data_25098 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25098 _Entry.PDB_ID 2MRY 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 25098 _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 28 28 MET N N 28 119.966 119.966 122.338 -2.372 25098 2 1 1 . 1 1 28 28 MET H H 28 8.438 8.438 7.734 0.704 25098 3 1 1 . 1 1 29 29 GLY N N 29 109.326 109.326 109.825 -0.499 25098 4 1 1 . 1 1 29 29 GLY CA C 29 44.803 44.803 44.402 0.401 25098 5 1 1 . 1 1 29 29 GLY H H 29 8.343 8.343 8.297 0.046 25098 6 1 1 . 1 1 30 30 GLN N N 30 121.171 121.171 119.383 1.788 25098 7 1 1 . 1 1 30 30 GLN HA H 30 4.548 4.548 4.539 0.009 25098 8 1 1 . 1 1 30 30 GLN CA C 30 54.981 54.981 54.704 0.277 25098 9 1 1 . 1 1 30 30 GLN CB C 30 30.824 30.824 32.180 -1.356 25098 10 1 1 . 1 1 30 30 GLN H H 30 8.174 8.174 8.844 -0.670 25098 11 1 1 . 1 1 31 31 LYS N N 31 125.160 125.160 125.349 -0.189 25098 12 1 1 . 1 1 31 31 LYS HA H 31 4.829 4.829 4.362 0.467 25098 13 1 1 . 1 1 31 31 LYS CA C 31 55.952 55.952 56.034 -0.082 25098 14 1 1 . 1 1 31 31 LYS CB C 31 33.322 33.322 33.244 0.078 25098 15 1 1 . 1 1 31 31 LYS H H 31 8.713 8.713 8.752 -0.039 25098 16 1 1 . 1 1 32 32 ALA N N 32 123.842 123.842 129.446 -5.604 25098 17 1 1 . 1 1 32 32 ALA HA H 32 4.125 4.125 4.279 -0.154 25098 18 1 1 . 1 1 32 32 ALA CA C 32 52.301 52.301 51.855 0.446 25098 19 1 1 . 1 1 32 32 ALA CB C 32 18.956 18.956 20.061 -1.105 25098 20 1 1 . 1 1 32 32 ALA H H 32 8.152 8.152 8.178 -0.026 25098 21 1 1 . 1 1 33 33 GLN N N 33 121.807 121.807 120.291 1.516 25098 22 1 1 . 1 1 33 33 GLN HA H 33 4.380 4.380 4.309 0.071 25098 23 1 1 . 1 1 33 33 GLN CA C 33 55.299 55.299 55.322 -0.023 25098 24 1 1 . 1 1 33 33 GLN CB C 33 29.835 29.835 29.551 0.284 25098 25 1 1 . 1 1 33 33 GLN H H 33 8.808 8.808 8.405 0.403 25098 26 1 1 . 1 1 34 34 GLN N N 34 124.320 124.320 124.614 -0.294 25098 27 1 1 . 1 1 34 34 GLN HA H 34 4.212 4.212 4.348 -0.136 25098 28 1 1 . 1 1 34 34 GLN CA C 34 55.368 55.368 55.474 -0.106 25098 29 1 1 . 1 1 34 34 GLN CB C 34 27.615 27.615 29.189 -1.573 25098 30 1 1 . 1 1 34 34 GLN H H 34 9.025 9.025 8.519 0.506 25098 31 1 1 . 1 1 35 35 LYS N N 35 126.662 126.662 123.796 2.866 25098 32 1 1 . 1 1 35 35 LYS HA H 35 4.441 4.441 4.269 0.172 25098 33 1 1 . 1 1 35 35 LYS CA C 35 54.126 54.126 54.218 -0.092 25098 34 1 1 . 1 1 35 35 LYS CB C 35 31.475 31.475 32.737 -1.262 25098 35 1 1 . 1 1 35 35 LYS H H 35 8.479 8.479 8.619 -0.140 25098 36 1 1 . 1 1 36 36 ASN N N 36 118.026 118.026 118.840 -0.814 25098 37 1 1 . 1 1 36 36 ASN HA H 36 4.611 4.611 4.571 0.040 25098 38 1 1 . 