 50 ALA C C 50 174.685 174.685 176.525 -1.840 25703 8730 1 16 . 1 1 50 50 ALA CA C 50 50.518 50.518 50.644 -0.126 25703 8731 1 16 . 1 1 50 50 ALA CB C 50 22.754 22.754 20.516 2.238 25703 8732 1 16 . 1 1 50 50 ALA H H 50 8.179 8.179 7.602 0.577 25703 8733 1 16 . 1 1 51 51 ASP N N 51 121.032 121.032 121.957 -0.925 25703 8734 1 16 . 1 1 51 51 ASP HA H 51 5.102 5.102 4.787 0.315 25703 8735 1 16 . 1 1 51 51 ASP C C 51 174.171 174.171 174.461 -0.290 25703 8736 1 16 . 1 1 51 51 ASP CA C 51 53.515 53.515 54.069 -0.554 25703 8737 1 16 . 1 1 51 51 ASP CB C 51 44.782 44.782 43.460 1.322 25703 8738 1 16 . 1 1 51 51 ASP H H 51 8.435 8.435 8.410 0.025 25703 8739 1 16 . 1 1 52 52 PHE N N 52 121.696 121.696 122.753 -1.057 25703 8740 1 16 . 1 1 52 52 PHE HA H 52 5.172 5.172 5.193 -0.021 25703 8741 1 16 . 1 1 52 52 PHE C C 52 174.110 174.110 173.460 0.650 25703 8742 1 16 . 1 1 52 52 PHE CA C 52 57.189 57.189 55.003 2.186 25703 8743 1 16 . 1 1 52 52 PHE CB C 52 42.291 42.291 41.507 0.784 25703 8744 1 16 . 1 1 52 52 PHE H H 52 8.983 8.983 8.518 0.465 25703 8745 1 16 . 1 1 53 53 TYR N N 53 122.042 122.042 123.933 -1.891 25703 8746 1 16 . 1 1 53 53 TYR HA H 53 5.495 5.495 5.098 0.397 25703 8747 1 16 . 1 1 53 53 TYR C C 53 174.002 174.002 174.720 -0.718 25703 8748 1 16 . 1 1 53 53 TYR CA C 53 56.214 56.214 55.696 0.518 25703 8749 1 16 . 1 1 53 53 TYR CB C 53 46.407 46.407 42.035 4.372 25703 8750 1 16 . 1 1 53 53 TYR H H 53 9.362 9.362 9.247 0.115 25703 8751 1 16 . 1 1 54 54 LYS N N 54 116.808 116.808 120.224 -3.416 25703 8752 1 16 . 1 1 54 54 LYS HA H 54 5.505 5.505 4.596 0.909 25703 8753 1 16 . 1 1 54 54 LYS C C 54 172.792 172.792 174.714 -1.922 25703 8754 1 16 . 1 1 54 54 LYS CA C 54 53.943 53.943 53.901 0.042 25703 8755 1 16 . 1 1 54 54 LYS CB C 54 36.950 36.950 34.886 2.063 25703 8756 1 16 . 1 1 54 54 LYS H H 54 8.463 8.463 8.729 -0.266 25703 8757 1 16 . 1 1 55 55 LEU N N 55 123.826 123.826 121.963 1.863 25703 8758 1 16 . 1 1 55 55 LEU HA H 55 4.472 4.472 4.475 -0.003 25703 8759 1 16 . 1 1 55 55 LEU C C 55 171.652 171.652 175.599 -3.947 25703 8760 1 16 . 1 1 55 55 LEU CA C 55 55.906 55.906 53.557 2.349 25703 8761 1 16 . 1 1 55 55 LEU CB C 55 46.528 46.528 44.147 2.381 25703 8762 1 16 . 1 1 55 55 LEU H H 55 8.688 8.688 8.851 -0.163 25703 8763 1 16 . 1 1 56 56 ASP N N 56 127.169 127.169 123.611 3.558 25703 8764 1 16 . 1 1 56 56 ASP HA H 56 4.130 4.130 4.676 -0.546 25703 8765 1 16 . 1 1 56 56 ASP C C 56 177.692 177.692 176.931 0.761 25703 8766 1 16 . 1 1 56 56 ASP CA C 56 54.074 54.074 54.928 -0.854 25703 8767 1 16 . 1 1 56 56 ASP CB C 56 41.388 41.388 41.016 0.372 25703 8768 1 16 . 1 1 56 56 ASP H H 56 8.595 8.595 8.948 -0.353 25703 8769 1 16 . 1 1 57 57 VAL N N 57 123.562 123.562 125.183 -1.621 25703 8770 1 16 . 1 1 57 57 VAL HA H 57 3.491 3.491 3.870 -0.379 25703 8771 1 16 . 1 1 57 57 VAL C C 57 175.413 175.413 175.807 -0.394 25703 8772 1 16 . 1 1 57 57 VAL CA C 57 65.095 65.095 64.899 0.196 25703 8773 1 16 . 1 1 57 57 VAL CB C 57 31.658 31.658 31.932 -0.274 25703 8774 1 16 . 1 1 57 57 VAL H H 57 8.712 8.712 8.881 -0.169 25703 8775 1 16 . 1 1 58 58 ASP N N 58 120.070 120.070 115.989 4.081 25703 8776 1 16 . 1 1 58 58 ASP HA H 58 4.827 4.827 4.600 0.227 25703 8777 1 16 . 1 1 58 58 ASP C C 58 177.131 177.131 177.547 -0.416 25703 8778 1 16 . 1 1 58 58 ASP CA C 58 57.693 57.693 56.455 1.238 25703 8779 1 16 . 1 1 58 58 ASP CB C 58 40.827 40.827 40.649 0.178 25703 8780 1 16 . 1 1 58 58 ASP H H 58 8.670 8.670 8.506 0.164 25703 8781 1 16 . 1 1 59 59 GLU N N 59 120.889 120.889 119.056 1.833 25703 8782 1 16 . 1 1 59 59 GLU HA H 59 4.358 4.358 4.478 -0.120 25703 8783 1 16 . 1 1 59 59 GLU C C 59 176.606 176.606 177.863 -1.257 25703 8784 1 16 . 1 1 59 59 GLU CA C 59 57.881 57.881 56.595 1.286 25703 8785 1 16 . 1 1 59 59 GLU CB C 59 32.138 32.138 31.539 0.599 25703 8786 1 16 . 1 1 59 59 GLU H H 59 7.616 7.616 8.083 -0.467 25703 8787 1 16 . 1 1 60 60 LEU N N 60 122.457 122.457 121.739 0.718 25703 8788 1 16 . 1 1 60 60 LEU HA H 60 4.916 4.916 4.680 0.236 25703 8789 1 16 . 1 1 60 60 LEU C C 60 176.538 176.538 176.963 -0.425 25703 8790 1 16 . 1 1 60 60 LEU CA C 60 52.864 52.864 53.066 -0.202 25703 8791 1 16 . 1 1 60 60 LEU CB C 60 42.270 42.270 38.836 3.434 25703 8792 1 16 . 1 1 60 60 LEU H H 60 7.690 7.690 8.595 -0.905 25703 8793 1 16 . 1 1 61 61 GLY N N 61 112.065 112.065 109.678 2.387 25703 8794 1 16 . 1 1 61 61 GLY C C 61 175.917 175.917 175.365 0.552 25703 8795 1 16 . 1 1 61 61 GLY CA C 61 48.760 48.760 46.849 1.911 25703 8796 1 16 . 1 1 61 61 GLY H H 61 8.267 8.267 7.771 0.496 25703 8797 1 16 . 1 1 62 62 ASP N N 62 120.904 120.904 120.555 0.349 25703 8798 1 16 . 1 1 62 62 ASP HA H 62 4.302 4.302 4.506 -0.204 25703 8799 1 16 . 1 1 62 62 ASP C C 62 178.355 178.355 178.108 0.247 25703 8800 1 16 . 1 1 62 62 ASP CA C 62 57.045 57.045 58.191 -1.146 25703 8801 1 16 . 1 1 62 62 ASP CB C 62 39.646 39.646 40.395 -0.749 25703 8802 1 16 . 1 1 62 62 ASP H H 62 9.155 9.155 8.183 0.972 25703 8803 1 16 . 1 1 63 63 VAL N N 63 121.465 121.465 119.410 2.055 25703 8804 1 16 . 1 1 63 63 VAL HA H 63 3.310 3.310 3.832 -0.522 25703 8805 1 16 . 1 1 63 63 VAL C C 63 178.724 178.724 177.086 1.638 25703 8806 1 16 . 1 1 63 63 VAL CA C 63 65.878 65.878 65.302 0.576 25703 8807 1 16 . 1 1 63 63 VAL CB C 63 31.718 31.718 31.334 0.384 25703 8808 1 16 . 1 1 63 63 VAL H H 63 7.263 7.263 7.869 -0.606 25703 8809 1 16 . 1 1 64 64 ALA N N 64 123.341 123.341 121.754 1.587 25703 8810 1 16 . 1 1 64 64 ALA HA H 64 3.774 3.774 3.503 0.271 25703 8811 1 16 . 1 1 64 64 ALA C C 64 177.984 177.984 179.436 -1.452 25703 8812 1 16 . 1 1 64 64 ALA CA C 64 56.326 56.326 55.097 1.229 25703 8813 1 16 . 1 1 64 64 ALA CB C 64 18.296 18.296 18.206 0.090 25703 8814 1 16 . 1 1 64 64 ALA H H 64 7.248 7.248 7.683 -0.435 25703 8815 1 16 . 1 1 65 65 GLN N N 65 118.749 118.749 117.634 1.115 25703 8816 1 16 . 1 1 65 65 GLN HA H 65 4.013 4.013 4.022 -0.009 25703 8817 1 16 . 1 1 65 65 GLN CA C 65 59.524 59.524 58.552 0.972 25703 8818 1 16 . 1 1 65 65 GLN CB C 65 28.802 28.802 28.753 0.049 25703 8819 1 16 . 1 1 65 65 GLN H H 65 8.276 8.276 8.041 0.235 25703 8820 1 16 . 1 1 66 66 LYS N N 66 120.950 120.950 120.933 0.017 25703 8821 1 16 . 1 1 66 66 LYS HA H 66 4.033 4.033 4.050 -0.017 25703 8822 1 16 . 1 1 66 66 LYS C C 66 176.439 176.439 178.155 -1.716 25703 8823 1 16 . 1 1 66 66 LYS CA C 66 59.276 59.276 59.069 0.207 25703 8824 1 16 . 1 1 66 66 LYS CB C 66 32.706 32.706 32.306 0.400 25703 8825 1 16 . 1 1 66 66 LYS H H 66 7.984 7.984 8.233 -0.249 25703 8826 1 16 . 1 1 67 67 ASN N N 67 115.512 115.512 114.309 1.203 25703 8827 1 16 . 1 1 67 67 ASN HA H 67 4.698 4.698 4.960 -0.262 25703 8828 1 16 . 1 1 67 67 ASN C C 67 171.075 171.075 173.822 -2.747 25703 8829 1 16 . 1 1 67 67 ASN CA C 67 54.555 54.555 53.346 1.209 25703 8830 1 16 . 1 1 67 67 ASN CB C 67 40.572 40.572 39.016 1.556 25703 8831 1 16 . 1 1 67 67 ASN H H 67 7.052 7.052 7.739 -0.687 25703 8832 1 16 . 1 1 68 68 GLU N N 68 115.540 115.540 116.263 -0.723 25703 8833 1 16 . 1 1 68 68 GLU HA H 68 3.724 3.724 3.884 -0.160 25703 8834 1 16 . 1 1 68 68 GLU C C 68 175.135 175.135 175.049 0.086 25703 8835 1 16 . 1 1 68 68 GLU CA C 68 57.472 57.472 56.973 0.499 25703 8836 1 16 . 1 1 68 68 GLU CB C 68 27.320 27.320 27.007 0.313 25703 8837 1 16 . 1 1 68 68 GLU H H 68 7.708 7.708 7.799 -0.091 25703 8838 1 16 . 1 1 69 69 VAL N N 69 121.037 121.037 119.540 1.497 25703 8839 1 16 . 1 1 69 69 VAL HA H 69 3.891 3.891 3.875 0.016 25703 8840 1 16 . 1 1 69 69 VAL C C 69 174.845 174.845 175.374 -0.529 25703 8841 1 16 . 1 1 69 69 VAL CA C 69 63.315 63.315 63.446 -0.131 25703 8842 1 16 . 1 1 69 69 VAL CB C 69 31.259 31.259 31.467 -0.208 25703 8843 1 16 . 1 1 69 69 VAL H H 69 7.786 7.786 8.412 -0.626 25703 8844 1 16 . 1 1 70 70 SER N N 70 123.071 123.071 123.465 -0.394 25703 8845 1 16 . 1 1 70 70 SER HA H 70 4.453 4.453 4.536 -0.083 25703 8846 1 16 . 1 1 70 70 SER C C 70 172.450 172.450 173.802 -1.352 25703 8847 1 16 . 1 1 70 70 SER CA C 70 58.194 58.194 58.446 -0.252 25703 8848 1 16 . 1 1 70 70 SER CB C 70 65.148 65.148 64.145 1.003 25703 8849 1 16 . 1 1 70 70 SER H H 70 8.556 8.556 8.798 -0.242 25703 8850 1 16 . 1 1 71 71 ALA N N 71 127.000 127.000 124.075 2.925 25703 8851 1 16 . 1 1 71 71 ALA HA H 71 4.554 4.554 4.814 -0.260 25703 8852 1 16 . 1 1 71 71 ALA C C 71 175.018 175.018 175.352 -0.334 25703 8853 1 16 . 1 1 71 71 ALA CA C 71 51.898 51.898 51.550 0.348 25703 8854 1 16 . 1 1 71 71 ALA CB C 71 21.560 21.560 20.534 1.026 25703 8855 1 16 . 1 1 71 71 ALA H H 71 7.884 7.884 8.030 -0.146 25703 8856 1 16 . 1 1 72 72 MET N N 72 120.240 120.240 115.942 4.298 25703 8857 1 16 . 1 1 72 72 MET HA H 72 4.827 4.827 5.023 -0.196 25703 8858 1 16 . 1 1 72 72 MET CA C 72 57.888 57.888 52.859 5.029 25703 8859 1 16 . 1 1 72 72 MET CB C 72 36.102 36.102 33.173 2.929 25703 8860 1 16 . 1 1 72 72 MET H H 72 8.664 8.664 8.220 0.444 25703 8861 1 16 . 1 1 73 73 PRO HA H 73 4.988 4.988 5.280 -0.292 25703 8862 1 16 . 1 1 73 73 PRO C C 73 175.162 175.162 176.858 -1.696 25703 8863 1 16 . 1 1 73 73 PRO CA C 73 64.042 64.042 62.260 1.782 25703 8864 1 16 . 1 1 73 73 PRO CB C 73 35.151 35.151 33.025 2.127 25703 8865 1 16 . 1 1 74 74 THR N N 74 114.942 114.942 117.181 -2.239 25703 8866 1 16 . 1 1 74 74 THR HA H 74 4.995 4.995 4.697 0.298 25703 8867 1 16 . 1 1 74 74 THR C C 74 170.891 170.891 173.111 -2.220 25703 8868 1 16 . 1 1 74 74 THR CA C 74 63.926 63.926 62.339 1.587 25703 8869 1 16 . 1 1 74 74 THR CB C 74 73.856 73.856 70.695 3.161 25703 8870 1 16 . 1 1 74 74 THR H H 74 7.490 7.490 8.398 -0.908 25703 8871 1 16 . 1 1 75 75 LEU N N 75 132.149 132.149 129.285 2.864 25703 8872 1 16 . 1 1 75 75 LEU HA H 75 5.493 5.493 5.004 0.489 25703 8873 1 16 . 1 1 75 75 LEU C C 75 174.331 174.331 174.640 -0.309 25703 8874 1 16 . 1 1 75 75 LEU CA C 75 53.852 53.852 54.064 -0.212 25703 8875 1 16 . 1 1 75 75 LEU CB C 75 45.160 45.160 42.360 2.800 25703 8876 1 16 . 1 1 75 75 LEU H H 75 9.427 9.427 9.108 0.319 25703 8877 1 16 . 1 1 76 76 LEU N N 76 124.814 124.814 125.316 -0.502 25703 8878 1 16 . 1 1 76 76 LEU HA H 76 4.932 4.932 4.780 0.152 25703 8879 1 16 . 1 1 76 76 LEU C C 76 173.732 173.732 175.558 -1.826 25703 8880 1 16 . 1 1 76 76 LEU CA C 76 54.032 54.032 53.709 0.323 25703 8881 1 16 . 1 1 76 76 LEU CB C 76 46.726 46.726 43.790 2.936 25703 8882 1 16 . 1 1 76 76 LEU H H 76 9.240 9.240 8.540 0.700 25703 8883 1 16 . 1 1 77 77 LEU N N 77 123.770 123.770 120.539 3.231 25703 8884 1 16 . 1 1 77 77 LEU HA H 77 5.251 5.251 5.003 0.248 25703 8885 1 16 . 1 1 77 77 LEU C C 77 174.442 174.442 176.038 -1.596 25703 8886 1 16 . 1 1 77 77 LEU CA C 77 55.087 55.087 53.979 1.108 25703 8887 1 16 . 1 1 77 77 LEU CB C 77 43.250 43.250 41.762 1.488 25703 8888 1 16 . 1 1 77 77 LEU H H 77 8.175 8.175 8.021 0.154 25703 8889 1 16 . 1 1 78 78 PHE N N 78 122.975 122.975 124.056 -1.081 25703 8890 1 16 . 1 1 78 78 PHE HA H 78 5.397 5.397 4.856 0.541 25703 8891 1 16 . 1 1 78 78 PHE C C 78 173.920 173.920 174.996 -1.076 25703 8892 1 16 . 1 1 78 78 PHE CA C 78 56.867 56.867 57.409 -0.542 25703 8893 1 16 . 1 1 78 78 PHE CB C 78 44.858 44.858 43.016 1.843 25703 8894 1 16 . 1 1 78 78 PHE H H 78 9.742 9.742 9.381 0.361 25703 8895 1 16 . 1 1 79 79 LYS N N 79 118.164 118.164 121.609 -3.445 25703 8896 1 16 . 1 1 79 79 LYS HA H 79 4.817 4.817 5.031 -0.214 25703 8897 1 16 . 1 1 79 79 LYS C C 79 177.194 177.194 176.133 1.061 25703 8898 1 16 . 1 1 79 79 LYS CA C 79 57.980 57.980 55.356 2.624 25703 8899 1 16 . 1 1 79 79 LYS CB C 79 37.031 37.031 34.627 2.404 25703 8900 1 16 . 1 1 79 79 LYS H H 79 8.745 8.745 8.709 0.036 25703 8901 1 16 . 1 1 80 80 ASN N N 80 126.660 126.660 123.998 2.662 25703 8902 1 16 . 1 1 80 80 ASN HA H 80 4.291 4.291 4.434 -0.143 25703 8903 1 16 . 1 1 80 80 ASN C C 80 174.868 174.868 175.168 -0.300 25703 8904 1 16 . 1 1 80 80 ASN CA C 80 54.925 54.925 54.214 0.711 25703 8905 1 16 . 1 1 80 80 ASN CB C 80 38.055 38.055 36.283 1.772 25703 8906 1 16 . 1 1 80 80 ASN H H 80 8.893 8.893 9.511 -0.618 25703 8907 1 16 . 1 1 81 81 GLY N N 81 103.991 103.991 104.159 -0.168 25703 8908 1 16 . 1 1 81 81 GLY C C 81 172.724 172.724 174.574 -1.850 25703 8909 1 16 . 1 1 81 81 GLY CA C 81 46.145 46.145 46.173 -0.028 25703 8910 1 16 . 1 1 81 81 GLY H H 81 8.639 8.639 8.836 -0.197 25703 8911 1 16 . 1 1 82 82 LYS N N 82 120.266 120.266 119.427 0.839 25703 8912 1 16 . 1 1 82 82 LYS HA H 82 4.937 4.937 4.556 0.381 25703 8913 1 16 . 1 1 82 82 LYS C C 82 174.364 174.364 175.243 -0.879 25703 8914 1 16 . 1 1 82 82 LYS CA C 82 55.602 55.602 55.170 0.432 25703 8915 1 16 . 1 1 82 82 LYS CB C 82 35.830 35.830 33.089 2.741 25703 8916 1 16 . 1 1 82 82 LYS H H 82 7.576 7.576 8.147 -0.571 25703 8917 1 16 . 1 1 83 83 GLU N N 83 126.445 126.445 116.245 10.200 25703 8918 1 16 . 1 1 83 83 GLU HA H 83 3.867 3.867 3.839 0.028 25703 8919 1 16 . 1 1 83 83 GLU C C 83 176.728 176.728 174.233 2.495 25703 8920 1 16 . 1 1 83 83 GLU CA C 83 57.345 57.345 57.410 -0.065 25703 8921 1 16 . 1 1 83 83 GLU CB C 83 30.927 30.927 28.799 2.128 25703 8922 1 16 . 1 1 83 83 GLU H H 83 8.819 8.819 7.979 0.840 25703 8923 1 16 . 1 1 84 84 VAL N N 84 123.147 123.147 118.137 5.010 25703 8924 1 16 . 1 1 84 84 VAL HA H 84 4.417 4.417 4.154 0.263 25703 8925 1 16 . 1 1 84 84 VAL C C 84 175.128 175.128 173.955 1.173 25703 8926 1 16 . 1 1 84 84 VAL CA C 84 61.453 61.453 61.914 -0.461 25703 8927 1 16 . 1 1 84 84 VAL CB C 84 33.692 33.692 33.726 -0.034 25703 8928 1 16 . 1 1 84 84 VAL H H 84 9.258 9.258 8.264 0.994 25703 8929 1 16 . 1 1 85 85 ALA N N 85 122.281 122.281 121.107 1.174 25703 8930 1 16 . 1 1 85 85 ALA HA H 85 4.414 4.414 4.591 -0.177 25703 8931 1 16 . 1 1 85 85 ALA C C 85 173.291 173.291 174.048 -0.757 25703 8932 1 16 . 1 1 85 85 ALA CA C 85 53.133 53.133 51.696 1.437 25703 8933 1 16 . 1 1 85 85 ALA CB C 85 22.544 22.544 21.440 1.104 25703 8934 1 16 . 1 1 85 85 ALA H H 85 7.573 7.573 7.636 -0.063 25703 8935 1 16 . 1 1 86 86 LYS N N 86 120.704 120.704 121.504 -0.800 25703 8936 1 16 . 1 1 86 86 LYS HA H 86 4.933 4.933 4.585 0.348 25703 8937 1 16 . 1 1 86 86 LYS C C 86 174.506 174.506 174.693 -0.187 25703 8938 1 16 . 1 1 86 86 LYS CA C 86 55.860 55.860 55.786 0.074 25703 8939 1 16 . 1 1 86 86 LYS CB C 86 35.979 35.979 34.932 1.047 25703 8940 1 16 . 1 1 86 86 LYS H H 86 8.014 8.014 8.301 -0.287 25703 8941 1 16 . 1 1 87 87 VAL N N 87 126.817 126.817 126.297 0.520 25703 8942 1 16 . 1 1 87 87 VAL HA H 87 4.276 4.276 4.566 -0.290 25703 8943 1 16 . 1 1 87 87 VAL C C 87 174.002 174.002 173.892 0.110 25703 8944 1 16 . 1 1 87 87 VAL CA C 87 62.070 62.070 61.325 0.744 25703 8945 1 16 . 1 1 87 87 VAL CB C 87 34.958 34.958 35.750 -0.792 25703 8946 1 16 . 1 1 87 87 VAL H H 87 9.186 9.186 8.974 0.212 25703 8947 1 16 . 1 1 88 88 VAL N N 88 129.683 129.683 125.359 4.324 25703 8948 1 16 . 1 1 88 88 VAL HA H 88 4.446 4.446 4.558 -0.112 25703 8949 1 16 . 1 1 88 88 VAL C C 88 175.594 175.594 174.461 1.133 25703 8950 1 16 . 1 1 88 88 VAL CA C 88 62.462 62.462 60.884 1.578 25703 8951 1 16 . 1 1 88 88 VAL CB C 88 33.275 33.275 32.312 0.963 25703 8952 1 16 . 1 1 88 88 VAL H H 88 9.026 9.026 8.487 0.539 25703 8953 1 16 . 1 1 89 89 GLY N N 89 114.918 114.918 116.071 -1.153 25703 8954 1 16 . 1 1 89 89 GLY CA C 89 44.014 44.014 45.819 -1.805 25703 8955 1 16 . 1 1 89 89 GLY H H 89 8.298 8.298 8.033 0.265 25703 8956 1 16 . 1 1 90 90 ALA HA H 90 4.227 4.227 4.006 0.221 25703 8957 1 16 . 1 1 90 90 ALA C C 90 174.279 174.279 176.146 -1.867 25703 8958 1 16 . 1 1 90 90 ALA CA C 90 50.915 50.915 53.200 -2.285 25703 8959 1 16 . 1 1 90 90 ALA CB C 90 18.480 18.480 18.345 0.135 25703 8960 1 16 . 1 1 91 91 ASN N N 91 121.022 121.022 118.338 2.684 25703 8961 1 16 . 1 1 91 91 ASN HA H 91 5.114 5.114 4.910 0.204 25703 8962 1 16 . 1 1 91 91 ASN CA C 91 50.500 50.500 50.543 -0.043 25703 8963 1 16 . 1 1 91 91 ASN CB C 91 39.514 39.514 38.324 1.190 25703 8964 1 16 . 1 1 91 91 ASN H H 91 7.360 7.360 8.290 -0.930 25703 8965 1 16 . 1 1 92 92 PRO HA H 92 4.116 4.116 4.218 -0.102 25703 8966 1 16 . 1 1 92 92 PRO CA C 92 63.392 63.392 64.950 -1.558 25703 8967 1 16 . 1 1 93 93 ALA HA H 93 4.074 4.074 4.268 -0.194 25703 8968 1 16 . 1 1 93 93 ALA C C 93 179.673 179.673 178.623 1.050 25703 8969 1 16 . 1 1 93 93 ALA CA C 93 55.353 55.353 53.847 1.506 25703 8970 1 16 . 1 1 93 93 ALA CB C 93 18.455 18.455 18.332 0.123 25703 8971 1 16 . 1 1 94 94 ALA N N 94 121.514 121.514 120.025 1.489 25703 8972 1 16 . 1 1 94 94 ALA HA H 94 4.064 4.064 4.173 -0.109 25703 8973 1 16 . 1 1 94 94 ALA C C 94 180.373 180.373 179.064 1.309 25703 8974 1 16 . 1 1 94 94 ALA CA C 94 55.418 55.418 53.852 1.566 25703 8975 1 16 . 1 1 94 94 ALA CB C 94 19.268 19.268 18.359 0.909 25703 8976 1 16 . 1 1 94 94 ALA H H 94 7.228 7.228 7.915 -0.687 25703 8977 1 16 . 1 1 95 95 ILE N N 95 120.330 120.330 119.989 0.341 25703 8978 1 16 . 1 1 95 95 ILE HA H 95 3.358 3.358 3.724 -0.366 25703 8979 1 16 . 1 1 95 95 ILE C C 95 175.639 175.639 176.871 -1.232 25703 8980 1 16 . 1 1 95 95 ILE CA C 95 66.564 66.564 62.879 3.685 25703 8981 1 16 . 1 1 95 95 ILE CB C 95 38.854 38.854 37.923 0.930 25703 8982 1 16 . 1 1 95 95 ILE H H 95 7.738 7.738 7.516 0.222 25703 8983 1 16 . 1 1 96 96 LYS N N 96 119.846 119.846 119.012 0.834 25703 8984 1 16 . 1 1 96 96 LYS HA H 96 3.144 3.144 3.989 -0.845 25703 8985 1 16 . 1 1 96 96 LYS C C 96 177.288 177.288 178.725 -1.437 25703 8986 1 16 . 1 1 96 96 LYS CA C 96 60.420 60.420 58.996 1.424 25703 8987 1 16 . 1 1 96 96 LYS CB C 96 32.612 32.612 31.733 0.879 25703 8988 1 16 . 1 1 96 96 LYS H H 96 8.087 8.087 7.326 0.761 25703 8989 1 16 . 1 1 97 97 GLN N N 97 116.484 116.484 119.295 -2.811 25703 8990 1 16 . 1 1 97 97 GLN HA H 97 3.848 3.848 4.058 -0.210 25703 8991 1 16 . 1 1 97 97 GLN C C 97 177.461 177.461 178.029 -0.568 25703 8992 1 16 . 1 1 97 97 GLN CA C 97 59.069 59.069 58.853 0.216 25703 8993 1 16 . 1 1 97 97 GLN CB C 97 28.799 28.799 28.415 0.384 25703 8994 1 16 . 1 1 97 97 GLN H H 97 7.700 7.700 7.575 0.125 25703 8995 1 16 . 1 1 98 98 ALA N N 98 121.852 121.852 121.346 0.506 25703 8996 1 16 . 1 1 98 98 ALA HA H 98 3.921 3.921 4.078 -0.157 25703 8997 1 16 . 1 1 98 98 ALA C C 98 174.452 174.452 179.823 -5.371 25703 8998 1 16 . 1 1 98 98 ALA CA C 98 55.207 55.207 54.775 0.432 25703 8999 1 16 . 1 1 98 98 ALA CB C 98 18.356 18.356 18.459 -0.103 25703 9000 1 16 . 1 1 98 98 ALA H H 98 7.456 7.456 7.571 -0.115 25703 9001 1 16 . 1 1 99 99 ILE N N 99 118.810 118.810 118.498 0.312 25703 9002 1 16 . 1 1 99 99 ILE HA H 99 3.037 3.037 3.746 -0.709 25703 9003 1 16 . 1 1 99 99 ILE C C 99 176.476 176.476 177.234 -0.758 25703 9004 1 16 . 1 1 99 99 ILE CA C 99 65.925 65.925 62.329 3.596 25703 9005 1 16 . 1 1 99 99 ILE CB C 99 38.622 38.622 37.076 1.546 25703 9006 1 16 . 1 1 99 99 ILE H H 99 7.692 7.692 8.440 -0.748 25703 9007 1 16 . 1 1 100 100 ALA N N 100 120.478 120.478 121.060 -0.582 25703 9008 1 16 . 1 1 100 100 ALA HA H 100 3.713 3.713 4.231 -0.518 25703 9009 1 16 . 1 1 100 100 ALA C C 100 179.910 179.910 178.808 1.102 25703 9010 1 16 . 1 1 100 100 ALA CA C 100 55.491 55.491 54.000 1.491 25703 9011 1 16 . 1 1 100 100 ALA CB C 100 18.656 18.656 18.912 -0.256 25703 9012 1 16 . 1 1 100 100 ALA H H 100 8.164 8.164 7.864 0.300 25703 9013 1 16 . 1 1 101 101 ALA N N 101 116.616 116.616 121.146 -4.530 25703 9014 1 16 . 1 1 101 101 ALA HA H 101 4.084 4.084 4.047 0.037 25703 9015 1 16 . 1 1 101 101 ALA C C 101 177.705 177.705 178.976 -1.271 25703 9016 1 16 . 1 1 101 101 ALA CA C 101 54.113 54.113 54.266 -0.153 25703 9017 1 16 . 1 1 101 101 ALA CB C 101 19.576 19.576 19.245 0.331 25703 9018 1 16 . 1 1 101 101 ALA H H 101 7.649 7.649 7.878 -0.229 25703 9019 1 16 . 1 1 102 102 ASN N N 102 114.293 114.293 116.111 -1.818 25703 9020 1 16 . 1 1 102 102 ASN HA H 102 4.753 4.753 4.622 0.131 25703 9021 1 16 . 1 1 102 102 ASN C C 102 172.210 172.210 176.348 -4.138 25703 9022 1 16 . 1 1 102 102 ASN CA C 102 54.809 54.809 53.617 1.192 25703 9023 1 16 . 1 1 102 102 ASN CB C 102 43.388 43.388 39.438 3.950 25703 9024 1 16 . 1 1 102 102 ASN H H 102 7.110 7.110 8.076 -0.966 25703 9025 1 17 . 1 1 2 2 VAL N N 2 125.982 125.982 123.049 2.933 25703 9026 1 17 . 1 1 2 2 VAL HA H 2 4.054 4.054 2.375 1.679 25703 9027 1 17 . 1 1 2 2 VAL CA C 2 61.397 61.397 61.358 0.040 25703 9028 1 17 . 1 1 2 2 VAL CB C 2 32.844 32.844 31.920 0.924 25703 9029 1 17 . 1 1 2 2 VAL H H 2 8.576 8.576 8.034 0.542 25703 9030 1 17 . 1 1 3 3 THR N N 3 126.926 126.926 123.578 3.348 25703 9031 1 17 . 1 1 3 3 THR HA H 3 4.120 4.120 4.106 0.014 25703 9032 1 17 . 1 1 3 3 THR C C 3 172.671 172.671 173.210 -0.539 25703 9033 1 17 . 1 1 3 3 THR CA C 3 64.010 64.010 63.631 0.379 25703 9034 1 17 . 1 1 3 3 THR CB C 3 70.030 70.030 69.778 0.252 25703 9035 1 17 . 1 1 3 3 THR H H 3 7.787 7.787 7.613 0.174 25703 9036 1 17 . 1 1 4 4 GLN N N 4 128.743 128.743 122.820 5.923 25703 9037 1 17 . 1 1 4 4 GLN HA H 4 4.726 4.726 4.526 0.200 25703 9038 1 17 . 1 1 4 4 GLN C C 4 176.254 176.254 174.832 1.422 25703 9039 1 17 . 1 1 4 4 GLN CA C 4 54.925 54.925 54.389 0.536 25703 9040 1 17 . 1 1 4 4 GLN CB C 4 30.039 30.039 30.594 -0.555 25703 9041 1 17 . 1 1 4 4 GLN H H 4 8.976 8.976 8.214 0.762 25703 9042 1 17 . 1 1 5 5 PHE N N 5 127.295 127.295 121.623 5.672 25703 9043 1 17 . 1 1 5 5 PHE HA H 5 4.793 4.793 4.455 0.338 25703 9044 1 17 . 1 1 5 5 PHE C C 5 175.627 175.627 176.592 -0.965 25703 9045 1 17 . 1 1 5 5 PHE CA C 5 59.080 59.080 56.422 2.658 25703 9046 1 17 . 1 1 5 5 PHE CB C 5 41.083 41.083 41.127 -0.044 25703 9047 1 17 . 1 1 5 5 PHE H H 5 8.434 8.434 8.358 0.076 25703 9048 1 17 . 1 1 6 6 LYS N N 6 120.464 120.464 115.971 4.493 25703 9049 1 17 . 1 1 6 6 LYS HA H 6 4.623 4.623 4.511 0.112 25703 9050 1 17 . 1 1 6 6 LYS C C 6 176.504 176.504 175.645 0.859 25703 9051 1 17 . 1 1 6 6 LYS CA C 6 56.526 56.526 56.205 0.322 25703 9052 1 17 . 1 1 6 6 LYS CB C 6 34.660 34.660 33.849 0.811 25703 9053 1 17 . 1 1 6 6 LYS H H 6 9.821 9.821 8.582 1.239 25703 9054 1 17 . 1 1 7 7 THR N N 7 108.286 108.286 108.769 -0.483 25703 9055 1 17 . 1 1 7 7 THR HA H 7 4.738 4.738 4.707 0.031 25703 9056 1 17 . 1 1 7 7 THR C C 7 173.410 173.410 174.803 -1.393 25703 9057 1 17 . 1 1 7 7 THR CA C 7 59.287 59.287 59.325 -0.038 25703 9058 1 17 . 1 1 7 7 THR CB C 7 73.138 73.138 72.404 0.734 25703 9059 1 17 . 1 1 7 7 THR H H 7 7.467 7.467 7.437 0.030 25703 9060 1 17 . 1 1 8 8 ALA N N 8 125.007 125.007 125.875 -0.868 25703 9061 1 17 . 1 1 8 8 ALA HA H 8 3.705 3.705 4.128 -0.423 25703 9062 1 17 . 1 1 8 8 ALA C C 8 178.859 178.859 179.894 -1.035 25703 9063 1 17 . 1 1 8 8 ALA CA C 8 55.453 55.453 55.196 0.257 25703 9064 1 17 . 1 1 8 8 ALA CB C 8 18.689 18.689 18.195 0.494 25703 9065 1 17 . 1 1 8 8 ALA H H 8 9.038 9.038 8.975 0.063 25703 9066 1 17 . 1 1 9 9 SER N N 9 113.408 113.408 113.273 0.135 25703 9067 1 17 . 1 1 9 9 SER HA H 9 4.124 4.124 4.180 -0.056 25703 9068 1 17 . 1 1 9 9 SER C C 9 176.575 176.575 176.966 -0.391 25703 9069 1 17 . 1 1 9 9 SER CA C 9 61.528 61.528 61.479 0.049 25703 9070 1 17 . 1 1 9 9 SER CB C 9 62.703 62.703 62.527 0.176 25703 9071 1 17 . 1 1 9 9 SER H H 9 8.159 8.159 8.414 -0.255 25703 9072 1 17 . 1 1 10 10 GLU N N 10 123.005 123.005 121.333 1.672 25703 9073 1 17 . 1 1 10 10 GLU HA H 10 3.853 3.853 3.716 0.137 25703 9074 1 17 . 1 1 10 10 GLU C C 10 178.294 178.294 178.240 0.054 25703 9075 1 17 . 1 1 10 10 GLU CA C 10 59.266 59.266 58.733 0.533 25703 9076 1 17 . 1 1 10 10 GLU CB C 10 31.536 31.536 28.878 2.658 25703 9077 1 17 . 1 1 10 10 GLU H H 10 7.552 7.552 7.585 -0.033 25703 9078 1 17 . 1 1 11 11 PHE N N 11 121.633 121.633 120.280 1.353 25703 9079 1 17 . 1 1 11 11 PHE HA H 11 2.864 2.864 3.654 -0.790 25703 9080 1 17 . 1 1 11 11 PHE C C 11 176.786 176.786 176.787 -0.001 25703 9081 1 17 . 1 1 11 11 PHE CA C 11 61.182 61.182 60.897 0.285 25703 9082 1 17 . 1 1 11 11 PHE CB C 11 38.202 38.202 39.216 -1.014 25703 9083 1 17 . 1 1 11 11 PHE H H 11 6.632 6.632 7.657 -1.025 25703 9084 1 17 . 1 1 12 12 ASP N N 12 118.991 118.991 119.610 -0.619 25703 9085 1 17 . 1 1 12 12 ASP HA H 12 3.841 3.841 3.799 0.042 25703 9086 1 17 . 1 1 12 12 ASP C C 12 178.286 178.286 178.765 -0.479 25703 9087 1 17 . 1 1 12 12 ASP CA C 12 57.547 57.547 57.748 -0.201 25703 9088 1 17 . 1 1 12 12 ASP CB C 12 40.790 40.790 40.353 0.437 25703 9089 1 17 . 1 1 12 12 ASP H H 12 7.687 7.687 8.690 -1.003 25703 9090 1 17 . 1 1 13 13 SER N N 13 112.966 112.966 114.786 -1.820 25703 9091 1 17 . 1 1 13 13 SER HA H 13 4.022 4.022 4.104 -0.082 25703 9092 1 17 . 1 1 13 13 SER C C 13 175.827 175.827 175.865 -0.038 25703 9093 1 17 . 1 1 13 13 SER CA C 13 61.410 61.410 61.000 0.410 25703 9094 1 17 . 1 1 13 13 SER CB C 13 63.499 63.499 63.121 0.378 25703 9095 1 17 . 1 1 13 13 SER H H 13 7.563 7.563 7.995 -0.432 25703 9096 1 17 . 1 1 14 14 ALA N N 14 124.823 124.823 122.987 1.836 25703 9097 1 17 . 1 1 14 14 ALA HA H 14 4.025 4.025 4.393 -0.367 25703 9098 1 17 . 1 1 14 14 ALA C C 14 179.909 179.909 180.262 -0.353 25703 9099 1 17 . 1 1 14 14 ALA CA C 14 54.710 54.710 54.427 0.283 25703 9100 1 17 . 1 1 14 14 ALA CB C 14 19.286 19.286 18.692 0.594 25703 9101 1 17 . 1 1 14 14 ALA H H 14 7.671 7.671 7.088 0.583 25703 9102 1 17 . 1 1 15 15 ILE N N 15 108.002 108.002 114.521 -6.519 25703 9103 1 17 . 1 1 15 15 ILE HA H 15 3.721 3.721 3.765 -0.044 25703 9104 1 17 . 1 1 15 15 ILE C C 15 175.512 175.512 176.841 -1.329 25703 9105 1 17 . 1 1 15 15 ILE CA C 15 64.058 64.058 63.926 0.132 25703 9106 1 17 . 1 1 15 15 ILE CB C 15 38.277 38.277 36.939 1.338 25703 9107 1 17 . 1 1 15 15 ILE H H 15 7.195 7.195 7.889 -0.694 25703 9108 1 17 . 1 1 16 16 ALA N N 16 123.051 123.051 121.126 1.925 25703 9109 1 17 . 1 1 16 16 ALA HA H 16 4.013 4.013 4.284 -0.271 25703 9110 1 17 . 1 1 16 16 ALA C C 16 176.636 176.636 178.051 -1.415 25703 9111 1 17 . 1 1 16 16 ALA CA C 16 52.318 52.318 52.452 -0.134 25703 9112 1 17 . 1 1 16 16 ALA CB C 16 18.956 18.956 18.634 0.322 25703 9113 1 17 . 1 1 16 16 ALA H H 16 6.623 6.623 7.411 -0.788 25703 9114 1 17 . 1 1 17 17 GLN N N 17 116.236 116.236 119.237 -3.001 25703 9115 1 17 . 1 1 17 17 GLN HA H 17 4.198 4.198 4.241 -0.043 25703 9116 1 17 . 1 1 17 17 GLN C C 17 174.965 174.965 175.043 -0.078 25703 9117 1 17 . 1 1 17 17 GLN CA C 17 56.422 56.422 55.222 1.200 25703 9118 1 17 . 1 1 17 17 GLN CB C 17 34.338 34.338 29.426 4.912 25703 9119 1 17 . 1 1 17 17 GLN H H 17 7.140 7.140 7.726 -0.586 25703 9120 1 17 . 1 1 18 18 ASP N N 18 123.905 123.905 120.294 3.611 25703 9121 1 17 . 1 1 18 18 ASP HA H 18 4.998 4.998 4.715 0.283 25703 9122 1 17 . 1 1 18 18 ASP C C 18 174.817 174.817 175.503 -0.686 25703 9123 1 17 . 1 1 18 18 ASP CB C 18 39.414 39.414 39.604 -0.190 25703 9124 1 17 . 1 1 18 18 ASP H H 18 8.651 8.651 8.629 0.022 25703 9125 1 17 . 1 1 19 19 LYS N N 19 119.499 119.499 116.621 2.878 25703 9126 1 17 . 1 1 19 19 LYS HA H 19 4.384 4.384 4.499 -0.115 25703 9127 1 17 . 1 1 19 19 LYS C C 19 172.740 172.740 175.180 -2.440 25703 9128 1 17 . 1 1 19 19 LYS CA C 19 55.163 55.163 54.407 0.756 25703 9129 1 17 . 1 1 19 19 LYS CB C 19 34.721 34.721 35.385 -0.664 25703 9130 1 17 . 1 1 19 19 LYS H H 19 7.950 7.950 7.639 0.311 25703 9131 1 17 . 