1 1 36 36 ASN CA C 36 53.478 53.478 53.881 -0.403 25098 39 1 1 . 1 1 36 36 ASN CB C 36 36.839 36.839 37.141 -0.302 25098 40 1 1 . 1 1 36 36 ASN H H 36 8.062 8.062 8.297 -0.235 25098 41 1 1 . 1 1 37 37 GLY N N 37 111.719 111.719 107.876 3.843 25098 42 1 1 . 1 1 37 37 GLY CA C 37 45.230 45.230 45.540 -0.310 25098 43 1 1 . 1 1 37 37 GLY H H 37 8.285 8.285 8.182 0.103 25098 44 1 1 . 1 1 38 38 TYR N N 38 114.733 114.733 114.124 0.609 25098 45 1 1 . 1 1 38 38 TYR HA H 38 5.107 5.107 5.274 -0.167 25098 46 1 1 . 1 1 38 38 TYR CA C 38 55.398 55.398 55.265 0.133 25098 47 1 1 . 1 1 38 38 TYR CB C 38 39.246 39.246 40.195 -0.949 25098 48 1 1 . 1 1 38 38 TYR H H 38 7.158 7.158 7.208 -0.050 25098 49 1 1 . 1 1 39 39 GLN N N 39 117.964 117.964 117.185 0.779 25098 50 1 1 . 1 1 39 39 GLN HA H 39 5.472 5.472 5.117 0.355 25098 51 1 1 . 1 1 39 39 GLN CA C 39 52.396 52.396 53.786 -1.390 25098 52 1 1 . 1 1 39 39 GLN CB C 39 30.812 30.812 32.645 -1.833 25098 53 1 1 . 1 1 39 39 GLN H H 39 9.401 9.401 9.028 0.373 25098 54 1 1 . 1 1 40 40 GLU N N 40 123.527 123.527 121.410 2.117 25098 55 1 1 . 1 1 40 40 GLU HA H 40 5.809 5.809 5.554 0.255 25098 56 1 1 . 1 1 40 40 GLU CA C 40 54.574 54.574 54.977 -0.403 25098 57 1 1 . 1 1 40 40 GLU CB C 40 35.999 35.999 34.412 1.587 25098 58 1 1 . 1 1 40 40 GLU H H 40 9.027 9.027 8.813 0.214 25098 59 1 1 . 1 1 41 41 ILE N N 41 124.884 124.884 122.830 2.054 25098 60 1 1 . 1 1 41 41 ILE HA H 41 4.686 4.686 4.510 0.176 25098 61 1 1 . 1 1 41 41 ILE CA C 41 59.126 59.126 60.339 -1.213 25098 62 1 1 . 1 1 41 41 ILE CB C 41 42.658 42.658 42.073 0.585 25098 63 1 1 . 1 1 41 41 ILE H H 41 8.503 8.503 8.338 0.165 25098 64 1 1 . 1 1 42 42 ARG N N 42 127.316 127.316 129.121 -1.805 25098 65 1 1 . 1 1 42 42 ARG HA H 42 5.136 5.136 4.583 0.553 25098 66 1 1 . 1 1 42 42 ARG CA C 42 54.461 54.461 55.774 -1.313 25098 67 1 1 . 1 1 42 42 ARG CB C 42 32.141 32.141 30.538 1.603 25098 68 1 1 . 1 1 42 42 ARG H H 42 7.942 7.942 8.630 -0.689 25098 69 1 1 . 1 1 43 43 VAL N N 43 126.060 126.060 127.485 -1.425 25098 70 1 1 . 1 1 43 43 VAL HA H 43 4.357 4.357 4.225 0.132 25098 71 1 1 . 1 1 43 43 VAL CA C 43 61.020 61.020 61.896 -0.876 25098 72 1 1 . 1 1 43 43 VAL CB C 43 34.375 34.375 32.755 1.620 25098 73 1 1 . 1 1 43 43 VAL H H 43 9.158 9.158 8.912 0.246 25098 74 1 1 . 1 1 44 44 GLU N N 44 127.592 127.592 129.392 -1.800 25098 75 1 1 . 1 1 44 44 GLU HA H 44 4.782 4.782 4.320 0.462 25098 76 1 1 . 1 1 44 44 GLU CA C 44 55.944 55.944 56.930 -0.986 25098 77 1 1 . 1 1 44 44 GLU CB C 44 31.779 31.779 30.204 1.575 25098 78 1 1 . 1 1 44 44 GLU H H 44 9.086 9.086 8.859 0.227 25098 79 1 1 . 1 1 45 45 VAL N N 45 126.323 126.323 128.558 -2.235 25098 80 1 1 . 1 1 45 45 VAL HA H 45 4.910 4.910 4.699 0.211 25098 81 1 1 . 1 1 45 45 VAL CA C 45 61.122 61.122 62.523 -1.401 25098 82 1 1 . 1 1 45 45 VAL CB C 45 31.501 31.501 32.143 -0.642 25098 83 1 1 . 1 1 45 45 VAL H H 45 8.617 8.617 8.980 -0.363 25098 84 1 1 . 1 1 46 46 MET N N 46 127.658 127.658 124.072 3.586 25098 85 1 1 . 1 1 46 46 MET HA H 46 4.755 4.755 4.891 -0.136 25098 86 1 1 . 1 1 46 46 MET CA C 46 55.999 55.999 54.317 1.682 25098 87 1 1 . 1 1 46 46 MET CB C 46 32.530 32.530 33.273 -0.743 25098 88 1 1 . 1 1 46 46 MET H H 46 8.319 8.319 8.095 0.224 25098 89 1 1 . 1 1 47 47 GLY N N 47 119.231 119.231 108.271 10.960 25098 90 1 1 . 1 1 47 47 GLY CA C 47 46.863 46.863 45.490 1.373 25098 91 1 1 . 1 1 47 47 GLY H H 47 10.065 10.065 8.421 1.644 25098 92 1 1 . 1 1 48 48 GLY N N 48 102.924 102.924 105.294 -2.370 25098 93 1 1 . 1 1 48 48 GLY CA C 48 43.176 43.176 44.087 -0.911 25098 94 1 1 . 1 1 48 48 GLY H H 48 6.639 6.639 7.493 -0.854 25098 95 1 1 . 1 1 49 49 TYR N N 49 120.115 120.115 119.194 0.921 25098 96 1 1 . 1 1 49 49 TYR HA H 49 5.267 5.267 4.989 0.278 25098 97 1 1 . 1 1 49 49 TYR CA C 49 56.991 56.991 57.309 -0.318 25098 98 1 1 . 1 1 49 49 TYR CB C 49 40.490 40.490 38.290 2.200 25098 99 1 1 . 1 1 49 49 TYR H H 49 8.364 8.364 8.503 -0.139 25098 100 1 1 . 1 1 50 50 THR N N 50 117.545 117.545 119.238 -1.693 25098 101 1 1 . 1 1 50 50 THR HA H 50 4.742 4.742 4.367 0.375 25098 102 1 1 . 1 1 50 50 THR CA C 50 59.224 59.224 65.005 -5.781 25098 103 1 1 . 1 1 50 50 THR CB C 50 71.576 71.576 67.563 4.013 25098 104 1 1 . 1 1 50 50 THR H H 50 8.574 8.574 8.360 0.214 25098 105 1 1 . 1 1 51 51 PRO HA H 51 4.928 4.928 4.534 0.394 25098 106 1 1 . 1 1 51 51 PRO CA C 51 63.206 63.206 62.981 0.225 25098 107 1 1 . 1 1 51 51 PRO CB C 51 34.946 34.946 30.988 3.958 25098 108 1 1 . 1 1 52 52 GLU N N 52 114.661 114.661 121.563 -6.902 25098 109 1 1 . 1 1 52 52 GLU HA H 52 4.468 4.468 4.084 0.384 25098 110 1 1 . 1 1 52 52 GLU CA C 52 55.828 55.828 58.960 -3.132 25098 111 1 1 . 1 1 52 52 GLU CB C 52 30.239 30.239 29.971 0.268 25098 112 1 1 . 1 1 52 52 GLU H H 52 8.351 8.351 8.462 -0.111 25098 113 1 1 . 1 1 53 53 LEU N N 53 123.273 123.273 115.970 7.303 25098 114 1 1 . 1 1 53 53 LEU HA H 53 5.504 5.504 5.526 -0.022 25098 115 1 1 . 1 1 53 53 LEU CA C 53 54.005 54.005 52.613 1.392 25098 116 1 1 . 1 1 53 53 LEU CB C 53 44.276 44.276 44.116 0.160 25098 117 1 1 . 1 1 53 53 LEU H H 53 7.476 7.476 7.562 -0.086 25098 118 1 1 . 1 1 54 54 ILE N N 54 121.159 121.159 120.222 0.937 25098 119 1 1 . 