1 1 20 20 LEU N N 20 121.877 121.877 124.573 -2.696 25703 9132 1 17 . 1 1 20 20 LEU HA H 20 4.972 4.972 4.658 0.314 25703 9133 1 17 . 1 1 20 20 LEU C C 20 173.937 173.937 175.272 -1.335 25703 9134 1 17 . 1 1 20 20 LEU CA C 20 57.132 57.132 54.872 2.260 25703 9135 1 17 . 1 1 20 20 LEU CB C 20 42.012 42.012 40.918 1.094 25703 9136 1 17 . 1 1 20 20 LEU H H 20 8.641 8.641 8.923 -0.282 25703 9137 1 17 . 1 1 21 21 VAL N N 21 129.812 129.812 129.307 0.505 25703 9138 1 17 . 1 1 21 21 VAL HA H 21 4.439 4.439 4.665 -0.226 25703 9139 1 17 . 1 1 21 21 VAL C C 21 173.493 173.493 174.634 -1.141 25703 9140 1 17 . 1 1 21 21 VAL CA C 21 62.510 62.510 62.019 0.491 25703 9141 1 17 . 1 1 21 21 VAL CB C 21 34.732 34.732 32.798 1.934 25703 9142 1 17 . 1 1 21 21 VAL H H 21 9.263 9.263 9.175 0.088 25703 9143 1 17 . 1 1 22 22 VAL N N 22 131.684 131.684 129.475 2.209 25703 9144 1 17 . 1 1 22 22 VAL HA H 22 4.408 4.408 4.578 -0.170 25703 9145 1 17 . 1 1 22 22 VAL C C 22 174.331 174.331 173.628 0.703 25703 9146 1 17 . 1 1 22 22 VAL CA C 22 61.561 61.561 60.361 1.200 25703 9147 1 17 . 1 1 22 22 VAL CB C 22 33.630 33.630 32.577 1.054 25703 9148 1 17 . 1 1 22 22 VAL H H 22 9.006 9.006 8.591 0.415 25703 9149 1 17 . 1 1 23 23 VAL N N 23 126.475 126.475 130.734 -4.259 25703 9150 1 17 . 1 1 23 23 VAL HA H 23 4.422 4.422 5.355 -0.933 25703 9151 1 17 . 1 1 23 23 VAL C C 23 174.342 174.342 174.201 0.141 25703 9152 1 17 . 1 1 23 23 VAL CA C 23 61.672 61.672 60.007 1.665 25703 9153 1 17 . 1 1 23 23 VAL CB C 23 34.042 34.042 34.851 -0.809 25703 9154 1 17 . 1 1 23 23 VAL H H 23 9.551 9.551 8.222 1.329 25703 9155 1 17 . 1 1 24 24 ALA N N 24 131.649 131.649 128.584 3.065 25703 9156 1 17 . 1 1 24 24 ALA HA H 24 4.953 4.953 5.436 -0.483 25703 9157 1 17 . 1 1 24 24 ALA C C 24 174.683 174.683 176.970 -2.287 25703 9158 1 17 . 1 1 24 24 ALA CA C 24 51.712 51.712 49.656 2.056 25703 9159 1 17 . 1 1 24 24 ALA CB C 24 20.149 20.149 22.148 -1.999 25703 9160 1 17 . 1 1 24 24 ALA H H 24 8.991 8.991 8.247 0.744 25703 9161 1 17 . 1 1 25 25 PHE N N 25 124.535 124.535 124.794 -0.259 25703 9162 1 17 . 1 1 25 25 PHE HA H 25 5.002 5.002 4.488 0.514 25703 9163 1 17 . 1 1 25 25 PHE C C 25 174.231 174.231 174.560 -0.329 25703 9164 1 17 . 1 1 25 25 PHE CA C 25 58.196 58.196 59.471 -1.275 25703 9165 1 17 . 1 1 25 25 PHE CB C 25 40.231 40.231 39.014 1.218 25703 9166 1 17 . 1 1 25 25 PHE H H 25 9.231 9.231 8.515 0.716 25703 9167 1 17 . 1 1 26 26 TYR N N 26 121.986 121.986 123.908 -1.922 25703 9168 1 17 . 1 1 26 26 TYR HA H 26 5.112 5.112 4.631 0.481 25703 9169 1 17 . 1 1 26 26 TYR C C 26 170.727 170.727 174.347 -3.620 25703 9170 1 17 . 1 1 26 26 TYR CA C 26 55.240 55.240 56.911 -1.671 25703 9171 1 17 . 1 1 26 26 TYR CB C 26 43.023 43.023 43.460 -0.437 25703 9172 1 17 . 1 1 26 26 TYR H H 26 8.869 8.869 9.051 -0.182 25703 9173 1 17 . 1 1 27 27 ALA N N 27 117.474 117.474 119.998 -2.524 25703 9174 1 17 . 1 1 27 27 ALA HA H 27 4.329 4.329 4.222 0.107 25703 9175 1 17 . 1 1 27 27 ALA C C 27 178.755 178.755 176.158 2.597 25703 9176 1 17 . 1 1 27 27 ALA CA C 27 50.966 50.966 51.392 -0.426 25703 9177 1 17 . 1 1 27 27 ALA CB C 27 22.735 22.735 20.101 2.634 25703 9178 1 17 . 1 1 27 27 ALA H H 27 6.235 6.235 8.066 -1.831 25703 9179 1 17 . 1 1 28 28 THR N N 28 119.624 119.624 111.611 8.013 25703 9180 1 17 . 1 1 28 28 THR HA H 28 3.907 3.907 4.259 -0.352 25703 9181 1 17 . 1 1 28 28 THR C C 28 174.360 174.360 174.448 -0.088 25703 9182 1 17 . 1 1 28 28 THR CA C 28 65.865 65.865 64.323 1.542 25703 9183 1 17 . 1 1 28 28 THR CB C 28 69.336 69.336 68.970 0.366 25703 9184 1 17 . 1 1 28 28 THR H H 28 10.381 10.381 8.165 2.216 25703 9185 1 17 . 1 1 29 29 TRP N N 29 115.983 115.983 120.868 -4.885 25703 9186 1 17 . 1 1 29 29 TRP HA H 29 4.590 4.590 5.045 -0.455 25703 9187 1 17 . 1 1 29 29 TRP CA C 29 53.924 53.924 54.902 -0.978 25703 9188 1 17 . 1 1 29 29 TRP CB C 29 29.460 29.460 27.959 1.502 25703 9189 1 17 . 1 1 29 29 TRP H H 29 6.472 6.472 7.064 -0.592 25703 9190 1 17 . 1 1 30 30 CYS HA H 30 3.857 3.857 4.927 -1.070 25703 9191 1 17 . 1 1 30 30 CYS CA C 30 58.536 58.536 57.134 1.402 25703 9192 1 17 . 1 1 30 30 CYS CB C 30 37.005 37.005 30.470 6.535 25703 9193 1 17 . 1 1 31 31 GLY CA C 31 48.989 48.989 46.535 2.454 25703 9194 1 17 . 1 1 32 32 PRO HA H 32 4.398 4.398 4.255 0.143 25703 9195 1 17 . 1 1 32 32 PRO C C 32 177.189 177.189 178.276 -1.087 25703 9196 1 17 . 1 1 32 32 PRO CA C 32 65.366 65.366 64.838 0.527 25703 9197 1 17 . 1 1 32 32 PRO CB C 32 32.289 32.289 31.278 1.011 25703 9198 1 17 . 1 1 33 33 CYS N N 33 111.468 111.468 112.114 -0.646 25703 9199 1 17 . 1 1 33 33 CYS HA H 33 4.223 4.223 3.582 0.641 25703 9200 1 17 . 1 1 33 33 CYS CA C 33 65.801 65.801 61.364 4.437 25703 9201 1 17 . 1 1 33 33 CYS CB C 33 34.949 34.949 25.381 9.568 25703 9202 1 17 . 1 1 33 33 CYS H H 33 7.991 7.991 8.495 -0.504 25703 9203 1 17 . 1 1 34 34 LYS HA H 34 3.968 3.968 4.009 -0.041 25703 9204 1 17 . 1 1 34 34 LYS C C 34 178.052 178.052 178.666 -0.614 25703 9205 1 17 . 1 1 34 34 LYS CA C 34 59.661 59.661 59.165 0.496 25703 9206 1 17 . 1 1 34 34 LYS CB C 34 32.513 32.513 32.323 0.190 25703 9207 1 17 . 1 1 35 35 MET N N 35 117.236 117.236 115.715 1.521 25703 9208 1 17 . 1 1 35 35 MET HA H 35 4.194 4.194 4.280 -0.086 25703 9209 1 17 . 1 1 35 35 MET C C 35 177.451 177.451 178.342 -0.891 25703 9210 1 17 . 1 1 35 35 MET CA C 35 57.938 57.938 58.202 -0.264 25703 9211 1 17 . 1 1 35 35 MET CB C 35 32.628 32.628 33.280 -0.652 25703 9212 1 17 . 1 1 35 35 MET H H 35 7.326 7.326 7.501 -0.175 25703 9213 1 17 . 1 1 36 36 ILE N N 36 113.758 113.758 118.827 -5.069 25703 9214 1 17 . 1 1 36 36 ILE HA H 36 4.345 4.345 3.917 0.428 25703 9215 1 17 . 1 1 36 36 ILE C C 36 176.183 176.183 176.328 -0.145 25703 9216 1 17 . 1 1 36 36 ILE CA C 36 60.656 60.656 62.852 -2.196 25703 9217 1 17 . 1 1 36 36 ILE CB C 36 39.657 39.657 37.247 2.410 25703 9218 1 17 . 1 1 36 36 ILE H H 36 7.315 7.315 8.087 -0.772 25703 9219 1 17 . 1 1 37 37 ALA N N 37 126.738 126.738 124.976 1.762 25703 9220 1 17 . 1 1 37 37 ALA HA H 37 4.095 4.095 4.522 -0.427 25703 9221 1 17 . 1 1 37 37 ALA CA C 37 57.562 57.562 56.369 1.193 25703 9222 1 17 . 1 1 37 37 ALA CB C 37 15.912 15.912 16.751 -0.839 25703 9223 1 17 . 1 1 37 37 ALA H H 37 7.447 7.447 7.529 -0.082 25703 9224 1 17 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.215 0.055 25703 9225 1 17 . 1 1 38 38 PRO C C 38 178.922 178.922 178.651 0.271 25703 9226 1 17 . 1 1 38 38 PRO CA C 38 65.743 65.743 65.524 0.219 25703 9227 1 17 . 1 1 38 38 PRO CB C 38 31.224 31.224 31.238 -0.014 25703 9228 1 17 . 1 1 39 39 MET N N 39 118.310 118.310 118.037 0.273 25703 9229 1 17 . 1 1 39 39 MET HA H 39 3.859 3.859 3.842 0.017 25703 9230 1 17 . 1 1 39 39 MET C C 39 174.441 174.441 178.356 -3.915 25703 9231 1 17 . 1 1 39 39 MET CA C 39 58.390 58.390 57.793 0.597 25703 9232 1 17 . 1 1 39 39 MET CB C 39 31.394 31.394 31.268 0.126 25703 9233 1 17 . 1 1 39 39 MET H H 39 7.063 7.063 7.195 -0.132 25703 9234 1 17 . 1 1 40 40 ILE N N 40 119.013 119.013 119.981 -0.968 25703 9235 1 17 . 1 1 40 40 ILE HA H 40 3.595 3.595 3.444 0.151 25703 9236 1 17 . 1 1 40 40 ILE C C 40 177.267 177.267 177.825 -0.558 25703 9237 1 17 . 1 1 40 40 ILE CA C 40 64.393 64.393 65.684 -1.291 25703 9238 1 17 . 1 1 40 40 ILE CB C 40 36.259 36.259 37.737 -1.478 25703 9239 1 17 . 1 1 40 40 ILE H H 40 7.752 7.752 8.853 -1.101 25703 9240 1 17 . 1 1 41 41 GLU N N 41 119.530 119.530 120.438 -0.908 25703 9241 1 17 . 1 1 41 41 GLU HA H 41 3.572 3.572 3.801 -0.229 25703 9242 1 17 . 1 1 41 41 GLU C C 41 179.597 179.597 178.507 1.090 25703 9243 1 17 . 1 1 41 41 GLU CA C 41 59.878 59.878 59.707 0.171 25703 9244 1 17 . 1 1 41 41 GLU CB C 41 29.900 29.900 29.483 0.417 25703 9245 1 17 . 1 1 41 41 GLU H H 41 7.442 7.442 7.898 -0.456 25703 9246 1 17 . 1 1 42 42 LYS N N 42 122.053 122.053 119.423 2.630 25703 9247 1 17 . 1 1 42 42 LYS HA H 42 3.932 3.932 4.053 -0.121 25703 9248 1 17 . 1 1 42 42 LYS C C 42 179.390 179.390 179.619 -0.229 25703 9249 1 17 . 1 1 42 42 LYS CA C 42 59.532 59.532 58.398 1.134 25703 9250 1 17 . 1 1 42 42 LYS CB C 42 31.281 31.281 31.829 -0.548 25703 9251 1 17 . 1 1 42 42 LYS H H 42 7.428 7.428 7.469 -0.041 25703 9252 1 17 . 1 1 43 43 PHE N N 43 120.250 120.250 116.518 3.732 25703 9253 1 17 . 1 1 43 43 PHE HA H 43 4.639 4.639 4.407 0.232 25703 9254 1 17 . 1 1 43 43 PHE C C 43 177.337 177.337 176.938 0.399 25703 9255 1 17 . 1 1 43 43 PHE CA C 43 59.331 59.331 58.326 1.005 25703 9256 1 17 . 1 1 43 43 PHE CB C 43 37.737 37.737 37.887 -0.150 25703 9257 1 17 . 1 1 43 43 PHE H H 43 8.337 8.337 7.881 0.456 25703 9258 1 17 . 1 1 44 44 SER N N 44 117.203 117.203 112.710 4.493 25703 9259 1 17 . 1 1 44 44 SER HA H 44 2.967 2.967 3.463 -0.496 25703 9260 1 17 . 1 1 44 44 SER C C 44 174.934 174.934 174.688 0.246 25703 9261 1 17 . 1 1 44 44 SER CA C 44 61.159 61.159 59.045 2.114 25703 9262 1 17 . 1 1 44 44 SER CB C 44 62.353 62.353 62.925 -0.572 25703 9263 1 17 . 1 1 44 44 SER H H 44 7.754 7.754 7.885 -0.131 25703 9264 1 17 . 1 1 45 45 GLU N N 45 121.664 121.664 118.493 3.171 25703 9265 1 17 . 1 1 45 45 GLU HA H 45 4.049 4.049 4.293 -0.244 25703 9266 1 17 . 1 1 45 45 GLU C C 45 177.360 177.360 177.062 0.298 25703 9267 1 17 . 1 1 45 45 GLU CA C 45 57.739 57.739 56.763 0.976 25703 9268 1 17 . 1 1 45 45 GLU CB C 45 30.191 30.191 30.354 -0.163 25703 9269 1 17 . 1 1 45 45 GLU H H 45 6.884 6.884 7.911 -1.027 25703 9270 1 17 . 1 1 46 46 GLN N N 46 118.766 118.766 116.904 1.862 25703 9271 1 17 . 1 1 46 46 GLN HA H 46 3.948 3.948 4.545 -0.597 25703 9272 1 17 . 1 1 46 46 GLN C C 46 177.431 177.431 174.960 2.471 25703 9273 1 17 . 1 1 46 46 GLN CA C 46 58.372 58.372 55.059 3.313 25703 9274 1 17 . 1 1 46 46 GLN CB C 46 30.160 30.160 29.339 0.821 25703 9275 1 17 . 1 1 46 46 GLN H H 46 7.551 7.551 7.312 0.239 25703 9276 1 17 . 1 1 47 47 TYR N N 47 117.012 117.012 117.780 -0.768 25703 9277 1 17 . 1 1 47 47 TYR HA H 47 4.971 4.971 5.079 -0.108 25703 9278 1 17 . 1 1 47 47 TYR CA C 47 56.523 56.523 52.799 3.724 25703 9279 1 17 . 1 1 47 47 TYR CB C 47 38.479 38.479 36.630 1.849 25703 9280 1 17 . 1 1 47 47 TYR H H 47 7.426 7.426 8.210 -0.784 25703 9281 1 17 . 1 1 48 48 PRO HA H 48 4.388 4.388 4.121 0.267 25703 9282 1 17 . 1 1 48 48 PRO C C 48 176.927 176.927 177.212 -0.285 25703 9283 1 17 . 1 1 48 48 PRO CA C 48 65.425 65.425 65.343 0.083 25703 9284 1 17 . 1 1 48 48 PRO CB C 48 32.619 32.619 31.716 0.903 25703 9285 1 17 . 1 1 49 49 GLN N N 49 120.194 120.194 113.581 6.613 25703 9286 1 17 . 1 1 49 49 GLN HA H 49 4.369 4.369 4.351 0.018 25703 9287 1 17 . 1 1 49 49 GLN C C 49 174.438 174.438 175.130 -0.692 25703 9288 1 17 . 1 1 49 49 GLN CA C 49 56.832 56.832 54.521 2.311 25703 9289 1 17 . 1 1 49 49 GLN CB C 49 28.164 28.164 29.076 -0.912 25703 9290 1 17 . 1 1 49 49 GLN H H 49 9.624 9.624 8.368 1.256 25703 9291 1 17 . 1 1 50 50 ALA N N 50 128.180 128.180 122.650 5.530 25703 9292 1 17 . 1 1 50 50 ALA HA H 50 5.048 5.048 4.483 0.565 25703 9293 1 17 . 1 1 50 50 ALA C C 50 174.685 174.685 175.922 -1.237 25703 9294 1 17 . 1 1 50 50 ALA CA C 50 50.518 50.518 50.371 0.147 25703 9295 1 17 . 1 1 50 50 ALA CB C 50 22.754 22.754 20.993 1.761 25703 9296 1 17 . 1 1 50 50 ALA H H 50 8.179 8.179 7.262 0.917 25703 9297 1 17 . 1 1 51 51 ASP N N 51 121.032 121.032 119.989 1.043 25703 9298 1 17 . 1 1 51 51 ASP HA H 51 5.102 5.102 4.891 0.211 25703 9299 1 17 . 1 1 51 51 ASP C C 51 174.171 174.171 174.767 -0.596 25703 9300 1 17 . 1 1 51 51 ASP CA C 51 53.515 53.515 53.137 0.378 25703 9301 1 17 . 1 1 51 51 ASP CB C 51 44.782 44.782 44.285 0.497 25703 9302 1 17 . 1 1 51 51 ASP H H 51 8.435 8.435 8.390 0.045 25703 9303 1 17 . 1 1 52 52 PHE N N 52 121.696 121.696 122.064 -0.368 25703 9304 1 17 . 1 1 52 52 PHE HA H 52 5.172 5.172 4.957 0.215 25703 9305 1 17 . 1 1 52 52 PHE C C 52 174.110 174.110 173.388 0.722 25703 9306 1 17 . 1 1 52 52 PHE CA C 52 57.189 57.189 54.141 3.048 25703 9307 1 17 . 1 1 52 52 PHE CB C 52 42.291 42.291 38.358 3.933 25703 9308 1 17 . 1 1 52 52 PHE H H 52 8.983 8.983 9.130 -0.147 25703 9309 1 17 . 1 1 53 53 TYR N N 53 122.042 122.042 121.781 0.261 25703 9310 1 17 . 1 1 53 53 TYR HA H 53 5.495 5.495 4.832 0.663 25703 9311 1 17 . 1 1 53 53 TYR C C 53 174.002 174.002 174.767 -0.765 25703 9312 1 17 . 1 1 53 53 TYR CA C 53 56.214 56.214 56.669 -0.455 25703 9313 1 17 . 1 1 53 53 TYR CB C 53 46.407 46.407 42.068 4.339 25703 9314 1 17 . 1 1 53 53 TYR H H 53 9.362 9.362 8.965 0.397 25703 9315 1 17 . 1 1 54 54 LYS N N 54 116.808 116.808 122.152 -5.344 25703 9316 1 17 . 1 1 54 54 LYS HA H 54 5.505 5.505 4.774 0.731 25703 9317 1 17 . 1 1 54 54 LYS C C 54 172.792 172.792 175.037 -2.245 25703 9318 1 17 . 1 1 54 54 LYS CA C 54 53.943 53.943 55.368 -1.425 25703 9319 1 17 . 1 1 54 54 LYS CB C 54 36.950 36.950 35.274 1.676 25703 9320 1 17 . 1 1 54 54 LYS H H 54 8.463 8.463 8.872 -0.409 25703 9321 1 17 . 1 1 55 55 LEU N N 55 123.826 123.826 123.590 0.236 25703 9322 1 17 . 1 1 55 55 LEU HA H 55 4.472 4.472 4.459 0.013 25703 9323 1 17 . 1 1 55 55 LEU C C 55 171.652 171.652 175.666 -4.014 25703 9324 1 17 . 1 1 55 55 LEU CA C 55 55.906 55.906 53.650 2.256 25703 9325 1 17 . 1 1 55 55 LEU CB C 55 46.528 46.528 43.584 2.944 25703 9326 1 17 . 1 1 55 55 LEU H H 55 8.688 8.688 8.943 -0.255 25703 9327 1 17 . 1 1 56 56 ASP N N 56 127.169 127.169 119.097 8.072 25703 9328 1 17 . 1 1 56 56 ASP HA H 56 4.130 4.130 4.760 -0.630 25703 9329 1 17 . 1 1 56 56 ASP C C 56 177.692 177.692 176.235 1.457 25703 9330 1 17 . 1 1 56 56 ASP CA C 56 54.074 54.074 53.039 1.035 25703 9331 1 17 . 1 1 56 56 ASP CB C 56 41.388 41.388 41.391 -0.003 25703 9332 1 17 . 1 1 56 56 ASP H H 56 8.595 8.595 8.747 -0.152 25703 9333 1 17 . 1 1 57 57 VAL N N 57 123.562 123.562 124.989 -1.427 25703 9334 1 17 . 1 1 57 57 VAL HA H 57 3.491 3.491 3.960 -0.469 25703 9335 1 17 . 1 1 57 57 VAL C C 57 175.413 175.413 176.044 -0.631 25703 9336 1 17 . 1 1 57 57 VAL CA C 57 65.095 65.095 64.948 0.147 25703 9337 1 17 . 1 1 57 57 VAL CB C 57 31.658 31.658 32.187 -0.529 25703 9338 1 17 . 1 1 57 57 VAL H H 57 8.712 8.712 8.641 0.071 25703 9339 1 17 . 1 1 58 58 ASP N N 58 120.070 120.070 117.799 2.271 25703 9340 1 17 . 1 1 58 58 ASP HA H 58 4.827 4.827 4.665 0.162 25703 9341 1 17 . 1 1 58 58 ASP C C 58 177.131 177.131 177.906 -0.775 25703 9342 1 17 . 1 1 58 58 ASP CA C 58 57.693 57.693 57.052 0.641 25703 9343 1 17 . 1 1 58 58 ASP CB C 58 40.827 40.827 41.211 -0.384 25703 9344 1 17 . 1 1 58 58 ASP H H 58 8.670 8.670 8.527 0.143 25703 9345 1 17 . 1 1 59 59 GLU N N 59 120.889 120.889 117.474 3.415 25703 9346 1 17 . 1 1 59 59 GLU HA H 59 4.358 4.358 4.450 -0.092 25703 9347 1 17 . 1 1 59 59 GLU C C 59 176.606 176.606 178.150 -1.544 25703 9348 1 17 . 1 1 59 59 GLU CA C 59 57.881 57.881 57.078 0.803 25703 9349 1 17 . 1 1 59 59 GLU CB C 59 32.138 32.138 31.026 1.112 25703 9350 1 17 . 1 1 59 59 GLU H H 59 7.616 7.616 8.064 -0.448 25703 9351 1 17 . 1 1 60 60 LEU N N 60 122.457 122.457 121.218 1.239 25703 9352 1 17 . 1 1 60 60 LEU HA H 60 4.916 4.916 4.669 0.247 25703 9353 1 17 . 1 1 60 60 LEU C C 60 176.538 176.538 177.009 -0.471 25703 9354 1 17 . 1 1 60 60 LEU CA C 60 52.864 52.864 53.146 -0.282 25703 9355 1 17 . 1 1 60 60 LEU CB C 60 42.270 42.270 38.742 3.528 25703 9356 1 17 . 1 1 60 60 LEU H H 60 7.690 7.690 8.543 -0.853 25703 9357 1 17 . 1 1 61 61 GLY N N 61 112.065 112.065 109.499 2.566 25703 9358 1 17 . 1 1 61 61 GLY C C 61 175.917 175.917 175.252 0.665 25703 9359 1 17 . 1 1 61 61 GLY CA C 61 48.760 48.760 46.860 1.900 25703 9360 1 17 . 1 1 61 61 GLY H H 61 8.267 8.267 7.783 0.484 25703 9361 1 17 . 1 1 62 62 ASP N N 62 120.904 120.904 120.744 0.160 25703 9362 1 17 . 1 1 62 62 ASP HA H 62 4.302 4.302 4.385 -0.083 25703 9363 1 17 . 1 1 62 62 ASP C C 62 178.355 178.355 178.112 0.243 25703 9364 1 17 . 1 1 62 62 ASP CA C 62 57.045 57.045 57.189 -0.144 25703 9365 1 17 . 1 1 62 62 ASP CB C 62 39.646 39.646 40.814 -1.168 25703 9366 1 17 . 1 1 62 62 ASP H H 62 9.155 9.155 7.989 1.166 25703 9367 1 17 . 1 1 63 63 VAL N N 63 121.465 121.465 119.312 2.153 25703 9368 1 17 . 1 1 63 63 VAL HA H 63 3.310 3.310 3.683 -0.373 25703 9369 1 17 . 1 1 63 63 VAL C C 63 178.724 178.724 176.999 1.725 25703 9370 1 17 . 1 1 63 63 VAL CA C 63 65.878 65.878 65.534 0.344 25703 9371 1 17 . 1 1 63 63 VAL CB C 63 31.718 31.718 31.286 0.432 25703 9372 1 17 . 1 1 63 63 VAL H H 63 7.263 7.263 8.077 -0.814 25703 9373 1 17 . 1 1 64 64 ALA N N 64 123.341 123.341 121.498 1.843 25703 9374 1 17 . 1 1 64 64 ALA HA H 64 3.774 3.774 3.096 0.678 25703 9375 1 17 . 1 1 64 64 ALA C C 64 177.984 177.984 179.487 -1.503 25703 9376 1 17 . 1 1 64 64 ALA CA C 64 56.326 56.326 54.761 1.565 25703 9377 1 17 . 1 1 64 64 ALA CB C 64 18.296 18.296 17.606 0.690 25703 9378 1 17 . 1 1 64 64 ALA H H 64 7.248 7.248 7.436 -0.188 25703 9379 1 17 . 1 1 65 65 GLN N N 65 118.749 118.749 116.819 1.930 25703 9380 1 17 . 1 1 65 65 GLN HA H 65 4.013 4.013 4.056 -0.043 25703 9381 1 17 . 1 1 65 65 GLN CA C 65 59.524 59.524 58.055 1.469 25703 9382 1 17 . 1 1 65 65 GLN CB C 65 28.802 28.802 28.115 0.687 25703 9383 1 17 . 1 1 65 65 GLN H H 65 8.276 8.276 7.842 0.434 25703 9384 1 17 . 1 1 66 66 LYS N N 66 120.950 120.950 120.476 0.474 25703 9385 1 17 . 1 1 66 66 LYS HA H 66 4.033 4.033 4.114 -0.081 25703 9386 1 17 . 1 1 66 66 LYS C C 66 176.439 176.439 178.090 -1.651 25703 9387 1 17 . 1 1 66 66 LYS CA C 66 59.276 59.276 59.009 0.267 25703 9388 1 17 . 1 1 66 66 LYS CB C 66 32.706 32.706 32.242 0.464 25703 9389 1 17 . 1 1 66 66 LYS H H 66 7.984 7.984 8.016 -0.032 25703 9390 1 17 . 1 1 67 67 ASN N N 67 115.512 115.512 115.796 -0.284 25703 9391 1 17 . 1 1 67 67 ASN HA H 67 4.698 4.698 5.053 -0.355 25703 9392 1 17 . 1 1 67 67 ASN C C 67 171.075 171.075 173.841 -2.766 25703 9393 1 17 . 1 1 67 67 ASN CA C 67 54.555 54.555 53.305 1.250 25703 9394 1 17 . 1 1 67 67 ASN CB C 67 40.572 40.572 38.948 1.624 25703 9395 1 17 . 1 1 67 67 ASN H H 67 7.052 7.052 7.636 -0.584 25703 9396 1 17 . 1 1 68 68 GLU N N 68 115.540 115.540 115.208 0.332 25703 9397 1 17 . 1 1 68 68 GLU HA H 68 3.724 3.724 3.938 -0.214 25703 9398 1 17 . 1 1 68 68 GLU C C 68 175.135 175.135 175.035 0.100 25703 9399 1 17 . 1 1 68 68 GLU CA C 68 57.472 57.472 57.115 0.357 25703 9400 1 17 . 1 1 68 68 GLU CB C 68 27.320 27.320 27.233 0.087 25703 9401 1 17 . 1 1 68 68 GLU H H 68 7.708 7.708 7.702 0.006 25703 9402 1 17 . 1 1 69 69 VAL N N 69 121.037 121.037 119.338 1.699 25703 9403 1 17 . 1 1 69 69 VAL HA H 69 3.891 3.891 4.064 -0.173 25703 9404 1 17 . 1 1 69 69 VAL C C 69 174.845 174.845 175.484 -0.639 25703 9405 1 17 . 1 1 69 69 VAL CA C 69 63.315 63.315 62.908 0.407 25703 9406 1 17 . 1 1 69 69 VAL CB C 69 31.259 31.259 31.722 -0.463 25703 9407 1 17 . 1 1 69 69 VAL H H 69 7.786 7.786 8.155 -0.368 25703 9408 1 17 . 1 1 70 70 SER N N 70 123.071 123.071 122.686 0.385 25703 9409 1 17 . 1 1 70 70 SER HA H 70 4.453 4.453 4.598 -0.145 25703 9410 1 17 . 1 1 70 70 SER C C 70 172.450 172.450 174.425 -1.975 25703 9411 1 17 . 1 1 70 70 SER CA C 70 58.194 58.194 58.150 0.044 25703 9412 1 17 . 1 1 70 70 SER CB C 70 65.148 65.148 64.041 1.107 25703 9413 1 17 . 1 1 70 70 SER H H 70 8.556 8.556 8.791 -0.235 25703 9414 1 17 . 1 1 71 71 ALA N N 71 127.000 127.000 124.305 2.695 25703 9415 1 17 . 1 1 71 71 ALA HA H 71 4.554 4.554 4.834 -0.280 25703 9416 1 17 . 1 1 71 71 ALA C C 71 175.018 175.018 175.443 -0.425 25703 9417 1 17 . 1 1 71 71 ALA CA C 71 51.898 51.898 51.542 0.356 25703 9418 1 17 . 1 1 71 71 ALA CB C 71 21.560 21.560 20.567 0.993 25703 9419 1 17 . 1 1 71 71 ALA H H 71 7.884 7.884 7.886 -0.002 25703 9420 1 17 . 1 1 72 72 MET N N 72 120.240 120.240 116.435 3.805 25703 9421 1 17 . 1 1 72 72 MET HA H 72 4.827 4.827 4.897 -0.070 25703 9422 1 17 . 1 1 72 72 MET CA C 72 57.888 57.888 52.689 5.199 25703 9423 1 17 . 1 1 72 72 MET CB C 72 36.102 36.102 33.600 2.502 25703 9424 1 17 . 1 1 72 72 MET H H 72 8.664 8.664 8.204 0.460 25703 9425 1 17 . 1 1 73 73 PRO HA H 73 4.988 4.988 5.002 -0.014 25703 9426 1 17 . 1 1 73 73 PRO C C 73 175.162 175.162 176.292 -1.130 25703 9427 1 17 . 1 1 73 73 PRO CA C 73 64.042 64.042 62.518 1.524 25703 9428 1 17 . 1 1 73 73 PRO CB C 73 35.151 35.151 33.185 1.966 25703 9429 1 17 . 1 1 74 74 THR N N 74 114.942 114.942 115.944 -1.002 25703 9430 1 17 . 1 1 74 74 THR HA H 74 4.995 4.995 4.724 0.271 25703 9431 1 17 . 1 1 74 74 THR C C 74 170.891 170.891 173.110 -2.219 25703 9432 1 17 . 1 1 74 74 THR CA C 74 63.926 63.926 62.236 1.690 25703 9433 1 17 . 1 1 74 74 THR CB C 74 73.856 73.856 70.935 2.921 25703 9434 1 17 . 1 1 74 74 THR H H 74 7.490 7.490 8.211 -0.721 25703 9435 1 17 . 1 1 75 75 LEU N N 75 132.149 132.149 129.938 2.211 25703 9436 1 17 . 1 1 75 75 LEU HA H 75 5.493 5.493 5.149 0.344 25703 9437 1 17 . 1 1 75 75 LEU C C 75 174.331 174.331 174.916 -0.585 25703 9438 1 17 . 1 1 75 75 LEU CA C 75 53.852 53.852 54.036 -0.184 25703 9439 1 17 . 1 1 75 75 LEU CB C 75 45.160 45.160 43.572 1.588 25703 9440 1 17 . 1 1 75 75 LEU H H 75 9.427 9.427 8.909 0.518 25703 9441 1 17 . 1 1 76 76 LEU N N 76 124.814 124.814 124.861 -0.047 25703 9442 1 17 . 1 1 76 76 LEU HA H 76 4.932 4.932 4.774 0.158 25703 9443 1 17 . 1 1 76 76 LEU C C 76 173.732 173.732 175.709 -1.977 25703 9444 1 17 . 1 1 76 76 LEU CA C 76 54.032 54.032 53.635 0.397 25703 9445 1 17 . 1 1 76 76 LEU CB C 76 46.726 46.726 43.368 3.358 25703 9446 1 17 . 1 1 76 76 LEU H H 76 9.240 9.240 9.073 0.167 25703 9447 1 17 . 1 1 77 77 LEU N N 77 123.770 123.770 121.200 2.570 25703 9448 1 17 . 1 1 77 77 LEU HA H 77 5.251 5.251 5.471 -0.220 25703 9449 1 17 . 1 1 77 77 LEU C C 77 174.442 174.442 176.131 -1.689 25703 9450 1 17 . 1 1 77 77 LEU CA C 77 55.087 55.087 53.628 1.459 25703 9451 1 17 . 1 1 77 77 LEU CB C 77 43.250 43.250 42.582 0.668 25703 9452 1 17 . 1 1 77 77 LEU H H 77 8.175 8.175 7.913 0.262 25703 9453 1 17 . 1 1 78 78 PHE N N 78 122.975 122.975 123.050 -0.075 25703 9454 1 17 . 1 1 78 78 PHE HA H 78 5.397 5.397 4.883 0.514 25703 9455 1 17 . 1 1 78 78 PHE C C 78 173.920 173.920 174.806 -0.886 25703 9456 1 17 . 1 1 78 78 PHE CA C 78 56.867 56.867 57.137 -0.270 25703 9457 1 17 . 1 1 78 78 PHE CB C 78 44.858 44.858 43.201 1.657 25703 9458 1 17 . 1 1 78 78 PHE H H 78 9.742 9.742 9.394 0.348 25703 9459 1 17 . 1 1 79 79 LYS N N 79 118.164 118.164 121.930 -3.766 25703 9460 1 17 . 1 1 79 79 LYS HA H 79 4.817 4.817 5.028 -0.211 25703 9461 1 17 . 1 1 79 79 LYS C C 79 177.194 177.194 176.254 0.940 25703 9462 1 17 . 1 1 79 79 LYS CA C 79 57.980 57.980 55.141 2.839 25703 9463 1 17 . 1 1 79 79 LYS CB C 79 37.031 37.031 34.590 2.441 25703 9464 1 17 . 1 1 79 79 LYS H H 79 8.745 8.745 8.738 0.007 25703 9465 1 17 . 1 1 80 80 ASN N N 80 126.660 126.660 124.653 2.007 25703 9466 1 17 . 1 1 80 80 ASN HA H 80 4.291 4.291 4.355 -0.064 25703 9467 1 17 . 1 1 80 80 ASN C C 80 174.868 174.868 175.572 -0.704 25703 9468 1 17 . 1 1 80 80 ASN CA C 80 54.925 54.925 54.200 0.725 25703 9469 1 17 . 1 1 80 80 ASN CB C 80 38.055 38.055 36.393 1.662 25703 9470 1 17 . 1 1 80 80 ASN H H 80 8.893 8.893 9.385 -0.492 25703 9471 1 17 . 1 1 81 81 GLY N N 81 103.991 103.991 105.224 -1.233 25703 9472 1 17 . 1 1 81 81 GLY C C 81 172.724 172.724 174.829 -2.105 25703 9473 1 17 . 1 1 81 81 GLY CA C 81 46.145 46.145 46.308 -0.163 25703 9474 1 17 . 1 1 81 81 GLY H H 81 8.639 8.639 8.898 -0.259 25703 9475 1 17 . 1 1 82 82 LYS N N 82 120.266 120.266 119.063 1.203 25703 9476 1 17 . 1 1 82 82 LYS HA H 82 4.937 4.937 4.526 0.411 25703 9477 1 17 . 1 1 82 82 LYS C C 82 174.364 174.364 176.044 -1.680 25703 9478 1 17 . 1 1 82 82 LYS CA C 82 55.602 55.602 54.804 0.798 25703 9479 1 17 . 1 1 82 82 LYS CB C 82 35.830 35.830 33.103 2.727 25703 9480 1 17 . 1 1 82 82 LYS H H 82 7.576 7.576 8.347 -0.771 25703 9481 1 17 . 1 1 83 83 GLU N N 83 126.445 126.445 117.659 8.786 25703 9482 1 17 . 1 1 83 83 GLU HA H 83 3.867 3.867 3.908 -0.041 25703 9483 1 17 . 1 1 83 83 GLU C C 83 176.728 176.728 174.108 2.620 25703 9484 1 17 . 1 1 83 83 GLU CA C 83 57.345 57.345 57.490 -0.145 25703 9485 1 17 . 1 1 83 83 GLU CB C 83 30.927 30.927 29.758 1.169 25703 9486 1 17 . 1 1 83 83 GLU H H 83 8.819 8.819 7.906 0.913 25703 9487 1 17 . 1 1 84 84 VAL N N 84 123.147 123.147 120.675 2.472 25703 9488 1 17 . 1 1 84 84 VAL HA H 84 4.417 4.417 4.228 0.189 25703 9489 1 17 . 1 1 84 84 VAL C C 84 175.128 175.128 173.898 1.230 25703 9490 1 17 . 1 1 84 84 VAL CA C 84 61.453 61.453 62.127 -0.674 25703 9491 1 17 . 1 1 84 84 VAL CB C 84 33.692 33.692 34.635 -0.943 25703 9492 1 17 . 1 1 84 84 VAL H H 84 9.258 9.258 8.272 0.986 25703 9493 1 17 . 1 1 85 85 ALA N N 85 122.281 122.281 121.248 1.033 25703 9494 1 17 . 1 1 85 85 ALA HA H 85 4.414 4.414 4.560 -0.146 25703 9495 1 17 . 1 1 85 85 ALA C C 85 173.291 173.291 174.072 -0.781 25703 9496 1 17 . 1 1 85 85 ALA CA C 85 53.133 53.133 51.540 1.593 25703 9497 1 17 . 1 1 85 85 ALA CB C 85 22.544 22.544 21.466 1.078 25703 9498 1 17 . 1 1 85 85 ALA H H 85 7.573 7.573 7.744 -0.171 25703 9499 1 17 . 1 1 86 86 LYS N N 86 120.704 120.704 121.780 -1.076 25703 9500 1 17 . 1 1 86 86 LYS HA H 86 4.933 4.933 4.484 0.449 25703 9501 1 17 . 1 1 86 86 LYS C C 86 174.506 174.506 174.763 -0.257 25703 9502 1 17 . 1 1 86 86 LYS CA C 86 55.860 55.860 56.040 -0.180 25703 9503 1 17 . 1 1 86 86 LYS CB C 86 35.979 35.979 34.401 1.578 25703 9504 1 17 . 1 1 86 86 LYS H H 86 8.014 8.014 8.346 -0.332 25703 9505 1 17 . 1 1 87 87 VAL N N 87 126.817 126.817 126.728 0.089 25703 9506 1 17 . 1 1 87 87 VAL HA H 87 4.276 4.276 4.408 -0.132 25703 9507 1 17 . 1 1 87 87 VAL C C 87 174.002 174.002 174.225 -0.223 25703 9508 1 17 . 1 1 87 87 VAL CA C 87 62.070 62.070 61.328 0.742 25703 9509 1 17 . 1 1 87 87 VAL CB C 87 34.958 34.958 34.785 0.173 25703 9510 1 17 . 1 1 87 87 VAL H H 87 9.186 9.186 8.909 0.277 25703 9511 1 17 . 1 1 88 88 VAL N N 88 129.683 129.683 126.700 2.983 25703 9512 1 17 . 1 1 88 88 VAL HA H 88 4.446 4.446 4.367 0.079 25703 9513 1 17 . 1 1 88 88 VAL C C 88 175.594 175.594 174.678 0.916 25703 9514 1 17 . 1 1 88 88 VAL CA C 88 62.462 62.462 61.534 0.928 25703 9515 1 17 . 1 1 88 88 VAL CB C 88 33.275 33.275 32.467 0.808 25703 9516 1 17 . 1 1 88 88 VAL H H 88 9.026 9.026 8.496 0.530 25703 9517 1 17 . 1 1 89 89 GLY N N 89 114.918 114.918 115.678 -0.760 25703 9518 1 17 . 1 1 89 89 GLY CA C 89 44.014 44.014 45.900 -1.886 25703 9519 1 17 . 1 1 89 89 GLY H H 89 8.298 8.298 7.916 0.382 25703 9520 1 17 . 1 1 90 90 ALA HA H 90 4.227 4.227 3.947 0.280 25703 9521 1 17 . 1 1 90 90 ALA C C 90 174.279 174.279 175.353 -1.074 25703 9522 1 17 . 1 1 90 90 ALA CA C 90 50.915 50.915 53.168 -2.253 25703 9523 1 17 . 1 1 90 90 ALA CB C 90 18.480 18.480 18.594 -0.114 25703 9524 1 17 . 1 1 91 91 ASN N N 91 121.022 121.022 118.153 2.869 25703 9525 1 17 . 1 1 91 91 ASN HA H 91 5.114 5.114 4.954 0.160 25703 9526 1 17 . 1 1 91 91 ASN CA C 91 50.500 50.500 50.447 0.053 25703 9527 1 17 . 1 1 91 91 ASN CB C 91 39.514 39.514 38.532 0.982 25703 9528 1 17 . 1 1 91 91 ASN H H 91 7.360 7.360 8.263 -0.903 25703 9529 1 17 . 1 1 92 92 PRO HA H 92 4.116 4.116 4.462 -0.346 25703 9530 1 17 . 1 1 92 92 PRO CA C 92 63.392 63.392 64.791 -1.399 25703 9531 1 17 . 