1 1 54 54 ILE HA H 54 5.238 5.238 5.310 -0.072 25098 120 1 1 . 1 1 54 54 ILE CA C 54 59.006 59.006 59.176 -0.170 25098 121 1 1 . 1 1 54 54 ILE CB C 54 41.979 41.979 39.105 2.874 25098 122 1 1 . 1 1 54 54 ILE H H 54 8.732 8.732 9.217 -0.485 25098 123 1 1 . 1 1 55 55 VAL N N 55 123.295 123.295 126.882 -3.587 25098 124 1 1 . 1 1 55 55 VAL HA H 55 5.138 5.138 4.944 0.194 25098 125 1 1 . 1 1 55 55 VAL CA C 55 61.216 61.216 62.112 -0.896 25098 126 1 1 . 1 1 55 55 VAL CB C 55 33.376 33.376 32.747 0.629 25098 127 1 1 . 1 1 55 55 VAL H H 55 8.456 8.456 8.701 -0.245 25098 128 1 1 . 1 1 56 56 LEU N N 56 129.681 129.681 126.953 2.728 25098 129 1 1 . 1 1 56 56 LEU HA H 56 4.637 4.637 4.985 -0.348 25098 130 1 1 . 1 1 56 56 LEU CA C 56 53.044 53.044 53.423 -0.379 25098 131 1 1 . 1 1 56 56 LEU CB C 56 45.712 45.712 46.705 -0.993 25098 132 1 1 . 1 1 56 56 LEU H H 56 9.646 9.646 9.234 0.412 25098 133 1 1 . 1 1 57 57 LYS N N 57 121.874 121.874 119.759 2.115 25098 134 1 1 . 1 1 57 57 LYS HA H 57 4.815 4.815 4.551 0.264 25098 135 1 1 . 1 1 57 57 LYS CA C 57 55.095 55.095 54.430 0.665 25098 136 1 1 . 1 1 57 57 LYS CB C 57 33.701 33.701 33.832 -0.131 25098 137 1 1 . 1 1 57 57 LYS H H 57 9.619 9.619 8.793 0.826 25098 138 1 1 . 1 1 58 58 LYS N N 58 124.865 124.865 120.815 4.050 25098 139 1 1 . 1 1 58 58 LYS HA H 58 3.714 3.714 4.583 -0.869 25098 140 1 1 . 1 1 58 58 LYS CA C 58 57.532 57.532 55.403 2.129 25098 141 1 1 . 1 1 58 58 LYS CB C 58 33.246 33.246 34.078 -0.832 25098 142 1 1 . 1 1 58 58 LYS H H 58 8.793 8.793 8.302 0.491 25098 143 1 1 . 1 1 59 59 SER N N 59 113.482 113.482 117.654 -4.172 25098 144 1 1 . 1 1 59 59 SER HA H 59 4.084 4.084 4.110 -0.026 25098 145 1 1 . 1 1 59 59 SER CA C 59 61.005 61.005 59.841 1.164 25098 146 1 1 . 1 1 59 59 SER CB C 59 60.917 60.917 62.630 -1.713 25098 147 1 1 . 1 1 59 59 SER H H 59 8.946 8.946 9.097 -0.151 25098 148 1 1 . 1 1 60 60 VAL N N 60 123.081 123.081 120.917 2.164 25098 149 1 1 . 1 1 60 60 VAL HA H 60 4.448 4.448 4.606 -0.158 25098 150 1 1 . 1 1 60 60 VAL CA C 60 59.101 59.101 58.517 0.584 25098 151 1 1 . 1 1 60 60 VAL CB C 60 33.818 33.818 34.717 -0.898 25098 152 1 1 . 1 1 60 60 VAL H H 60 6.974 6.974 7.508 -0.534 25098 153 1 1 . 1 1 61 61 PRO HA H 61 4.405 4.405 4.679 -0.274 25098 154 1 1 . 1 1 61 61 PRO CA C 61 64.752 64.752 63.043 1.709 25098 155 1 1 . 1 1 61 61 PRO CB C 61 32.273 32.273 31.199 1.074 25098 156 1 1 . 1 1 62 62 ALA N N 62 124.881 124.881 126.837 -1.956 25098 157 1 1 . 1 1 62 62 ALA HA H 62 5.452 5.452 5.327 0.125 25098 158 1 1 . 1 1 62 62 ALA CA C 62 49.746 49.746 50.286 -0.540 25098 159 1 1 . 1 1 62 62 ALA CB C 62 22.483 22.483 22.799 -0.316 25098 160 1 1 . 1 1 62 62 ALA H H 62 9.244 9.244 9.216 0.028 25098 161 1 1 . 1 1 63 63 ARG N N 63 122.869 122.869 122.145 0.724 25098 162 1 1 . 1 1 63 63 ARG HA H 63 4.498 4.498 5.426 -0.928 25098 163 1 1 . 1 1 63 63 ARG CA C 63 55.022 55.022 53.461 1.561 25098 164 1 1 . 1 1 63 63 ARG CB C 63 31.637 31.637 32.697 -1.060 25098 165 1 1 . 1 1 63 63 ARG H H 63 8.858 8.858 9.025 -0.167 25098 166 1 1 . 1 1 64 64 ILE N N 64 125.797 125.797 124.914 0.883 25098 167 1 1 . 1 1 64 64 ILE HA H 64 4.367 4.367 4.363 0.004 25098 168 1 1 . 1 1 64 64 ILE CA C 64 60.028 60.028 58.697 1.331 25098 169 1 1 . 1 1 64 64 ILE CB C 64 37.499 37.499 37.367 0.132 25098 170 1 1 . 1 1 64 64 ILE H H 64 9.033 9.033 8.844 0.189 25098 171 1 1 . 1 1 65 65 VAL N N 65 127.998 127.998 128.044 -0.046 25098 172 1 1 . 1 1 65 65 VAL HA H 65 4.122 4.122 4.186 -0.064 25098 173 1 1 . 1 1 65 65 VAL CA C 65 61.697 61.697 62.118 -0.421 25098 174 1 1 . 1 1 65 65 VAL CB C 65 32.480 32.480 30.833 1.647 25098 175 1 1 . 1 1 65 65 VAL H H 65 8.800 8.800 8.934 -0.134 25098 176 1 1 . 1 1 66 66 PHE N N 66 126.431 126.431 128.576 -2.145 25098 177 1 1 . 1 1 66 66 PHE HA H 66 5.190 5.190 5.066 0.124 25098 178 1 1 . 1 1 66 66 PHE CA C 66 58.012 58.012 56.900 1.112 25098 179 1 1 . 1 1 66 66 PHE CB C 66 41.731 41.731 39.390 2.341 25098 180 1 1 . 1 1 66 66 PHE H H 66 9.536 9.536 9.386 0.150 25098 181 1 1 . 1 1 67 67 ASP N N 67 123.469 123.469 125.312 -1.843 25098 182 1 1 . 1 1 67 67 ASP HA H 67 4.986 4.986 5.026 -0.040 25098 183 1 1 . 1 1 67 67 ASP CA C 67 52.158 52.158 53.825 -1.667 25098 184 1 1 . 1 1 67 67 ASP CB C 67 42.083 42.083 42.376 -0.293 25098 185 1 1 . 1 1 67 67 ASP H H 67 8.806 8.806 8.661 0.145 25098 186 1 1 . 1 1 68 68 ARG N N 68 124.864 124.864 128.556 -3.692 25098 187 1 1 . 1 1 68 68 ARG HA H 68 4.760 4.760 4.460 0.300 25098 188 1 1 . 1 1 68 68 ARG CA C 68 58.018 58.018 56.457 1.561 25098 189 1 1 . 1 1 68 68 ARG CB C 68 30.605 30.605 30.051 0.554 25098 190 1 1 . 1 1 68 68 ARG H H 68 8.598 8.598 8.441 0.157 25098 191 1 1 . 1 1 69 69 LYS N N 69 126.910 126.910 127.116 -0.206 25098 192 1 1 . 1 1 69 69 LYS HA H 69 4.662 4.662 4.421 0.241 25098 193 1 1 . 1 1 69 69 LYS CA C 69 55.222 55.222 56.626 -1.404 25098 194 1 1 . 1 1 69 69 LYS CB C 69 34.788 34.788 33.529 1.259 25098 195 1 1 . 1 1 69 69 LYS H H 69 8.348 8.348 8.975 -0.627 25098 196 1 1 . 1 1 70 70 ASP N N 70 119.420 119.420 119.374 0.046 25098 197 1 1 . 1 1 70 70 ASP HA H 70 5.085 5.085 4.973 0.112 25098 198 1 1 . 1 1 70 70 ASP CA C 70 49.872 49.872 50.968 -1.096 25098 199 1 1 . 