1 1 93 93 ALA HA H 93 4.074 4.074 4.268 -0.194 25703 9532 1 17 . 1 1 93 93 ALA C C 93 179.673 179.673 178.365 1.308 25703 9533 1 17 . 1 1 93 93 ALA CA C 93 55.353 55.353 53.949 1.405 25703 9534 1 17 . 1 1 93 93 ALA CB C 93 18.455 18.455 18.376 0.079 25703 9535 1 17 . 1 1 94 94 ALA N N 94 121.514 121.514 120.058 1.456 25703 9536 1 17 . 1 1 94 94 ALA HA H 94 4.064 4.064 4.213 -0.149 25703 9537 1 17 . 1 1 94 94 ALA C C 94 180.373 180.373 179.138 1.235 25703 9538 1 17 . 1 1 94 94 ALA CA C 94 55.418 55.418 53.966 1.452 25703 9539 1 17 . 1 1 94 94 ALA CB C 94 19.268 19.268 18.407 0.861 25703 9540 1 17 . 1 1 94 94 ALA H H 94 7.228 7.228 8.028 -0.800 25703 9541 1 17 . 1 1 95 95 ILE N N 95 120.330 120.330 119.750 0.580 25703 9542 1 17 . 1 1 95 95 ILE HA H 95 3.358 3.358 3.809 -0.451 25703 9543 1 17 . 1 1 95 95 ILE C C 95 175.639 175.639 176.852 -1.213 25703 9544 1 17 . 1 1 95 95 ILE CA C 95 66.564 66.564 62.584 3.981 25703 9545 1 17 . 1 1 95 95 ILE CB C 95 38.854 38.854 38.043 0.811 25703 9546 1 17 . 1 1 95 95 ILE H H 95 7.738 7.738 7.747 -0.009 25703 9547 1 17 . 1 1 96 96 LYS N N 96 119.846 119.846 119.049 0.797 25703 9548 1 17 . 1 1 96 96 LYS HA H 96 3.144 3.144 3.846 -0.702 25703 9549 1 17 . 1 1 96 96 LYS C C 96 177.288 177.288 179.193 -1.905 25703 9550 1 17 . 1 1 96 96 LYS CA C 96 60.420 60.420 58.980 1.440 25703 9551 1 17 . 1 1 96 96 LYS CB C 96 32.612 32.612 31.223 1.389 25703 9552 1 17 . 1 1 96 96 LYS H H 96 8.087 8.087 7.653 0.434 25703 9553 1 17 . 1 1 97 97 GLN N N 97 116.484 116.484 119.549 -3.065 25703 9554 1 17 . 1 1 97 97 GLN HA H 97 3.848 3.848 4.040 -0.192 25703 9555 1 17 . 1 1 97 97 GLN C C 97 177.461 177.461 178.071 -0.610 25703 9556 1 17 . 1 1 97 97 GLN CA C 97 59.069 59.069 58.825 0.244 25703 9557 1 17 . 1 1 97 97 GLN CB C 97 28.799 28.799 28.262 0.537 25703 9558 1 17 . 1 1 97 97 GLN H H 97 7.700 7.700 7.561 0.139 25703 9559 1 17 . 1 1 98 98 ALA N N 98 121.852 121.852 121.658 0.194 25703 9560 1 17 . 1 1 98 98 ALA HA H 98 3.921 3.921 4.090 -0.169 25703 9561 1 17 . 1 1 98 98 ALA C C 98 174.452 174.452 180.066 -5.614 25703 9562 1 17 . 1 1 98 98 ALA CA C 98 55.207 55.207 54.870 0.337 25703 9563 1 17 . 1 1 98 98 ALA CB C 98 18.356 18.356 18.574 -0.218 25703 9564 1 17 . 1 1 98 98 ALA H H 98 7.456 7.456 7.569 -0.113 25703 9565 1 17 . 1 1 99 99 ILE N N 99 118.810 118.810 118.314 0.496 25703 9566 1 17 . 1 1 99 99 ILE HA H 99 3.037 3.037 3.875 -0.838 25703 9567 1 17 . 1 1 99 99 ILE C C 99 176.476 176.476 177.125 -0.649 25703 9568 1 17 . 1 1 99 99 ILE CA C 99 65.925 65.925 63.533 2.392 25703 9569 1 17 . 1 1 99 99 ILE CB C 99 38.622 38.622 37.270 1.352 25703 9570 1 17 . 1 1 99 99 ILE H H 99 7.692 7.692 8.782 -1.090 25703 9571 1 17 . 1 1 100 100 ALA N N 100 120.478 120.478 120.629 -0.151 25703 9572 1 17 . 1 1 100 100 ALA HA H 100 3.713 3.713 4.253 -0.540 25703 9573 1 17 . 1 1 100 100 ALA C C 100 179.910 179.910 178.766 1.144 25703 9574 1 17 . 1 1 100 100 ALA CA C 100 55.491 55.491 53.547 1.944 25703 9575 1 17 . 1 1 100 100 ALA CB C 100 18.656 18.656 19.329 -0.673 25703 9576 1 17 . 1 1 100 100 ALA H H 100 8.164 8.164 7.684 0.480 25703 9577 1 17 . 1 1 101 101 ALA N N 101 116.616 116.616 120.694 -4.078 25703 9578 1 17 . 1 1 101 101 ALA HA H 101 4.084 4.084 4.067 0.017 25703 9579 1 17 . 1 1 101 101 ALA C C 101 177.705 177.705 178.979 -1.274 25703 9580 1 17 . 1 1 101 101 ALA CA C 101 54.113 54.113 54.188 -0.075 25703 9581 1 17 . 1 1 101 101 ALA CB C 101 19.576 19.576 19.230 0.346 25703 9582 1 17 . 1 1 101 101 ALA H H 101 7.649 7.649 7.893 -0.244 25703 9583 1 17 . 1 1 102 102 ASN N N 102 114.293 114.293 116.527 -2.234 25703 9584 1 17 . 1 1 102 102 ASN HA H 102 4.753 4.753 4.612 0.141 25703 9585 1 17 . 1 1 102 102 ASN C C 102 172.210 172.210 176.406 -4.196 25703 9586 1 17 . 1 1 102 102 ASN CA C 102 54.809 54.809 53.855 0.954 25703 9587 1 17 . 1 1 102 102 ASN CB C 102 43.388 43.388 39.259 4.129 25703 9588 1 17 . 1 1 102 102 ASN H H 102 7.110 7.110 8.026 -0.916 25703 9589 1 18 . 1 1 2 2 VAL N N 2 125.982 125.982 125.290 0.692 25703 9590 1 18 . 1 1 2 2 VAL HA H 2 4.054 4.054 4.460 -0.406 25703 9591 1 18 . 1 1 2 2 VAL CA C 2 61.397 61.397 61.299 0.098 25703 9592 1 18 . 1 1 2 2 VAL CB C 2 32.844 32.844 33.559 -0.715 25703 9593 1 18 . 1 1 2 2 VAL H H 2 8.576 8.576 8.538 0.038 25703 9594 1 18 . 1 1 3 3 THR N N 3 126.926 126.926 122.064 4.862 25703 9595 1 18 . 1 1 3 3 THR HA H 3 4.120 4.120 4.648 -0.528 25703 9596 1 18 . 1 1 3 3 THR C C 3 172.671 172.671 173.110 -0.439 25703 9597 1 18 . 1 1 3 3 THR CA C 3 64.010 64.010 61.216 2.794 25703 9598 1 18 . 1 1 3 3 THR CB C 3 70.030 70.030 70.706 -0.676 25703 9599 1 18 . 1 1 3 3 THR H H 3 7.787 7.787 8.475 -0.688 25703 9600 1 18 . 1 1 4 4 GLN N N 4 128.743 128.743 123.547 5.196 25703 9601 1 18 . 1 1 4 4 GLN HA H 4 4.726 4.726 4.751 -0.025 25703 9602 1 18 . 1 1 4 4 GLN C C 4 176.254 176.254 174.748 1.506 25703 9603 1 18 . 1 1 4 4 GLN CA C 4 54.925 54.925 54.542 0.383 25703 9604 1 18 . 1 1 4 4 GLN CB C 4 30.039 30.039 29.700 0.339 25703 9605 1 18 . 1 1 4 4 GLN H H 4 8.976 8.976 8.332 0.644 25703 9606 1 18 . 1 1 5 5 PHE N N 5 127.295 127.295 123.620 3.675 25703 9607 1 18 . 1 1 5 5 PHE HA H 5 4.793 4.793 4.510 0.283 25703 9608 1 18 . 1 1 5 5 PHE C C 5 175.627 175.627 177.103 -1.476 25703 9609 1 18 . 1 1 5 5 PHE CA C 5 59.080 59.080 56.671 2.409 25703 9610 1 18 . 1 1 5 5 PHE CB C 5 41.083 41.083 40.556 0.527 25703 9611 1 18 . 1 1 5 5 PHE H H 5 8.434 8.434 8.468 -0.034 25703 9612 1 18 . 1 1 6 6 LYS N N 6 120.464 120.464 117.273 3.191 25703 9613 1 18 . 1 1 6 6 LYS HA H 6 4.623 4.623 4.432 0.191 25703 9614 1 18 . 1 1 6 6 LYS C C 6 176.504 176.504 175.467 1.037 25703 9615 1 18 . 1 1 6 6 LYS CA C 6 56.526 56.526 56.230 0.297 25703 9616 1 18 . 1 1 6 6 LYS CB C 6 34.660 34.660 33.697 0.963 25703 9617 1 18 . 1 1 6 6 LYS H H 6 9.821 9.821 8.509 1.312 25703 9618 1 18 . 1 1 7 7 THR N N 7 108.286 108.286 109.451 -1.165 25703 9619 1 18 . 1 1 7 7 THR HA H 7 4.738 4.738 4.605 0.133 25703 9620 1 18 . 1 1 7 7 THR C C 7 173.410 173.410 174.754 -1.344 25703 9621 1 18 . 1 1 7 7 THR CA C 7 59.287 59.287 60.196 -0.909 25703 9622 1 18 . 1 1 7 7 THR CB C 7 73.138 73.138 72.120 1.018 25703 9623 1 18 . 1 1 7 7 THR H H 7 7.467 7.467 7.434 0.033 25703 9624 1 18 . 1 1 8 8 ALA N N 8 125.007 125.007 125.822 -0.815 25703 9625 1 18 . 1 1 8 8 ALA HA H 8 3.705 3.705 4.063 -0.358 25703 9626 1 18 . 1 1 8 8 ALA C C 8 178.859 178.859 179.582 -0.723 25703 9627 1 18 . 1 1 8 8 ALA CA C 8 55.453 55.453 55.409 0.044 25703 9628 1 18 . 1 1 8 8 ALA CB C 8 18.689 18.689 18.102 0.588 25703 9629 1 18 . 1 1 8 8 ALA H H 8 9.038 9.038 8.847 0.191 25703 9630 1 18 . 1 1 9 9 SER N N 9 113.408 113.408 113.563 -0.155 25703 9631 1 18 . 1 1 9 9 SER HA H 9 4.124 4.124 4.091 0.033 25703 9632 1 18 . 1 1 9 9 SER C C 9 176.575 176.575 176.713 -0.138 25703 9633 1 18 . 1 1 9 9 SER CA C 9 61.528 61.528 61.827 -0.299 25703 9634 1 18 . 1 1 9 9 SER CB C 9 62.703 62.703 62.053 0.650 25703 9635 1 18 . 1 1 9 9 SER H H 9 8.159 8.159 8.518 -0.359 25703 9636 1 18 . 1 1 10 10 GLU N N 10 123.005 123.005 121.508 1.497 25703 9637 1 18 . 1 1 10 10 GLU HA H 10 3.853 3.853 3.726 0.127 25703 9638 1 18 . 1 1 10 10 GLU C C 10 178.294 178.294 178.204 0.090 25703 9639 1 18 . 1 1 10 10 GLU CA C 10 59.266 59.266 58.597 0.669 25703 9640 1 18 . 1 1 10 10 GLU CB C 10 31.536 31.536 28.867 2.669 25703 9641 1 18 . 1 1 10 10 GLU H H 10 7.552 7.552 7.441 0.111 25703 9642 1 18 . 1 1 11 11 PHE N N 11 121.633 121.633 120.004 1.629 25703 9643 1 18 . 1 1 11 11 PHE HA H 11 2.864 2.864 3.748 -0.884 25703 9644 1 18 . 1 1 11 11 PHE C C 11 176.786 176.786 176.889 -0.103 25703 9645 1 18 . 1 1 11 11 PHE CA C 11 61.182 61.182 60.860 0.322 25703 9646 1 18 . 1 1 11 11 PHE CB C 11 38.202 38.202 39.257 -1.055 25703 9647 1 18 . 1 1 11 11 PHE H H 11 6.632 6.632 7.506 -0.875 25703 9648 1 18 . 1 1 12 12 ASP N N 12 118.991 118.991 119.302 -0.311 25703 9649 1 18 . 1 1 12 12 ASP HA H 12 3.841 3.841 3.798 0.043 25703 9650 1 18 . 1 1 12 12 ASP C C 12 178.286 178.286 178.395 -0.109 25703 9651 1 18 . 1 1 12 12 ASP CA C 12 57.547 57.547 57.644 -0.097 25703 9652 1 18 . 1 1 12 12 ASP CB C 12 40.790 40.790 40.636 0.154 25703 9653 1 18 . 1 1 12 12 ASP H H 12 7.687 7.687 8.679 -0.992 25703 9654 1 18 . 1 1 13 13 SER N N 13 112.966 112.966 115.418 -2.452 25703 9655 1 18 . 1 1 13 13 SER HA H 13 4.022 4.022 4.098 -0.076 25703 9656 1 18 . 1 1 13 13 SER C C 13 175.827 175.827 175.564 0.263 25703 9657 1 18 . 1 1 13 13 SER CA C 13 61.410 61.410 60.905 0.505 25703 9658 1 18 . 1 1 13 13 SER CB C 13 63.499 63.499 63.044 0.456 25703 9659 1 18 . 1 1 13 13 SER H H 13 7.563 7.563 7.838 -0.275 25703 9660 1 18 . 1 1 14 14 ALA N N 14 124.823 124.823 124.159 0.664 25703 9661 1 18 . 1 1 14 14 ALA HA H 14 4.025 4.025 4.349 -0.324 25703 9662 1 18 . 1 1 14 14 ALA C C 14 179.909 179.909 179.362 0.547 25703 9663 1 18 . 1 1 14 14 ALA CA C 14 54.710 54.710 54.247 0.463 25703 9664 1 18 . 1 1 14 14 ALA CB C 14 19.286 19.286 18.929 0.357 25703 9665 1 18 . 1 1 14 14 ALA H H 14 7.671 7.671 7.187 0.484 25703 9666 1 18 . 1 1 15 15 ILE N N 15 108.002 108.002 115.535 -7.533 25703 9667 1 18 . 1 1 15 15 ILE HA H 15 3.721 3.721 3.862 -0.141 25703 9668 1 18 . 1 1 15 15 ILE C C 15 175.512 175.512 177.000 -1.488 25703 9669 1 18 . 1 1 15 15 ILE CA C 15 64.058 64.058 63.944 0.114 25703 9670 1 18 . 1 1 15 15 ILE CB C 15 38.277 38.277 37.002 1.275 25703 9671 1 18 . 1 1 15 15 ILE H H 15 7.195 7.195 8.120 -0.925 25703 9672 1 18 . 1 1 16 16 ALA N N 16 123.051 123.051 121.045 2.006 25703 9673 1 18 . 1 1 16 16 ALA HA H 16 4.013 4.013 4.240 -0.227 25703 9674 1 18 . 1 1 16 16 ALA C C 16 176.636 176.636 178.040 -1.404 25703 9675 1 18 . 1 1 16 16 ALA CA C 16 52.318 52.318 52.198 0.120 25703 9676 1 18 . 1 1 16 16 ALA CB C 16 18.956 18.956 18.610 0.346 25703 9677 1 18 . 1 1 16 16 ALA H H 16 6.623 6.623 7.545 -0.922 25703 9678 1 18 . 1 1 17 17 GLN N N 17 116.236 116.236 118.966 -2.730 25703 9679 1 18 . 1 1 17 17 GLN HA H 17 4.198 4.198 4.193 0.005 25703 9680 1 18 . 1 1 17 17 GLN C C 17 174.965 174.965 175.173 -0.208 25703 9681 1 18 . 1 1 17 17 GLN CA C 17 56.422 56.422 55.471 0.951 25703 9682 1 18 . 1 1 17 17 GLN CB C 17 34.338 34.338 29.900 4.438 25703 9683 1 18 . 1 1 17 17 GLN H H 17 7.140 7.140 7.893 -0.753 25703 9684 1 18 . 1 1 18 18 ASP N N 18 123.905 123.905 119.014 4.891 25703 9685 1 18 . 1 1 18 18 ASP HA H 18 4.998 4.998 4.912 0.086 25703 9686 1 18 . 1 1 18 18 ASP C C 18 174.817 174.817 175.853 -1.036 25703 9687 1 18 . 1 1 18 18 ASP CB C 18 39.414 39.414 39.644 -0.230 25703 9688 1 18 . 1 1 18 18 ASP H H 18 8.651 8.651 8.707 -0.056 25703 9689 1 18 . 1 1 19 19 LYS N N 19 119.499 119.499 116.722 2.777 25703 9690 1 18 . 1 1 19 19 LYS HA H 19 4.384 4.384 4.537 -0.153 25703 9691 1 18 . 1 1 19 19 LYS C C 19 172.740 172.740 174.836 -2.096 25703 9692 1 18 . 1 1 19 19 LYS CA C 19 55.163 55.163 54.661 0.502 25703 9693 1 18 . 1 1 19 19 LYS CB C 19 34.721 34.721 35.316 -0.595 25703 9694 1 18 . 1 1 19 19 LYS H H 19 7.950 7.950 7.624 0.326 25703 9695 1 18 . 1 1 20 20 LEU N N 20 121.877 121.877 124.053 -2.176 25703 9696 1 18 . 1 1 20 20 LEU HA H 20 4.972 4.972 4.436 0.536 25703 9697 1 18 . 1 1 20 20 LEU C C 20 173.937 173.937 174.966 -1.029 25703 9698 1 18 . 1 1 20 20 LEU CA C 20 57.132 57.132 55.303 1.829 25703 9699 1 18 . 1 1 20 20 LEU CB C 20 42.012 42.012 41.062 0.950 25703 9700 1 18 . 1 1 20 20 LEU H H 20 8.641 8.641 8.962 -0.321 25703 9701 1 18 . 1 1 21 21 VAL N N 21 129.812 129.812 128.844 0.968 25703 9702 1 18 . 1 1 21 21 VAL HA H 21 4.439 4.439 4.766 -0.327 25703 9703 1 18 . 1 1 21 21 VAL C C 21 173.493 173.493 174.657 -1.164 25703 9704 1 18 . 1 1 21 21 VAL CA C 21 62.510 62.510 61.133 1.377 25703 9705 1 18 . 1 1 21 21 VAL CB C 21 34.732 34.732 32.262 2.470 25703 9706 1 18 . 1 1 21 21 VAL H H 21 9.263 9.263 9.338 -0.075 25703 9707 1 18 . 1 1 22 22 VAL N N 22 131.684 131.684 128.961 2.723 25703 9708 1 18 . 1 1 22 22 VAL HA H 22 4.408 4.408 4.806 -0.398 25703 9709 1 18 . 1 1 22 22 VAL C C 22 174.331 174.331 173.868 0.463 25703 9710 1 18 . 1 1 22 22 VAL CA C 22 61.561 61.561 59.733 1.828 25703 9711 1 18 . 1 1 22 22 VAL CB C 22 33.630 33.630 32.693 0.937 25703 9712 1 18 . 1 1 22 22 VAL H H 22 9.006 9.006 8.778 0.228 25703 9713 1 18 . 1 1 23 23 VAL N N 23 126.475 126.475 129.864 -3.389 25703 9714 1 18 . 1 1 23 23 VAL HA H 23 4.422 4.422 5.026 -0.604 25703 9715 1 18 . 1 1 23 23 VAL C C 23 174.342 174.342 174.346 -0.004 25703 9716 1 18 . 1 1 23 23 VAL CA C 23 61.672 61.672 60.029 1.643 25703 9717 1 18 . 1 1 23 23 VAL CB C 23 34.042 34.042 34.651 -0.609 25703 9718 1 18 . 1 1 23 23 VAL H H 23 9.551 9.551 8.166 1.385 25703 9719 1 18 . 1 1 24 24 ALA N N 24 131.649 131.649 129.091 2.558 25703 9720 1 18 . 1 1 24 24 ALA HA H 24 4.953 4.953 5.558 -0.605 25703 9721 1 18 . 1 1 24 24 ALA C C 24 174.683 174.683 177.648 -2.965 25703 9722 1 18 . 1 1 24 24 ALA CA C 24 51.712 51.712 49.342 2.370 25703 9723 1 18 . 1 1 24 24 ALA CB C 24 20.149 20.149 20.777 -0.628 25703 9724 1 18 . 1 1 24 24 ALA H H 24 8.991 8.991 8.423 0.568 25703 9725 1 18 . 1 1 25 25 PHE N N 25 124.535 124.535 126.707 -2.172 25703 9726 1 18 . 1 1 25 25 PHE HA H 25 5.002 5.002 4.357 0.645 25703 9727 1 18 . 1 1 25 25 PHE C C 25 174.231 174.231 174.604 -0.373 25703 9728 1 18 . 1 1 25 25 PHE CA C 25 58.196 58.196 59.154 -0.959 25703 9729 1 18 . 1 1 25 25 PHE CB C 25 40.231 40.231 38.542 1.689 25703 9730 1 18 . 1 1 25 25 PHE H H 25 9.231 9.231 8.596 0.635 25703 9731 1 18 . 1 1 26 26 TYR N N 26 121.986 121.986 121.382 0.604 25703 9732 1 18 . 1 1 26 26 TYR HA H 26 5.112 5.112 4.875 0.237 25703 9733 1 18 . 1 1 26 26 TYR C C 26 170.727 170.727 172.355 -1.628 25703 9734 1 18 . 1 1 26 26 TYR CA C 26 55.240 55.240 56.767 -1.527 25703 9735 1 18 . 1 1 26 26 TYR CB C 26 43.023 43.023 40.777 2.246 25703 9736 1 18 . 1 1 26 26 TYR H H 26 8.869 8.869 8.811 0.058 25703 9737 1 18 . 1 1 27 27 ALA N N 27 117.474 117.474 124.911 -7.437 25703 9738 1 18 . 1 1 27 27 ALA HA H 27 4.329 4.329 4.480 -0.151 25703 9739 1 18 . 1 1 27 27 ALA C C 27 178.755 178.755 177.249 1.506 25703 9740 1 18 . 1 1 27 27 ALA CA C 27 50.966 50.966 49.750 1.216 25703 9741 1 18 . 1 1 27 27 ALA CB C 27 22.735 22.735 20.866 1.869 25703 9742 1 18 . 1 1 27 27 ALA H H 27 6.235 6.235 8.691 -2.456 25703 9743 1 18 . 1 1 28 28 THR N N 28 119.624 119.624 113.215 6.409 25703 9744 1 18 . 1 1 28 28 THR HA H 28 3.907 3.907 4.223 -0.316 25703 9745 1 18 . 1 1 28 28 THR C C 28 174.360 174.360 174.970 -0.610 25703 9746 1 18 . 1 1 28 28 THR CA C 28 65.865 65.865 63.192 2.673 25703 9747 1 18 . 1 1 28 28 THR CB C 28 69.336 69.336 69.017 0.319 25703 9748 1 18 . 1 1 28 28 THR H H 28 10.381 10.381 8.329 2.052 25703 9749 1 18 . 1 1 29 29 TRP N N 29 115.983 115.983 120.333 -4.350 25703 9750 1 18 . 1 1 29 29 TRP HA H 29 4.590 4.590 4.799 -0.209 25703 9751 1 18 . 1 1 29 29 TRP CA C 29 53.924 53.924 55.898 -1.974 25703 9752 1 18 . 1 1 29 29 TRP CB C 29 29.460 29.460 28.574 0.886 25703 9753 1 18 . 1 1 29 29 TRP H H 29 6.472 6.472 7.288 -0.816 25703 9754 1 18 . 1 1 30 30 CYS HA H 30 3.857 3.857 5.121 -1.264 25703 9755 1 18 . 1 1 30 30 CYS CA C 30 58.536 58.536 56.818 1.718 25703 9756 1 18 . 1 1 30 30 CYS CB C 30 37.005 37.005 29.733 7.272 25703 9757 1 18 . 1 1 31 31 GLY CA C 31 48.989 48.989 46.738 2.251 25703 9758 1 18 . 1 1 32 32 PRO HA H 32 4.398 4.398 4.243 0.155 25703 9759 1 18 . 1 1 32 32 PRO C C 32 177.189 177.189 178.394 -1.205 25703 9760 1 18 . 1 1 32 32 PRO CA C 32 65.366 65.366 65.242 0.124 25703 9761 1 18 . 1 1 32 32 PRO CB C 32 32.289 32.289 31.341 0.948 25703 9762 1 18 . 1 1 33 33 CYS N N 33 111.468 111.468 112.623 -1.155 25703 9763 1 18 . 1 1 33 33 CYS HA H 33 4.223 4.223 3.866 0.357 25703 9764 1 18 . 1 1 33 33 CYS CA C 33 65.801 65.801 61.008 4.793 25703 9765 1 18 . 1 1 33 33 CYS CB C 33 34.949 34.949 26.480 8.469 25703 9766 1 18 . 1 1 33 33 CYS H H 33 7.991 7.991 8.123 -0.132 25703 9767 1 18 . 1 1 34 34 LYS HA H 34 3.968 3.968 3.979 -0.011 25703 9768 1 18 . 1 1 34 34 LYS C C 34 178.052 178.052 178.106 -0.054 25703 9769 1 18 . 1 1 34 34 LYS CA C 34 59.661 59.661 59.222 0.439 25703 9770 1 18 . 1 1 34 34 LYS CB C 34 32.513 32.513 32.345 0.168 25703 9771 1 18 . 1 1 35 35 MET N N 35 117.236 117.236 115.869 1.367 25703 9772 1 18 . 1 1 35 35 MET HA H 35 4.194 4.194 4.251 -0.057 25703 9773 1 18 . 1 1 35 35 MET C C 35 177.451 177.451 178.534 -1.083 25703 9774 1 18 . 1 1 35 35 MET CA C 35 57.938 57.938 58.307 -0.369 25703 9775 1 18 . 1 1 35 35 MET CB C 35 32.628 32.628 33.033 -0.405 25703 9776 1 18 . 1 1 35 35 MET H H 35 7.326 7.326 7.587 -0.261 25703 9777 1 18 . 1 1 36 36 ILE N N 36 113.758 113.758 119.222 -5.464 25703 9778 1 18 . 1 1 36 36 ILE HA H 36 4.345 4.345 3.892 0.453 25703 9779 1 18 . 1 1 36 36 ILE C C 36 176.183 176.183 176.688 -0.505 25703 9780 1 18 . 1 1 36 36 ILE CA C 36 60.656 60.656 62.489 -1.833 25703 9781 1 18 . 1 1 36 36 ILE CB C 36 39.657 39.657 37.073 2.584 25703 9782 1 18 . 1 1 36 36 ILE H H 36 7.315 7.315 8.234 -0.919 25703 9783 1 18 . 1 1 37 37 ALA N N 37 126.738 126.738 125.346 1.392 25703 9784 1 18 . 1 1 37 37 ALA HA H 37 4.095 4.095 4.024 0.071 25703 9785 1 18 . 1 1 37 37 ALA CA C 37 57.562 57.562 56.665 0.897 25703 9786 1 18 . 1 1 37 37 ALA CB C 37 15.912 15.912 16.058 -0.146 25703 9787 1 18 . 1 1 37 37 ALA H H 37 7.447 7.447 7.824 -0.377 25703 9788 1 18 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.292 -0.022 25703 9789 1 18 . 1 1 38 38 PRO C C 38 178.922 178.922 178.790 0.132 25703 9790 1 18 . 1 1 38 38 PRO CA C 38 65.743 65.743 65.521 0.222 25703 9791 1 18 . 1 1 38 38 PRO CB C 38 31.224 31.224 31.372 -0.148 25703 9792 1 18 . 1 1 39 39 MET N N 39 118.310 118.310 118.338 -0.028 25703 9793 1 18 . 1 1 39 39 MET HA H 39 3.859 3.859 4.313 -0.454 25703 9794 1 18 . 1 1 39 39 MET C C 39 174.441 174.441 178.963 -4.522 25703 9795 1 18 . 1 1 39 39 MET CA C 39 58.390 58.390 58.458 -0.068 25703 9796 1 18 . 1 1 39 39 MET CB C 39 31.394 31.394 31.777 -0.383 25703 9797 1 18 . 1 1 39 39 MET H H 39 7.063 7.063 7.380 -0.317 25703 9798 1 18 . 1 1 40 40 ILE N N 40 119.013 119.013 118.277 0.736 25703 9799 1 18 . 1 1 40 40 ILE HA H 40 3.595 3.595 3.786 -0.191 25703 9800 1 18 . 1 1 40 40 ILE C C 40 177.267 177.267 178.293 -1.026 25703 9801 1 18 . 1 1 40 40 ILE CA C 40 64.393 64.393 64.691 -0.298 25703 9802 1 18 . 1 1 40 40 ILE CB C 40 36.259 36.259 37.467 -1.208 25703 9803 1 18 . 1 1 40 40 ILE H H 40 7.752 7.752 8.755 -1.003 25703 9804 1 18 . 1 1 41 41 GLU N N 41 119.530 119.530 120.922 -1.392 25703 9805 1 18 . 1 1 41 41 GLU HA H 41 3.572 3.572 4.031 -0.459 25703 9806 1 18 . 1 1 41 41 GLU C C 41 179.597 179.597 178.923 0.674 25703 9807 1 18 . 1 1 41 41 GLU CA C 41 59.878 59.878 59.199 0.679 25703 9808 1 18 . 1 1 41 41 GLU CB C 41 29.900 29.900 29.210 0.690 25703 9809 1 18 . 1 1 41 41 GLU H H 41 7.442 7.442 7.883 -0.441 25703 9810 1 18 . 1 1 42 42 LYS N N 42 122.053 122.053 120.374 1.679 25703 9811 1 18 . 1 1 42 42 LYS HA H 42 3.932 3.932 4.031 -0.099 25703 9812 1 18 . 1 1 42 42 LYS C C 42 179.390 179.390 178.782 0.608 25703 9813 1 18 . 1 1 42 42 LYS CA C 42 59.532 59.532 59.370 0.162 25703 9814 1 18 . 1 1 42 42 LYS CB C 42 31.281 31.281 32.231 -0.950 25703 9815 1 18 . 1 1 42 42 LYS H H 42 7.428 7.428 7.886 -0.458 25703 9816 1 18 . 1 1 43 43 PHE N N 43 120.250 120.250 118.563 1.687 25703 9817 1 18 . 1 1 43 43 PHE HA H 43 4.639 4.639 4.262 0.377 25703 9818 1 18 . 1 1 43 43 PHE C C 43 177.337 177.337 176.664 0.673 25703 9819 1 18 . 1 1 43 43 PHE CA C 43 59.331 59.331 60.197 -0.866 25703 9820 1 18 . 1 1 43 43 PHE CB C 43 37.737 37.737 38.694 -0.957 25703 9821 1 18 . 1 1 43 43 PHE H H 43 8.337 8.337 8.536 -0.199 25703 9822 1 18 . 1 1 44 44 SER N N 44 117.203 117.203 113.796 3.407 25703 9823 1 18 . 1 1 44 44 SER HA H 44 2.967 2.967 2.679 0.288 25703 9824 1 18 . 1 1 44 44 SER C C 44 174.934 174.934 174.804 0.130 25703 9825 1 18 . 1 1 44 44 SER CA C 44 61.159 61.159 58.794 2.365 25703 9826 1 18 . 1 1 44 44 SER CB C 44 62.353 62.353 62.952 -0.598 25703 9827 1 18 . 1 1 44 44 SER H H 44 7.754 7.754 7.403 0.351 25703 9828 1 18 . 1 1 45 45 GLU N N 45 121.664 121.664 120.413 1.251 25703 9829 1 18 . 1 1 45 45 GLU HA H 45 4.049 4.049 4.159 -0.110 25703 9830 1 18 . 1 1 45 45 GLU C C 45 177.360 177.360 176.960 0.400 25703 9831 1 18 . 1 1 45 45 GLU CA C 45 57.739 57.739 57.809 -0.070 25703 9832 1 18 . 1 1 45 45 GLU CB C 45 30.191 30.191 30.257 -0.066 25703 9833 1 18 . 1 1 45 45 GLU H H 45 6.884 6.884 7.542 -0.658 25703 9834 1 18 . 1 1 46 46 GLN N N 46 118.766 118.766 117.520 1.246 25703 9835 1 18 . 1 1 46 46 GLN HA H 46 3.948 3.948 4.368 -0.420 25703 9836 1 18 . 1 1 46 46 GLN C C 46 177.431 177.431 175.100 2.331 25703 9837 1 18 . 1 1 46 46 GLN CA C 46 58.372 58.372 55.126 3.246 25703 9838 1 18 . 1 1 46 46 GLN CB C 46 30.160 30.160 28.816 1.344 25703 9839 1 18 . 1 1 46 46 GLN H H 46 7.551 7.551 7.131 0.420 25703 9840 1 18 . 1 1 47 47 TYR N N 47 117.012 117.012 117.340 -0.328 25703 9841 1 18 . 1 1 47 47 TYR HA H 47 4.971 4.971 4.983 -0.012 25703 9842 1 18 . 1 1 47 47 TYR CA C 47 56.523 56.523 52.741 3.782 25703 9843 1 18 . 1 1 47 47 TYR CB C 47 38.479 38.479 36.352 2.127 25703 9844 1 18 . 1 1 47 47 TYR H H 47 7.426 7.426 8.049 -0.623 25703 9845 1 18 . 1 1 48 48 PRO HA H 48 4.388 4.388 4.192 0.196 25703 9846 1 18 . 1 1 48 48 PRO C C 48 176.927 176.927 176.824 0.103 25703 9847 1 18 . 1 1 48 48 PRO CA C 48 65.425 65.425 64.980 0.445 25703 9848 1 18 . 1 1 48 48 PRO CB C 48 32.619 32.619 31.873 0.746 25703 9849 1 18 . 1 1 49 49 GLN N N 49 120.194 120.194 114.534 5.660 25703 9850 1 18 . 1 1 49 49 GLN HA H 49 4.369 4.369 4.335 0.034 25703 9851 1 18 . 1 1 49 49 GLN C C 49 174.438 174.438 174.263 0.175 25703 9852 1 18 . 1 1 49 49 GLN CA C 49 56.832 56.832 54.706 2.126 25703 9853 1 18 . 1 1 49 49 GLN CB C 49 28.164 28.164 28.793 -0.628 25703 9854 1 18 . 1 1 49 49 GLN H H 49 9.624 9.624 8.455 1.169 25703 9855 1 18 . 1 1 50 50 ALA N N 50 128.180 128.180 122.314 5.866 25703 9856 1 18 . 1 1 50 50 ALA HA H 50 5.048 5.048 4.563 0.485 25703 9857 1 18 . 1 1 50 50 ALA C C 50 174.685 174.685 175.813 -1.128 25703 9858 1 18 . 1 1 50 50 ALA CA C 50 50.518 50.518 50.642 -0.124 25703 9859 1 18 . 1 1 50 50 ALA CB C 50 22.754 22.754 21.689 1.065 25703 9860 1 18 . 1 1 50 50 ALA H H 50 8.179 8.179 7.176 1.003 25703 9861 1 18 . 1 1 51 51 ASP N N 51 121.032 121.032 120.088 0.944 25703 9862 1 18 . 1 1 51 51 ASP HA H 51 5.102 5.102 5.020 0.082 25703 9863 1 18 . 1 1 51 51 ASP C C 51 174.171 174.171 174.499 -0.328 25703 9864 1 18 . 1 1 51 51 ASP CA C 51 53.515 53.515 53.466 0.049 25703 9865 1 18 . 1 1 51 51 ASP CB C 51 44.782 44.782 44.446 0.336 25703 9866 1 18 . 1 1 51 51 ASP H H 51 8.435 8.435 8.798 -0.363 25703 9867 1 18 . 1 1 52 52 PHE N N 52 121.696 121.696 121.701 -0.005 25703 9868 1 18 . 1 1 52 52 PHE HA H 52 5.172 5.172 5.033 0.139 25703 9869 1 18 . 1 1 52 52 PHE C C 52 174.110 174.110 174.170 -0.060 25703 9870 1 18 . 1 1 52 52 PHE CA C 52 57.189 57.189 56.388 0.801 25703 9871 1 18 . 1 1 52 52 PHE CB C 52 42.291 42.291 41.441 0.850 25703 9872 1 18 . 1 1 52 52 PHE H H 52 8.983 8.983 8.897 0.086 25703 9873 1 18 . 1 1 53 53 TYR N N 53 122.042 122.042 122.214 -0.172 25703 9874 1 18 . 1 1 53 53 TYR HA H 53 5.495 5.495 5.372 0.123 25703 9875 1 18 . 1 1 53 53 TYR C C 53 174.002 174.002 174.919 -0.917 25703 9876 1 18 . 1 1 53 53 TYR CA C 53 56.214 56.214 55.983 0.231 25703 9877 1 18 . 1 1 53 53 TYR CB C 53 46.407 46.407 42.501 3.906 25703 9878 1 18 . 1 1 53 53 TYR H H 53 9.362 9.362 9.283 0.079 25703 9879 1 18 . 1 1 54 54 LYS N N 54 116.808 116.808 120.692 -3.884 25703 9880 1 18 . 1 1 54 54 LYS HA H 54 5.505 5.505 4.847 0.658 25703 9881 1 18 . 1 1 54 54 LYS C C 54 172.792 172.792 174.844 -2.052 25703 9882 1 18 . 1 1 54 54 LYS CA C 54 53.943 53.943 55.493 -1.550 25703 9883 1 18 . 1 1 54 54 LYS CB C 54 36.950 36.950 35.991 0.959 25703 9884 1 18 . 1 1 54 54 LYS H H 54 8.463 8.463 8.954 -0.491 25703 9885 1 18 . 1 1 55 55 LEU N N 55 123.826 123.826 124.962 -1.136 25703 9886 1 18 . 1 1 55 55 LEU HA H 55 4.472 4.472 4.190 0.282 25703 9887 1 18 . 1 1 55 55 LEU C C 55 171.652 171.652 176.013 -4.361 25703 9888 1 18 . 1 1 55 55 LEU CA C 55 55.906 55.906 54.287 1.619 25703 9889 1 18 . 1 1 55 55 LEU CB C 55 46.528 46.528 42.919 3.609 25703 9890 1 18 . 1 1 55 55 LEU H H 55 8.688 8.688 8.559 0.129 25703 9891 1 18 . 1 1 56 56 ASP N N 56 127.169 127.169 124.415 2.754 25703 9892 1 18 . 1 1 56 56 ASP HA H 56 4.130 4.130 4.489 -0.359 25703 9893 1 18 . 1 1 56 56 ASP C C 56 177.692 177.692 177.047 0.645 25703 9894 1 18 . 1 1 56 56 ASP CA C 56 54.074 54.074 55.199 -1.125 25703 9895 1 18 . 1 1 56 56 ASP CB C 56 41.388 41.388 39.943 1.445 25703 9896 1 18 . 1 1 56 56 ASP H H 56 8.595 8.595 8.684 -0.089 25703 9897 1 18 . 1 1 57 57 VAL N N 57 123.562 123.562 123.382 0.180 25703 9898 1 18 . 1 1 57 57 VAL HA H 57 3.491 3.491 3.744 -0.253 25703 9899 1 18 . 1 1 57 57 VAL C C 57 175.413 175.413 175.679 -0.266 25703 9900 1 18 . 1 1 57 57 VAL CA C 57 65.095 65.095 64.574 0.521 25703 9901 1 18 . 1 1 57 57 VAL CB C 57 31.658 31.658 32.122 -0.464 25703 9902 1 18 . 1 1 57 57 VAL H H 57 8.712 8.712 7.499 1.213 25703 9903 1 18 . 1 1 58 58 ASP N N 58 120.070 120.070 117.892 2.178 25703 9904 1 18 . 1 1 58 58 ASP HA H 58 4.827 4.827 4.559 0.268 25703 9905 1 18 . 1 1 58 58 ASP C C 58 177.131 177.131 177.998 -0.867 25703 9906 1 18 . 1 1 58 58 ASP CA C 58 57.693 57.693 56.515 1.178 25703 9907 1 18 . 1 1 58 58 ASP CB C 58 40.827 40.827 41.235 -0.408 25703 9908 1 18 . 1 1 58 58 ASP H H 58 8.670 8.670 8.114 0.556 25703 9909 1 18 . 1 1 59 59 GLU N N 59 120.889 120.889 120.216 0.673 25703 9910 1 18 . 1 1 59 59 GLU HA H 59 4.358 4.358 4.311 0.047 25703 9911 1 18 . 1 1 59 59 GLU C C 59 176.606 176.606 177.827 -1.221 25703 9912 1 18 . 1 1 59 59 GLU CA C 59 57.881 57.881 58.034 -0.153 25703 9913 1 18 . 1 1 59 59 GLU CB C 59 32.138 32.138 30.290 1.848 25703 9914 1 18 . 1 1 59 59 GLU H H 59 7.616 7.616 7.840 -0.224 25703 9915 1 18 . 1 1 60 60 LEU N N 60 122.457 122.457 121.006 1.451 25703 9916 1 18 . 1 1 60 60 LEU HA H 60 4.916 4.916 4.696 0.220 25703 9917 1 18 . 1 1 60 60 LEU C C 60 176.538 176.538 176.902 -0.364 25703 9918 1 18 . 1 1 60 60 LEU CA C 60 52.864 52.864 53.021 -0.157 25703 9919 1 18 . 1 1 60 60 LEU CB C 60 42.270 42.270 39.471 2.800 25703 9920 1 18 . 1 1 60 60 LEU H H 60 7.690 7.690 8.528 -0.838 25703 9921 1 18 . 1 1 61 61 GLY N N 61 112.065 112.065 109.423 2.642 25703 9922 1 18 . 1 1 61 61 GLY C C 61 175.917 175.917 175.521 0.396 25703 9923 1 18 . 1 1 61 61 GLY CA C 61 48.760 48.760 46.755 2.005 25703 9924 1 18 . 1 1 61 61 GLY H H 61 8.267 8.267 7.744 0.523 25703 9925 1 18 . 1 1 62 62 ASP N N 62 120.904 120.904 120.965 -0.061 25703 9926 1 18 . 1 1 62 62 ASP HA H 62 4.302 4.302 4.433 -0.131 25703 9927 1 18 . 1 1 62 62 ASP C C 62 178.355 178.355 178.018 0.337 25703 9928 1 18 . 1 1 62 62 ASP CA C 62 57.045 57.045 57.713 -0.668 25703 9929 1 18 . 1 1 62 62 ASP CB C 62 39.646 39.646 40.675 -1.029 25703 9930 1 18 . 1 1 62 62 ASP H H 62 9.155 9.155 8.379 0.776 25703 9931 1 18 . 1 1 63 63 VAL N N 63 121.465 121.465 119.879 1.586 25703 9932 1 18 . 1 1 63 63 VAL HA H 63 3.310 3.310 3.824 -0.514 25703 9933 1 18 . 1 1 63 63 VAL C C 63 178.724 178.724 176.850 1.874 25703 9934 1 18 . 1 1 63 63 VAL CA C 63 65.878 65.878 65.084 0.794 25703 9935 1 18 . 1 1 63 63 VAL CB C 63 31.718 31.718 31.927 -0.208 25703 9936 1 18 . 1 1 63 63 VAL H H 63 7.263 7.263 7.761 -0.498 25703 9937 1 18 . 1 1 64 64 ALA N N 64 123.341 123.341 121.550 1.791 25703 9938 1 18 . 1 1 64 64 ALA HA H 64 3.774 3.774 3.363 0.411 25703 9939 1 18 . 1 1 64 64 ALA C C 64 177.984 177.984 179.497 -1.513 25703 9940 1 18 . 1 1 64 64 ALA CA C 64 56.326 56.326 55.060 1.266 25703 9941 1 18 . 1 1 64 64 ALA CB C 64 18.296 18.296 18.121 0.175 25703 9942 1 18 . 1 1 64 64 ALA H H 64 7.248 7.248 7.683 -0.435 25703 9943 1 18 . 1 1 65 65 GLN N N 65 118.749 118.749 117.352 1.397 25703 9944 1 18 . 1 1 65 65 GLN HA H 65 4.013 4.013 3.979 0.034 25703 9945 1 18 . 1 1 65 65 GLN CA C 65 59.524 59.524 58.508 1.016 25703 9946 1 18 . 1 1 65 65 GLN CB C 65 28.802 28.802 28.593 0.209 25703 9947 1 18 . 1 1 65 65 GLN H H 65 8.276 8.276 7.871 0.405 25703 9948 1 18 . 1 1 66 66 LYS N N 66 120.950 120.950 120.720 0.230 25703 9949 1 18 . 1 1 66 66 LYS HA H 66 4.033 4.033 4.035 -0.002 25703 9950 1 18 . 1 1 66 66 LYS C C 66 176.439 176.439 178.071 -1.632 25703 9951 1 18 . 1 1 66 66 LYS CA C 66 59.276 59.276 58.937 0.339 25703 9952 1 18 . 1 1 66 66 LYS CB C 66 32.706 32.706 32.290 0.416 25703 9953 1 18 . 1 1 66 66 LYS H H 66 7.984 7.984 7.659 0.325 25703 9954 1 18 . 1 1 67 67 ASN N N 67 115.512 115.512 114.474 1.038 25703 9955 1 18 . 1 1 67 67 ASN HA H 67 4.698 4.698 4.880 -0.182 25703 9956 1 18 . 1 1 67 67 ASN C C 67 171.075 171.075 173.712 -2.637 25703 9957 1 18 . 1 1 67 67 ASN CA C 67 54.555 54.555 53.278 1.277 25703 9958 1 18 . 1 1 67 67 ASN CB C 67 40.572 40.572 38.694 1.878 25703 9959 1 18 . 1 1 67 67 ASN H H 67 7.052 7.052 7.512 -0.460 25703 9960 1 18 . 1 1 68 68 GLU N N 68 115.540 115.540 115.669 -0.129 25703 9961 1 18 . 1 1 68 68 GLU HA H 68 3.724 3.724 3.821 -0.097 25703 9962 1 18 . 1 1 68 68 GLU C C 68 175.135 175.135 174.978 0.157 25703 9963 1 18 . 1 1 68 68 GLU CA C 68 57.472 57.472 56.733 0.740 25703 9964 1 18 . 1 1 68 68 GLU CB C 68 27.320 27.320 27.289 0.031 25703 9965 1 18 . 1 1 68 68 GLU H H 68 7.708 7.708 7.547 0.161 25703 9966 1 18 . 1 1 69 69 VAL N N 69 121.037 121.037 119.786 1.251 25703 9967 1 18 . 1 1 69 69 VAL HA H 69 3.891 3.891 3.853 0.038 25703 9968 1 18 . 1 1 69 69 VAL C C 69 174.845 174.845 176.074 -1.229 25703 9969 1 18 . 1 1 69 69 VAL CA C 69 63.315 63.315 63.164 0.150 25703 9970 1 18 . 1 1 69 69 VAL CB C 69 31.259 31.259 30.763 0.496 25703 9971 1 18 . 1 1 69 69 VAL H H 69 7.786 7.786 8.153 -0.367 25703 9972 1 18 . 1 1 70 70 SER N N 70 123.071 123.071 123.035 0.036 25703 9973 1 18 . 1 1 70 70 SER HA H 70 4.453 4.453 4.536 -0.083 25703 9974 1 18 . 1 1 70 70 SER C C 70 172.450 172.450 174.108 -1.658 25703 9975 1 18 . 1 1 70 70 SER CA C 70 58.194 58.194 58.214 -0.020 25703 9976 1 18 . 1 1 70 70 SER CB C 70 65.148 65.148 64.271 0.877 25703 9977 1 18 . 1 1 70 70 SER H H 70 8.556 8.556 8.478 0.078 25703 9978 1 18 . 1 1 71 71 ALA N N 71 127.000 127.000 127.029 -0.029 25703 9979 1 18 . 1 1 71 71 ALA HA H 71 4.554 4.554 4.489 0.065 25703 9980 1 18 . 1 1 71 71 ALA C C 71 175.018 175.018 176.164 -1.146 25703 9981 1 18 . 1 1 71 71 ALA CA C 71 51.898 51.898 51.959 -0.061 25703 9982 1 18 . 1 1 71 71 ALA CB C 71 21.560 21.560 19.613 1.947 25703 9983 1 18 . 1 1 71 71 ALA H H 71 7.884 7.884 8.120 -0.236 25703 9984 1 18 . 1 1 72 72 MET N N 72 120.240 120.240 122.341 -2.101 25703 9985 1 18 . 1 1 72 72 MET HA H 72 4.827 4.827 5.303 -0.476 25703 9986 1 18 . 1 1 72 72 MET CA C 72 57.888 57.888 51.109 6.779 25703 9987 1 18 . 1 1 72 72 MET CB C 72 36.102 36.102 33.018 3.084 25703 9988 1 18 . 1 1 72 72 MET H H 72 8.664 8.664 8.481 0.183 25703 9989 1 18 . 1 1 73 73 PRO HA H 73 4.988 4.988 5.057 -0.069 25703 9990 1 18 . 1 1 73 73 PRO C C 73 175.162 175.162 176.043 -0.881 25703 9991 1 18 . 1 1 73 73 PRO CA C 73 64.042 64.042 62.094 1.948 25703 9992 1 18 . 1 1 73 73 PRO CB C 73 35.151 35.151 33.871 1.280 25703 9993 1 18 . 1 1 74 74 THR N N 74 114.942 114.942 115.339 -0.397 25703 9994 1 18 . 1 1 74 74 THR HA H 74 4.995 4.995 4.642 0.353 25703 9995 1 18 . 1 1 74 74 THR C C 74 170.891 170.891 173.848 -2.957 25703 9996 1 18 . 1 1 74 74 THR CA C 74 63.926 63.926 62.476 1.450 25703 9997 1 18 . 1 1 74 74 THR CB C 74 73.856 73.856 70.436 3.420 25703 9998 1 18 . 1 1 74 74 THR H H 74 7.490 7.490 8.298 -0.808 25703 9999 1 18 . 1 1 75 75 LEU N N 75 132.149 132.149 129.441 2.708 25703 10000 1 18 . 1 1 75 75 LEU HA H 75 5.493 5.493 4.699 0.794 25703 10001 1 18 . 1 1 75 75 LEU C C 75 174.331 174.331 174.616 -0.285 25703 10002 1 18 . 1 1 75 75 LEU CA C 75 53.852 53.852 54.122 -0.270 25703 10003 1 18 . 1 1 75 75 LEU CB C 75 45.160 45.160 41.975 3.185 25703 10004 1 18 . 1 1 75 75 LEU H H 75 9.427 9.427 8.923 0.504 25703 10005 1 18 . 1 1 76 76 LEU N N 76 124.814 124.814 125.256 -0.442 25703 10006 1 18 . 1 1 76 76 LEU HA H 76 4.932 4.932 4.739 0.193 25703 10007 1 18 . 1 1 76 76 LEU C C 76 173.732 173.732 175.566 -1.834 25703 10008 1 18 . 1 1 76 76 LEU CA C 76 54.032 54.032 53.608 0.424 25703 10009 1 18 . 1 1 76 76 LEU CB C 76 46.726 46.726 43.322 3.404 25703 10010 1 18 . 1 1 76 76 LEU H H 76 9.240 9.240 8.247 0.993 25703 10011 1 18 . 1 1 77 77 LEU N N 77 123.770 123.770 121.271 2.499 25703 10012 1 18 . 1 1 77 77 LEU HA H 77 5.251 5.251 4.881 0.370 25703 10013 1 18 . 1 1 77 77 LEU C C 77 174.442 174.442 176.174 -1.732 25703 10014 1 18 . 1 1 77 77 LEU CA C 77 55.087 55.087 54.123 0.965 25703 10015 1 18 . 1 1 77 77 LEU CB C 77 43.250 43.250 41.459 1.791 25703 10016 1 18 . 1 1 77 77 LEU H H 77 8.175 8.175 7.810 0.365 25703 10017 1 18 . 1 1 78 78 PHE N N 78 122.975 122.975 125.208 -2.233 25703 10018 1 18 . 1 1 78 78 PHE HA H 78 5.397 5.397 4.873 0.524 25703 10019 1 18 . 1 1 78 78 PHE C C 78 173.920 173.920 174.991 -1.071 25703 10020 1 18 . 1 1 78 78 PHE CA C 78 56.867 56.867 57.564 -0.697 25703 10021 1 18 . 1 1 78 78 PHE CB C 78 44.858 44.858 42.264 2.594 25703 10022 1 18 . 1 1 78 78 PHE H H 78 9.742 9.742 9.554 0.188 25703 10023 1 18 . 1 1 79 79 LYS N N 79 118.164 118.164 121.944 -3.780 25703 10024 1 18 . 1 1 79 79 LYS HA H 79 4.817 4.817 5.028 -0.211 25703 10025 1 18 . 1 1 79 79 LYS C C 79 177.194 177.194 176.059 1.135 25703 10026 1 18 . 1 1 79 79 LYS CA C 79 57.980 57.980 55.769 2.212 25703 10027 1 18 . 1 1 79 79 LYS CB C 79 37.031 37.031 35.495 1.536 25703 10028 1 18 . 1 1 79 79 LYS H H 79 8.745 8.745 8.781 -0.036 25703 10029 1 18 . 1 1 80 80 ASN N N 80 126.660 126.660 122.891 3.769 25703 10030 1 18 . 1 1 80 80 ASN HA H 80 4.291 4.291 4.576 -0.285 25703 10031 1 18 . 1 1 80 80 ASN C C 80 174.868 174.868 175.679 -0.811 25703 10032 1 18 . 1 1 80 80 ASN CA C 80 54.925 54.925 54.759 0.166 25703 10033 1 18 . 1 1 80 80 ASN CB C 80 38.055 38.055 37.359 0.696 25703 10034 1 18 . 1 1 80 80 ASN H H 80 8.893 8.893 9.522 -0.629 25703 10035 1 18 . 1 1 81 81 GLY N N 81 103.991 103.991 105.058 -1.067 25703 10036 1 18 . 1 1 81 81 GLY C C 81 172.724 172.724 174.829 -2.105 25703 10037 1 18 . 1 1 81 81 GLY CA C 81 46.145 46.145 46.118 0.027 25703 10038 1 18 . 1 1 81 81 GLY H H 81 8.639 8.639 8.678 -0.039 25703 10039 1 18 . 1 1 82 82 LYS N N 82 120.266 120.266 118.947 1.319 25703 10040 1 18 . 1 1 82 82 LYS HA H 82 4.937 4.937 4.530 0.407 25703 10041 1 18 . 1 1 82 82 LYS C C 82 174.364 174.364 176.094 -1.730 25703 10042 1 18 . 1 1 82 82 LYS CA C 82 55.602 55.602 54.649 0.953 25703 10043 1 18 . 1 1 82 82 LYS CB C 82 35.830 35.830 33.044 2.786 25703 10044 1 18 . 1 1 82 82 LYS H H 82 7.576 7.576 8.112 -0.536 25703 10045 1 18 . 1 1 83 83 GLU N N 83 126.445 126.445 116.967 9.478 25703 10046 1 18 . 1 1 83 83 GLU HA H 83 3.867 3.867 4.117 -0.250 25703 10047 1 18 . 1 1 83 83 GLU C C 83 176.728 176.728 174.476 2.252 25703 10048 1 18 . 1 1 83 83 GLU CA C 83 57.345 57.345 57.593 -0.248 25703 10049 1 18 . 1 1 83 83 GLU CB C 83 30.927 30.927 29.795 1.132 25703 10050 1 18 . 1 1 83 83 GLU H H 83 8.819 8.819 8.082 0.737 25703 10051 1 18 . 1 1 84 84 VAL N N 84 123.147 123.147 118.224 4.923 25703 10052 1 18 . 1 1 84 84 VAL HA H 84 4.417 4.417 4.190 0.227 25703 10053 1 18 . 1 1 84 84 VAL C C 84 175.128 175.128 173.588 1.540 25703 10054 1 18 . 1 1 84 84 VAL CA C 84 61.453 61.453 62.199 -0.746 25703 10055 1 18 . 1 1 84 84 VAL CB C 84 33.692 33.692 33.823 -0.131 25703 10056 1 18 . 1 1 84 84 VAL H H 84 9.258 9.258 8.355 0.903 25703 10057 1 18 . 1 1 85 85 ALA N N 85 122.281 122.281 121.493 0.788 25703 10058 1 18 . 1 1 85 85 ALA HA H 85 4.414 4.414 4.599 -0.185 25703 10059 1 18 . 1 1 85 85 ALA C C 85 173.291 173.291 174.014 -0.723 25703 10060 1 18 . 1 1 85 85 ALA CA C 85 53.133 53.133 51.708 1.425 25703 10061 1 18 . 1 1 85 85 ALA CB C 85 22.544 22.544 21.525 1.019 25703 10062 1 18 . 1 1 85 85 ALA H H 85 7.573 7.573 7.787 -0.214 25703 10063 1 18 . 1 1 86 86 LYS N N 86 120.704 120.704 121.162 -0.458 25703 10064 1 18 . 1 1 86 86 LYS HA H 86 4.933 4.933 4.425 0.508 25703 10065 1 18 . 1 1 86 86 LYS C C 86 174.506 174.506 174.578 -0.072 25703 10066 1 18 . 1 1 86 86 LYS CA C 86 55.860 55.860 55.851 0.009 25703 10067 1 18 . 1 1 86 86 LYS CB C 86 35.979 35.979 35.568 0.411 25703 10068 1 18 . 1 1 86 86 LYS H H 86 8.014 8.014 8.260 -0.246 25703 10069 1 18 . 1 1 87 87 VAL N N 87 126.817 126.817 127.285 -0.468 25703 10070 1 18 . 1 1 87 87 VAL HA H 87 4.276 4.276 4.407 -0.131 25703 10071 1 18 . 1 1 87 87 VAL C C 87 174.002 174.002 174.442 -0.440 25703 10072 1 18 . 1 1 87 87 VAL CA C 87 62.070 62.070 60.623 1.446 25703 10073 1 18 . 1 1 87 87 VAL CB C 87 34.958 34.958 34.899 0.059 25703 10074 1 18 . 1 1 87 87 VAL H H 87 9.186 9.186 9.216 -0.030 25703 10075 1 18 . 1 1 88 88 VAL N N 88 129.683 129.683 124.326 5.357 25703 10076 1 18 . 1 1 88 88 VAL HA H 88 4.446 4.446 4.309 0.137 25703 10077 1 18 . 1 1 88 88 VAL C C 88 175.594 175.594 175.503 0.091 25703 10078 1 18 . 1 1 88 88 VAL CA C 88 62.462 62.462 61.463 0.999 25703 10079 1 18 . 1 1 88 88 VAL CB C 88 33.275 33.275 31.643 1.632 25703 10080 1 18 . 1 1 88 88 VAL H H 88 9.026 9.026 8.494 0.532 25703 10081 1 18 . 1 1 89 89 GLY N N 89 114.918 114.918 113.767 1.151 25703 10082 1 18 . 1 1 89 89 GLY CA C 89 44.014 44.014 45.694 -1.680 25703 10083 1 18 . 1 1 89 89 GLY H H 89 8.298 8.298 7.654 0.644 25703 10084 1 18 . 1 1 90 90 ALA HA H 90 4.227 4.227 4.219 0.008 25703 10085 1 18 . 1 1 90 90 ALA C C 90 174.279 174.279 177.266 -2.987 25703 10086 1 18 . 1 1 90 90 ALA CA C 90 50.915 50.915 52.336 -1.421 25703 10087 1 18 . 1 1 90 90 ALA CB C 90 18.480 18.480 18.049 0.431 25703 10088 1 18 . 1 1 91 91 ASN N N 91 121.022 121.022 122.252 -1.230 25703 10089 1 18 . 1 1 91 91 ASN HA H 91 5.114 5.114 4.990 0.124 25703 10090 1 18 . 1 1 91 91 ASN CA C 91 50.500 50.500 50.393 0.107 25703 10091 1 18 . 1 1 91 91 ASN CB C 91 39.514 39.514 37.787 1.727 25703 10092 1 18 . 1 1 91 91 ASN H H 91 7.360 7.360 7.905 -0.545 25703 10093 1 18 . 1 1 92 92 PRO HA H 92 4.116 4.116 4.174 -0.058 25703 10094 1 18 . 1 1 92 92 PRO CA C 92 63.392 63.392 64.629 -1.237 25703 10095 1 18 . 1 1 93 93 ALA HA H 93 4.074 4.074 4.173 -0.099 25703 10096 1 18 . 1 1 93 93 ALA C C 93 179.673 179.673 178.599 1.074 25703 10097 1 18 . 1 1 93 93 ALA CA C 93 55.353 55.353 53.704 1.649 25703 10098 1 18 . 1 1 93 93 ALA CB C 93 18.455 18.455 18.377 0.078 25703 10099 1 18 . 1 1 94 94 ALA N N 94 121.514 121.514 120.921 0.593 25703 10100 1 18 . 1 1 94 94 ALA HA H 94 4.064 4.064 4.119 -0.055 25703 10101 1 18 . 1 1 94 94 ALA C C 94 180.373 180.373 179.128 1.245 25703 10102 1 18 . 1 1 94 94 ALA CA C 94 55.418 55.418 54.003 1.415 25703 10103 1 18 . 1 1 94 94 ALA CB C 94 19.268 19.268 18.200 1.069 25703 10104 1 18 . 1 1 94 94 ALA H H 94 7.228 7.228 7.993 -0.765 25703 10105 1 18 . 1 1 95 95 ILE N N 95 120.330 120.330 119.926 0.404 25703 10106 1 18 . 1 1 95 95 ILE HA H 95 3.358 3.358 3.613 -0.255 25703 10107 1 18 . 1 1 95 95 ILE C C 95 175.639 175.639 177.275 -1.636 25703 10108 1 18 . 1 1 95 95 ILE CA C 95 66.564 66.564 62.977 3.587 25703 10109 1 18 . 1 1 95 95 ILE CB C 95 38.854 38.854 37.627 1.228 25703 10110 1 18 . 1 1 95 95 ILE H H 95 7.738 7.738 7.654 0.084 25703 10111 1 18 . 1 1 96 96 LYS N N 96 119.846 119.846 119.056 0.790 25703 10112 1 18 . 1 1 96 96 LYS HA H 96 3.144 3.144 4.052 -0.908 25703 10113 1 18 . 1 1 96 96 LYS C C 96 177.288 177.288 179.129 -1.841 25703 10114 1 18 . 1 1 96 96 LYS CA C 96 60.420 60.420 59.316 1.104 25703 10115 1 18 . 1 1 96 96 LYS CB C 96 32.612 32.612 31.449 1.163 25703 10116 1 18 . 1 1 96 96 LYS H H 96 8.087 8.087 7.795 0.292 25703 10117 1 18 . 1 1 97 97 GLN N N 97 116.484 116.484 119.070 -2.586 25703 10118 1 18 . 1 1 97 97 GLN HA H 97 3.848 3.848 4.067 -0.219 25703 10119 1 18 . 1 1 97 97 GLN C C 97 177.461 177.461 178.251 -0.790 25703 10120 1 18 . 1 1 97 97 GLN CA C 97 59.069 59.069 58.951 0.118 25703 10121 1 18 . 1 1 97 97 GLN CB C 97 28.799 28.799 28.343 0.456 25703 10122 1 18 . 1 1 97 97 GLN H H 97 7.700 7.700 7.822 -0.122 25703 10123 1 18 . 1 1 98 98 ALA N N 98 121.852 121.852 120.938 0.914 25703 10124 1 18 . 1 1 98 98 ALA HA H 98 3.921 3.921 4.175 -0.254 25703 10125 1 18 . 1 1 98 98 ALA C C 98 174.452 174.452 179.876 -5.424 25703 10126 1 18 . 1 1 98 98 ALA CA C 98 55.207 55.207 54.612 0.595 25703 10127 1 18 . 1 1 98 98 ALA CB C 98 18.356 18.356 18.720 -0.364 25703 10128 1 18 . 1 1 98 98 ALA H H 98 7.456 7.456 7.484 -0.028 25703 10129 1 18 . 1 1 99 99 ILE N N 99 118.810 118.810 119.088 -0.278 25703 10130 1 18 . 1 1 99 99 ILE HA H 99 3.037 3.037 4.018 -0.981 25703 10131 1 18 . 1 1 99 99 ILE C C 99 176.476 176.476 176.937 -0.461 25703 10132 1 18 . 1 1 99 99 ILE CA C 99 65.925 65.925 63.350 2.575 25703 10133 1 18 . 1 1 99 99 ILE CB C 99 38.622 38.622 37.403 1.219 25703 10134 1 18 . 1 1 99 99 ILE H H 99 7.692 7.692 8.566 -0.874 25703 10135 1 18 . 1 1 100 100 ALA N N 100 120.478 120.478 120.610 -0.132 25703 10136 1 18 . 1 1 100 100 ALA HA H 100 3.713 3.713 4.340 -0.627 25703 10137 1 18 . 1 1 100 100 ALA C C 100 179.910 179.910 178.667 1.243 25703 10138 1 18 . 1 1 100 100 ALA CA C 100 55.491 55.491 53.638 1.853 25703 10139 1 18 . 1 1 100 100 ALA CB C 100 18.656 18.656 19.701 -1.045 25703 10140 1 18 . 1 1 100 100 ALA H H 100 8.164 8.164 8.176 -0.012 25703 10141 1 18 . 1 1 101 101 ALA N N 101 116.616 116.616 120.652 -4.036 25703 10142 1 18 . 1 1 101 101 ALA HA H 101 4.084 4.084 4.117 -0.033 25703 10143 1 18 . 1 1 101 101 ALA C C 101 177.705 177.705 178.781 -1.076 25703 10144 1 18 . 1 1 101 101 ALA CA C 101 54.113 54.113 54.201 -0.088 25703 10145 1 18 . 1 1 101 101 ALA CB C 101 19.576 19.576 19.341 0.235 25703 10146 1 18 . 1 1 101 101 ALA H H 101 7.649 7.649 7.955 -0.306 25703 10147 1 18 . 1 1 102 102 ASN N N 102 114.293 114.293 115.706 -1.413 25703 10148 1 18 . 1 1 102 102 ASN HA H 102 4.753 4.753 4.862 -0.109 25703 10149 1 18 . 1 1 102 102 ASN C C 102 172.210 172.210 176.268 -4.058 25703 10150 1 18 . 1 1 102 102 ASN CA C 102 54.809 54.809 53.479 1.330 25703 10151 1 18 . 1 1 102 102 ASN CB C 102 43.388 43.388 39.827 3.561 25703 10152 1 18 . 1 1 102 102 ASN H H 102 7.110 7.110 7.947 -0.837 25703 10153 1 19 . 1 1 2 2 VAL N N 2 125.982 125.982 121.944 4.038 25703 10154 1 19 . 1 1 2 2 VAL HA H 2 4.054 4.054 4.579 -0.525 25703 10155 1 19 . 1 1 2 2 VAL CA C 2 61.397 61.397 60.265 1.132 25703 10156 1 19 . 1 1 2 2 VAL CB C 2 32.844 32.844 33.734 -0.890 25703 10157 1 19 . 1 1 2 2 VAL H H 2 8.576 8.576 8.394 0.182 25703 10158 1 19 . 1 1 3 3 THR N N 3 126.926 126.926 122.021 4.905 25703 10159 1 19 . 1 1 3 3 THR HA H 3 4.120 4.120 4.538 -0.418 25703 10160 1 19 . 1 1 3 3 THR C C 3 172.671 172.671 173.231 -0.560 25703 10161 1 19 . 1 1 3 3 THR CA C 3 64.010 64.010 61.997 2.013 25703 10162 1 19 . 1 1 3 3 THR CB C 3 70.030 70.030 70.196 -0.166 25703 10163 1 19 . 1 1 3 3 THR H H 3 7.787 7.787 8.131 -0.344 25703 10164 1 19 . 1 1 4 4 GLN N N 4 128.743 128.743 123.502 5.241 25703 10165 1 19 . 1 1 4 4 GLN HA H 4 4.726 4.726 4.818 -0.092 25703 10166 1 19 . 1 1 4 4 GLN C C 4 176.254 176.254 175.124 1.130 25703 10167 1 19 . 1 1 4 4 GLN CA C 4 54.925 54.925 54.400 0.525 25703 10168 1 19 . 1 1 4 4 GLN CB C 4 30.039 30.039 29.926 0.113 25703 10169 1 19 . 1 1 4 4 GLN H H 4 8.976 8.976 8.323 0.653 25703 10170 1 19 . 1 1 5 5 PHE N N 5 127.295 127.295 123.735 3.560 25703 10171 1 19 . 1 1 5 5 PHE HA H 5 4.793 4.793 4.450 0.343 25703 10172 1 19 . 1 1 5 5 PHE C C 5 175.627 175.627 176.781 -1.154 25703 10173 1 19 . 1 1 5 5 PHE CA C 5 59.080 59.080 56.859 2.221 25703 10174 1 19 . 1 1 5 5 PHE CB C 5 41.083 41.083 40.497 0.586 25703 10175 1 19 . 1 1 5 5 PHE H H 5 8.434 8.434 8.585 -0.151 25703 10176 1 19 . 1 1 6 6 LYS N N 6 120.464 120.464 116.074 4.390 25703 10177 1 19 . 1 1 6 6 LYS HA H 6 4.623 4.623 4.484 0.139 25703 10178 1 19 . 1 1 6 6 LYS C C 6 176.504 176.504 175.892 0.612 25703 10179 1 19 . 1 1 6 6 LYS CA C 6 56.526 56.526 56.257 0.269 25703 10180 1 19 . 1 1 6 6 LYS CB C 6 34.660 34.660 34.086 0.574 25703 10181 1 19 . 1 1 6 6 LYS H H 6 9.821 9.821 8.534 1.287 25703 10182 1 19 . 1 1 7 7 THR N N 7 108.286 108.286 108.594 -0.308 25703 10183 1 19 . 1 1 7 7 THR HA H 7 4.738 4.738 4.750 -0.012 25703 10184 1 19 . 1 1 7 7 THR C C 7 173.410 173.410 174.929 -1.519 25703 10185 1 19 . 1 1 7 7 THR CA C 7 59.287 59.287 58.962 0.325 25703 10186 1 19 . 1 1 7 7 THR CB C 7 73.138 73.138 72.284 0.855 25703 10187 1 19 . 1 1 7 7 THR H H 7 7.467 7.467 7.362 0.105 25703 10188 1 19 . 1 1 8 8 ALA N N 8 125.007 125.007 125.592 -0.585 25703 10189 1 19 . 1 1 8 8 ALA HA H 8 3.705 3.705 4.121 -0.416 25703 10190 1 19 . 1 1 8 8 ALA C C 8 178.859 178.859 179.752 -0.893 25703 10191 1 19 . 1 1 8 8 ALA CA C 8 55.453 55.453 55.377 0.076 25703 10192 1 19 . 1 1 8 8 ALA CB C 8 18.689 18.689 18.149 0.540 25703 10193 1 19 . 1 1 8 8 ALA H H 8 9.038 9.038 9.083 -0.045 25703 10194 1 19 . 1 1 9 9 SER N N 9 113.408 113.408 113.531 -0.123 25703 10195 1 19 . 1 1 9 9 SER HA H 9 4.124 4.124 4.077 0.047 25703 10196 1 19 . 1 1 9 9 SER C C 9 176.575 176.575 176.714 -0.139 25703 10197 1 19 . 1 1 9 9 SER CA C 9 61.528 61.528 61.764 -0.236 25703 10198 1 19 . 1 1 9 9 SER CB C 9 62.703 62.703 62.616 0.087 25703 10199 1 19 . 1 1 9 9 SER H H 9 8.159 8.159 8.498 -0.339 25703 10200 1 19 . 1 1 10 10 GLU N N 10 123.005 123.005 121.148 1.857 25703 10201 1 19 . 1 1 10 10 GLU HA H 10 3.853 3.853 3.720 0.133 25703 10202 1 19 . 1 1 10 10 GLU C C 10 178.294 178.294 178.266 0.028 25703 10203 1 19 . 1 1 10 10 GLU CA C 10 59.266 59.266 58.839 0.427 25703 10204 1 19 . 1 1 10 10 GLU CB C 10 31.536 31.536 28.950 2.586 25703 10205 1 19 . 1 1 10 10 GLU H H 10 7.552 7.552 7.652 -0.100 25703 10206 1 19 . 1 1 11 11 PHE N N 11 121.633 121.633 120.416 1.217 25703 10207 1 19 . 1 1 11 11 PHE HA H 11 2.864 2.864 3.609 -0.745 25703 10208 1 19 . 1 1 11 11 PHE C C 11 176.786 176.786 176.711 0.075 25703 10209 1 19 . 1 1 11 11 PHE CA C 11 61.182 61.182 60.877 0.305 25703 10210 1 19 . 1 1 11 11 PHE CB C 11 38.202 38.202 39.130 -0.928 25703 10211 1 19 . 1 1 11 11 PHE H H 11 6.632 6.632 7.455 -0.823 25703 10212 1 19 . 1 1 12 12 ASP N N 12 118.991 118.991 119.461 -0.470 25703 10213 1 19 . 1 1 12 12 ASP HA H 12 3.841 3.841 3.713 0.128 25703 10214 1 19 . 1 1 12 12 ASP C C 12 178.286 178.286 178.746 -0.460 25703 10215 1 19 . 1 1 12 12 ASP CA C 12 57.547 57.547 57.662 -0.115 25703 10216 1 19 . 1 1 12 12 ASP CB C 12 40.790 40.790 40.210 0.580 25703 10217 1 19 . 1 1 12 12 ASP H H 12 7.687 7.687 8.752 -1.065 25703 10218 1 19 . 1 1 13 13 SER N N 13 112.966 112.966 115.235 -2.269 25703 10219 1 19 . 1 1 13 13 SER HA H 13 4.022 4.022 4.125 -0.103 25703 10220 1 19 . 1 1 13 13 SER C C 13 175.827 175.827 175.080 0.747 25703 10221 1 19 . 1 1 13 13 SER CA C 13 61.410 61.410 61.047 0.363 25703 10222 1 19 . 1 1 13 13 SER CB C 13 63.499 63.499 62.962 0.537 25703 10223 1 19 . 1 1 13 13 SER H H 13 7.563 7.563 7.990 -0.427 25703 10224 1 19 . 1 1 14 14 ALA N N 14 124.823 124.823 122.988 1.835 25703 10225 1 19 . 1 1 14 14 ALA HA H 14 4.025 4.025 3.994 0.031 25703 10226 1 19 . 1 1 14 14 ALA C C 14 179.909 179.909 179.549 0.360 25703 10227 1 19 . 1 1 14 14 ALA CA C 14 54.710 54.710 54.491 0.219 25703 10228 1 19 . 1 1 14 14 ALA CB C 14 19.286 19.286 18.669 0.617 25703 10229 1 19 . 1 1 14 14 ALA H H 14 7.671 7.671 6.987 0.684 25703 10230 1 19 . 1 1 15 15 ILE N N 15 108.002 108.002 114.752 -6.750 25703 10231 1 19 . 1 1 15 15 ILE HA H 15 3.721 3.721 3.746 -0.025 25703 10232 1 19 . 1 1 15 15 ILE C C 15 175.512 175.512 176.814 -1.302 25703 10233 1 19 . 1 1 15 15 ILE CA C 15 64.058 64.058 63.965 0.093 25703 10234 1 19 . 1 1 15 15 ILE CB C 15 38.277 38.277 37.001 1.276 25703 10235 1 19 . 1 1 15 15 ILE H H 15 7.195 7.195 7.950 -0.755 25703 10236 1 19 . 1 1 16 16 ALA N N 16 123.051 123.051 120.785 2.266 25703 10237 1 19 . 1 1 16 16 ALA HA H 16 4.013 4.013 4.252 -0.239 25703 10238 1 19 . 1 1 16 16 ALA C C 16 176.636 176.636 177.935 -1.299 25703 10239 1 19 . 1 1 16 16 ALA CA C 16 52.318 52.318 52.408 -0.090 25703 10240 1 19 . 1 1 16 16 ALA CB C 16 18.956 18.956 18.533 0.423 25703 10241 1 19 . 1 1 16 16 ALA H H 16 6.623 6.623 7.361 -0.738 25703 10242 1 19 . 1 1 17 17 GLN N N 17 116.236 116.236 119.250 -3.014 25703 10243 1 19 . 1 1 17 17 GLN HA H 17 4.198 4.198 4.249 -0.051 25703 10244 1 19 . 1 1 17 17 GLN C C 17 174.965 174.965 174.904 0.061 25703 10245 1 19 . 1 1 17 17 GLN CA C 17 56.422 56.422 55.227 1.195 25703 10246 1 19 . 1 1 17 17 GLN CB C 17 34.338 34.338 29.477 4.862 25703 10247 1 19 . 1 1 17 17 GLN H H 17 7.140 7.140 7.581 -0.441 25703 10248 1 19 . 1 1 18 18 ASP N N 18 123.905 123.905 121.390 2.515 25703 10249 1 19 . 1 1 18 18 ASP HA H 18 4.998 4.998 4.818 0.180 25703 10250 1 19 . 1 1 18 18 ASP C C 18 174.817 174.817 175.469 -0.652 25703 10251 1 19 . 1 1 18 18 ASP CB C 18 39.414 39.414 39.653 -0.238 25703 10252 1 19 . 1 1 18 18 ASP H H 18 8.651 8.651 8.638 0.013 25703 10253 1 19 . 1 1 19 19 LYS N N 19 119.499 119.499 115.702 3.797 25703 10254 1 19 . 1 1 19 19 LYS HA H 19 4.384 4.384 4.484 -0.100 25703 10255 1 19 . 1 1 19 19 LYS C C 19 172.740 172.740 174.779 -2.039 25703 10256 1 19 . 1 1 19 19 LYS CA C 19 55.163 55.163 54.392 0.771 25703 10257 1 19 . 1 1 19 19 LYS CB C 19 34.721 34.721 34.914 -0.194 25703 10258 1 19 . 1 1 19 19 LYS H H 19 7.950 7.950 7.639 0.311 25703 10259 1 19 . 1 1 20 20 LEU N N 20 121.877 121.877 123.648 -1.771 25703 10260 1 19 . 1 1 20 20 LEU HA H 20 4.972 4.972 4.805 0.167 25703 10261 1 19 . 1 1 20 20 LEU C C 20 173.937 173.937 175.164 -1.227 25703 10262 1 19 . 1 1 20 20 LEU CA C 20 57.132 57.132 54.258 2.874 25703 10263 1 19 . 1 1 20 20 LEU CB C 20 42.012 42.012 41.194 0.818 25703 10264 1 19 . 1 1 20 20 LEU H H 20 8.641 8.641 8.830 -0.189 25703 10265 1 19 . 1 1 21 21 VAL N N 21 129.812 129.812 129.039 0.773 25703 10266 1 19 . 1 1 21 21 VAL HA H 21 4.439 4.439 4.570 -0.131 25703 10267 1 19 . 1 1 21 21 VAL C C 21 173.493 173.493 174.667 -1.174 25703 10268 1 19 . 1 1 21 21 VAL CA C 21 62.510 62.510 61.931 0.579 25703 10269 1 19 . 1 1 21 21 VAL CB C 21 34.732 34.732 32.992 1.740 25703 10270 1 19 . 1 1 21 21 VAL H H 21 9.263 9.263 9.084 0.179 25703 10271 1 19 . 1 1 22 22 VAL N N 22 131.684 131.684 129.656 2.028 25703 10272 1 19 . 1 1 22 22 VAL HA H 22 4.408 4.408 4.878 -0.470 25703 10273 1 19 . 1 1 22 22 VAL C C 22 174.331 174.331 174.154 0.177 25703 10274 1 19 . 1 1 22 22 VAL CA C 22 61.561 61.561 60.341 1.220 25703 10275 1 19 . 1 1 22 22 VAL CB C 22 33.630 33.630 33.241 0.389 25703 10276 1 19 . 1 1 22 22 VAL H H 22 9.006 9.006 8.776 0.230 25703 10277 1 19 . 1 1 23 23 VAL N N 23 126.475 126.475 130.940 -4.465 25703 10278 1 19 . 1 1 23 23 VAL HA H 23 4.422 4.422 5.198 -0.776 25703 10279 1 19 . 1 1 23 23 VAL C C 23 174.342 174.342 174.311 0.031 25703 10280 1 19 . 1 1 23 23 VAL CA C 23 61.672 61.672 60.230 1.442 25703 10281 1 19 . 1 1 23 23 VAL CB C 23 34.042 34.042 34.479 -0.437 25703 10282 1 19 . 1 1 23 23 VAL H H 23 9.551 9.551 8.150 1.401 25703 10283 1 19 . 1 1 24 24 ALA N N 24 131.649 131.649 128.280 3.369 25703 10284 1 19 . 1 1 24 24 ALA HA H 24 4.953 4.953 5.504 -0.551 25703 10285 1 19 . 1 1 24 24 ALA C C 24 174.683 174.683 176.852 -2.169 25703 10286 1 19 . 1 1 24 24 ALA CA C 24 51.712 51.712 49.270 2.442 25703 10287 1 19 . 1 1 24 24 ALA CB C 24 20.149 20.149 21.596 -1.447 25703 10288 1 19 . 1 1 24 24 ALA H H 24 8.991 8.991 8.949 0.042 25703 10289 1 19 . 1 1 25 25 PHE N N 25 124.535 124.535 125.610 -1.075 25703 10290 1 19 . 1 1 25 25 PHE HA H 25 5.002 5.002 4.565 0.437 25703 10291 1 19 . 1 1 25 25 PHE C C 25 174.231 174.231 174.493 -0.262 25703 10292 1 19 . 1 1 25 25 PHE CA C 25 58.196 58.196 59.146 -0.950 25703 10293 1 19 . 1 1 25 25 PHE CB C 25 40.231 40.231 38.389 1.842 25703 10294 1 19 . 1 1 25 25 PHE H H 25 9.231 9.231 8.343 0.888 25703 10295 1 19 . 1 1 26 26 TYR N N 26 121.986 121.986 125.695 -3.709 25703 10296 1 19 . 1 1 26 26 TYR HA H 26 5.112 5.112 4.734 0.378 25703 10297 1 19 . 1 1 26 26 TYR C C 26 170.727 170.727 173.236 -2.509 25703 10298 1 19 . 1 1 26 26 TYR CA C 26 55.240 55.240 57.198 -1.958 25703 10299 1 19 . 1 1 26 26 TYR CB C 26 43.023 43.023 43.331 -0.308 25703 10300 1 19 . 1 1 26 26 TYR H H 26 8.869 8.869 8.431 0.438 25703 10301 1 19 . 1 1 27 27 ALA N N 27 117.474 117.474 123.045 -5.571 25703 10302 1 19 . 1 1 27 27 ALA HA H 27 4.329 4.329 4.226 0.103 25703 10303 1 19 . 1 1 27 27 ALA C C 27 178.755 178.755 175.004 3.751 25703 10304 1 19 . 1 1 27 27 ALA CA C 27 50.966 50.966 51.113 -0.147 25703 10305 1 19 . 1 1 27 27 ALA CB C 27 22.735 22.735 20.279 2.456 25703 10306 1 19 . 1 1 27 27 ALA H H 27 6.235 6.235 7.664 -1.429 25703 10307 1 19 . 1 1 28 28 THR N N 28 119.624 119.624 110.858 8.766 25703 10308 1 19 . 1 1 28 28 THR HA H 28 3.907 3.907 4.208 -0.301 25703 10309 1 19 . 1 1 28 28 THR C C 28 174.360 174.360 174.964 -0.604 25703 10310 1 19 . 1 1 28 28 THR CA C 28 65.865 65.865 62.456 3.409 25703 10311 1 19 . 1 1 28 28 THR CB C 28 69.336 69.336 69.077 0.259 25703 10312 1 19 . 1 1 28 28 THR H H 28 10.381 10.381 7.864 2.517 25703 10313 1 19 . 1 1 29 29 TRP N N 29 115.983 115.983 123.813 -7.830 25703 10314 1 19 . 1 1 29 29 TRP HA H 29 4.590 4.590 4.899 -0.309 25703 10315 1 19 . 1 1 29 29 TRP CA C 29 53.924 53.924 54.447 -0.523 25703 10316 1 19 . 1 1 29 29 TRP CB C 29 29.460 29.460 27.311 2.149 25703 10317 1 19 . 1 1 29 29 TRP H H 29 6.472 6.472 7.507 -1.035 25703 10318 1 19 . 1 1 30 30 CYS HA H 30 3.857 3.857 4.873 -1.016 25703 10319 1 19 . 1 1 30 30 CYS CA C 30 58.536 58.536 57.394 1.142 25703 10320 1 19 . 1 1 30 30 CYS CB C 30 37.005 37.005 30.265 6.740 25703 10321 1 19 . 1 1 31 31 GLY CA C 31 48.989 48.989 46.770 2.219 25703 10322 1 19 . 1 1 32 32 PRO HA H 32 4.398 4.398 4.250 0.148 25703 10323 1 19 . 1 1 32 32 PRO C C 32 177.189 177.189 178.472 -1.283 25703 10324 1 19 . 1 1 32 32 PRO CA C 32 65.366 65.366 65.017 0.349 25703 10325 1 19 . 1 1 32 32 PRO CB C 32 32.289 32.289 31.377 0.912 25703 10326 1 19 . 1 1 33 33 CYS N N 33 111.468 111.468 111.904 -0.436 25703 10327 1 19 . 1 1 33 33 CYS HA H 33 4.223 4.223 4.783 -0.560 25703 10328 1 19 . 1 1 33 33 CYS CA C 33 65.801 65.801 60.359 5.442 25703 10329 1 19 . 1 1 33 33 CYS CB C 33 34.949 34.949 26.042 8.907 25703 10330 1 19 . 1 1 33 33 CYS H H 33 7.991 7.991 7.846 0.145 25703 10331 1 19 . 1 1 34 34 LYS HA H 34 3.968 3.968 3.993 -0.025 25703 10332 1 19 . 1 1 34 34 LYS C C 34 178.052 178.052 177.770 0.282 25703 10333 1 19 . 1 1 34 34 LYS CA C 34 59.661 59.661 59.209 0.452 25703 10334 1 19 . 1 1 34 34 LYS CB C 34 32.513 32.513 32.192 0.321 25703 10335 1 19 . 1 1 35 35 MET N N 35 117.236 117.236 115.135 2.101 25703 10336 1 19 . 1 1 35 35 MET HA H 35 4.194 4.194 4.423 -0.229 25703 10337 1 19 . 1 1 35 35 MET C C 35 177.451 177.451 177.987 -0.536 25703 10338 1 19 . 1 1 35 35 MET CA C 35 57.938 57.938 57.812 0.126 25703 10339 1 19 . 1 1 35 35 MET CB C 35 32.628 32.628 33.418 -0.790 25703 10340 1 19 . 1 1 35 35 MET H H 35 7.326 7.326 7.316 0.010 25703 10341 1 19 . 1 1 36 36 ILE N N 36 113.758 113.758 120.149 -6.391 25703 10342 1 19 . 1 1 36 36 ILE HA H 36 4.345 4.345 3.820 0.525 25703 10343 1 19 . 1 1 36 36 ILE C C 36 176.183 176.183 176.678 -0.495 25703 10344 1 19 . 1 1 36 36 ILE CA C 36 60.656 60.656 62.789 -2.133 25703 10345 1 19 . 1 1 36 36 ILE CB C 36 39.657 39.657 37.532 2.125 25703 10346 1 19 . 1 1 36 36 ILE H H 36 7.315 7.315 8.380 -1.065 25703 10347 1 19 . 1 1 37 37 ALA N N 37 126.738 126.738 124.358 2.380 25703 10348 1 19 . 1 1 37 37 ALA HA H 37 4.095 4.095 3.901 0.194 25703 10349 1 19 . 1 1 37 37 ALA CA C 37 57.562 57.562 56.886 0.676 25703 10350 1 19 . 1 1 37 37 ALA CB C 37 15.912 15.912 16.021 -0.109 25703 10351 1 19 . 1 1 37 37 ALA H H 37 7.447 7.447 7.950 -0.503 25703 10352 1 19 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.138 0.132 25703 10353 1 19 . 1 1 38 38 PRO C C 38 178.922 178.922 178.539 0.383 25703 10354 1 19 . 1 1 38 38 PRO CA C 38 65.743 65.743 65.490 0.253 25703 10355 1 19 . 1 1 38 38 PRO CB C 38 31.224 31.224 31.313 -0.089 25703 10356 1 19 . 1 1 39 39 MET N N 39 118.310 118.310 116.942 1.368 25703 10357 1 19 . 1 1 39 39 MET HA H 39 3.859 3.859 3.682 0.177 25703 10358 1 19 . 1 1 39 39 MET C C 39 174.441 174.441 177.619 -3.178 25703 10359 1 19 . 1 1 39 39 MET CA C 39 58.390 58.390 57.223 1.167 25703 10360 1 19 . 1 1 39 39 MET CB C 39 31.394 31.394 31.150 0.244 25703 10361 1 19 . 1 1 39 39 MET H H 39 7.063 7.063 7.171 -0.108 25703 10362 1 19 . 1 1 40 40 ILE N N 40 119.013 119.013 117.819 1.194 25703 10363 1 19 . 1 1 40 40 ILE HA H 40 3.595 3.595 3.161 0.434 25703 10364 1 19 . 1 1 40 40 ILE C C 40 177.267 177.267 177.970 -0.703 25703 10365 1 19 . 1 1 40 40 ILE CA C 40 64.393 64.393 63.697 0.696 25703 10366 1 19 . 1 1 40 40 ILE CB C 40 36.259 36.259 35.874 0.385 25703 10367 1 19 . 1 1 40 40 ILE H H 40 7.752 7.752 8.388 -0.636 25703 10368 1 19 . 1 1 41 41 GLU N N 41 119.530 119.530 120.216 -0.686 25703 10369 1 19 . 1 1 41 41 GLU HA H 41 3.572 3.572 3.807 -0.235 25703 10370 1 19 . 1 1 41 41 GLU C C 41 179.597 179.597 179.131 0.466 25703 10371 1 19 . 1 1 41 41 GLU CA C 41 59.878 59.878 58.999 0.879 25703 10372 1 19 . 1 1 41 41 GLU CB C 41 29.900 29.900 29.061 0.839 25703 10373 1 19 . 1 1 41 41 GLU H H 41 7.442 7.442 7.465 -0.023 25703 10374 1 19 . 1 1 42 42 LYS N N 42 122.053 122.053 120.523 1.530 25703 10375 1 19 . 1 1 42 42 LYS HA H 42 3.932 3.932 4.032 -0.100 25703 10376 1 19 . 1 1 42 42 LYS C C 42 179.390 179.390 179.227 0.163 25703 10377 1 19 . 1 1 42 42 LYS CA C 42 59.532 59.532 59.330 0.202 25703 10378 1 19 . 1 1 42 42 LYS CB C 42 31.281 31.281 32.181 -0.900 25703 10379 1 19 . 1 1 42 42 LYS H H 42 7.428 7.428 7.691 -0.263 25703 10380 1 19 . 1 1 43 43 PHE N N 43 120.250 120.250 116.305 3.945 25703 10381 1 19 . 1 1 43 43 PHE HA H 43 4.639 4.639 4.375 0.264 25703 10382 1 19 . 1 1 43 43 PHE C C 43 177.337 177.337 175.943 1.394 25703 10383 1 19 . 1 1 43 43 PHE CA C 43 59.331 59.331 58.623 0.708 25703 10384 1 19 . 1 1 43 43 PHE CB C 43 37.737 37.737 38.166 -0.429 25703 10385 1 19 . 1 1 43 43 PHE H H 43 8.337 8.337 8.346 -0.009 25703 10386 1 19 . 1 1 44 44 SER N N 44 117.203 117.203 113.058 4.145 25703 10387 1 19 . 1 1 44 44 SER HA H 44 2.967 2.967 3.058 -0.091 25703 10388 1 19 . 1 1 44 44 SER C C 44 174.934 174.934 174.963 -0.029 25703 10389 1 19 . 1 1 44 44 SER CA C 44 61.159 61.159 59.223 1.936 25703 10390 1 19 . 1 1 44 44 SER CB C 44 62.353 62.353 63.433 -1.080 25703 10391 1 19 . 1 1 44 44 SER H H 44 7.754 7.754 7.448 0.306 25703 10392 1 19 . 1 1 45 45 GLU N N 45 121.664 121.664 120.841 0.823 25703 10393 1 19 . 1 1 45 45 GLU HA H 45 4.049 4.049 4.353 -0.304 25703 10394 1 19 . 1 1 45 45 GLU C C 45 177.360 177.360 176.900 0.460 25703 10395 1 19 . 1 1 45 45 GLU CA C 45 57.739 57.739 57.144 0.595 25703 10396 1 19 . 1 1 45 45 GLU CB C 45 30.191 30.191 30.627 -0.436 25703 10397 1 19 . 1 1 45 45 GLU H H 45 6.884 6.884 7.976 -1.092 25703 10398 1 19 . 1 1 46 46 GLN N N 46 118.766 118.766 117.909 0.857 25703 10399 1 19 . 1 1 46 46 GLN HA H 46 3.948 3.948 4.551 -0.603 25703 10400 1 19 . 1 1 46 46 GLN C C 46 177.431 177.431 175.189 2.242 25703 10401 1 19 . 1 1 46 46 GLN CA C 46 58.372 58.372 54.998 3.374 25703 10402 1 19 . 1 1 46 46 GLN CB C 46 30.160 30.160 29.349 0.811 25703 10403 1 19 . 1 1 46 46 GLN H H 46 7.551 7.551 7.412 0.139 25703 10404 1 19 . 1 1 47 47 TYR N N 47 117.012 117.012 117.278 -0.266 25703 10405 1 19 . 1 1 47 47 TYR HA H 47 4.971 4.971 5.016 -0.045 25703 10406 1 19 . 1 1 47 47 TYR CA C 47 56.523 56.523 52.520 4.003 25703 10407 1 19 . 1 1 47 47 TYR CB C 47 38.479 38.479 36.840 1.639 25703 10408 1 19 . 1 1 47 47 TYR H H 47 7.426 7.426 8.183 -0.757 25703 10409 1 19 . 1 1 48 48 PRO HA H 48 4.388 4.388 4.164 0.224 25703 10410 1 19 . 1 1 48 48 PRO C C 48 176.927 176.927 177.145 -0.218 25703 10411 1 19 . 1 1 48 48 PRO CA C 48 65.425 65.425 65.542 -0.117 25703 10412 1 19 . 1 1 48 48 PRO CB C 48 32.619 32.619 31.751 0.868 25703 10413 1 19 . 1 1 49 49 GLN N N 49 120.194 120.194 114.092 6.102 25703 10414 1 19 . 1 1 49 49 GLN HA H 49 4.369 4.369 4.363 0.006 25703 10415 1 19 . 1 1 49 49 GLN C C 49 174.438 174.438 174.953 -0.515 25703 10416 1 19 . 1 1 49 49 GLN CA C 49 56.832 56.832 54.479 2.353 25703 10417 1 19 . 1 1 49 49 GLN CB C 49 28.164 28.164 28.844 -0.680 25703 10418 1 19 . 1 1 49 49 GLN H H 49 9.624 9.624 8.191 1.433 25703 10419 1 19 . 1 1 50 50 ALA N N 50 128.180 128.180 122.166 6.014 25703 10420 1 19 . 1 1 50 50 ALA HA H 50 5.048 5.048 4.298 0.750 25703 10421 1 19 . 1 1 50 50 ALA C C 50 174.685 174.685 175.561 -0.876 25703 10422 1 19 . 1 1 50 50 ALA CA C 50 50.518 50.518 50.145 0.373 25703 10423 1 19 . 1 1 50 50 ALA CB C 50 22.754 22.754 20.919 1.835 25703 10424 1 19 . 1 1 50 50 ALA H H 50 8.179 8.179 7.103 1.076 25703 10425 1 19 . 1 1 51 51 ASP N N 51 121.032 121.032 119.368 1.664 25703 10426 1 19 . 1 1 51 51 ASP HA H 51 5.102 5.102 4.446 0.656 25703 10427 1 19 . 1 1 51 51 ASP C C 51 174.171 174.171 174.067 0.104 25703 10428 1 19 . 1 1 51 51 ASP CA C 51 53.515 53.515 52.990 0.525 25703 10429 1 19 . 1 1 51 51 ASP CB C 51 44.782 44.782 44.026 0.756 25703 10430 1 19 . 1 1 51 51 ASP H H 51 8.435 8.435 7.945 0.490 25703 10431 1 19 . 1 1 52 52 PHE N N 52 121.696 121.696 123.374 -1.678 25703 10432 1 19 . 1 1 52 52 PHE HA H 52 5.172 5.172 5.027 0.145 25703 10433 1 19 . 1 1 52 52 PHE C C 52 174.110 174.110 174.667 -0.557 25703 10434 1 19 . 1 1 52 52 PHE CA C 52 57.189 57.189 57.058 0.131 25703 10435 1 19 . 1 1 52 52 PHE CB C 52 42.291 42.291 40.379 1.912 25703 10436 1 19 . 1 1 52 52 PHE H H 52 8.983 8.983 8.297 0.686 25703 10437 1 19 . 1 1 53 53 TYR N N 53 122.042 122.042 122.519 -0.477 25703 10438 1 19 . 1 1 53 53 TYR HA H 53 5.495 5.495 5.163 0.332 25703 10439 1 19 . 1 1 53 53 TYR C C 53 174.002 174.002 174.624 -0.622 25703 10440 1 19 . 1 1 53 53 TYR CA C 53 56.214 56.214 56.080 0.134 25703 10441 1 19 . 1 1 53 53 TYR CB C 53 46.407 46.407 41.328 5.079 25703 10442 1 19 . 1 1 53 53 TYR H H 53 9.362 9.362 9.587 -0.225 25703 10443 1 19 . 1 1 54 54 LYS N N 54 116.808 116.808 122.951 -6.143 25703 10444 1 19 . 1 1 54 54 LYS HA H 54 5.505 5.505 5.005 0.500 25703 10445 1 19 . 1 1 54 54 LYS C C 54 172.792 172.792 175.327 -2.535 25703 10446 1 19 . 1 1 54 54 LYS CA C 54 53.943 53.943 55.323 -1.380 25703 10447 1 19 . 1 1 54 54 LYS CB C 54 36.950 36.950 35.224 1.726 25703 10448 1 19 . 1 1 54 54 LYS H H 54 8.463 8.463 8.926 -0.463 25703 10449 1 19 . 1 1 55 55 LEU N N 55 123.826 123.826 123.462 0.364 25703 10450 1 19 . 1 1 55 55 LEU HA H 55 4.472 4.472 4.639 -0.167 25703 10451 1 19 . 1 1 55 55 LEU C C 55 171.652 171.652 176.010 -4.358 25703 10452 1 19 . 1 1 55 55 LEU CA C 55 55.906 55.906 53.411 2.495 25703 10453 1 19 . 1 1 55 55 LEU CB C 55 46.528 46.528 43.939 2.589 25703 10454 1 19 . 1 1 55 55 LEU H H 55 8.688 8.688 9.038 -0.350 25703 10455 1 19 . 1 1 56 56 ASP N N 56 127.169 127.169 119.752 7.417 25703 10456 1 19 . 1 1 56 56 ASP HA H 56 4.130 4.130 5.124 -0.994 25703 10457 1 19 . 1 1 56 56 ASP C C 56 177.692 177.692 177.322 0.370 25703 10458 1 19 . 1 1 56 56 ASP CA C 56 54.074 54.074 52.713 1.361 25703 10459 1 19 . 1 1 56 56 ASP CB C 56 41.388 41.388 40.785 0.603 25703 10460 1 19 . 1 1 56 56 ASP H H 56 8.595 8.595 8.876 -0.281 25703 10461 1 19 . 1 1 57 57 VAL N N 57 123.562 123.562 124.299 -0.737 25703 10462 1 19 . 1 1 57 57 VAL HA H 57 3.491 3.491 4.033 -0.542 25703 10463 1 19 . 1 1 57 57 VAL C C 57 175.413 175.413 175.934 -0.521 25703 10464 1 19 . 1 1 57 57 VAL CA C 57 65.095 65.095 64.494 0.601 25703 10465 1 19 . 1 1 57 57 VAL CB C 57 31.658 31.658 31.738 -0.080 25703 10466 1 19 . 1 1 57 57 VAL H H 57 8.712 8.712 8.968 -0.256 25703 10467 1 19 . 1 1 58 58 ASP N N 58 120.070 120.070 118.691 1.379 25703 10468 1 19 . 1 1 58 58 ASP HA H 58 4.827 4.827 4.578 0.249 25703 10469 1 19 . 1 1 58 58 ASP C C 58 177.131 177.131 178.025 -0.894 25703 10470 1 19 . 1 1 58 58 ASP CA C 58 57.693 57.693 56.863 0.830 25703 10471 1 19 . 1 1 58 58 ASP CB C 58 40.827 40.827 41.364 -0.537 25703 10472 1 19 . 1 1 58 58 ASP H H 58 8.670 8.670 8.490 0.180 25703 10473 1 19 . 1 1 59 59 GLU N N 59 120.889 120.889 117.998 2.891 25703 10474 1 19 . 1 1 59 59 GLU HA H 59 4.358 4.358 4.451 -0.093 25703 10475 1 19 . 1 1 59 59 GLU C C 59 176.606 176.606 177.803 -1.197 25703 10476 1 19 . 1 1 59 59 GLU CA C 59 57.881 57.881 57.203 0.679 25703 10477 1 19 . 1 1 59 59 GLU CB C 59 32.138 32.138 31.028 1.110 25703 10478 1 19 . 1 1 59 59 GLU H H 59 7.616 7.616 7.975 -0.359 25703 10479 1 19 . 1 1 60 60 LEU N N 60 122.457 122.457 120.849 1.608 25703 10480 1 19 . 1 1 60 60 LEU HA H 60 4.916 4.916 4.755 0.161 25703 10481 1 19 . 1 1 60 60 LEU C C 60 176.538 176.538 177.468 -0.930 25703 10482 1 19 . 1 1 60 60 LEU CA C 60 52.864 52.864 53.231 -0.367 25703 10483 1 19 . 1 1 60 60 LEU CB C 60 42.270 42.270 39.441 2.829 25703 10484 1 19 . 1 1 60 60 LEU H H 60 7.690 7.690 8.357 -0.667 25703 10485 1 19 . 1 1 61 61 GLY N N 61 112.065 112.065 109.271 2.794 25703 10486 1 19 . 1 1 61 61 GLY C C 61 175.917 175.917 175.483 0.434 25703 10487 1 19 . 1 1 61 61 GLY CA C 61 48.760 48.760 46.964 1.796 25703 10488 1 19 . 1 1 61 61 GLY H H 61 8.267 8.267 7.713 0.554 25703 10489 1 19 . 1 1 62 62 ASP N N 62 120.904 120.904 120.607 0.297 25703 10490 1 19 . 1 1 62 62 ASP HA H 62 4.302 4.302 4.318 -0.016 25703 10491 1 19 . 1 1 62 62 ASP C C 62 178.355 178.355 178.115 0.240 25703 10492 1 19 . 1 1 62 62 ASP CA C 62 57.045 57.045 57.024 0.021 25703 10493 1 19 . 1 1 62 62 ASP CB C 62 39.646 39.646 39.811 -0.165 25703 10494 1 19 . 1 1 62 62 ASP H H 62 9.155 9.155 8.346 0.809 25703 10495 1 19 . 1 1 63 63 VAL N N 63 121.465 121.465 119.639 1.826 25703 10496 1 19 . 1 1 63 63 VAL HA H 63 3.310 3.310 3.632 -0.322 25703 10497 1 19 . 1 1 63 63 VAL C C 63 178.724 178.724 176.755 1.969 25703 10498 1 19 . 1 1 63 63 VAL CA C 63 65.878 65.878 65.058 0.820 25703 10499 1 19 . 1 1 63 63 VAL CB C 63 31.718 31.718 31.782 -0.064 25703 10500 1 19 . 1 1 63 63 VAL H H 63 7.263 7.263 7.821 -0.558 25703 10501 1 19 . 1 1 64 64 ALA N N 64 123.341 123.341 121.497 1.844 25703 10502 1 19 . 1 1 64 64 ALA HA H 64 3.774 3.774 2.499 1.275 25703 10503 1 19 . 1 1 64 64 ALA C C 64 177.984 177.984 179.383 -1.399 25703 10504 1 19 . 1 1 64 64 ALA CA C 64 56.326 56.326 54.598 1.728 25703 10505 1 19 . 1 1 64 64 ALA CB C 64 18.296 18.296 17.779 0.517 25703 10506 1 19 . 1 1 64 64 ALA H H 64 7.248 7.248 7.390 -0.142 25703 10507 1 19 . 1 1 65 65 GLN N N 65 118.749 118.749 117.532 1.217 25703 10508 1 19 . 1 1 65 65 GLN HA H 65 4.013 4.013 3.905 0.108 25703 10509 1 19 . 1 1 65 65 GLN CA C 65 59.524 59.524 58.563 0.961 25703 10510 1 19 . 1 1 65 65 GLN CB C 65 28.802 28.802 28.656 0.146 25703 10511 1 19 . 1 1 65 65 GLN H H 65 8.276 8.276 8.228 0.048 25703 10512 1 19 . 1 1 66 66 LYS N N 66 120.950 120.950 120.137 0.813 25703 10513 1 19 . 1 1 66 66 LYS HA H 66 4.033 4.033 4.089 -0.056 25703 10514 1 19 . 1 1 66 66 LYS C C 66 176.439 176.439 177.416 -0.977 25703 10515 1 19 . 1 1 66 66 LYS CA C 66 59.276 59.276 58.688 0.588 25703 10516 1 19 . 1 1 66 66 LYS CB C 66 32.706 32.706 32.085 0.621 25703 10517 1 19 . 1 1 66 66 LYS H H 66 7.984 7.984 7.735 0.249 25703 10518 1 19 . 1 1 67 67 ASN N N 67 115.512 115.512 116.244 -0.732 25703 10519 1 19 . 1 1 67 67 ASN HA H 67 4.698 4.698 4.932 -0.234 25703 10520 1 19 . 1 1 67 67 ASN C C 67 171.075 171.075 173.620 -2.545 25703 10521 1 19 . 1 1 67 67 ASN CA C 67 54.555 54.555 53.492 1.062 25703 10522 1 19 . 1 1 67 67 ASN CB C 67 40.572 40.572 38.806 1.766 25703 10523 1 19 . 1 1 67 67 ASN H H 67 7.052 7.052 7.411 -0.359 25703 10524 1 19 . 1 1 68 68 GLU N N 68 115.540 115.540 115.724 -0.184 25703 10525 1 19 . 1 1 68 68 GLU HA H 68 3.724 3.724 3.891 -0.167 25703 10526 1 19 . 1 1 68 68 GLU C C 68 175.135 175.135 175.102 0.033 25703 10527 1 19 . 1 1 68 68 GLU CA C 68 57.472 57.472 56.900 0.572 25703 10528 1 19 . 1 1 68 68 GLU CB C 68 27.320 27.320 26.943 0.377 25703 10529 1 19 . 1 1 68 68 GLU H H 68 7.708 7.708 7.635 0.073 25703 10530 1 19 . 1 1 69 69 VAL N N 69 121.037 121.037 119.560 1.477 25703 10531 1 19 . 1 1 69 69 VAL HA H 69 3.891 3.891 3.856 0.035 25703 10532 1 19 . 1 1 69 69 VAL C C 69 174.845 174.845 175.643 -0.798 25703 10533 1 19 . 1 1 69 69 VAL CA C 69 63.315 63.315 63.813 -0.498 25703 10534 1 19 . 1 1 69 69 VAL CB C 69 31.259 31.259 31.916 -0.657 25703 10535 1 19 . 1 1 69 69 VAL H H 69 7.786 7.786 8.031 -0.245 25703 10536 1 19 . 1 1 70 70 SER N N 70 123.071 123.071 123.236 -0.165 25703 10537 1 19 . 1 1 70 70 SER HA H 70 4.453 4.453 4.702 -0.249 25703 10538 1 19 . 1 1 70 70 SER C C 70 172.450 172.450 173.343 -0.893 25703 10539 1 19 . 1 1 70 70 SER CA C 70 58.194 58.194 58.410 -0.216 25703 10540 1 19 . 1 1 70 70 SER CB C 70 65.148 65.148 64.472 0.676 25703 10541 1 19 . 1 1 70 70 SER H H 70 8.556 8.556 8.706 -0.150 25703 10542 1 19 . 1 1 71 71 ALA N N 71 127.000 127.000 124.086 2.914 25703 10543 1 19 . 1 1 71 71 ALA HA H 71 4.554 4.554 4.804 -0.250 25703 10544 1 19 . 1 1 71 71 ALA C C 71 175.018 175.018 175.198 -0.180 25703 10545 1 19 . 1 1 71 71 ALA CA C 71 51.898 51.898 51.567 0.331 25703 10546 1 19 . 1 1 71 71 ALA CB C 71 21.560 21.560 21.484 0.076 25703 10547 1 19 . 1 1 71 71 ALA H H 71 7.884 7.884 7.666 0.218 25703 10548 1 19 . 1 1 72 72 MET N N 72 120.240 120.240 119.563 0.677 25703 10549 1 19 . 1 1 72 72 MET HA H 72 4.827 4.827 4.921 -0.094 25703 10550 1 19 . 1 1 72 72 MET CA C 72 57.888 57.888 52.584 5.304 25703 10551 1 19 . 1 1 72 72 MET CB C 72 36.102 36.102 33.596 2.506 25703 10552 1 19 . 1 1 72 72 MET H H 72 8.664 8.664 8.499 0.165 25703 10553 1 19 . 1 1 73 73 PRO HA H 73 4.988 4.988 4.819 0.169 25703 10554 1 19 . 1 1 73 73 PRO C C 73 175.162 175.162 175.774 -0.612 25703 10555 1 19 . 1 1 73 73 PRO CA C 73 64.042 64.042 62.554 1.488 25703 10556 1 19 . 1 1 73 73 PRO CB C 73 35.151 35.151 32.830 2.321 25703 10557 1 19 . 1 1 74 74 THR N N 74 114.942 114.942 115.415 -0.473 25703 10558 1 19 . 1 1 74 74 THR HA H 74 4.995 4.995 4.654 0.342 25703 10559 1 19 . 1 1 74 74 THR C C 74 170.891 170.891 173.559 -2.668 25703 10560 1 19 . 1 1 74 74 THR CA C 74 63.926 63.926 62.276 1.650 25703 10561 1 19 . 1 1 74 74 THR CB C 74 73.856 73.856 69.963 3.893 25703 10562 1 19 . 1 1 74 74 THR H H 74 7.490 7.490 8.365 -0.875 25703 10563 1 19 . 1 1 75 75 LEU N N 75 132.149 132.149 130.120 2.029 25703 10564 1 19 . 1 1 75 75 LEU HA H 75 5.493 5.493 5.235 0.258 25703 10565 1 19 . 1 1 75 75 LEU C C 75 174.331 174.331 174.748 -0.417 25703 10566 1 19 . 1 1 75 75 LEU CA C 75 53.852 53.852 53.885 -0.033 25703 10567 1 19 . 1 1 75 75 LEU CB C 75 45.160 45.160 44.317 0.843 25703 10568 1 19 . 1 1 75 75 LEU H H 75 9.427 9.427 9.206 0.221 25703 10569 1 19 . 1 1 76 76 LEU N N 76 124.814 124.814 124.709 0.105 25703 10570 1 19 . 1 1 76 76 LEU HA H 76 4.932 4.932 4.958 -0.026 25703 10571 1 19 . 1 1 76 76 LEU C C 76 173.732 173.732 175.884 -2.152 25703 10572 1 19 . 1 1 76 76 LEU CA C 76 54.032 54.032 53.625 0.407 25703 10573 1 19 . 1 1 76 76 LEU CB C 76 46.726 46.726 43.359 3.367 25703 10574 1 19 . 1 1 76 76 LEU H H 76 9.240 9.240 8.489 0.751 25703 10575 1 19 . 1 1 77 77 LEU N N 77 123.770 123.770 120.459 3.311 25703 10576 1 19 . 1 1 77 77 LEU HA H 77 5.251 5.251 5.427 -0.176 25703 10577 1 19 . 1 1 77 77 LEU C C 77 174.442 174.442 176.182 -1.740 25703 10578 1 19 . 1 1 77 77 LEU CA C 77 55.087 55.087 53.643 1.444 25703 10579 1 19 . 1 1 77 77 LEU CB C 77 43.250 43.250 42.506 0.744 25703 10580 1 19 . 1 1 77 77 LEU H H 77 8.175 8.175 7.912 0.263 25703 10581 1 19 . 1 1 78 78 PHE N N 78 122.975 122.975 123.056 -0.081 25703 10582 1 19 . 1 1 78 78 PHE HA H 78 5.397 5.397 4.809 0.588 25703 10583 1 19 . 1 1 78 78 PHE C C 78 173.920 173.920 174.870 -0.950 25703 10584 1 19 . 1 1 78 78 PHE CA C 78 56.867 56.867 57.270 -0.403 25703 10585 1 19 . 1 1 78 78 PHE CB C 78 44.858 44.858 43.275 1.583 25703 10586 1 19 . 1 1 78 78 PHE H H 78 9.742 9.742 9.337 0.405 25703 10587 1 19 . 1 1 79 79 LYS N N 79 118.164 118.164 121.917 -3.753 25703 10588 1 19 . 1 1 79 79 LYS HA H 79 4.817 4.817 5.182 -0.365 25703 10589 1 19 . 1 1 79 79 LYS C C 79 177.194 177.194 176.260 0.934 25703 10590 1 19 . 1 1 79 79 LYS CA C 79 57.980 57.980 55.104 2.876 25703 10591 1 19 . 1 1 79 79 LYS CB C 79 37.031 37.031 34.346 2.685 25703 10592 1 19 . 1 1 79 79 LYS H H 79 8.745 8.745 8.748 -0.003 25703 10593 1 19 . 1 1 80 80 ASN N N 80 126.660 126.660 124.727 1.933 25703 10594 1 19 . 1 1 80 80 ASN HA H 80 4.291 4.291 4.347 -0.056 25703 10595 1 19 . 1 1 80 80 ASN C C 80 174.868 174.868 175.245 -0.377 25703 10596 1 19 . 1 1 80 80 ASN CA C 80 54.925 54.925 54.205 0.720 25703 10597 1 19 . 1 1 80 80 ASN CB C 80 38.055 38.055 36.183 1.872 25703 10598 1 19 . 1 1 80 80 ASN H H 80 8.893 8.893 9.275 -0.382 25703 10599 1 19 . 1 1 81 81 GLY N N 81 103.991 103.991 104.371 -0.380 25703 10600 1 19 . 1 1 81 81 GLY C C 81 172.724 172.724 174.636 -1.912 25703 10601 1 19 . 1 1 81 81 GLY CA C 81 46.145 46.145 46.158 -0.013 25703 10602 1 19 . 1 1 81 81 GLY H H 81 8.639 8.639 8.900 -0.261 25703 10603 1 19 . 1 1 82 82 LYS N N 82 120.266 120.266 118.848 1.418 25703 10604 1 19 . 1 1 82 82 LYS HA H 82 4.937 4.937 4.494 0.443 25703 10605 1 19 . 1 1 82 82 LYS C C 82 174.364 174.364 175.628 -1.264 25703 10606 1 19 . 1 1 82 82 LYS CA C 82 55.602 55.602 55.063 0.539 25703 10607 1 19 . 1 1 82 82 LYS CB C 82 35.830 35.830 33.230 2.600 25703 10608 1 19 . 1 1 82 82 LYS H H 82 7.576 7.576 8.059 -0.483 25703 10609 1 19 . 1 1 83 83 GLU N N 83 126.445 126.445 117.662 8.783 25703 10610 1 19 . 1 1 83 83 GLU HA H 83 3.867 3.867 3.755 0.112 25703 10611 1 19 . 1 1 83 83 GLU C C 83 176.728 176.728 173.690 3.038 25703 10612 1 19 . 1 1 83 83 GLU CA C 83 57.345 57.345 57.453 -0.108 25703 10613 1 19 . 1 1 83 83 GLU CB C 83 30.927 30.927 29.772 1.155 25703 10614 1 19 . 1 1 83 83 GLU H H 83 8.819 8.819 8.120 0.699 25703 10615 1 19 . 1 1 84 84 VAL N N 84 123.147 123.147 119.776 3.371 25703 10616 1 19 . 1 1 84 84 VAL HA H 84 4.417 4.417 4.170 0.247 25703 10617 1 19 . 1 1 84 84 VAL C C 84 175.128 175.128 173.735 1.393 25703 10618 1 19 . 1 1 84 84 VAL CA C 84 61.453 61.453 61.802 -0.349 25703 10619 1 19 . 1 1 84 84 VAL CB C 84 33.692 33.692 34.135 -0.443 25703 10620 1 19 . 1 1 84 84 VAL H H 84 9.258 9.258 8.232 1.026 25703 10621 1 19 . 1 1 85 85 ALA N N 85 122.281 122.281 121.090 1.191 25703 10622 1 19 . 1 1 85 85 ALA HA H 85 4.414 4.414 4.553 -0.139 25703 10623 1 19 . 1 1 85 85 ALA C C 85 173.291 173.291 174.133 -0.842 25703 10624 1 19 . 1 1 85 85 ALA CA C 85 53.133 53.133 51.736 1.397 25703 10625 1 19 . 1 1 85 85 ALA CB C 85 22.544 22.544 21.564 0.980 25703 10626 1 19 . 1 1 85 85 ALA H H 85 7.573 7.573 7.743 -0.170 25703 10627 1 19 . 1 1 86 86 LYS N N 86 120.704 120.704 121.845 -1.141 25703 10628 1 19 . 1 1 86 86 LYS HA H 86 4.933 4.933 4.540 0.393 25703 10629 1 19 . 1 1 86 86 LYS C C 86 174.506 174.506 174.661 -0.155 25703 10630 1 19 . 1 1 86 86 LYS CA C 86 55.860 55.860 55.647 0.213 25703 10631 1 19 . 1 1 86 86 LYS CB C 86 35.979 35.979 34.074 1.905 25703 10632 1 19 . 1 1 86 86 LYS H H 86 8.014 8.014 8.289 -0.275 25703 10633 1 19 . 1 1 87 87 VAL N N 87 126.817 126.817 125.857 0.960 25703 10634 1 19 . 1 1 87 87 VAL HA H 87 4.276 4.276 4.394 -0.118 25703 10635 1 19 . 1 1 87 87 VAL C C 87 174.002 174.002 174.097 -0.095 25703 10636 1 19 . 1 1 87 87 VAL CA C 87 62.070 62.070 60.879 1.191 25703 10637 1 19 . 1 1 87 87 VAL CB C 87 34.958 34.958 34.972 -0.014 25703 10638 1 19 . 1 1 87 87 VAL H H 87 9.186 9.186 9.121 0.065 25703 10639 1 19 . 1 1 88 88 VAL N N 88 129.683 129.683 126.741 2.942 25703 10640 1 19 . 1 1 88 88 VAL HA H 88 4.446 4.446 4.419 0.027 25703 10641 1 19 . 1 1 88 88 VAL C C 88 175.594 175.594 174.602 0.992 25703 10642 1 19 . 1 1 88 88 VAL CA C 88 62.462 62.462 61.444 1.018 25703 10643 1 19 . 1 1 88 88 VAL CB C 88 33.275 33.275 32.300 0.975 25703 10644 1 19 . 1 1 88 88 VAL H H 88 9.026 9.026 8.514 0.512 25703 10645 1 19 . 1 1 89 89 GLY N N 89 114.918 114.918 115.978 -1.060 25703 10646 1 19 . 1 1 89 89 GLY CA C 89 44.014 44.014 46.089 -2.075 25703 10647 1 19 . 1 1 89 89 GLY H H 89 8.298 8.298 7.875 0.424 25703 10648 1 19 . 1 1 90 90 ALA HA H 90 4.227 4.227 4.110 0.117 25703 10649 1 19 . 1 1 90 90 ALA C C 90 174.279 174.279 175.807 -1.528 25703 10650 1 19 . 1 1 90 90 ALA CA C 90 50.915 50.915 52.533 -1.618 25703 10651 1 19 . 1 1 90 90 ALA CB C 90 18.480 18.480 17.827 0.653 25703 10652 1 19 . 1 1 91 91 ASN N N 91 121.022 121.022 116.887 4.135 25703 10653 1 19 . 1 1 91 91 ASN HA H 91 5.114 5.114 4.943 0.171 25703 10654 1 19 . 1 1 91 91 ASN CA C 91 50.500 50.500 50.850 -0.350 25703 10655 1 19 . 1 1 91 91 ASN CB C 91 39.514 39.514 38.489 1.025 25703 10656 1 19 . 1 1 91 91 ASN H H 91 7.360 7.360 8.319 -0.959 25703 10657 1 19 . 1 1 92 92 PRO HA H 92 4.116 4.116 4.394 -0.278 25703 10658 1 19 . 1 1 92 92 PRO CA C 92 63.392 63.392 64.835 -1.443 25703 10659 1 19 . 1 1 93 93 ALA HA H 93 4.074 4.074 4.422 -0.348 25703 10660 1 19 . 1 1 93 93 ALA C C 93 179.673 179.673 178.801 0.872 25703 10661 1 19 . 1 1 93 93 ALA CA C 93 55.353 55.353 54.190 1.163 25703 10662 1 19 . 1 1 93 93 ALA CB C 93 18.455 18.455 18.355 0.100 25703 10663 1 19 . 1 1 94 94 ALA N N 94 121.514 121.514 120.017 1.497 25703 10664 1 19 . 1 1 94 94 ALA HA H 94 4.064 4.064 4.228 -0.164 25703 10665 1 19 . 1 1 94 94 ALA C C 94 180.373 180.373 179.184 1.189 25703 10666 1 19 . 1 1 94 94 ALA CA C 94 55.418 55.418 54.121 1.297 25703 10667 1 19 . 1 1 94 94 ALA CB C 94 19.268 19.268 18.412 0.856 25703 10668 1 19 . 1 1 94 94 ALA H H 94 7.228 7.228 8.133 -0.905 25703 10669 1 19 . 1 1 95 95 ILE N N 95 120.330 120.330 120.018 0.312 25703 10670 1 19 . 1 1 95 95 ILE HA H 95 3.358 3.358 3.856 -0.498 25703 10671 1 19 . 1 1 95 95 ILE C C 95 175.639 175.639 176.992 -1.353 25703 10672 1 19 . 1 1 95 95 ILE CA C 95 66.564 66.564 62.521 4.043 25703 10673 1 19 . 1 1 95 95 ILE CB C 95 38.854 38.854 38.063 0.791 25703 10674 1 19 . 1 1 95 95 ILE H H 95 7.738 7.738 7.670 0.068 25703 10675 1 19 . 1 1 96 96 LYS N N 96 119.846 119.846 119.319 0.527 25703 10676 1 19 . 1 1 96 96 LYS HA H 96 3.144 3.144 3.902 -0.758 25703 10677 1 19 . 1 1 96 96 LYS C C 96 177.288 177.288 179.193 -1.905 25703 10678 1 19 . 1 1 96 96 LYS CA C 96 60.420 60.420 59.279 1.141 25703 10679 1 19 . 1 1 96 96 LYS CB C 96 32.612 32.612 31.262 1.350 25703 10680 1 19 . 1 1 96 96 LYS H H 96 8.087 8.087 7.615 0.472 25703 10681 1 19 . 1 1 97 97 GLN N N 97 116.484 116.484 119.268 -2.784 25703 10682 1 19 . 1 1 97 97 GLN HA H 97 3.848 3.848 4.060 -0.212 25703 10683 1 19 . 1 1 97 97 GLN C C 97 177.461 177.461 178.149 -0.688 25703 10684 1 19 . 1 1 97 97 GLN CA C 97 59.069 59.069 58.964 0.105 25703 10685 1 19 . 1 1 97 97 GLN CB C 97 28.799 28.799 28.464 0.335 25703 10686 1 19 . 1 1 97 97 GLN H H 97 7.700 7.700 7.553 0.147 25703 10687 1 19 . 1 1 98 98 ALA N N 98 121.852 121.852 122.307 -0.455 25703 10688 1 19 . 1 1 98 98 ALA HA H 98 3.921 3.921 4.074 -0.153 25703 10689 1 19 . 1 1 98 98 ALA C C 98 174.452 174.452 179.867 -5.415 25703 10690 1 19 . 1 1 98 98 ALA CA C 98 55.207 55.207 54.915 0.292 25703 10691 1 19 . 1 1 98 98 ALA CB C 98 18.356 18.356 18.617 -0.261 25703 10692 1 19 . 1 1 98 98 ALA H H 98 7.456 7.456 7.508 -0.052 25703 10693 1 19 . 1 1 99 99 ILE N N 99 118.810 118.810 118.953 -0.143 25703 10694 1 19 . 1 1 99 99 ILE HA H 99 3.037 3.037 3.768 -0.731 25703 10695 1 19 . 1 1 99 99 ILE C C 99 176.476 176.476 178.049 -1.573 25703 10696 1 19 . 1 1 99 99 ILE CA C 99 65.925 65.925 63.490 2.435 25703 10697 1 19 . 1 1 99 99 ILE CB C 99 38.622 38.622 37.203 1.419 25703 10698 1 19 . 1 1 99 99 ILE H H 99 7.692 7.692 8.981 -1.289 25703 10699 1 19 . 1 1 100 100 ALA N N 100 120.478 120.478 120.698 -0.220 25703 10700 1 19 . 1 1 100 100 ALA HA H 100 3.713 3.713 4.153 -0.440 25703 10701 1 19 . 1 1 100 100 ALA C C 100 179.910 179.910 178.797 1.113 25703 10702 1 19 . 1 1 100 100 ALA CA C 100 55.491 55.491 54.096 1.395 25703 10703 1 19 . 1 1 100 100 ALA CB C 100 18.656 18.656 18.730 -0.074 25703 10704 1 19 . 1 1 100 100 ALA H H 100 8.164 8.164 7.935 0.229 25703 10705 1 19 . 1 1 101 101 ALA N N 101 116.616 116.616 120.709 -4.093 25703 10706 1 19 . 1 1 101 101 ALA HA H 101 4.084 4.084 4.140 -0.056 25703 10707 1 19 . 1 1 101 101 ALA C C 101 177.705 177.705 179.012 -1.307 25703 10708 1 19 . 1 1 101 101 ALA CA C 101 54.113 54.113 53.931 0.181 25703 10709 1 19 . 1 1 101 101 ALA CB C 101 19.576 19.576 19.423 0.153 25703 10710 1 19 . 1 1 101 101 ALA H H 101 7.649 7.649 7.826 -0.177 25703 10711 1 19 . 1 1 102 102 ASN N N 102 114.293 114.293 116.288 -1.995 25703 10712 1 19 . 1 1 102 102 ASN HA H 102 4.753 4.753 4.628 0.125 25703 10713 1 19 . 1 1 102 102 ASN C C 102 172.210 172.210 176.576 -4.366 25703 10714 1 19 . 1 1 102 102 ASN CA C 102 54.809 54.809 53.845 0.964 25703 10715 1 19 . 1 1 102 102 ASN CB C 102 43.388 43.388 39.260 4.128 25703 10716 1 19 . 1 1 102 102 ASN H H 102 7.110 7.110 8.118 -1.008 25703 10717 1 20 . 1 1 2 2 VAL N N 2 125.982 125.982 120.318 5.664 25703 10718 1 20 . 1 1 2 2 VAL HA H 2 4.054 4.054 4.616 -0.562 25703 10719 1 20 . 1 1 2 2 VAL CA C 2 61.397 61.397 61.606 -0.209 25703 10720 1 20 . 1 1 2 2 VAL CB C 2 32.844 32.844 33.073 -0.229 25703 10721 1 20 . 1 1 2 2 VAL H H 2 8.576 8.576 8.332 0.244 25703 10722 1 20 . 1 1 3 3 THR N N 3 126.926 126.926 120.676 6.250 25703 10723 1 20 . 1 1 3 3 THR HA H 3 4.120 4.120 4.410 -0.290 25703 10724 1 20 . 1 1 3 3 THR C C 3 172.671 172.671 173.452 -0.781 25703 10725 1 20 . 1 1 3 3 THR CA C 3 64.010 64.010 62.901 1.109 25703 10726 1 20 . 1 1 3 3 THR CB C 3 70.030 70.030 69.771 0.259 25703 10727 1 20 . 1 1 3 3 THR H H 3 7.787 7.787 8.130 -0.343 25703 10728 1 20 . 1 1 4 4 GLN N N 4 128.743 128.743 123.212 5.531 25703 10729 1 20 . 1 1 4 4 GLN HA H 4 4.726 4.726 4.687 0.039 25703 10730 1 20 . 1 1 4 4 GLN C C 4 176.254 176.254 174.770 1.484 25703 10731 1 20 . 1 1 4 4 GLN CA C 4 54.925 54.925 54.107 0.818 25703 10732 1 20 . 1 1 4 4 GLN CB C 4 30.039 30.039 30.067 -0.028 25703 10733 1 20 . 1 1 4 4 GLN H H 4 8.976 8.976 8.286 0.690 25703 10734 1 20 . 1 1 5 5 PHE N N 5 127.295 127.295 125.279 2.016 25703 10735 1 20 . 1 1 5 5 PHE HA H 5 4.793 4.793 4.420 0.373 25703 10736 1 20 . 1 1 5 5 PHE C C 5 175.627 175.627 176.535 -0.908 25703 10737 1 20 . 1 1 5 5 PHE CA C 5 59.080 59.080 57.151 1.929 25703 10738 1 20 . 1 1 5 5 PHE CB C 5 41.083 41.083 41.091 -0.008 25703 10739 1 20 . 1 1 5 5 PHE H H 5 8.434 8.434 8.429 0.005 25703 10740 1 20 . 1 1 6 6 LYS N N 6 120.464 120.464 116.396 4.068 25703 10741 1 20 . 1 1 6 6 LYS HA H 6 4.623 4.623 4.429 0.194 25703 10742 1 20 . 1 1 6 6 LYS C C 6 176.504 176.504 175.836 0.668 25703 10743 1 20 . 1 1 6 6 LYS CA C 6 56.526 56.526 56.392 0.134 25703 10744 1 20 . 1 1 6 6 LYS CB C 6 34.660 34.660 33.688 0.972 25703 10745 1 20 . 1 1 6 6 LYS H H 6 9.821 9.821 8.539 1.282 25703 10746 1 20 . 1 1 7 7 THR N N 7 108.286 108.286 109.260 -0.974 25703 10747 1 20 . 1 1 7 7 THR HA H 7 4.738 4.738 4.616 0.122 25703 10748 1 20 . 1 1 7 7 THR C C 7 173.410 173.410 174.802 -1.392 25703 10749 1 20 . 1 1 7 7 THR CA C 7 59.287 59.287 60.297 -1.010 25703 10750 1 20 . 1 1 7 7 THR CB C 7 73.138 73.138 72.080 1.058 25703 10751 1 20 . 1 1 7 7 THR H H 7 7.467 7.467 7.421 0.046 25703 10752 1 20 . 1 1 8 8 ALA N N 8 125.007 125.007 124.933 0.074 25703 10753 1 20 . 1 1 8 8 ALA HA H 8 3.705 3.705 3.994 -0.289 25703 10754 1 20 . 1 1 8 8 ALA C C 8 178.859 178.859 179.642 -0.783 25703 10755 1 20 . 1 1 8 8 ALA CA C 8 55.453 55.453 55.658 -0.205 25703 10756 1 20 . 1 1 8 8 ALA CB C 8 18.689 18.689 18.065 0.624 25703 10757 1 20 . 1 1 8 8 ALA H H 8 9.038 9.038 8.825 0.213 25703 10758 1 20 . 1 1 9 9 SER N N 9 113.408 113.408 113.807 -0.399 25703 10759 1 20 . 1 1 9 9 SER HA H 9 4.124 4.124 4.066 0.058 25703 10760 1 20 . 1 1 9 9 SER C C 9 176.575 176.575 177.127 -0.552 25703 10761 1 20 . 1 1 9 9 SER CA C 9 61.528 61.528 61.791 -0.264 25703 10762 1 20 . 1 1 9 9 SER CB C 9 62.703 62.703 62.295 0.408 25703 10763 1 20 . 1 1 9 9 SER H H 9 8.159 8.159 8.554 -0.395 25703 10764 1 20 . 1 1 10 10 GLU N N 10 123.005 123.005 121.046 1.959 25703 10765 1 20 . 1 1 10 10 GLU HA H 10 3.853 3.853 3.766 0.087 25703 10766 1 20 . 1 1 10 10 GLU C C 10 178.294 178.294 178.032 0.262 25703 10767 1 20 . 1 1 10 10 GLU CA C 10 59.266 59.266 58.382 0.884 25703 10768 1 20 . 1 1 10 10 GLU CB C 10 31.536 31.536 28.828 2.708 25703 10769 1 20 . 1 1 10 10 GLU H H 10 7.552 7.552 7.304 0.248 25703 10770 1 20 . 1 1 11 11 PHE N N 11 121.633 121.633 120.482 1.151 25703 10771 1 20 . 1 1 11 11 PHE HA H 11 2.864 2.864 3.408 -0.544 25703 10772 1 20 . 1 1 11 11 PHE C C 11 176.786 176.786 176.755 0.031 25703 10773 1 20 . 1 1 11 11 PHE CA C 11 61.182 61.182 60.793 0.389 25703 10774 1 20 . 1 1 11 11 PHE CB C 11 38.202 38.202 39.067 -0.865 25703 10775 1 20 . 1 1 11 11 PHE H H 11 6.632 6.632 7.559 -0.927 25703 10776 1 20 . 1 1 12 12 ASP N N 12 118.991 118.991 119.224 -0.233 25703 10777 1 20 . 1 1 12 12 ASP HA H 12 3.841 3.841 3.857 -0.016 25703 10778 1 20 . 1 1 12 12 ASP C C 12 178.286 178.286 178.863 -0.577 25703 10779 1 20 . 1 1 12 12 ASP CA C 12 57.547 57.547 57.826 -0.279 25703 10780 1 20 . 1 1 12 12 ASP CB C 12 40.790 40.790 40.103 0.687 25703 10781 1 20 . 1 1 12 12 ASP H H 12 7.687 7.687 8.871 -1.185 25703 10782 1 20 . 1 1 13 13 SER N N 13 112.966 112.966 114.944 -1.978 25703 10783 1 20 . 1 1 13 13 SER HA H 13 4.022 4.022 4.150 -0.128 25703 10784 1 20 . 1 1 13 13 SER C C 13 175.827 175.827 175.344 0.483 25703 10785 1 20 . 1 1 13 13 SER CA C 13 61.410 61.410 60.174 1.236 25703 10786 1 20 . 1 1 13 13 SER CB C 13 63.499 63.499 63.079 0.420 25703 10787 1 20 . 1 1 13 13 SER H H 13 7.563 7.563 7.515 0.048 25703 10788 1 20 . 1 1 14 14 ALA N N 14 124.823 124.823 122.284 2.539 25703 10789 1 20 . 1 1 14 14 ALA HA H 14 4.025 4.025 4.145 -0.120 25703 10790 1 20 . 1 1 14 14 ALA C C 14 179.909 179.909 179.782 0.127 25703 10791 1 20 . 1 1 14 14 ALA CA C 14 54.710 54.710 54.200 0.510 25703 10792 1 20 . 1 1 14 14 ALA CB C 14 19.286 19.286 19.442 -0.156 25703 10793 1 20 . 1 1 14 14 ALA H H 14 7.671 7.671 7.032 0.639 25703 10794 1 20 . 1 1 15 15 ILE N N 15 108.002 108.002 115.101 -7.099 25703 10795 1 20 . 1 1 15 15 ILE HA H 15 3.721 3.721 3.690 0.031 25703 10796 1 20 . 1 1 15 15 ILE C C 15 175.512 175.512 176.771 -1.259 25703 10797 1 20 . 1 1 15 15 ILE CA C 15 64.058 64.058 64.026 0.032 25703 10798 1 20 . 1 1 15 15 ILE CB C 15 38.277 38.277 36.921 1.356 25703 10799 1 20 . 1 1 15 15 ILE H H 15 7.195 7.195 8.136 -0.941 25703 10800 1 20 . 1 1 16 16 ALA N N 16 123.051 123.051 120.746 2.305 25703 10801 1 20 . 1 1 16 16 ALA HA H 16 4.013 4.013 4.283 -0.270 25703 10802 1 20 . 1 1 16 16 ALA C C 16 176.636 176.636 177.975 -1.339 25703 10803 1 20 . 1 1 16 16 ALA CA C 16 52.318 52.318 52.412 -0.094 25703 10804 1 20 . 1 1 16 16 ALA CB C 16 18.956 18.956 18.593 0.363 25703 10805 1 20 . 1 1 16 16 ALA H H 16 6.623 6.623 7.389 -0.766 25703 10806 1 20 . 1 1 17 17 GLN N N 17 116.236 116.236 119.445 -3.209 25703 10807 1 20 . 1 1 17 17 GLN HA H 17 4.198 4.198 4.167 0.031 25703 10808 1 20 . 1 1 17 17 GLN C C 17 174.965 174.965 174.907 0.058 25703 10809 1 20 . 1 1 17 17 GLN CA C 17 56.422 56.422 55.688 0.734 25703 10810 1 20 . 1 1 17 17 GLN CB C 17 34.338 34.338 29.290 5.048 25703 10811 1 20 . 1 1 17 17 GLN H H 17 7.140 7.140 7.459 -0.319 25703 10812 1 20 . 1 1 18 18 ASP N N 18 123.905 123.905 121.121 2.784 25703 10813 1 20 . 1 1 18 18 ASP HA H 18 4.998 4.998 4.520 0.478 25703 10814 1 20 . 1 1 18 18 ASP C C 18 174.817 174.817 174.946 -0.129 25703 10815 1 20 . 1 1 18 18 ASP CB C 18 39.414 39.414 39.259 0.155 25703 10816 1 20 . 1 1 18 18 ASP H H 18 8.651 8.651 8.740 -0.089 25703 10817 1 20 . 1 1 19 19 LYS N N 19 119.499 119.499 115.243 4.256 25703 10818 1 20 . 1 1 19 19 LYS HA H 19 4.384 4.384 4.506 -0.122 25703 10819 1 20 . 1 1 19 19 LYS C C 19 172.740 172.740 174.940 -2.200 25703 10820 1 20 . 1 1 19 19 LYS CA C 19 55.163 55.163 54.088 1.075 25703 10821 1 20 . 1 1 19 19 LYS CB C 19 34.721 34.721 35.264 -0.543 25703 10822 1 20 . 1 1 19 19 LYS H H 19 7.950 7.950 7.599 0.351 25703 10823 1 20 . 1 1 20 20 LEU N N 20 121.877 121.877 123.820 -1.943 25703 10824 1 20 . 1 1 20 20 LEU HA H 20 4.972 4.972 4.723 0.249 25703 10825 1 20 . 1 1 20 20 LEU C C 20 173.937 173.937 175.443 -1.506 25703 10826 1 20 . 1 1 20 20 LEU CA C 20 57.132 57.132 54.972 2.160 25703 10827 1 20 . 1 1 20 20 LEU CB C 20 42.012 42.012 41.300 0.712 25703 10828 1 20 . 1 1 20 20 LEU H H 20 8.641 8.641 8.841 -0.200 25703 10829 1 20 . 1 1 21 21 VAL N N 21 129.812 129.812 127.689 2.123 25703 10830 1 20 . 1 1 21 21 VAL HA H 21 4.439 4.439 4.420 0.019 25703 10831 1 20 . 1 1 21 21 VAL C C 21 173.493 173.493 173.776 -0.283 25703 10832 1 20 . 1 1 21 21 VAL CA C 21 62.510 62.510 61.388 1.123 25703 10833 1 20 . 1 1 21 21 VAL CB C 21 34.732 34.732 33.937 0.795 25703 10834 1 20 . 1 1 21 21 VAL H H 21 9.263 9.263 8.875 0.388 25703 10835 1 20 . 1 1 22 22 VAL N N 22 131.684 131.684 129.164 2.520 25703 10836 1 20 . 1 1 22 22 VAL HA H 22 4.408 4.408 4.675 -0.267 25703 10837 1 20 . 1 1 22 22 VAL C C 22 174.331 174.331 173.383 0.948 25703 10838 1 20 . 1 1 22 22 VAL CA C 22 61.561 61.561 59.586 1.975 25703 10839 1 20 . 1 1 22 22 VAL CB C 22 33.630 33.630 32.668 0.962 25703 10840 1 20 . 1 1 22 22 VAL H H 22 9.006 9.006 8.954 0.052 25703 10841 1 20 . 1 1 23 23 VAL N N 23 126.475 126.475 130.671 -4.196 25703 10842 1 20 . 1 1 23 23 VAL HA H 23 4.422 4.422 5.124 -0.702 25703 10843 1 20 . 1 1 23 23 VAL C C 23 174.342 174.342 174.133 0.209 25703 10844 1 20 . 1 1 23 23 VAL CA C 23 61.672 61.672 60.267 1.405 25703 10845 1 20 . 1 1 23 23 VAL CB C 23 34.042 34.042 35.489 -1.446 25703 10846 1 20 . 1 1 23 23 VAL H H 23 9.551 9.551 7.971 1.580 25703 10847 1 20 . 1 1 24 24 ALA N N 24 131.649 131.649 127.007 4.642 25703 10848 1 20 . 1 1 24 24 ALA HA H 24 4.953 4.953 5.598 -0.645 25703 10849 1 20 . 1 1 24 24 ALA C C 24 174.683 174.683 176.956 -2.273 25703 10850 1 20 . 1 1 24 24 ALA CA C 24 51.712 51.712 49.702 2.010 25703 10851 1 20 . 1 1 24 24 ALA CB C 24 20.149 20.149 21.564 -1.415 25703 10852 1 20 . 1 1 24 24 ALA H H 24 8.991 8.991 8.154 0.837 25703 10853 1 20 . 1 1 25 25 PHE N N 25 124.535 124.535 124.751 -0.216 25703 10854 1 20 . 1 1 25 25 PHE HA H 25 5.002 5.002 4.473 0.529 25703 10855 1 20 . 1 1 25 25 PHE C C 25 174.231 174.231 174.538 -0.307 25703 10856 1 20 . 1 1 25 25 PHE CA C 25 58.196 58.196 59.770 -1.574 25703 10857 1 20 . 1 1 25 25 PHE CB C 25 40.231 40.231 39.026 1.205 25703 10858 1 20 . 1 1 25 25 PHE H H 25 9.231 9.231 9.072 0.159 25703 10859 1 20 . 1 1 26 26 TYR N N 26 121.986 121.986 123.478 -1.492 25703 10860 1 20 . 1 1 26 26 TYR HA H 26 5.112 5.112 4.645 0.467 25703 10861 1 20 . 1 1 26 26 TYR C C 26 170.727 170.727 174.475 -3.748 25703 10862 1 20 . 1 1 26 26 TYR CA C 26 55.240 55.240 56.416 -1.176 25703 10863 1 20 . 1 1 26 26 TYR CB C 26 43.023 43.023 43.727 -0.704 25703 10864 1 20 . 1 1 26 26 TYR H H 26 8.869 8.869 8.835 0.034 25703 10865 1 20 . 1 1 27 27 ALA N N 27 117.474 117.474 119.931 -2.457 25703 10866 1 20 . 1 1 27 27 ALA HA H 27 4.329 4.329 4.376 -0.047 25703 10867 1 20 . 1 1 27 27 ALA C C 27 178.755 178.755 176.914 1.841 25703 10868 1 20 . 1 1 27 27 ALA CA C 27 50.966 50.966 51.432 -0.466 25703 10869 1 20 . 1 1 27 27 ALA CB C 27 22.735 22.735 20.133 2.602 25703 10870 1 20 . 1 1 27 27 ALA H H 27 6.235 6.235 7.976 -1.741 25703 10871 1 20 . 1 1 28 28 THR N N 28 119.624 119.624 117.948 1.676 25703 10872 1 20 . 1 1 28 28 THR HA H 28 3.907 3.907 4.037 -0.130 25703 10873 1 20 . 1 1 28 28 THR C C 28 174.360 174.360 175.045 -0.685 25703 10874 1 20 . 1 1 28 28 THR CA C 28 65.865 65.865 64.948 0.917 25703 10875 1 20 . 1 1 28 28 THR CB C 28 69.336 69.336 68.959 0.377 25703 10876 1 20 . 1 1 28 28 THR H H 28 10.381 10.381 8.625 1.756 25703 10877 1 20 . 1 1 29 29 TRP N N 29 115.983 115.983 117.698 -1.715 25703 10878 1 20 . 1 1 29 29 TRP HA H 29 4.590 4.590 4.993 -0.403 25703 10879 1 20 . 1 1 29 29 TRP CA C 29 53.924 53.924 53.539 0.385 25703 10880 1 20 . 1 1 29 29 TRP CB C 29 29.460 29.460 28.221 1.239 25703 10881 1 20 . 1 1 29 29 TRP H H 29 6.472 6.472 6.723 -0.251 25703 10882 1 20 . 1 1 30 30 CYS HA H 30 3.857 3.857 4.957 -1.100 25703 10883 1 20 . 1 1 30 30 CYS CA C 30 58.536 58.536 57.245 1.292 25703 10884 1 20 . 1 1 30 30 CYS CB C 30 37.005 37.005 29.836 7.169 25703 10885 1 20 . 1 1 31 31 GLY CA C 31 48.989 48.989 47.405 1.584 25703 10886 1 20 . 1 1 32 32 PRO HA H 32 4.398 4.398 4.396 0.002 25703 10887 1 20 . 1 1 32 32 PRO C C 32 177.189 177.189 178.307 -1.118 25703 10888 1 20 . 1 1 32 32 PRO CA C 32 65.366 65.366 64.348 1.018 25703 10889 1 20 . 1 1 32 32 PRO CB C 32 32.289 32.289 31.193 1.096 25703 10890 1 20 . 1 1 33 33 CYS N N 33 111.468 111.468 115.565 -4.097 25703 10891 1 20 . 1 1 33 33 CYS HA H 33 4.223 4.223 3.460 0.763 25703 10892 1 20 . 1 1 33 33 CYS CA C 33 65.801 65.801 62.963 2.838 25703 10893 1 20 . 1 1 33 33 CYS CB C 33 34.949 34.949 25.881 9.068 25703 10894 1 20 . 1 1 33 33 CYS H H 33 7.991 7.991 8.092 -0.101 25703 10895 1 20 . 1 1 34 34 LYS HA H 34 3.968 3.968 3.988 -0.020 25703 10896 1 20 . 1 1 34 34 LYS C C 34 178.052 178.052 178.218 -0.166 25703 10897 1 20 . 1 1 34 34 LYS CA C 34 59.661 59.661 59.227 0.434 25703 10898 1 20 . 1 1 34 34 LYS CB C 34 32.513 32.513 32.239 0.274 25703 10899 1 20 . 1 1 35 35 MET N N 35 117.236 117.236 115.676 1.560 25703 10900 1 20 . 1 1 35 35 MET HA H 35 4.194 4.194 4.254 -0.060 25703 10901 1 20 . 1 1 35 35 MET C C 35 177.451 177.451 178.294 -0.843 25703 10902 1 20 . 1 1 35 35 MET CA C 35 57.938 57.938 58.211 -0.272 25703 10903 1 20 . 1 1 35 35 MET CB C 35 32.628 32.628 33.200 -0.572 25703 10904 1 20 . 1 1 35 35 MET H H 35 7.326 7.326 7.519 -0.193 25703 10905 1 20 . 1 1 36 36 ILE N N 36 113.758 113.758 119.246 -5.488 25703 10906 1 20 . 1 1 36 36 ILE HA H 36 4.345 4.345 3.913 0.432 25703 10907 1 20 . 1 1 36 36 ILE C C 36 176.183 176.183 176.733 -0.550 25703 10908 1 20 . 1 1 36 36 ILE CA C 36 60.656 60.656 62.513 -1.857 25703 10909 1 20 . 1 1 36 36 ILE CB C 36 39.657 39.657 37.235 2.422 25703 10910 1 20 . 1 1 36 36 ILE H H 36 7.315 7.315 7.739 -0.424 25703 10911 1 20 . 1 1 37 37 ALA N N 37 126.738 126.738 125.311 1.427 25703 10912 1 20 . 1 1 37 37 ALA HA H 37 4.095 4.095 4.567 -0.472 25703 10913 1 20 . 1 1 37 37 ALA CA C 37 57.562 57.562 56.190 1.372 25703 10914 1 20 . 1 1 37 37 ALA CB C 37 15.912 15.912 16.511 -0.599 25703 10915 1 20 . 1 1 37 37 ALA H H 37 7.447 7.447 7.933 -0.486 25703 10916 1 20 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.229 0.041 25703 10917 1 20 . 1 1 38 38 PRO C C 38 178.922 178.922 178.648 0.274 25703 10918 1 20 . 1 1 38 38 PRO CA C 38 65.743 65.743 65.387 0.356 25703 10919 1 20 . 1 1 38 38 PRO CB C 38 31.224 31.224 31.371 -0.147 25703 10920 1 20 . 1 1 39 39 MET N N 39 118.310 118.310 117.726 0.584 25703 10921 1 20 . 1 1 39 39 MET HA H 39 3.859 3.859 3.921 -0.062 25703 10922 1 20 . 1 1 39 39 MET C C 39 174.441 174.441 178.346 -3.905 25703 10923 1 20 . 1 1 39 39 MET CA C 39 58.390 58.390 58.106 0.284 25703 10924 1 20 . 1 1 39 39 MET CB C 39 31.394 31.394 31.489 -0.096 25703 10925 1 20 . 1 1 39 39 MET H H 39 7.063 7.063 7.278 -0.215 25703 10926 1 20 . 1 1 40 40 ILE N N 40 119.013 119.013 118.345 0.668 25703 10927 1 20 . 1 1 40 40 ILE HA H 40 3.595 3.595 3.428 0.167 25703 10928 1 20 . 1 1 40 40 ILE C C 40 177.267 177.267 178.072 -0.805 25703 10929 1 20 . 1 1 40 40 ILE CA C 40 64.393 64.393 64.644 -0.251 25703 10930 1 20 . 1 1 40 40 ILE CB C 40 36.259 36.259 37.413 -1.154 25703 10931 1 20 . 1 1 40 40 ILE H H 40 7.752 7.752 8.605 -0.853 25703 10932 1 20 . 1 1 41 41 GLU N N 41 119.530 119.530 121.162 -1.632 25703 10933 1 20 . 1 1 41 41 GLU HA H 41 3.572 3.572 3.806 -0.234 25703 10934 1 20 . 1 1 41 41 GLU C C 41 179.597 179.597 178.734 0.863 25703 10935 1 20 . 1 1 41 41 GLU CA C 41 59.878 59.878 59.682 0.196 25703 10936 1 20 . 1 1 41 41 GLU CB C 41 29.900 29.900 29.369 0.530 25703 10937 1 20 . 1 1 41 41 GLU H H 41 7.442 7.442 7.741 -0.299 25703 10938 1 20 . 1 1 42 42 LYS N N 42 122.053 122.053 120.821 1.232 25703 10939 1 20 . 1 1 42 42 LYS HA H 42 3.932 3.932 4.055 -0.123 25703 10940 1 20 . 1 1 42 42 LYS C C 42 179.390 179.390 179.043 0.347 25703 10941 1 20 . 1 1 42 42 LYS CA C 42 59.532 59.532 58.413 1.119 25703 10942 1 20 . 1 1 42 42 LYS CB C 42 31.281 31.281 31.729 -0.448 25703 10943 1 20 . 1 1 42 42 LYS H H 42 7.428 7.428 8.065 -0.637 25703 10944 1 20 . 1 1 43 43 PHE N N 43 120.250 120.250 116.999 3.251 25703 10945 1 20 . 1 1 43 43 PHE HA H 43 4.639 4.639 4.429 0.210 25703 10946 1 20 . 1 1 43 43 PHE C C 43 177.337 177.337 176.652 0.685 25703 10947 1 20 . 1 1 43 43 PHE CA C 43 59.331 59.331 56.953 2.378 25703 10948 1 20 . 1 1 43 43 PHE CB C 43 37.737 37.737 37.732 0.005 25703 10949 1 20 . 1 1 43 43 PHE H H 43 8.337 8.337 8.319 0.018 25703 10950 1 20 . 1 1 44 44 SER N N 44 117.203 117.203 113.755 3.448 25703 10951 1 20 . 1 1 44 44 SER HA H 44 2.967 2.967 3.102 -0.135 25703 10952 1 20 . 1 1 44 44 SER C C 44 174.934 174.934 174.741 0.193 25703 10953 1 20 . 1 1 44 44 SER CA C 44 61.159 61.159 60.143 1.016 25703 10954 1 20 . 1 1 44 44 SER CB C 44 62.353 62.353 62.059 0.295 25703 10955 1 20 . 1 1 44 44 SER H H 44 7.754 7.754 7.642 0.112 25703 10956 1 20 . 1 1 45 45 GLU N N 45 121.664 121.664 119.614 2.050 25703 10957 1 20 . 1 1 45 45 GLU HA H 45 4.049 4.049 4.045 0.004 25703 10958 1 20 . 1 1 45 45 GLU C C 45 177.360 177.360 178.169 -0.809 25703 10959 1 20 . 1 1 45 45 GLU CA C 45 57.739 57.739 57.596 0.143 25703 10960 1 20 . 1 1 45 45 GLU CB C 45 30.191 30.191 29.693 0.498 25703 10961 1 20 . 1 1 45 45 GLU H H 45 6.884 6.884 7.223 -0.339 25703 10962 1 20 . 1 1 46 46 GLN N N 46 118.766 118.766 116.904 1.862 25703 10963 1 20 . 1 1 46 46 GLN HA H 46 3.948 3.948 4.098 -0.150 25703 10964 1 20 . 1 1 46 46 GLN C C 46 177.431 177.431 177.048 0.383 25703 10965 1 20 . 1 1 46 46 GLN CA C 46 58.372 58.372 57.043 1.329 25703 10966 1 20 . 1 1 46 46 GLN CB C 46 30.160 30.160 29.630 0.530 25703 10967 1 20 . 1 1 46 46 GLN H H 46 7.551 7.551 7.343 0.208 25703 10968 1 20 . 1 1 47 47 TYR N N 47 117.012 117.012 117.473 -0.461 25703 10969 1 20 . 1 1 47 47 TYR HA H 47 4.971 4.971 4.899 0.072 25703 10970 1 20 . 1 1 47 47 TYR CA C 47 56.523 56.523 54.333 2.190 25703 10971 1 20 . 1 1 47 47 TYR CB C 47 38.479 38.479 37.318 1.161 25703 10972 1 20 . 1 1 47 47 TYR H H 47 7.426 7.426 7.302 0.124 25703 10973 1 20 . 1 1 48 48 PRO HA H 48 4.388 4.388 4.570 -0.182 25703 10974 1 20 . 1 1 48 48 PRO C C 48 176.927 176.927 177.452 -0.525 25703 10975 1 20 . 1 1 48 48 PRO CA C 48 65.425 65.425 63.826 1.599 25703 10976 1 20 . 1 1 48 48 PRO CB C 48 32.619 32.619 32.209 0.410 25703 10977 1 20 . 1 1 49 49 GLN N N 49 120.194 120.194 116.834 3.360 25703 10978 1 20 . 1 1 49 49 GLN HA H 49 4.369 4.369 4.289 0.080 25703 10979 1 20 . 1 1 49 49 GLN C C 49 174.438 174.438 175.326 -0.888 25703 10980 1 20 . 1 1 49 49 GLN CA C 49 56.832 56.832 56.386 0.446 25703 10981 1 20 . 1 1 49 49 GLN CB C 49 28.164 28.164 28.733 -0.569 25703 10982 1 20 . 1 1 49 49 GLN H H 49 9.624 9.624 8.564 1.060 25703 10983 1 20 . 1 1 50 50 ALA N N 50 128.180 128.180 122.236 5.944 25703 10984 1 20 . 1 1 50 50 ALA HA H 50 5.048 5.048 4.510 0.538 25703 10985 1 20 . 1 1 50 50 ALA C C 50 174.685 174.685 175.983 -1.298 25703 10986 1 20 . 1 1 50 50 ALA CA C 50 50.518 50.518 50.366 0.152 25703 10987 1 20 . 1 1 50 50 ALA CB C 50 22.754 22.754 21.360 1.394 25703 10988 1 20 . 1 1 50 50 ALA H H 50 8.179 8.179 7.663 0.516 25703 10989 1 20 . 1 1 51 51 ASP N N 51 121.032 121.032 123.942 -2.910 25703 10990 1 20 . 1 1 51 51 ASP HA H 51 5.102 5.102 4.663 0.439 25703 10991 1 20 . 1 1 51 51 ASP C C 51 174.171 174.171 174.876 -0.705 25703 10992 1 20 . 1 1 51 51 ASP CA C 51 53.515 53.515 53.967 -0.452 25703 10993 1 20 . 1 1 51 51 ASP CB C 51 44.782 44.782 42.495 2.287 25703 10994 1 20 . 1 1 51 51 ASP H H 51 8.435 8.435 8.275 0.160 25703 10995 1 20 . 1 1 52 52 PHE N N 52 121.696 121.696 121.455 0.241 25703 10996 1 20 . 1 1 52 52 PHE HA H 52 5.172 5.172 5.125 0.047 25703 10997 1 20 . 1 1 52 52 PHE C C 52 174.110 174.110 173.857 0.253 25703 10998 1 20 . 1 1 52 52 PHE CA C 52 57.189 57.189 55.506 1.683 25703 10999 1 20 . 1 1 52 52 PHE CB C 52 42.291 42.291 38.453 3.838 25703 11000 1 20 . 1 1 52 52 PHE H H 52 8.983 8.983 7.627 1.356 25703 11001 1 20 . 1 1 53 53 TYR N N 53 122.042 122.042 122.234 -0.192 25703 11002 1 20 . 1 1 53 53 TYR HA H 53 5.495 5.495 5.191 0.304 25703 11003 1 20 . 1 1 53 53 TYR C C 53 174.002 174.002 175.378 -1.376 25703 11004 1 20 . 1 1 53 53 TYR CA C 53 56.214 56.214 56.154 0.060 25703 11005 1 20 . 1 1 53 53 TYR CB C 53 46.407 46.407 42.264 4.143 25703 11006 1 20 . 1 1 53 53 TYR H H 53 9.362 9.362 9.199 0.163 25703 11007 1 20 . 1 1 54 54 LYS N N 54 116.808 116.808 120.716 -3.908 25703 11008 1 20 . 1 1 54 54 LYS HA H 54 5.505 5.505 4.810 0.695 25703 11009 1 20 . 1 1 54 54 LYS C C 54 172.792 172.792 174.877 -2.085 25703 11010 1 20 . 1 1 54 54 LYS CA C 54 53.943 53.943 55.831 -1.888 25703 11011 1 20 . 1 1 54 54 LYS CB C 54 36.950 36.950 35.598 1.352 25703 11012 1 20 . 1 1 54 54 LYS H H 54 8.463 8.463 9.016 -0.553 25703 11013 1 20 . 1 1 55 55 LEU N N 55 123.826 123.826 123.515 0.311 25703 11014 1 20 . 1 1 55 55 LEU HA H 55 4.472 4.472 4.479 -0.007 25703 11015 1 20 . 1 1 55 55 LEU C C 55 171.652 171.652 175.247 -3.595 25703 11016 1 20 . 1 1 55 55 LEU CA C 55 55.906 55.906 53.449 2.457 25703 11017 1 20 . 1 1 55 55 LEU CB C 55 46.528 46.528 43.923 2.605 25703 11018 1 20 . 1 1 55 55 LEU H H 55 8.688 8.688 8.949 -0.261 25703 11019 1 20 . 1 1 56 56 ASP N N 56 127.169 127.169 119.222 7.947 25703 11020 1 20 . 1 1 56 56 ASP HA H 56 4.130 4.130 4.707 -0.577 25703 11021 1 20 . 1 1 56 56 ASP C C 56 177.692 177.692 176.830 0.862 25703 11022 1 20 . 1 1 56 56 ASP CA C 56 54.074 54.074 53.312 0.762 25703 11023 1 20 . 1 1 56 56 ASP CB C 56 41.388 41.388 41.213 0.175 25703 11024 1 20 . 1 1 56 56 ASP H H 56 8.595 8.595 8.680 -0.085 25703 11025 1 20 . 1 1 57 57 VAL N N 57 123.562 123.562 123.501 0.061 25703 11026 1 20 . 1 1 57 57 VAL HA H 57 3.491 3.491 3.959 -0.468 25703 11027 1 20 . 1 1 57 57 VAL C C 57 175.413 175.413 175.619 -0.206 25703 11028 1 20 . 1 1 57 57 VAL CA C 57 65.095 65.095 64.804 0.291 25703 11029 1 20 . 1 1 57 57 VAL CB C 57 31.658 31.658 32.223 -0.565 25703 11030 1 20 . 1 1 57 57 VAL H H 57 8.712 8.712 8.430 0.282 25703 11031 1 20 . 1 1 58 58 ASP N N 58 120.070 120.070 116.797 3.273 25703 11032 1 20 . 1 1 58 58 ASP HA H 58 4.827 4.827 4.590 0.237 25703 11033 1 20 . 1 1 58 58 ASP C C 58 177.131 177.131 177.755 -0.624 25703 11034 1 20 . 1 1 58 58 ASP CA C 58 57.693 57.693 56.676 1.017 25703 11035 1 20 . 1 1 58 58 ASP CB C 58 40.827 40.827 40.890 -0.063 25703 11036 1 20 . 1 1 58 58 ASP H H 58 8.670 8.670 8.502 0.168 25703 11037 1 20 . 1 1 59 59 GLU N N 59 120.889 120.889 117.526 3.363 25703 11038 1 20 . 1 1 59 59 GLU HA H 59 4.358 4.358 4.510 -0.152 25703 11039 1 20 . 1 1 59 59 GLU C C 59 176.606 176.606 176.862 -0.256 25703 11040 1 20 . 1 1 59 59 GLU CA C 59 57.881 57.881 56.611 1.270 25703 11041 1 20 . 1 1 59 59 GLU CB C 59 32.138 32.138 31.396 0.742 25703 11042 1 20 . 1 1 59 59 GLU H H 59 7.616 7.616 7.764 -0.148 25703 11043 1 20 . 1 1 60 60 LEU N N 60 122.457 122.457 120.994 1.463 25703 11044 1 20 . 1 1 60 60 LEU HA H 60 4.916 4.916 4.715 0.201 25703 11045 1 20 . 1 1 60 60 LEU C C 60 176.538 176.538 177.568 -1.030 25703 11046 1 20 . 1 1 60 60 LEU CA C 60 52.864 52.864 53.228 -0.364 25703 11047 1 20 . 1 1 60 60 LEU CB C 60 42.270 42.270 40.614 1.656 25703 11048 1 20 . 1 1 60 60 LEU H H 60 7.690 7.690 8.220 -0.530 25703 11049 1 20 . 1 1 61 61 GLY N N 61 112.065 112.065 109.268 2.797 25703 11050 1 20 . 1 1 61 61 GLY C C 61 175.917 175.917 175.593 0.324 25703 11051 1 20 . 1 1 61 61 GLY CA C 61 48.760 48.760 46.756 2.004 25703 11052 1 20 . 1 1 61 61 GLY H H 61 8.267 8.267 8.563 -0.296 25703 11053 1 20 . 1 1 62 62 ASP N N 62 120.904 120.904 121.138 -0.234 25703 11054 1 20 . 1 1 62 62 ASP HA H 62 4.302 4.302 4.451 -0.149 25703 11055 1 20 . 1 1 62 62 ASP C C 62 178.355 178.355 178.046 0.309 25703 11056 1 20 . 1 1 62 62 ASP CA C 62 57.045 57.045 58.088 -1.043 25703 11057 1 20 . 1 1 62 62 ASP CB C 62 39.646 39.646 40.490 -0.844 25703 11058 1 20 . 1 1 62 62 ASP H H 62 9.155 9.155 8.261 0.894 25703 11059 1 20 . 1 1 63 63 VAL N N 63 121.465 121.465 119.613 1.852 25703 11060 1 20 . 1 1 63 63 VAL HA H 63 3.310 3.310 3.657 -0.347 25703 11061 1 20 . 1 1 63 63 VAL C C 63 178.724 178.724 177.002 1.722 25703 11062 1 20 . 1 1 63 63 VAL CA C 63 65.878 65.878 65.581 0.297 25703 11063 1 20 . 1 1 63 63 VAL CB C 63 31.718 31.718 31.737 -0.019 25703 11064 1 20 . 1 1 63 63 VAL H H 63 7.263 7.263 7.910 -0.647 25703 11065 1 20 . 1 1 64 64 ALA N N 64 123.341 123.341 121.382 1.959 25703 11066 1 20 . 1 1 64 64 ALA HA H 64 3.774 3.774 3.512 0.262 25703 11067 1 20 . 1 1 64 64 ALA C C 64 177.984 177.984 179.458 -1.474 25703 11068 1 20 . 1 1 64 64 ALA CA C 64 56.326 56.326 55.136 1.190 25703 11069 1 20 . 1 1 64 64 ALA CB C 64 18.296 18.296 18.106 0.190 25703 11070 1 20 . 1 1 64 64 ALA H H 64 7.248 7.248 7.726 -0.478 25703 11071 1 20 . 1 1 65 65 GLN N N 65 118.749 118.749 117.557 1.192 25703 11072 1 20 . 1 1 65 65 GLN HA H 65 4.013 4.013 3.997 0.016 25703 11073 1 20 . 1 1 65 65 GLN CA C 65 59.524 59.524 58.621 0.903 25703 11074 1 20 . 1 1 65 65 GLN CB C 65 28.802 28.802 28.625 0.177 25703 11075 1 20 . 1 1 65 65 GLN H H 65 8.276 8.276 7.780 0.496 25703 11076 1 20 . 1 1 66 66 LYS N N 66 120.950 120.950 120.388 0.562 25703 11077 1 20 . 1 1 66 66 LYS HA H 66 4.033 4.033 4.081 -0.048 25703 11078 1 20 . 1 1 66 66 LYS C C 66 176.439 176.439 177.958 -1.519 25703 11079 1 20 . 1 1 66 66 LYS CA C 66 59.276 59.276 58.888 0.388 25703 11080 1 20 . 1 1 66 66 LYS CB C 66 32.706 32.706 32.335 0.371 25703 11081 1 20 . 1 1 66 66 LYS H H 66 7.984 7.984 7.959 0.025 25703 11082 1 20 . 1 1 67 67 ASN N N 67 115.512 115.512 115.060 0.452 25703 11083 1 20 . 1 1 67 67 ASN HA H 67 4.698 4.698 4.966 -0.268 25703 11084 1 20 . 1 1 67 67 ASN C C 67 171.075 171.075 173.669 -2.594 25703 11085 1 20 . 1 1 67 67 ASN CA C 67 54.555 54.555 53.195 1.360 25703 11086 1 20 . 1 1 67 67 ASN CB C 67 40.572 40.572 38.751 1.821 25703 11087 1 20 . 1 1 67 67 ASN H H 67 7.052 7.052 7.565 -0.513 25703 11088 1 20 . 1 1 68 68 GLU N N 68 115.540 115.540 115.389 0.151 25703 11089 1 20 . 1 1 68 68 GLU HA H 68 3.724 3.724 3.828 -0.104 25703 11090 1 20 . 1 1 68 68 GLU C C 68 175.135 175.135 174.965 0.170 25703 11091 1 20 . 1 1 68 68 GLU CA C 68 57.472 57.472 57.192 0.280 25703 11092 1 20 . 1 1 68 68 GLU CB C 68 27.320 27.320 27.041 0.279 25703 11093 1 20 . 1 1 68 68 GLU H H 68 7.708 7.708 7.653 0.055 25703 11094 1 20 . 1 1 69 69 VAL N N 69 121.037 121.037 119.127 1.910 25703 11095 1 20 . 1 1 69 69 VAL HA H 69 3.891 3.891 3.926 -0.035 25703 11096 1 20 . 1 1 69 69 VAL C C 69 174.845 174.845 175.000 -0.155 25703 11097 1 20 . 1 1 69 69 VAL CA C 69 63.315 63.315 62.810 0.505 25703 11098 1 20 . 1 1 69 69 VAL CB C 69 31.259 31.259 31.190 0.069 25703 11099 1 20 . 1 1 69 69 VAL H H 69 7.786 7.786 8.262 -0.476 25703 11100 1 20 . 1 1 70 70 SER N N 70 123.071 123.071 123.457 -0.386 25703 11101 1 20 . 1 1 70 70 SER HA H 70 4.453 4.453 4.492 -0.039 25703 11102 1 20 . 1 1 70 70 SER C C 70 172.450 172.450 174.487 -2.037 25703 11103 1 20 . 1 1 70 70 SER CA C 70 58.194 58.194 58.687 -0.493 25703 11104 1 20 . 1 1 70 70 SER CB C 70 65.148 65.148 64.240 0.908 25703 11105 1 20 . 1 1 70 70 SER H H 70 8.556 8.556 8.727 -0.171 25703 11106 1 20 . 1 1 71 71 ALA N N 71 127.000 127.000 124.956 2.044 25703 11107 1 20 . 1 1 71 71 ALA HA H 71 4.554 4.554 4.419 0.135 25703 11108 1 20 . 1 1 71 71 ALA C C 71 175.018 175.018 176.063 -1.045 25703 11109 1 20 . 1 1 71 71 ALA CA C 71 51.898 51.898 52.349 -0.451 25703 11110 1 20 . 1 1 71 71 ALA CB C 71 21.560 21.560 19.723 1.837 25703 11111 1 20 . 1 1 71 71 ALA H H 71 7.884 7.884 8.086 -0.202 25703 11112 1 20 . 1 1 72 72 MET N N 72 120.240 120.240 118.216 2.024 25703 11113 1 20 . 1 1 72 72 MET HA H 72 4.827 4.827 4.989 -0.162 25703 11114 1 20 . 1 1 72 72 MET CA C 72 57.888 57.888 51.792 6.096 25703 11115 1 20 . 1 1 72 72 MET CB C 72 36.102 36.102 34.566 1.536 25703 11116 1 20 . 1 1 72 72 MET H H 72 8.664 8.664 8.158 0.506 25703 11117 1 20 . 1 1 73 73 PRO HA H 73 4.988 4.988 5.241 -0.253 25703 11118 1 20 . 1 1 73 73 PRO C C 73 175.162 175.162 176.186 -1.024 25703 11119 1 20 . 1 1 73 73 PRO CA C 73 64.042 64.042 62.318 1.724 25703 11120 1 20 . 1 1 73 73 PRO CB C 73 35.151 35.151 33.488 1.663 25703 11121 1 20 . 1 1 74 74 THR N N 74 114.942 114.942 116.821 -1.879 25703 11122 1 20 . 1 1 74 74 THR HA H 74 4.995 4.995 4.695 0.300 25703 11123 1 20 . 1 1 74 74 THR C C 74 170.891 170.891 173.171 -2.280 25703 11124 1 20 . 1 1 74 74 THR CA C 74 63.926 63.926 62.269 1.657 25703 11125 1 20 . 1 1 74 74 THR CB C 74 73.856 73.856 71.220 2.636 25703 11126 1 20 . 1 1 74 74 THR H H 74 7.490 7.490 8.539 -1.049 25703 11127 1 20 . 1 1 75 75 LEU N N 75 132.149 132.149 129.287 2.862 25703 11128 1 20 . 1 1 75 75 LEU HA H 75 5.493 5.493 5.239 0.254 25703 11129 1 20 . 1 1 75 75 LEU C C 75 174.331 174.331 175.050 -0.719 25703 11130 1 20 . 1 1 75 75 LEU CA C 75 53.852 53.852 53.971 -0.119 25703 11131 1 20 . 1 1 75 75 LEU CB C 75 45.160 45.160 42.236 2.924 25703 11132 1 20 . 1 1 75 75 LEU H H 75 9.427 9.427 8.995 0.432 25703 11133 1 20 . 1 1 76 76 LEU N N 76 124.814 124.814 125.702 -0.888 25703 11134 1 20 . 1 1 76 76 LEU HA H 76 4.932 4.932 4.896 0.036 25703 11135 1 20 . 1 1 76 76 LEU C C 76 173.732 173.732 175.831 -2.099 25703 11136 1 20 . 1 1 76 76 LEU CA C 76 54.032 54.032 53.912 0.120 25703 11137 1 20 . 1 1 76 76 LEU CB C 76 46.726 46.726 43.460 3.266 25703 11138 1 20 . 1 1 76 76 LEU H H 76 9.240 9.240 8.768 0.472 25703 11139 1 20 . 1 1 77 77 LEU N N 77 123.770 123.770 122.672 1.098 25703 11140 1 20 . 1 1 77 77 LEU HA H 77 5.251 5.251 5.454 -0.203 25703 11141 1 20 . 1 1 77 77 LEU C C 77 174.442 174.442 176.353 -1.911 25703 11142 1 20 . 1 1 77 77 LEU CA C 77 55.087 55.087 53.834 1.253 25703 11143 1 20 . 1 1 77 77 LEU CB C 77 43.250 43.250 42.874 0.376 25703 11144 1 20 . 1 1 77 77 LEU H H 77 8.175 8.175 8.072 0.103 25703 11145 1 20 . 1 1 78 78 PHE N N 78 122.975 122.975 123.364 -0.389 25703 11146 1 20 . 1 1 78 78 PHE HA H 78 5.397 5.397 4.845 0.552 25703 11147 1 20 . 1 1 78 78 PHE C C 78 173.920 173.920 174.421 -0.501 25703 11148 1 20 . 1 1 78 78 PHE CA C 78 56.867 56.867 57.238 -0.371 25703 11149 1 20 . 1 1 78 78 PHE CB C 78 44.858 44.858 43.713 1.145 25703 11150 1 20 . 1 1 78 78 PHE H H 78 9.742 9.742 8.832 0.910 25703 11151 1 20 . 1 1 79 79 LYS N N 79 118.164 118.164 121.936 -3.772 25703 11152 1 20 . 1 1 79 79 LYS HA H 79 4.817 4.817 5.013 -0.196 25703 11153 1 20 . 1 1 79 79 LYS C C 79 177.194 177.194 176.139 1.055 25703 11154 1 20 . 1 1 79 79 LYS CA C 79 57.980 57.980 55.590 2.390 25703 11155 1 20 . 1 1 79 79 LYS CB C 79 37.031 37.031 34.515 2.516 25703 11156 1 20 . 1 1 79 79 LYS H H 79 8.745 8.745 8.574 0.171 25703 11157 1 20 . 1 1 80 80 ASN N N 80 126.660 126.660 125.360 1.300 25703 11158 1 20 . 1 1 80 80 ASN HA H 80 4.291 4.291 4.432 -0.141 25703 11159 1 20 . 1 1 80 80 ASN C C 80 174.868 174.868 175.905 -1.037 25703 11160 1 20 . 1 1 80 80 ASN CA C 80 54.925 54.925 53.877 1.048 25703 11161 1 20 . 1 1 80 80 ASN CB C 80 38.055 38.055 36.415 1.640 25703 11162 1 20 . 1 1 80 80 ASN H H 80 8.893 8.893 9.418 -0.525 25703 11163 1 20 . 1 1 81 81 GLY N N 81 103.991 103.991 104.649 -0.658 25703 11164 1 20 . 1 1 81 81 GLY C C 81 172.724 172.724 174.906 -2.182 25703 11165 1 20 . 1 1 81 81 GLY CA C 81 46.145 46.145 45.923 0.222 25703 11166 1 20 . 1 1 81 81 GLY H H 81 8.639 8.639 8.796 -0.157 25703 11167 1 20 . 1 1 82 82 LYS N N 82 120.266 120.266 119.606 0.660 25703 11168 1 20 . 1 1 82 82 LYS HA H 82 4.937 4.937 4.541 0.396 25703 11169 1 20 . 1 1 82 82 LYS C C 82 174.364 174.364 175.613 -1.249 25703 11170 1 20 . 1 1 82 82 LYS CA C 82 55.602 55.602 54.482 1.120 25703 11171 1 20 . 1 1 82 82 LYS CB C 82 35.830 35.830 33.019 2.811 25703 11172 1 20 . 1 1 82 82 LYS H H 82 7.576 7.576 8.319 -0.743 25703 11173 1 20 . 1 1 83 83 GLU N N 83 126.445 126.445 116.987 9.458 25703 11174 1 20 . 1 1 83 83 GLU HA H 83 3.867 3.867 3.124 0.743 25703 11175 1 20 . 1 1 83 83 GLU C C 83 176.728 176.728 174.167 2.561 25703 11176 1 20 . 1 1 83 83 GLU CA C 83 57.345 57.345 57.175 0.170 25703 11177 1 20 . 1 1 83 83 GLU CB C 83 30.927 30.927 29.247 1.680 25703 11178 1 20 . 1 1 83 83 GLU H H 83 8.819 8.819 7.723 1.096 25703 11179 1 20 . 1 1 84 84 VAL N N 84 123.147 123.147 120.385 2.762 25703 11180 1 20 . 1 1 84 84 VAL HA H 84 4.417 4.417 4.173 0.244 25703 11181 1 20 . 1 1 84 84 VAL C C 84 175.128 175.128 173.763 1.365 25703 11182 1 20 . 1 1 84 84 VAL CA C 84 61.453 61.453 62.130 -0.677 25703 11183 1 20 . 1 1 84 84 VAL CB C 84 33.692 33.692 34.929 -1.237 25703 11184 1 20 . 1 1 84 84 VAL H H 84 9.258 9.258 8.264 0.994 25703 11185 1 20 . 1 1 85 85 ALA N N 85 122.281 122.281 121.166 1.115 25703 11186 1 20 . 1 1 85 85 ALA HA H 85 4.414 4.414 4.599 -0.185 25703 11187 1 20 . 1 1 85 85 ALA C C 85 173.291 173.291 174.155 -0.864 25703 11188 1 20 . 1 1 85 85 ALA CA C 85 53.133 53.133 51.590 1.543 25703 11189 1 20 . 1 1 85 85 ALA CB C 85 22.544 22.544 21.259 1.285 25703 11190 1 20 . 1 1 85 85 ALA H H 85 7.573 7.573 7.787 -0.214 25703 11191 1 20 . 1 1 86 86 LYS N N 86 120.704 120.704 120.995 -0.291 25703 11192 1 20 . 1 1 86 86 LYS HA H 86 4.933 4.933 4.525 0.408 25703 11193 1 20 . 1 1 86 86 LYS C C 86 174.506 174.506 174.808 -0.302 25703 11194 1 20 . 1 1 86 86 LYS CA C 86 55.860 55.860 56.388 -0.528 25703 11195 1 20 . 1 1 86 86 LYS CB C 86 35.979 35.979 34.353 1.626 25703 11196 1 20 . 1 1 86 86 LYS H H 86 8.014 8.014 8.349 -0.335 25703 11197 1 20 . 1 1 87 87 VAL N N 87 126.817 126.817 127.591 -0.774 25703 11198 1 20 . 1 1 87 87 VAL HA H 87 4.276 4.276 4.418 -0.142 25703 11199 1 20 . 1 1 87 87 VAL C C 87 174.002 174.002 174.398 -0.396 25703 11200 1 20 . 1 1 87 87 VAL CA C 87 62.070 62.070 61.248 0.822 25703 11201 1 20 . 1 1 87 87 VAL CB C 87 34.958 34.958 34.572 0.386 25703 11202 1 20 . 1 1 87 87 VAL H H 87 9.186 9.186 9.161 0.025 25703 11203 1 20 . 1 1 88 88 VAL N N 88 129.683 129.683 126.146 3.537 25703 11204 1 20 . 1 1 88 88 VAL HA H 88 4.446 4.446 4.280 0.166 25703 11205 1 20 . 1 1 88 88 VAL C C 88 175.594 175.594 175.220 0.374 25703 11206 1 20 . 1 1 88 88 VAL CA C 88 62.462 62.462 61.873 0.589 25703 11207 1 20 . 1 1 88 88 VAL CB C 88 33.275 33.275 31.408 1.867 25703 11208 1 20 . 1 1 88 88 VAL H H 88 9.026 9.026 8.597 0.429 25703 11209 1 20 . 1 1 89 89 GLY N N 89 114.918 114.918 114.387 0.531 25703 11210 1 20 . 1 1 89 89 GLY CA C 89 44.014 44.014 45.804 -1.790 25703 11211 1 20 . 1 1 89 89 GLY H H 89 8.298 8.298 7.986 0.312 25703 11212 1 20 . 1 1 90 90 ALA HA H 90 4.227 4.227 3.946 0.281 25703 11213 1 20 . 1 1 90 90 ALA C C 90 174.279 174.279 175.479 -1.200 25703 11214 1 20 . 1 1 90 90 ALA CA C 90 50.915 50.915 53.124 -2.209 25703 11215 1 20 . 1 1 90 90 ALA CB C 90 18.480 18.480 18.429 0.051 25703 11216 1 20 . 1 1 91 91 ASN N N 91 121.022 121.022 118.235 2.787 25703 11217 1 20 . 1 1 91 91 ASN HA H 91 5.114 5.114 4.973 0.141 25703 11218 1 20 . 1 1 91 91 ASN CA C 91 50.500 50.500 50.315 0.185 25703 11219 1 20 . 1 1 91 91 ASN CB C 91 39.514 39.514 38.740 0.773 25703 11220 1 20 . 1 1 91 91 ASN H H 91 7.360 7.360 8.240 -0.880 25703 11221 1 20 . 1 1 92 92 PRO HA H 92 4.116 4.116 4.382 -0.266 25703 11222 1 20 . 1 1 92 92 PRO CA C 92 63.392 63.392 64.487 -1.095 25703 11223 1 20 . 1 1 93 93 ALA HA H 93 4.074 4.074 4.320 -0.246 25703 11224 1 20 . 1 1 93 93 ALA C C 93 179.673 179.673 178.734 0.939 25703 11225 1 20 . 1 1 93 93 ALA CA C 93 55.353 55.353 53.912 1.441 25703 11226 1 20 . 1 1 93 93 ALA CB C 93 18.455 18.455 18.274 0.181 25703 11227 1 20 . 1 1 94 94 ALA N N 94 121.514 121.514 121.168 0.346 25703 11228 1 20 . 1 1 94 94 ALA HA H 94 4.064 4.064 4.160 -0.096 25703 11229 1 20 . 1 1 94 94 ALA C C 94 180.373 180.373 179.183 1.190 25703 11230 1 20 . 1 1 94 94 ALA CA C 94 55.418 55.418 54.201 1.217 25703 11231 1 20 . 1 1 94 94 ALA CB C 94 19.268 19.268 18.216 1.052 25703 11232 1 20 . 1 1 94 94 ALA H H 94 7.228 7.228 8.152 -0.924 25703 11233 1 20 . 1 1 95 95 ILE N N 95 120.330 120.330 119.038 1.292 25703 11234 1 20 . 1 1 95 95 ILE HA H 95 3.358 3.358 3.819 -0.461 25703 11235 1 20 . 1 1 95 95 ILE C C 95 175.639 175.639 177.015 -1.376 25703 11236 1 20 . 1 1 95 95 ILE CA C 95 66.564 66.564 62.659 3.905 25703 11237 1 20 . 1 1 95 95 ILE CB C 95 38.854 38.854 38.039 0.815 25703 11238 1 20 . 1 1 95 95 ILE H H 95 7.738 7.738 7.767 -0.029 25703 11239 1 20 . 1 1 96 96 LYS N N 96 119.846 119.846 119.200 0.646 25703 11240 1 20 . 1 1 96 96 LYS HA H 96 3.144 3.144 4.012 -0.868 25703 11241 1 20 . 1 1 96 96 LYS C C 96 177.288 177.288 179.150 -1.862 25703 11242 1 20 . 1 1 96 96 LYS CA C 96 60.420 60.420 59.178 1.242 25703 11243 1 20 . 1 1 96 96 LYS CB C 96 32.612 32.612 31.434 1.178 25703 11244 1 20 . 1 1 96 96 LYS H H 96 8.087 8.087 7.971 0.116 25703 11245 1 20 . 1 1 97 97 GLN N N 97 116.484 116.484 119.583 -3.099 25703 11246 1 20 . 1 1 97 97 GLN HA H 97 3.848 3.848 4.047 -0.199 25703 11247 1 20 . 1 1 97 97 GLN C C 97 177.461 177.461 178.146 -0.685 25703 11248 1 20 . 1 1 97 97 GLN CA C 97 59.069 59.069 59.063 0.006 25703 11249 1 20 . 1 1 97 97 GLN CB C 97 28.799 28.799 28.403 0.396 25703 11250 1 20 . 1 1 97 97 GLN H H 97 7.700 7.700 7.623 0.077 25703 11251 1 20 . 1 1 98 98 ALA N N 98 121.852 121.852 121.495 0.357 25703 11252 1 20 . 1 1 98 98 ALA HA H 98 3.921 3.921 4.104 -0.183 25703 11253 1 20 . 1 1 98 98 ALA C C 98 174.452 174.452 179.944 -5.492 25703 11254 1 20 . 1 1 98 98 ALA CA C 98 55.207 55.207 54.808 0.399 25703 11255 1 20 . 1 1 98 98 ALA CB C 98 18.356 18.356 18.605 -0.248 25703 11256 1 20 . 1 1 98 98 ALA H H 98 7.456 7.456 7.602 -0.146 25703 11257 1 20 . 1 1 99 99 ILE N N 99 118.810 118.810 119.067 -0.257 25703 11258 1 20 . 1 1 99 99 ILE HA H 99 3.037 3.037 3.769 -0.732 25703 11259 1 20 . 1 1 99 99 ILE C C 99 176.476 176.476 177.853 -1.377 25703 11260 1 20 . 1 1 99 99 ILE CA C 99 65.925 65.925 62.618 3.307 25703 11261 1 20 . 1 1 99 99 ILE CB C 99 38.622 38.622 37.140 1.482 25703 11262 1 20 . 1 1 99 99 ILE H H 99 7.692 7.692 8.688 -0.996 25703 11263 1 20 . 1 1 100 100 ALA N N 100 120.478 120.478 121.377 -0.899 25703 11264 1 20 . 1 1 100 100 ALA HA H 100 3.713 3.713 4.196 -0.483 25703 11265 1 20 . 1 1 100 100 ALA C C 100 179.910 179.910 178.850 1.060 25703 11266 1 20 . 1 1 100 100 ALA CA C 100 55.491 55.491 54.206 1.286 25703 11267 1 20 . 1 1 100 100 ALA CB C 100 18.656 18.656 18.844 -0.188 25703 11268 1 20 . 1 1 100 100 ALA H H 100 8.164 8.164 8.223 -0.059 25703 11269 1 20 . 1 1 101 101 ALA N N 101 116.616 116.616 120.442 -3.826 25703 11270 1 20 . 1 1 101 101 ALA HA H 101 4.084 4.084 4.024 0.060 25703 11271 1 20 . 1 1 101 101 ALA C C 101 177.705 177.705 179.074 -1.369 25703 11272 1 20 . 1 1 101 101 ALA CA C 101 54.113 54.113 54.133 -0.020 25703 11273 1 20 . 1 1 101 101 ALA CB C 101 19.576 19.576 19.291 0.285 25703 11274 1 20 . 1 1 101 101 ALA H H 101 7.649 7.649 7.802 -0.153 25703 11275 1 20 . 1 1 102 102 ASN N N 102 114.293 114.293 116.249 -1.956 25703 11276 1 20 . 1 1 102 102 ASN HA H 102 4.753 4.753 4.622 0.131 25703 11277 1 20 . 1 1 102 102 ASN C C 102 172.210 172.210 176.586 -4.376 25703 11278 1 20 . 1 1 102 102 ASN CA C 102 54.809 54.809 53.797 1.012 25703 11279 1 20 . 1 1 102 102 ASN CB C 102 43.388 43.388 39.169 4.220 25703 11280 1 20 . 1 1 102 102 ASN H H 102 7.110 7.110 7.988 -0.878 25703 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 91 3.036 -0.882 2.921 25703 2 1 1 "Average Difference" HA 105 0.365 0.055 0.362 25703 3 1 1 "Average Difference" C 89 1.521 0.605 1.403 25703 4 1 1 "Average Difference" CA 100 1.516 -0.724 1.338 25703 5 1 1 "Average Difference" CB 96 1.872 -0.926 1.635 25703 6 1 1 "Average Difference" HN 91 0.633 0.031 0.636 25703 7 1 2 "Average Difference" N 91 2.970 -0.918 2.841 25703 8 1 2 "Average Difference" HA 105 0.358 0.042 0.357 25703 9 1 2 "Average Difference" C 89 1.590 0.747 1.411 25703 10 1 2 "Average Difference" CA 100 1.408 -0.749 1.199 25703 11 1 2 "Average Difference" CB 96 1.917 -1.000 1.644 25703 12 1 2 "Average Difference" HN 91 0.632 0.036 0.635 25703 13 1 3 "Average Difference" N 91 2.845 -0.643 2.786 25703 14 1 3 "Average Difference" HA 105 0.362 0.039 0.361 25703 15 1 3 "Average Difference" C 89 1.487 0.623 1.358 25703 16 1 3 "Average Difference" CA 100 1.551 -0.800 1.335 25703 17 1 3 "Average Difference" CB 96 1.887 -1.058 1.571 25703 18 1 3 "Average Difference" HN 91 0.608 0.044 0.610 25703 19 1 4 "Average Difference" N 91 3.026 -0.925 2.897 25703 20 1 4 "Average Difference" HA 105 0.354 0.023 0.355 25703 21 1 4 "Average Difference" C 89 1.590 0.696 1.437 25703 22 1 4 "Average Difference" CA 100 1.396 -0.703 1.212 25703 23 1 4 "Average Difference" CB 96 1.924 -0.973 1.669 25703 24 1 4 "Average Difference" HN 91 0.621 -0.007 0.624 25703 25 1 5 "Average Difference" N 91 3.079 -0.814 2.985 25703 26 1 5 "Average Difference" HA 105 0.397 0.061 0.394 25703 27 1 5 "Average Difference" C 89 1.548 0.656 1.410 25703 28 1 5 "Average Difference" CA 100 1.455 -0.751 1.253 25703 29 1 5 "Average Difference" CB 96 1.899 -0.912 1.674 25703 30 1 5 "Average Difference" HN 91 0.633 0.033 0.635 25703 31 1 6 "Average Difference" N 91 3.071 -0.722 3.001 25703 32 1 6 "Average Difference" HA 105 0.357 0.029 0.357 25703 33 1 6 "Average Difference" C 89 1.589 0.621 1.471 25703 34 1 6 "Average Difference" CA 100 1.492 -0.769 1.285 25703 35 1 6 "Average Difference" CB 96 2.132 -0.947 1.920 25703 36 1 6 "Average Difference" HN 91 0.602 0.032 0.604 25703 37 1 7 "Average Difference" N 91 2.843 -0.707 2.769 25703 38 1 7 "Average Difference" HA 105 0.368 0.045 0.367 25703 39 1 7 "Average Difference" C 89 1.542 0.730 1.366 25703 40 1 7 "Average Difference" CA 100 1.409 -0.742 1.204 25703 41 1 7 "Average Difference" CB 96 1.965 -0.999 1.702 25703 42 1 7 "Average Difference" HN 91 0.632 0.004 0.635 25703 43 1 8 "Average Difference" N 91 3.120 -0.771 3.040 25703 44 1 8 "Average Difference" HA 105 0.375 0.049 0.374 25703 45 1 8 "Average Difference" C 89 1.530 0.635 1.400 25703 46 1 8 "Average Difference" CA 100 1.409 -0.769 1.186 25703 47 1 8 "Average Difference" CB 96 1.866 -0.959 1.609 25703 48 1 8 "Average Difference" HN 91 0.622 0.078 0.621 25703 49 1 9 "Average Difference" N 91 3.030 -0.886 2.914 25703 50 1 9 "Average Difference" HA 105 0.361 0.055 0.358 25703 51 1 9 "Average Difference" C 89 1.516 0.665 1.369 25703 52 1 9 "Average Difference" CA 100 1.509 -0.818 1.275 25703 53 1 9 "Average Difference" CB 96 1.893 -0.939 1.653 25703 54 1 9 "Average Difference" HN 91 0.629 0.001 0.633 25703 55 1 10 "Average Difference" N 91 3.004 -0.671 2.944 25703 56 1 10 "Average Difference" HA 105 0.335 0.046 0.334 25703 57 1 10 "Average Difference" C 89 1.536 0.641 1.404 25703 58 1 10 "Average Difference" CA 100 1.619 -0.755 1.439 25703 59 1 10 "Average Difference" CB 96 1.929 -1.003 1.656 25703 60 1 10 "Average Difference" HN 91 0.660 0.016 0.663 25703 61 1 11 "Average Difference" N 91 3.040 -0.755 2.961 25703 62 1 11 "Average Difference" HA 105 0.383 0.036 0.383 25703 63 1 11 "Average Difference" C 89 1.549 0.625 1.425 25703 64 1 11 "Average Difference" CA 100 1.492 -0.698 1.326 25703 65 1 11 "Average Difference" CB 96 2.071 -0.911 1.869 25703 66 1 11 "Average Difference" HN 91 0.650 0.032 0.652 25703 67 1 12 "Average Difference" N 91 2.999 -0.666 2.940 25703 68 1 12 "Average Difference" HA 105 0.364 0.044 0.363 25703 69 1 12 "Average Difference" C 89 1.510 0.607 1.391 25703 70 1 12 "Average Difference" CA 100 1.638 -0.765 1.456 25703 71 1 12 "Average Difference" CB 96 1.900 -0.948 1.655 25703 72 1 12 "Average Difference" HN 91 0.611 0.054 0.612 25703 73 1 13 "Average Difference" N 91 3.024 -0.871 2.912 25703 74 1 13 "Average Difference" HA 105 0.365 0.019 0.367 25703 75 1 13 "Average Difference" C 89 1.516 0.606 1.398 25703 76 1 13 "Average Difference" CA 100 1.439 -0.783 1.213 25703 77 1 13 "Average Difference" CB 96 1.921 -1.009 1.644 25703 78 1 13 "Average Difference" HN 91 0.591 -0.000 0.594 25703 79 1 14 "Average Difference" N 91 3.121 -0.886 3.009 25703 80 1 14 "Average Difference" HA 105 0.344 0.037 0.344 25703 81 1 14 "Average Difference" C 89 1.554 0.635 1.426 25703 82 1 14 "Average Difference" CA 100 1.498 -0.734 1.312 25703 83 1 14 "Average Difference" CB 96 1.900 -0.936 1.663 25703 84 1 14 "Average Difference" HN 91 0.654 0.026 0.657 25703 85 1 15 "Average Difference" N 91 3.029 -0.874 2.917 25703 86 1 15 "Average Difference" HA 105 0.346 0.055 0.344 25703 87 1 15 "Average Difference" C 89 1.527 0.620 1.403 25703 88 1 15 "Average Difference" CA 100 1.467 -0.770 1.256 25703 89 1 15 "Average Difference" CB 96 1.873 -0.943 1.626 25703 90 1 15 "Average Difference" HN 91 0.610 0.003 0.614 25703 91 1 16 "Average Difference" N 91 2.994 -0.719 2.922 25703 92 1 16 "Average Difference" HA 105 0.363 0.052 0.361 25703 93 1 16 "Average Difference" C 89 1.529 0.626 1.403 25703 94 1 16 "Average Difference" CA 100 1.431 -0.670 1.271 25703 95 1 16 "Average Difference" CB 96 1.900 -0.975 1.640 25703 96 1 16 "Average Difference" HN 91 0.641 0.046 0.643 25703 97 1 17 "Average Difference" N 91 3.016 -0.905 2.893 25703 98 1 17 "Average Difference" HA 105 0.392 0.015 0.394 25703 99 1 17 "Average Difference" C 89 1.566 0.624 1.445 25703 100 1 17 "Average Difference" CA 100 1.508 -0.737 1.323 25703 101 1 17 "Average Difference" CB 96 1.948 -0.987 1.688 25703 102 1 17 "Average Difference" HN 91 0.647 0.037 0.649 25703 103 1 18 "Average Difference" N 91 2.856 -0.576 2.812 25703 104 1 18 "Average Difference" HA 105 0.359 0.040 0.358 25703 105 1 18 "Average Difference" C 89 1.564 0.656 1.428 25703 106 1 18 "Average Difference" CA 100 1.559 -0.715 1.392 25703 107 1 18 "Average Difference" CB 96 1.902 -1.020 1.613 25703 108 1 18 "Average Difference" HN 91 0.659 0.046 0.661 25703 109 1 19 "Average Difference" N 91 3.160 -0.773 3.081 25703 110 1 19 "Average Difference" HA 105 0.371 0.036 0.371 25703 111 1 19 "Average Difference" C 89 1.534 0.567 1.434 25703 112 1 19 "Average Difference" CA 100 1.548 -0.796 1.334 25703 113 1 19 "Average Difference" CB 96 1.893 -1.005 1.612 25703 114 1 19 "Average Difference" HN 91 0.648 0.027 0.651 25703 115 1 20 "Average Difference" N 91 2.878 -0.785 2.785 25703 116 1 20 "Average Difference" HA 105 0.341 0.017 0.342 25703 117 1 20 "Average Difference" C 89 1.514 0.670 1.366 25703 118 1 20 "Average Difference" CA 100 1.398 -0.666 1.235 25703 119 1 20 "Average Difference" CB 96 1.903 -0.989 1.634 25703 120 1 20 "Average Difference" HN 91 0.615 0.025 0.618 25703 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 25703 _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 VAL N N 2 125.982 125.982 122.507 3.475 25703 2 1 . 1 1 2 2 VAL HA H 2 4.054 4.054 4.484 -0.430 25703 3 1 . 1 1 2 2 VAL CA C 2 61.397 61.397 60.944 0.453 25703 4 1 . 1 1 2 2 VAL CB C 2 32.844 32.844 33.369 -0.525 25703 5 1 . 1 1 2 2 VAL H H 2 8.576 8.576 8.308 0.268 25703 6 1 . 1 1 3 3 THR N N 3 126.926 126.926 121.873 5.053 25703 7 1 . 1 1 3 3 THR HA H 3 4.120 4.120 4.490 -0.370 25703 8 1 . 1 1 3 3 THR C C 3 172.671 172.671 173.326 -0.655 25703 9 1 . 1 1 3 3 THR CA C 3 64.010 64.010 62.512 1.498 25703 10 1 . 1 1 3 3 THR CB C 3 70.030 70.030 70.183 -0.153 25703 11 1 . 1 1 3 3 THR H H 3 7.787 7.787 8.216 -0.429 25703 12 1 . 1 1 4 4 GLN N N 4 128.743 128.743 123.200 5.543 25703 13 1 . 1 1 4 4 GLN HA H 4 4.726 4.726 4.820 -0.094 25703 14 1 . 1 1 4 4 GLN C C 4 176.254 176.254 174.901 1.353 25703 15 1 . 1 1 4 4 GLN CA C 4 54.925 54.925 54.217 0.708 25703 16 1 . 1 1 4 4 GLN CB C 4 30.039 30.039 30.097 -0.058 25703 17 1 . 1 1 4 4 GLN H H 4 8.976 8.976 8.312 0.664 25703 18 1 . 1 1 5 5 PHE N N 5 127.295 127.295 123.709 3.586 25703 19 1 . 1 1 5 5 PHE HA H 5 4.793 4.793 4.503 0.290 25703 20 1 . 1 1 5 5 PHE C C 5 175.627 175.627 176.645 -1.018 25703 21 1 . 1 1 5 5 PHE CA C 5 59.080 59.080 56.618 2.462 25703 22 1 . 1 1 5 5 PHE CB C 5 41.083 41.083 41.020 0.063 25703 23 1 . 1 1 5 5 PHE H H 5 8.434 8.434 8.293 0.141 25703 24 1 . 1 1 6 6 LYS N N 6 120.464 120.464 117.083 3.381 25703 25 1 . 1 1 6 6 LYS HA H 6 4.623 4.623 4.445 0.178 25703 26 1 . 1 1 6 6 LYS C C 6 176.504 176.504 175.772 0.732 25703 27 1 . 1 1 6 6 LYS CA C 6 56.526 56.526 56.377 0.149 25703 28 1 . 1 1 6 6 LYS CB C 6 34.660 34.660 33.742 0.918 25703 29 1 . 1 1 6 6 LYS H H 6 9.821 9.821 8.590 1.231 25703 30 1 . 1 1 7 7 THR N N 7 108.286 108.286 109.142 -0.855 25703 31 1 . 1 1 7 7 THR HA H 7 4.738 4.738 4.649 0.089 25703 32 1 . 1 1 7 7 THR C C 7 173.410 173.410 174.806 -1.396 25703 33 1 . 1 1 7 7 THR CA C 7 59.287 59.287 59.782 -0.495 25703 34 1 . 1 1 7 7 THR CB C 7 73.138 73.138 72.143 0.995 25703 35 1 . 1 1 7 7 THR H H 7 7.467 7.467 7.422 0.045 25703 36 1 . 1 1 8 8 ALA N N 8 125.007 125.007 125.641 -0.634 25703 37 1 . 1 1 8 8 ALA HA H 8 3.705 3.705 4.086 -0.381 25703 38 1 . 1 1 8 8 ALA C C 8 178.859 178.859 179.640 -0.781 25703 39 1 . 1 1 8 8 ALA CA C 8 55.453 55.453 55.285 0.168 25703 40 1 . 1 1 8 8 ALA CB C 8 18.689 18.689 18.183 0.506 25703 41 1 . 1 1 8 8 ALA H H 8 9.038 9.038 8.906 0.132 25703 42 1 . 1 1 9 9 SER N N 9 113.408 113.408 113.608 -0.200 25703 43 1 . 1 1 9 9 SER HA H 9 4.124 4.124 4.107 0.017 25703 44 1 . 1 1 9 9 SER C C 9 176.575 176.575 176.739 -0.164 25703 45 1 . 1 1 9 9 SER CA C 9 61.528 61.528 61.628 -0.100 25703 46 1 . 1 1 9 9 SER CB C 9 62.703 62.703 62.292 0.411 25703 47 1 . 1 1 9 9 SER H H 9 8.159 8.159 8.480 -0.321 25703 48 1 . 1 1 10 10 GLU N N 10 123.005 123.005 121.433 1.572 25703 49 1 . 1 1 10 10 GLU HA H 10 3.853 3.853 3.730 0.123 25703 50 1 . 1 1 10 10 GLU C C 10 178.294 178.294 178.149 0.145 25703 51 1 . 1 1 10 10 GLU CA C 10 59.266 59.266 58.584 0.682 25703 52 1 . 1 1 10 10 GLU CB C 10 31.536 31.536 28.825 2.710 25703 53 1 . 1 1 10 10 GLU H H 10 7.552 7.552 7.536 0.016 25703 54 1 . 1 1 11 11 PHE N N 11 121.633 121.633 120.135 1.498 25703 55 1 . 1 1 11 11 PHE HA H 11 2.864 2.864 3.656 -0.792 25703 56 1 . 1 1 11 11 PHE C C 11 176.786 176.786 176.811 -0.025 25703 57 1 . 1 1 11 11 PHE CA C 11 61.182 61.182 60.874 0.308 25703 58 1 . 1 1 11 11 PHE CB C 11 38.202 38.202 39.183 -0.981 25703 59 1 . 1 1 11 11 PHE H H 11 6.632 6.632 7.576 -0.944 25703 60 1 . 1 1 12 12 ASP N N 12 118.991 118.991 119.286 -0.295 25703 61 1 . 1 1 12 12 ASP HA H 12 3.841 3.841 3.782 0.059 25703 62 1 . 1 1 12 12 ASP C C 12 178.286 178.286 178.489 -0.203 25703 63 1 . 1 1 12 12 ASP CA C 12 57.547 57.547 57.564 -0.017 25703 64 1 . 1 1 12 12 ASP CB C 12 40.790 40.790 40.505 0.285 25703 65 1 . 1 1 12 12 ASP H H 12 7.687 7.687 8.623 -0.936 25703 66 1 . 1 1 13 13 SER N N 13 112.966 112.966 114.942 -1.976 25703 67 1 . 1 1 13 13 SER HA H 13 4.022 4.022 4.098 -0.076 25703 68 1 . 1 1 13 13 SER C C 13 175.827 175.827 175.652 0.175 25703 69 1 . 1 1 13 13 SER CA C 13 61.410 61.410 60.965 0.445 25703 70 1 . 1 1 13 13 SER CB C 13 63.499 63.499 63.037 0.462 25703 71 1 . 1 1 13 13 SER H H 13 7.563 7.563 7.832 -0.269 25703 72 1 . 1 1 14 14 ALA N N 14 124.823 124.823 123.133 1.690 25703 73 1 . 1 1 14 14 ALA HA H 14 4.025 4.025 4.161 -0.135 25703 74 1 . 1 1 14 14 ALA C C 14 179.909 179.909 179.733 0.176 25703 75 1 . 1 1 14 14 ALA CA C 14 54.710 54.710 54.496 0.214 25703 76 1 . 1 1 14 14 ALA CB C 14 19.286 19.286 18.867 0.419 25703 77 1 . 1 1 14 14 ALA H H 14 7.671 7.671 7.128 0.543 25703 78 1 . 1 1 15 15 ILE N N 15 108.002 108.002 114.792 -6.790 25703 79 1 . 1 1 15 15 ILE HA H 15 3.721 3.721 3.773 -0.052 25703 80 1 . 1 1 15 15 ILE C C 15 175.512 175.512 176.902 -1.390 25703 81 1 . 1 1 15 15 ILE CA C 15 64.058 64.058 63.970 0.088 25703 82 1 . 1 1 15 15 ILE CB C 15 38.277 38.277 37.025 1.252 25703 83 1 . 1 1 15 15 ILE H H 15 7.195 7.195 7.996 -0.801 25703 84 1 . 1 1 16 16 ALA N N 16 123.051 123.051 120.888 2.163 25703 85 1 . 1 1 16 16 ALA HA H 16 4.013 4.013 4.257 -0.244 25703 86 1 . 1 1 16 16 ALA C C 16 176.636 176.636 178.016 -1.380 25703 87 1 . 1 1 16 16 ALA CA C 16 52.318 52.318 52.386 -0.068 25703 88 1 . 1 1 16 16 ALA CB C 16 18.956 18.956 18.604 0.352 25703 89 1 . 1 1 16 16 ALA H H 16 6.623 6.623 7.427 -0.804 25703 90 1 . 1 1 17 17 GLN N N 17 116.236 116.236 119.006 -2.770 25703 91 1 . 1 1 17 17 GLN HA H 17 4.198 4.198 4.234 -0.036 25703 92 1 . 1 1 17 17 GLN C C 17 174.965 174.965 175.185 -0.220 25703 93 1 . 1 1 17 17 GLN CA C 17 56.422 56.422 55.235 1.187 25703 94 1 . 1 1 17 17 GLN CB C 17 34.338 34.338 29.543 4.796 25703 95 1 . 1 1 17 17 GLN H H 17 7.140 7.140 7.594 -0.454 25703 96 1 . 1 1 18 18 ASP N N 18 123.905 123.905 120.329 3.576 25703 97 1 . 1 1 18 18 ASP HA H 18 4.998 4.998 4.657 0.341 25703 98 1 . 1 1 18 18 ASP C C 18 174.817 174.817 175.447 -0.630 25703 99 1 . 1 1 18 18 ASP CB C 18 39.414 39.414 40.008 -0.594 25703 100 1 . 1 1 18 18 ASP H H 18 8.651 8.651 8.714 -0.063 25703 101 1 . 1 1 19 19 LYS N N 19 119.499 119.499 116.373 3.126 25703 102 1 . 1 1 19 19 LYS HA H 19 4.384 4.384 4.530 -0.146 25703 103 1 . 1 1 19 19 LYS C C 19 172.740 172.740 174.898 -2.158 25703 104 1 . 1 1 19 19 LYS CA C 19 55.163 55.163 54.340 0.823 25703 105 1 . 1 1 19 19 LYS CB C 19 34.721 34.721 35.166 -0.445 25703 106 1 . 1 1 19 19 LYS H H 19 7.950 7.950 7.535 0.415 25703 107 1 . 1 1 20 20 LEU N N 20 121.877 121.877 123.962 -2.085 25703 108 1 . 1 1 20 20 LEU HA H 20 4.972 4.972 4.742 0.230 25703 109 1 . 1 1 20 20 LEU C C 20 173.937 173.937 175.290 -1.353 25703 110 1 . 1 1 20 20 LEU CA C 20 57.132 57.132 54.720 2.412 25703 111 1 . 1 1 20 20 LEU CB C 20 42.012 42.012 41.324 0.688 25703 112 1 . 1 1 20 20 LEU H H 20 8.641 8.641 8.760 -0.119 25703 113 1 . 1 1 21 21 VAL N N 21 129.812 129.812 128.605 1.207 25703 114 1 . 1 1 21 21 VAL HA H 21 4.439 4.439 4.602 -0.163 25703 115 1 . 1 1 21 21 VAL C C 21 173.493 173.493 174.531 -1.038 25703 116 1 . 1 1 21 21 VAL CA C 21 62.510 62.510 61.500 1.010 25703 117 1 . 1 1 21 21 VAL CB C 21 34.732 34.732 33.301 1.431 25703 118 1 . 1 1 21 21 VAL H H 21 9.263 9.263 9.043 0.220 25703 119 1 . 1 1 22 22 VAL N N 22 131.684 131.684 129.573 2.111 25703 120 1 . 1 1 22 22 VAL HA H 22 4.408 4.408 4.876 -0.468 25703 121 1 . 1 1 22 22 VAL C C 22 174.331 174.331 173.982 0.350 25703 122 1 . 1 1 22 22 VAL CA C 22 61.561 61.561 60.112 1.449 25703 123 1 . 1 1 22 22 VAL CB C 22 33.630 33.630 32.934 0.697 25703 124 1 . 1 1 22 22 VAL H H 22 9.006 9.006 8.790 0.216 25703 125 1 . 1 1 23 23 VAL N N 23 126.475 126.475 130.594 -4.119 25703 126 1 . 1 1 23 23 VAL HA H 23 4.422 4.422 5.114 -0.692 25703 127 1 . 1 1 23 23 VAL C C 23 174.342 174.342 174.270 0.072 25703 128 1 . 1 1 23 23 VAL CA C 23 61.672 61.672 60.188 1.484 25703 129 1 . 1 1 23 23 VAL CB C 23 34.042 34.042 34.732 -0.690 25703 130 1 . 1 1 23 23 VAL H H 23 9.551 9.551 8.373 1.178 25703 131 1 . 1 1 24 24 ALA N N 24 131.649 131.649 127.823 3.826 25703 132 1 . 1 1 24 24 ALA HA H 24 4.953 4.953 5.518 -0.565 25703 133 1 . 1 1 24 24 ALA C C 24 174.683 174.683 176.826 -2.143 25703 134 1 . 1 1 24 24 ALA CA C 24 51.712 51.712 49.500 2.212 25703 135 1 . 1 1 24 24 ALA CB C 24 20.149 20.149 21.880 -1.731 25703 136 1 . 1 1 24 24 ALA H H 24 8.991 8.991 8.385 0.606 25703 137 1 . 1 1 25 25 PHE N N 25 124.535 124.535 124.568 -0.033 25703 138 1 . 1 1 25 25 PHE HA H 25 5.002 5.002 4.683 0.319 25703 139 1 . 1 1 25 25 PHE C C 25 174.231 174.231 174.645 -0.414 25703 140 1 . 1 1 25 25 PHE CA C 25 58.196 58.196 59.038 -0.842 25703 141 1 . 1 1 25 25 PHE CB C 25 40.231 40.231 39.013 1.218 25703 142 1 . 1 1 25 25 PHE H H 25 9.231 9.231 8.542 0.689 25703 143 1 . 1 1 26 26 TYR N N 26 121.986 121.986 123.221 -1.235 25703 144 1 . 1 1 26 26 TYR HA H 26 5.112 5.112 4.732 0.380 25703 145 1 . 1 1 26 26 TYR C C 26 170.727 170.727 174.085 -3.358 25703 146 1 . 1 1 26 26 TYR CA C 26 55.240 55.240 56.304 -1.064 25703 147 1 . 1 1 26 26 TYR CB C 26 43.023 43.023 43.155 -0.132 25703 148 1 . 1 1 26 26 TYR H H 26 8.869 8.869 8.919 -0.050 25703 149 1 . 1 1 27 27 ALA N N 27 117.474 117.474 120.333 -2.859 25703 150 1 . 1 1 27 27 ALA HA H 27 4.329 4.329 4.410 -0.081 25703 151 1 . 1 1 27 27 ALA C C 27 178.755 178.755 176.334 2.421 25703 152 1 . 1 1 27 27 ALA CA C 27 50.966 50.966 51.195 -0.229 25703 153 1 . 1 1 27 27 ALA CB C 27 22.735 22.735 20.356 2.379 25703 154 1 . 1 1 27 27 ALA H H 27 6.235 6.235 8.075 -1.840 25703 155 1 . 1 1 28 28 THR N N 28 119.624 119.624 112.860 6.764 25703 156 1 . 1 1 28 28 THR HA H 28 3.907 3.907 4.174 -0.267 25703 157 1 . 1 1 28 28 THR C C 28 174.360 174.360 174.646 -0.286 25703 158 1 . 1 1 28 28 THR CA C 28 65.865 65.865 63.791 2.074 25703 159 1 . 1 1 28 28 THR CB C 28 69.336 69.336 68.941 0.395 25703 160 1 . 1 1 28 28 THR H H 28 10.381 10.381 8.204 2.177 25703 161 1 . 1 1 29 29 TRP N N 29 115.983 115.983 120.486 -4.503 25703 162 1 . 1 1 29 29 TRP HA H 29 4.590 4.590 4.949 -0.359 25703 163 1 . 1 1 29 29 TRP CA C 29 53.924 53.924 54.602 -0.679 25703 164 1 . 1 1 29 29 TRP CB C 29 29.460 29.460 28.140 1.320 25703 165 1 . 1 1 29 29 TRP H H 29 6.472 6.472 6.923 -0.451 25703 166 1 . 1 1 30 30 CYS HA H 30 3.857 3.857 4.891 -1.034 25703 167 1 . 1 1 30 30 CYS CA C 30 58.536 58.536 57.544 0.992 25703 168 1 . 1 1 30 30 CYS CB C 30 37.005 37.005 29.710 7.295 25703 169 1 . 1 1 31 31 GLY CA C 31 48.989 48.989 47.080 1.909 25703 170 1 . 1 1 32 32 PRO HA H 32 4.398 4.398 4.296 0.102 25703 171 1 . 1 1 32 32 PRO C C 32 177.189 177.189 178.380 -1.191 25703 172 1 . 1 1 32 32 PRO CA C 32 65.366 65.366 64.818 0.548 25703 173 1 . 1 1 32 32 PRO CB C 32 32.289 32.289 31.191 1.098 25703 174 1 . 1 1 33 33 CYS N N 33 111.468 111.468 113.409 -1.941 25703 175 1 . 1 1 33 33 CYS HA H 33 4.223 4.223 3.811 0.412 25703 176 1 . 1 1 33 33 CYS CA C 33 65.801 65.801 61.765 4.036 25703 177 1 . 1 1 33 33 CYS CB C 33 34.949 34.949 25.976 8.973 25703 178 1 . 1 1 33 33 CYS H H 33 7.991 7.991 8.292 -0.301 25703 179 1 . 1 1 34 34 LYS HA H 34 3.968 3.968 3.999 -0.031 25703 180 1 . 1 1 34 34 LYS C C 34 178.052 178.052 178.425 -0.373 25703 181 1 . 1 1 34 34 LYS CA C 34 59.661 59.661 58.980 0.681 25703 182 1 . 1 1 34 34 LYS CB C 34 32.513 32.513 32.182 0.331 25703 183 1 . 1 1 35 35 MET N N 35 117.236 117.236 116.179 1.057 25703 184 1 . 1 1 35 35 MET HA H 35 4.194 4.194 4.276 -0.082 25703 185 1 . 1 1 35 35 MET C C 35 177.451 177.451 178.318 -0.867 25703 186 1 . 1 1 35 35 MET CA C 35 57.938 57.938 58.348 -0.410 25703 187 1 . 1 1 35 35 MET CB C 35 32.628 32.628 33.084 -0.456 25703 188 1 . 1 1 35 35 MET H H 35 7.326 7.326 7.547 -0.221 25703 189 1 . 1 1 36 36 ILE N N 36 113.758 113.758 119.299 -5.541 25703 190 1 . 1 1 36 36 ILE HA H 36 4.345 4.345 3.903 0.442 25703 191 1 . 1 1 36 36 ILE C C 36 176.183 176.183 176.594 -0.411 25703 192 1 . 1 1 36 36 ILE CA C 36 60.656 60.656 62.574 -1.918 25703 193 1 . 1 1 36 36 ILE CB C 36 39.657 39.657 37.338 2.319 25703 194 1 . 1 1 36 36 ILE H H 36 7.315 7.315 8.051 -0.735 25703 195 1 . 1 1 37 37 ALA N N 37 126.738 126.738 124.972 1.766 25703 196 1 . 1 1 37 37 ALA HA H 37 4.095 4.095 4.273 -0.178 25703 197 1 . 1 1 37 37 ALA CA C 37 57.562 57.562 56.503 1.059 25703 198 1 . 1 1 37 37 ALA CB C 37 15.912 15.912 16.373 -0.461 25703 199 1 . 1 1 37 37 ALA H H 37 7.447 7.447 7.770 -0.323 25703 200 1 . 1 1 38 38 PRO HA H 38 4.270 4.270 4.248 0.022 25703 201 1 . 1 1 38 38 PRO C C 38 178.922 178.922 178.617 0.305 25703 202 1 . 1 1 38 38 PRO CA C 38 65.743 65.743 65.445 0.298 25703 203 1 . 1 1 38 38 PRO CB C 38 31.224 31.224 31.339 -0.115 25703 204 1 . 1 1 39 39 MET N N 39 118.310 118.310 117.832 0.478 25703 205 1 . 1 1 39 39 MET HA H 39 3.859 3.859 4.006 -0.147 25703 206 1 . 1 1 39 39 MET C C 39 174.441 174.441 178.433 -3.992 25703 207 1 . 1 1 39 39 MET CA C 39 58.390 58.390 57.753 0.637 25703 208 1 . 1 1 39 39 MET CB C 39 31.394 31.394 31.415 -0.021 25703 209 1 . 1 1 39 39 MET H H 39 7.063 7.063 7.270 -0.207 25703 210 1 . 1 1 40 40 ILE N N 40 119.013 119.013 119.101 -0.088 25703 211 1 . 1 1 40 40 ILE HA H 40 3.595 3.595 3.493 0.102 25703 212 1 . 1 1 40 40 ILE C C 40 177.267 177.267 177.900 -0.633 25703 213 1 . 1 1 40 40 ILE CA C 40 64.393 64.393 64.782 -0.389 25703 214 1 . 1 1 40 40 ILE CB C 40 36.259 36.259 37.348 -1.089 25703 215 1 . 1 1 40 40 ILE H H 40 7.752 7.752 8.729 -0.977 25703 216 1 . 1 1 41 41 GLU N N 41 119.530 119.530 120.553 -1.023 25703 217 1 . 1 1 41 41 GLU HA H 41 3.572 3.572 3.817 -0.245 25703 218 1 . 1 1 41 41 GLU C C 41 179.597 179.597 178.839 0.758 25703 219 1 . 1 1 41 41 GLU CA C 41 59.878 59.878 59.403 0.475 25703 220 1 . 1 1 41 41 GLU CB C 41 29.900 29.900 29.257 0.643 25703 221 1 . 1 1 41 41 GLU H H 41 7.442 7.442 7.737 -0.295 25703 222 1 . 1 1 42 42 LYS N N 42 122.053 122.053 120.450 1.603 25703 223 1 . 1 1 42 42 LYS HA H 42 3.932 3.932 4.064 -0.132 25703 224 1 . 1 1 42 42 LYS C C 42 179.390 179.390 179.175 0.215 25703 225 1 . 1 1 42 42 LYS CA C 42 59.532 59.532 58.939 0.593 25703 226 1 . 1 1 42 42 LYS CB C 42 31.281 31.281 31.983 -0.702 25703 227 1 . 1 1 42 42 LYS H H 42 7.428 7.428 7.710 -0.282 25703 228 1 . 1 1 43 43 PHE N N 43 120.250 120.250 117.584 2.666 25703 229 1 . 1 1 43 43 PHE HA H 43 4.639 4.639 4.366 0.273 25703 230 1 . 1 1 43 43 PHE C C 43 177.337 177.337 176.695 0.642 25703 231 1 . 1 1 43 43 PHE CA C 43 59.331 59.331 58.854 0.477 25703 232 1 . 1 1 43 43 PHE CB C 43 37.737 37.737 38.179 -0.442 25703 233 1 . 1 1 43 43 PHE H H 43 8.337 8.337 8.351 -0.014 25703 234 1 . 1 1 44 44 SER N N 44 117.203 117.203 113.027 4.176 25703 235 1 . 1 1 44 44 SER HA H 44 2.967 2.967 3.224 -0.257 25703 236 1 . 1 1 44 44 SER C C 44 174.934 174.934 175.214 -0.280 25703 237 1 . 1 1 44 44 SER CA C 44 61.159 61.159 59.581 1.578 25703 238 1 . 1 1 44 44 SER CB C 44 62.353 62.353 62.535 -0.182 25703 239 1 . 1 1 44 44 SER H H 44 7.754 7.754 7.731 0.023 25703 240 1 . 1 1 45 45 GLU N N 45 121.664 121.664 120.207 1.457 25703 241 1 . 1 1 45 45 GLU HA H 45 4.049 4.049 4.186 -0.137 25703 242 1 . 1 1 45 45 GLU C C 45 177.360 177.360 177.241 0.119 25703 243 1 . 1 1 45 45 GLU CA C 45 57.739 57.739 57.546 0.193 25703 244 1 . 1 1 45 45 GLU CB C 45 30.191 30.191 29.972 0.219 25703 245 1 . 1 1 45 45 GLU H H 45 6.884 6.884 7.620 -0.736 25703 246 1 . 1 1 46 46 GLN N N 46 118.766 118.766 116.589 2.177 25703 247 1 . 1 1 46 46 GLN HA H 46 3.948 3.948 4.362 -0.414 25703 248 1 . 1 1 46 46 GLN C C 46 177.431 177.431 175.718 1.713 25703 249 1 . 1 1 46 46 GLN CA C 46 58.372 58.372 55.394 2.978 25703 250 1 . 1 1 46 46 GLN CB C 46 30.160 30.160 29.210 0.950 25703 251 1 . 1 1 46 46 GLN H H 46 7.551 7.551 7.298 0.253 25703 252 1 . 1 1 47 47 TYR N N 47 117.012 117.012 118.560 -1.548 25703 253 1 . 1 1 47 47 TYR HA H 47 4.971 4.971 4.881 0.090 25703 254 1 . 1 1 47 47 TYR CA C 47 56.523 56.523 53.780 2.743 25703 255 1 . 1 1 47 47 TYR CB C 47 38.479 38.479 37.290 1.189 25703 256 1 . 1 1 47 47 TYR H H 47 7.426 7.426 7.542 -0.116 25703 257 1 . 1 1 48 48 PRO HA H 48 4.388 4.388 4.372 0.016 25703 258 1 . 1 1 48 48 PRO C C 48 176.927 176.927 177.287 -0.360 25703 259 1 . 1 1 48 48 PRO CA C 48 65.425 65.425 64.464 0.961 25703 260 1 . 1 1 48 48 PRO CB C 48 32.619 32.619 32.107 0.512 25703 261 1 . 1 1 49 49 GLN N N 49 120.194 120.194 116.141 4.053 25703 262 1 . 1 1 49 49 GLN HA H 49 4.369 4.369 4.352 0.017 25703 263 1 . 1 1 49 49 GLN C C 49 174.438 174.438 174.732 -0.294 25703 264 1 . 1 1 49 49 GLN CA C 49 56.832 56.832 55.377 1.455 25703 265 1 . 1 1 49 49 GLN CB C 49 28.164 28.164 28.676 -0.512 25703 266 1 . 1 1 49 49 GLN H H 49 9.624 9.624 8.501 1.123 25703 267 1 . 1 1 50 50 ALA N N 50 128.180 128.180 121.857 6.323 25703 268 1 . 1 1 50 50 ALA HA H 50 5.048 5.048 4.505 0.543 25703 269 1 . 1 1 50 50 ALA C C 50 174.685 174.685 175.985 -1.300 25703 270 1 . 1 1 50 50 ALA CA C 50 50.518 50.518 50.513 0.005 25703 271 1 . 1 1 50 50 ALA CB C 50 22.754 22.754 21.261 1.493 25703 272 1 . 1 1 50 50 ALA H H 50 8.179 8.179 7.451 0.728 25703 273 1 . 1 1 51 51 ASP N N 51 121.032 121.032 120.987 0.045 25703 274 1 . 1 1 51 51 ASP HA H 51 5.102 5.102 4.707 0.395 25703 275 1 . 1 1 51 51 ASP C C 51 174.171 174.171 174.422 -0.251 25703 276 1 . 1 1 51 51 ASP CA C 51 53.515 53.515 53.497 0.018 25703 277 1 . 1 1 51 51 ASP CB C 51 44.782 44.782 43.627 1.155 25703 278 1 . 1 1 51 51 ASP H H 51 8.435 8.435 8.426 0.009 25703 279 1 . 1 1 52 52 PHE N N 52 121.696 121.696 121.771 -0.075 25703 280 1 . 1 1 52 52 PHE HA H 52 5.172 5.172 5.005 0.167 25703 281 1 . 1 1 52 52 PHE C C 52 174.110 174.110 173.791 0.319 25703 282 1 . 1 1 52 52 PHE CA C 52 57.189 57.189 55.670 1.519 25703 283 1 . 1 1 52 52 PHE CB C 52 42.291 42.291 39.858 2.433 25703 284 1 . 1 1 52 52 PHE H H 52 8.983 8.983 8.154 0.829 25703 285 1 . 1 1 53 53 TYR N N 53 122.042 122.042 122.571 -0.529 25703 286 1 . 1 1 53 53 TYR HA H 53 5.495 5.495 5.155 0.340 25703 287 1 . 1 1 53 53 TYR C C 53 174.002 174.002 174.995 -0.993 25703 288 1 . 1 1 53 53 TYR CA C 53 56.214 56.214 55.939 0.275 25703 289 1 . 1 1 53 53 TYR CB C 53 46.407 46.407 41.987 4.420 25703 290 1 . 1 1 53 53 TYR H H 53 9.362 9.362 9.172 0.190 25703 291 1 . 1 1 54 54 LYS N N 54 116.808 116.808 121.398 -4.590 25703 292 1 . 1 1 54 54 LYS HA H 54 5.505 5.505 4.772 0.733 25703 293 1 . 1 1 54 54 LYS C C 54 172.792 172.792 174.840 -2.048 25703 294 1 . 1 1 54 54 LYS CA C 54 53.943 53.943 55.117 -1.175 25703 295 1 . 1 1 54 54 LYS CB C 54 36.950 36.950 35.040 1.910 25703 296 1 . 1 1 54 54 LYS H H 54 8.463 8.463 8.917 -0.454 25703 297 1 . 1 1 55 55 LEU N N 55 123.826 123.826 123.681 0.145 25703 298 1 . 1 1 55 55 LEU HA H 55 4.472 4.472 4.510 -0.038 25703 299 1 . 1 1 55 55 LEU C C 55 171.652 171.652 175.631 -3.979 25703 300 1 . 1 1 55 55 LEU CA C 55 55.906 55.906 53.507 2.399 25703 301 1 . 1 1 55 55 LEU CB C 55 46.528 46.528 43.840 2.688 25703 302 1 . 1 1 55 55 LEU H H 55 8.688 8.688 8.889 -0.201 25703 303 1 . 1 1 56 56 ASP N N 56 127.169 127.169 120.691 6.478 25703 304 1 . 1 1 56 56 ASP HA H 56 4.130 4.130 4.840 -0.710 25703 305 1 . 1 1 56 56 ASP C C 56 177.692 177.692 176.693 0.999 25703 306 1 . 1 1 56 56 ASP CA C 56 54.074 54.074 53.672 0.402 25703 307 1 . 1 1 56 56 ASP CB C 56 41.388 41.388 41.568 -0.180 25703 308 1 . 1 1 56 56 ASP H H 56 8.595 8.595 8.734 -0.139 25703 309 1 . 1 1 57 57 VAL N N 57 123.562 123.562 123.730 -0.168 25703 310 1 . 1 1 57 57 VAL HA H 57 3.491 3.491 3.956 -0.465 25703 311 1 . 1 1 57 57 VAL C C 57 175.413 175.413 175.929 -0.516 25703 312 1 . 1 1 57 57 VAL CA C 57 65.095 65.095 64.670 0.425 25703 313 1 . 1 1 57 57 VAL CB C 57 31.658 31.658 31.968 -0.310 25703 314 1 . 1 1 57 57 VAL H H 57 8.712 8.712 8.693 0.019 25703 315 1 . 1 1 58 58 ASP N N 58 120.070 120.070 117.991 2.079 25703 316 1 . 1 1 58 58 ASP HA H 58 4.827 4.827 4.547 0.280 25703 317 1 . 1 1 58 58 ASP C C 58 177.131 177.131 177.890 -0.759 25703 318 1 . 1 1 58 58 ASP CA C 58 57.693 57.693 56.828 0.865 25703 319 1 . 1 1 58 58 ASP CB C 58 40.827 40.827 40.983 -0.156 25703 320 1 . 1 1 58 58 ASP H H 58 8.670 8.670 8.386 0.284 25703 321 1 . 1 1 59 59 GLU N N 59 120.889 120.889 118.268 2.621 25703 322 1 . 1 1 59 59 GLU HA H 59 4.358 4.358 4.427 -0.069 25703 323 1 . 1 1 59 59 GLU C C 59 176.606 176.606 177.842 -1.236 25703 324 1 . 1 1 59 59 GLU CA C 59 57.881 57.881 57.073 0.808 25703 325 1 . 1 1 59 59 GLU CB C 59 32.138 32.138 31.042 1.095 25703 326 1 . 1 1 59 59 GLU H H 59 7.616 7.616 8.059 -0.443 25703 327 1 . 1 1 60 60 LEU N N 60 122.457 122.457 121.244 1.213 25703 328 1 . 1 1 60 60 LEU HA H 60 4.916 4.916 4.698 0.218 25703 329 1 . 1 1 60 60 LEU C C 60 176.538 176.538 177.207 -0.669 25703 330 1 . 1 1 60 60 LEU CA C 60 52.864 52.864 53.145 -0.281 25703 331 1 . 1 1 60 60 LEU CB C 60 42.270 42.270 39.492 2.778 25703 332 1 . 1 1 60 60 LEU H H 60 7.690 7.690 8.453 -0.763 25703 333 1 . 1 1 61 61 GLY N N 61 112.065 112.065 109.415 2.650 25703 334 1 . 1 1 61 61 GLY C C 61 175.917 175.917 175.438 0.479 25703 335 1 . 1 1 61 61 GLY CA C 61 48.760 48.760 46.871 1.889 25703 336 1 . 1 1 61 61 GLY H H 61 8.267 8.267 7.951 0.316 25703 337 1 . 1 1 62 62 ASP N N 62 120.904 120.904 120.820 0.084 25703 338 1 . 1 1 62 62 ASP HA H 62 4.302 4.302 4.386 -0.084 25703 339 1 . 1 1 62 62 ASP C C 62 178.355 178.355 178.094 0.261 25703 340 1 . 1 1 62 62 ASP CA C 62 57.045 57.045 57.403 -0.358 25703 341 1 . 1 1 62 62 ASP CB C 62 39.646 39.646 40.400 -0.754 25703 342 1 . 1 1 62 62 ASP H H 62 9.155 9.155 8.228 0.927 25703 343 1 . 1 1 63 63 VAL N N 63 121.465 121.465 119.665 1.800 25703 344 1 . 1 1 63 63 VAL HA H 63 3.310 3.310 3.742 -0.432 25703 345 1 . 1 1 63 63 VAL C C 63 178.724 178.724 176.932 1.792 25703 346 1 . 1 1 63 63 VAL CA C 63 65.878 65.878 65.251 0.627 25703 347 1 . 1 1 63 63 VAL CB C 63 31.718 31.718 31.705 0.013 25703 348 1 . 1 1 63 63 VAL H H 63 7.263 7.263 7.798 -0.535 25703 349 1 . 1 1 64 64 ALA N N 64 123.341 123.341 121.362 1.979 25703 350 1 . 1 1 64 64 ALA HA H 64 3.774 3.774 3.129 0.645 25703 351 1 . 1 1 64 64 ALA C C 64 177.984 177.984 179.478 -1.494 25703 352 1 . 1 1 64 64 ALA CA C 64 56.326 56.326 54.875 1.451 25703 353 1 . 1 1 64 64 ALA CB C 64 18.296 18.296 17.830 0.466 25703 354 1 . 1 1 64 64 ALA H H 64 7.248 7.248 7.529 -0.281 25703 355 1 . 1 1 65 65 GLN N N 65 118.749 118.749 116.987 1.762 25703 356 1 . 1 1 65 65 GLN HA H 65 4.013 4.013 4.032 -0.019 25703 357 1 . 1 1 65 65 GLN CA C 65 59.524 59.524 58.188 1.336 25703 358 1 . 1 1 65 65 GLN CB C 65 28.802 28.802 28.389 0.413 25703 359 1 . 1 1 65 65 GLN H H 65 8.276 8.276 7.916 0.360 25703 360 1 . 1 1 66 66 LYS N N 66 120.950 120.950 120.537 0.413 25703 361 1 . 1 1 66 66 LYS HA H 66 4.033 4.033 4.086 -0.053 25703 362 1 . 1 1 66 66 LYS C C 66 176.439 176.439 177.970 -1.531 25703 363 1 . 1 1 66 66 LYS CA C 66 59.276 59.276 58.873 0.403 25703 364 1 . 1 1 66 66 LYS CB C 66 32.706 32.706 32.222 0.484 25703 365 1 . 1 1 66 66 LYS H H 66 7.984 7.984 7.977 0.007 25703 366 1 . 1 1 67 67 ASN N N 67 115.512 115.512 115.368 0.144 25703 367 1 . 1 1 67 67 ASN HA H 67 4.698 4.698 4.972 -0.274 25703 368 1 . 1 1 67 67 ASN C C 67 171.075 171.075 173.830 -2.755 25703 369 1 . 1 1 67 67 ASN CA C 67 54.555 54.555 53.340 1.215 25703 370 1 . 1 1 67 67 ASN CB C 67 40.572 40.572 38.939 1.633 25703 371 1 . 1 1 67 67 ASN H H 67 7.052 7.052 7.599 -0.547 25703 372 1 . 1 1 68 68 GLU N N 68 115.540 115.540 115.555 -0.015 25703 373 1 . 1 1 68 68 GLU HA H 68 3.724 3.724 3.875 -0.151 25703 374 1 . 1 1 68 68 GLU C C 68 175.135 175.135 175.032 0.103 25703 375 1 . 1 1 68 68 GLU CA C 68 57.472 57.472 56.988 0.484 25703 376 1 . 1 1 68 68 GLU CB C 68 27.320 27.320 27.214 0.106 25703 377 1 . 1 1 68 68 GLU H H 68 7.708 7.708 7.652 0.056 25703 378 1 . 1 1 69 69 VAL N N 69 121.037 121.037 119.709 1.328 25703 379 1 . 1 1 69 69 VAL HA H 69 3.891 3.891 3.957 -0.066 25703 380 1 . 1 1 69 69 VAL C C 69 174.845 174.845 175.747 -0.902 25703 381 1 . 1 1 69 69 VAL CA C 69 63.315 63.315 63.128 0.187 25703 382 1 . 1 1 69 69 VAL CB C 69 31.259 31.259 31.493 -0.234 25703 383 1 . 1 1 69 69 VAL H H 69 7.786 7.786 8.196 -0.410 25703 384 1 . 1 1 70 70 SER N N 70 123.071 123.071 122.525 0.546 25703 385 1 . 1 1 70 70 SER HA H 70 4.453 4.453 4.571 -0.118 25703 386 1 . 1 1 70 70 SER C C 70 172.450 172.450 174.047 -1.597 25703 387 1 . 1 1 70 70 SER CA C 70 58.194 58.194 58.157 0.037 25703 388 1 . 1 1 70 70 SER CB C 70 65.148 65.148 64.071 1.077 25703 389 1 . 1 1 70 70 SER H H 70 8.556 8.556 8.625 -0.068 25703 390 1 . 1 1 71 71 ALA N N 71 127.000 127.000 125.389 1.611 25703 391 1 . 1 1 71 71 ALA HA H 71 4.554 4.554 4.680 -0.126 25703 392 1 . 1 1 71 71 ALA C C 71 175.018 175.018 175.470 -0.452 25703 393 1 . 1 1 71 71 ALA CA C 71 51.898 51.898 51.834 0.064 25703 394 1 . 1 1 71 71 ALA CB C 71 21.560 21.560 20.617 0.943 25703 395 1 . 1 1 71 71 ALA H H 71 7.884 7.884 7.880 0.004 25703 396 1 . 1 1 72 72 MET N N 72 120.240 120.240 119.744 0.496 25703 397 1 . 1 1 72 72 MET HA H 72 4.827 4.827 5.115 -0.288 25703 398 1 . 1 1 72 72 MET CA C 72 57.888 57.888 51.934 5.954 25703 399 1 . 1 1 72 72 MET CB C 72 36.102 36.102 33.141 2.961 25703 400 1 . 1 1 72 72 MET H H 72 8.664 8.664 8.340 0.324 25703 401 1 . 1 1 73 73 PRO HA H 73 4.988 4.988 5.043 -0.055 25703 402 1 . 1 1 73 73 PRO C C 73 175.162 175.162 176.234 -1.071 25703 403 1 . 1 1 73 73 PRO CA C 73 64.042 64.042 62.185 1.857 25703 404 1 . 1 1 73 73 PRO CB C 73 35.151 35.151 33.354 1.797 25703 405 1 . 1 1 74 74 THR N N 74 114.942 114.942 115.620 -0.678 25703 406 1 . 1 1 74 74 THR HA H 74 4.995 4.995 4.689 0.306 25703 407 1 . 1 1 74 74 THR C C 74 170.891 170.891 173.436 -2.545 25703 408 1 . 1 1 74 74 THR CA C 74 63.926 63.926 62.312 1.614 25703 409 1 . 1 1 74 74 THR CB C 74 73.856 73.856 70.950 2.906 25703 410 1 . 1 1 74 74 THR H H 74 7.490 7.490 8.312 -0.822 25703 411 1 . 1 1 75 75 LEU N N 75 132.149 132.149 129.201 2.948 25703 412 1 . 1 1 75 75 LEU HA H 75 5.493 5.493 5.052 0.441 25703 413 1 . 1 1 75 75 LEU C C 75 174.331 174.331 174.834 -0.503 25703 414 1 . 1 1 75 75 LEU CA C 75 53.852 53.852 54.044 -0.192 25703 415 1 . 1 1 75 75 LEU CB C 75 45.160 45.160 42.693 2.468 25703 416 1 . 1 1 75 75 LEU H H 75 9.427 9.427 8.907 0.520 25703 417 1 . 1 1 76 76 LEU N N 76 124.814 124.814 125.151 -0.337 25703 418 1 . 1 1 76 76 LEU HA H 76 4.932 4.932 4.833 0.099 25703 419 1 . 1 1 76 76 LEU C C 76 173.732 173.732 175.706 -1.974 25703 420 1 . 1 1 76 76 LEU CA C 76 54.032 54.032 53.736 0.296 25703 421 1 . 1 1 76 76 LEU CB C 76 46.726 46.726 43.585 3.141 25703 422 1 . 1 1 76 76 LEU H H 76 9.240 9.240 8.751 0.489 25703 423 1 . 1 1 77 77 LEU N N 77 123.770 123.770 120.972 2.798 25703 424 1 . 1 1 77 77 LEU HA H 77 5.251 5.251 5.255 -0.004 25703 425 1 . 1 1 77 77 LEU C C 77 174.442 174.442 176.154 -1.712 25703 426 1 . 1 1 77 77 LEU CA C 77 55.087 55.087 53.784 1.303 25703 427 1 . 1 1 77 77 LEU CB C 77 43.250 43.250 42.229 1.021 25703 428 1 . 1 1 77 77 LEU H H 77 8.175 8.175 7.990 0.185 25703 429 1 . 1 1 78 78 PHE N N 78 122.975 122.975 123.617 -0.642 25703 430 1 . 1 1 78 78 PHE HA H 78 5.397 5.397 4.868 0.529 25703 431 1 . 1 1 78 78 PHE C C 78 173.920 173.920 174.875 -0.955 25703 432 1 . 1 1 78 78 PHE CA C 78 56.867 56.867 57.312 -0.445 25703 433 1 . 1 1 78 78 PHE CB C 78 44.858 44.858 43.124 1.734 25703 434 1 . 1 1 78 78 PHE H H 78 9.742 9.742 9.337 0.405 25703 435 1 . 1 1 79 79 LYS N N 79 118.164 118.164 121.518 -3.354 25703 436 1 . 1 1 79 79 LYS HA H 79 4.817 4.817 5.024 -0.207 25703 437 1 . 1 1 79 79 LYS C C 79 177.194 177.194 176.165 1.029 25703 438 1 . 1 1 79 79 LYS CA C 79 57.980 57.980 55.321 2.659 25703 439 1 . 1 1 79 79 LYS CB C 79 37.031 37.031 34.653 2.378 25703 440 1 . 1 1 79 79 LYS H H 79 8.745 8.745 8.659 0.086 25703 441 1 . 1 1 80 80 ASN N N 80 126.660 126.660 124.938 1.722 25703 442 1 . 1 1 80 80 ASN HA H 80 4.291 4.291 4.418 -0.127 25703 443 1 . 1 1 80 80 ASN C C 80 174.868 174.868 175.694 -0.826 25703 444 1 . 1 1 80 80 ASN CA C 80 54.925 54.925 54.199 0.726 25703 445 1 . 1 1 80 80 ASN CB C 80 38.055 38.055 36.526 1.529 25703 446 1 . 1 1 80 80 ASN H H 80 8.893 8.893 9.373 -0.480 25703 447 1 . 1 1 81 81 GLY N N 81 103.991 103.991 105.072 -1.081 25703 448 1 . 1 1 81 81 GLY C C 81 172.724 172.724 174.682 -1.958 25703 449 1 . 1 1 81 81 GLY CA C 81 46.145 46.145 45.890 0.255 25703 450 1 . 1 1 81 81 GLY H H 81 8.639 8.639 8.829 -0.190 25703 451 1 . 1 1 82 82 LYS N N 82 120.266 120.266 119.501 0.764 25703 452 1 . 1 1 82 82 LYS HA H 82 4.937 4.937 4.484 0.453 25703 453 1 . 1 1 82 82 LYS C C 82 174.364 174.364 175.905 -1.541 25703 454 1 . 1 1 82 82 LYS CA C 82 55.602 55.602 55.434 0.168 25703 455 1 . 1 1 82 82 LYS CB C 82 35.830 35.830 33.407 2.423 25703 456 1 . 1 1 82 82 LYS H H 82 7.576 7.576 8.203 -0.627 25703 457 1 . 1 1 83 83 GLU N N 83 126.445 126.445 116.651 9.794 25703 458 1 . 1 1 83 83 GLU HA H 83 3.867 3.867 3.796 0.071 25703 459 1 . 1 1 83 83 GLU C C 83 176.728 176.728 174.272 2.456 25703 460 1 . 1 1 83 83 GLU CA C 83 57.345 57.345 57.318 0.027 25703 461 1 . 1 1 83 83 GLU CB C 83 30.927 30.927 29.617 1.310 25703 462 1 . 1 1 83 83 GLU H H 83 8.819 8.819 7.882 0.937 25703 463 1 . 1 1 84 84 VAL N N 84 123.147 123.147 119.060 4.087 25703 464 1 . 1 1 84 84 VAL HA H 84 4.417 4.417 4.180 0.237 25703 465 1 . 1 1 84 84 VAL C C 84 175.128 175.128 173.780 1.348 25703 466 1 . 1 1 84 84 VAL CA C 84 61.453 61.453 62.047 -0.594 25703 467 1 . 1 1 84 84 VAL CB C 84 33.692 33.692 34.478 -0.786 25703 468 1 . 1 1 84 84 VAL H H 84 9.258 9.258 8.306 0.952 25703 469 1 . 1 1 85 85 ALA N N 85 122.281 122.281 121.090 1.191 25703 470 1 . 1 1 85 85 ALA HA H 85 4.414 4.414 4.574 -0.160 25703 471 1 . 1 1 85 85 ALA C C 85 173.291 173.291 174.303 -1.012 25703 472 1 . 1 1 85 85 ALA CA C 85 53.133 53.133 51.644 1.489 25703 473 1 . 1 1 85 85 ALA CB C 85 22.544 22.544 21.375 1.169 25703 474 1 . 1 1 85 85 ALA H H 85 7.573 7.573 7.677 -0.104 25703 475 1 . 1 1 86 86 LYS N N 86 120.704 120.704 121.334 -0.630 25703 476 1 . 1 1 86 86 LYS HA H 86 4.933 4.933 4.551 0.382 25703 477 1 . 1 1 86 86 LYS C C 86 174.506 174.506 174.553 -0.047 25703 478 1 . 1 1 86 86 LYS CA C 86 55.860 55.860 55.813 0.047 25703 479 1 . 1 1 86 86 LYS CB C 86 35.979 35.979 34.601 1.378 25703 480 1 . 1 1 86 86 LYS H H 86 8.014 8.014 8.306 -0.292 25703 481 1 . 1 1 87 87 VAL N N 87 126.817 126.817 126.471 0.346 25703 482 1 . 1 1 87 87 VAL HA H 87 4.276 4.276 4.446 -0.170 25703 483 1 . 1 1 87 87 VAL C C 87 174.002 174.002 174.130 -0.128 25703 484 1 . 1 1 87 87 VAL CA C 87 62.070 62.070 60.941 1.129 25703 485 1 . 1 1 87 87 VAL CB C 87 34.958 34.958 35.179 -0.221 25703 486 1 . 1 1 87 87 VAL H H 87 9.186 9.186 9.000 0.186 25703 487 1 . 1 1 88 88 VAL N N 88 129.683 129.683 125.309 4.373 25703 488 1 . 1 1 88 88 VAL HA H 88 4.446 4.446 4.401 0.045 25703 489 1 . 1 1 88 88 VAL C C 88 175.594 175.594 175.007 0.587 25703 490 1 . 1 1 88 88 VAL CA C 88 62.462 62.462 61.398 1.064 25703 491 1 . 1 1 88 88 VAL CB C 88 33.275 33.275 31.784 1.491 25703 492 1 . 1 1 88 88 VAL H H 88 9.026 9.026 8.497 0.529 25703 493 1 . 1 1 89 89 GLY N N 89 114.918 114.918 114.719 0.199 25703 494 1 . 1 1 89 89 GLY CA C 89 44.014 44.014 45.712 -1.698 25703 495 1 . 1 1 89 89 GLY H H 89 8.298 8.298 7.851 0.447 25703 496 1 . 1 1 90 90 ALA HA H 90 4.227 4.227 4.126 0.101 25703 497 1 . 1 1 90 90 ALA C C 90 174.279 174.279 176.327 -2.048 25703 498 1 . 1 1 90 90 ALA CA C 90 50.915 50.915 52.576 -1.661 25703 499 1 . 1 1 90 90 ALA CB C 90 18.480 18.480 18.070 0.410 25703 500 1 . 1 1 91 91 ASN N N 91 121.022 121.022 120.329 0.693 25703 501 1 . 1 1 91 91 ASN HA H 91 5.114 5.114 5.003 0.111 25703 502 1 . 1 1 91 91 ASN CA C 91 50.500 50.500 50.504 -0.004 25703 503 1 . 1 1 91 91 ASN CB C 91 39.514 39.514 38.460 1.054 25703 504 1 . 1 1 91 91 ASN H H 91 7.360 7.360 8.139 -0.779 25703 505 1 . 1 1 92 92 PRO HA H 92 4.116 4.116 4.319 -0.203 25703 506 1 . 1 1 92 92 PRO CA C 92 63.392 63.392 64.725 -1.333 25703 507 1 . 1 1 93 93 ALA HA H 93 4.074 4.074 4.365 -0.291 25703 508 1 . 1 1 93 93 ALA C C 93 179.673 179.673 178.820 0.853 25703 509 1 . 1 1 93 93 ALA CA C 93 55.353 55.353 53.858 1.495 25703 510 1 . 1 1 93 93 ALA CB C 93 18.455 18.455 18.420 0.035 25703 511 1 . 1 1 94 94 ALA N N 94 121.514 121.514 120.671 0.843 25703 512 1 . 1 1 94 94 ALA HA H 94 4.064 4.064 4.188 -0.124 25703 513 1 . 1 1 94 94 ALA C C 94 180.373 180.373 179.168 1.205 25703 514 1 . 1 1 94 94 ALA CA C 94 55.418 55.418 54.027 1.391 25703 515 1 . 1 1 94 94 ALA CB C 94 19.268 19.268 18.335 0.933 25703 516 1 . 1 1 94 94 ALA H H 94 7.228 7.228 8.033 -0.805 25703 517 1 . 1 1 95 95 ILE N N 95 120.330 120.330 119.646 0.684 25703 518 1 . 1 1 95 95 ILE HA H 95 3.358 3.358 3.782 -0.424 25703 519 1 . 1 1 95 95 ILE C C 95 175.639 175.639 177.053 -1.414 25703 520 1 . 1 1 95 95 ILE CA C 95 66.564 66.564 62.804 3.760 25703 521 1 . 1 1 95 95 ILE CB C 95 38.854 38.854 38.003 0.851 25703 522 1 . 1 1 95 95 ILE H H 95 7.738 7.738 7.821 -0.083 25703 523 1 . 1 1 96 96 LYS N N 96 119.846 119.846 119.166 0.680 25703 524 1 . 1 1 96 96 LYS HA H 96 3.144 3.144 3.966 -0.822 25703 525 1 . 1 1 96 96 LYS C C 96 177.288 177.288 179.025 -1.737 25703 526 1 . 1 1 96 96 LYS CA C 96 60.420 60.420 59.148 1.272 25703 527 1 . 1 1 96 96 LYS CB C 96 32.612 32.612 31.481 1.131 25703 528 1 . 1 1 96 96 LYS H H 96 8.087 8.087 7.709 0.378 25703 529 1 . 1 1 97 97 GLN N N 97 116.484 116.484 119.381 -2.897 25703 530 1 . 1 1 97 97 GLN HA H 97 3.848 3.848 4.054 -0.206 25703 531 1 . 1 1 97 97 GLN C C 97 177.461 177.461 178.125 -0.664 25703 532 1 . 1 1 97 97 GLN CA C 97 59.069 59.069 58.962 0.107 25703 533 1 . 1 1 97 97 GLN CB C 97 28.799 28.799 28.372 0.427 25703 534 1 . 1 1 97 97 GLN H H 97 7.700 7.700 7.661 0.039 25703 535 1 . 1 1 98 98 ALA N N 98 121.852 121.852 121.481 0.371 25703 536 1 . 1 1 98 98 ALA HA H 98 3.921 3.921 4.109 -0.188 25703 537 1 . 1 1 98 98 ALA C C 98 174.452 174.452 179.857 -5.405 25703 538 1 . 1 1 98 98 ALA CA C 98 55.207 55.207 54.761 0.446 25703 539 1 . 1 1 98 98 ALA CB C 98 18.356 18.356 18.607 -0.251 25703 540 1 . 1 1 98 98 ALA H H 98 7.456 7.456 7.555 -0.099 25703 541 1 . 1 1 99 99 ILE N N 99 118.810 118.810 118.684 0.126 25703 542 1 . 1 1 99 99 ILE HA H 99 3.037 3.037 3.815 -0.778 25703 543 1 . 1 1 99 99 ILE C C 99 176.476 176.476 177.318 -0.842 25703 544 1 . 1 1 99 99 ILE CA C 99 65.925 65.925 62.921 3.004 25703 545 1 . 1 1 99 99 ILE CB C 99 38.622 38.622 37.213 1.409 25703 546 1 . 1 1 99 99 ILE H H 99 7.692 7.692 8.621 -0.929 25703 547 1 . 1 1 100 100 ALA N N 100 120.478 120.478 121.055 -0.577 25703 548 1 . 1 1 100 100 ALA HA H 100 3.713 3.713 4.207 -0.494 25703 549 1 . 1 1 100 100 ALA C C 100 179.910 179.910 178.687 1.223 25703 550 1 . 1 1 100 100 ALA CA C 100 55.491 55.491 53.764 1.728 25703 551 1 . 1 1 100 100 ALA CB C 100 18.656 18.656 19.190 -0.534 25703 552 1 . 1 1 100 100 ALA H H 100 8.164 8.164 8.027 0.137 25703 553 1 . 1 1 101 101 ALA N N 101 116.616 116.616 120.838 -4.222 25703 554 1 . 1 1 101 101 ALA HA H 101 4.084 4.084 4.073 0.011 25703 555 1 . 1 1 101 101 ALA C C 101 177.705 177.705 178.929 -1.224 25703 556 1 . 1 1 101 101 ALA CA C 101 54.113 54.113 54.178 -0.065 25703 557 1 . 1 1 101 101 ALA CB C 101 19.576 19.576 19.297 0.279 25703 558 1 . 1 1 101 101 ALA H H 101 7.649 7.649 7.867 -0.218 25703 559 1 . 1 1 102 102 ASN N N 102 114.293 114.293 115.691 -1.398 25703 560 1 . 1 1 102 102 ASN HA H 102 4.753 4.753 4.674 0.079 25703 561 1 . 1 1 102 102 ASN C C 102 172.210 172.210 176.147 -3.937 25703 562 1 . 1 1 102 102 ASN CA C 102 54.809 54.809 53.858 0.951 25703 563 1 . 1 1 102 102 ASN CB C 102 43.388 43.388 39.537 3.851 25703 564 1 . 1 1 102 102 ASN H H 102 7.110 7.110 7.999 -0.889 25703 stop_ save_