1 1 70 70 ASP CB C 70 45.194 45.194 42.844 2.350 25098 200 1 1 . 1 1 70 70 ASP H H 70 6.675 6.675 7.890 -1.215 25098 201 1 1 . 1 1 71 71 PRO HA H 71 4.589 4.589 4.538 0.051 25098 202 1 1 . 1 1 71 71 PRO CA C 71 63.781 63.781 62.569 1.212 25098 203 1 1 . 1 1 72 72 SER N N 72 121.578 121.578 118.576 3.002 25098 204 1 1 . 1 1 72 72 SER HA H 72 4.462 4.462 4.530 -0.068 25098 205 1 1 . 1 1 72 72 SER CA C 72 57.029 57.029 56.614 0.416 25098 206 1 1 . 1 1 72 72 SER CB C 72 63.781 63.781 62.818 0.963 25098 207 1 1 . 1 1 72 72 SER H H 72 8.624 8.624 7.727 0.897 25098 208 1 1 . 1 1 73 73 PRO HA H 73 4.348 4.348 4.343 0.005 25098 209 1 1 . 1 1 73 73 PRO CA C 73 64.297 64.297 65.121 -0.824 25098 210 1 1 . 1 1 74 74 CYS N N 74 114.456 114.456 114.142 0.314 25098 211 1 1 . 1 1 74 74 CYS HA H 74 4.320 4.320 4.402 -0.082 25098 212 1 1 . 1 1 74 74 CYS CA C 74 60.192 60.192 57.795 2.397 25098 213 1 1 . 1 1 74 74 CYS CB C 74 27.035 27.035 26.345 0.690 25098 214 1 1 . 1 1 74 74 CYS H H 74 8.010 8.010 8.054 -0.044 25098 215 1 1 . 1 1 75 75 LEU N N 75 120.476 120.476 119.507 0.969 25098 216 1 1 . 1 1 75 75 LEU HA H 75 4.546 4.546 4.480 0.066 25098 217 1 1 . 1 1 75 75 LEU CA C 75 53.987 53.987 54.110 -0.123 25098 218 1 1 . 1 1 75 75 LEU CB C 75 41.083 41.083 42.385 -1.302 25098 219 1 1 . 1 1 75 75 LEU H H 75 7.629 7.629 7.494 0.135 25098 220 1 1 . 1 1 76 76 ASP N N 76 117.861 117.861 121.025 -3.164 25098 221 1 1 . 1 1 76 76 ASP HA H 76 4.466 4.466 4.482 -0.016 25098 222 1 1 . 1 1 76 76 ASP CB C 76 41.608 41.608 42.378 -0.770 25098 223 1 1 . 1 1 76 76 ASP H H 76 7.465 7.465 7.679 -0.214 25098 224 1 1 . 1 1 77 77 GLN HA H 77 5.368 5.368 4.817 0.551 25098 225 1 1 . 1 1 77 77 GLN CA C 77 53.830 53.830 54.558 -0.728 25098 226 1 1 . 1 1 77 77 GLN CB C 77 33.290 33.290 32.955 0.335 25098 227 1 1 . 1 1 78 78 ILE N N 78 123.134 123.134 121.995 1.139 25098 228 1 1 . 1 1 78 78 ILE HA H 78 4.893 4.893 4.411 0.482 25098 229 1 1 . 1 1 78 78 ILE CA C 78 56.862 56.862 60.148 -3.286 25098 230 1 1 . 1 1 78 78 ILE CB C 78 42.611 42.611 42.024 0.587 25098 231 1 1 . 1 1 78 78 ILE H H 78 9.043 9.043 9.098 -0.055 25098 232 1 1 . 1 1 79 79 VAL N N 79 125.068 125.068 128.795 -3.727 25098 233 1 1 . 1 1 79 79 VAL HA H 79 4.911 4.911 5.367 -0.456 25098 234 1 1 . 1 1 79 79 VAL CB C 79 35.336 35.336 35.749 -0.413 25098 235 1 1 . 1 1 79 79 VAL H H 79 8.911 8.911 8.229 0.682 25098 236 1 1 . 1 1 80 80 PHE N N 80 123.479 123.479 128.881 -5.402 25098 237 1 1 . 1 1 80 80 PHE HA H 80 5.574 5.574 5.253 0.321 25098 238 1 1 . 1 1 80 80 PHE CA C 80 53.684 53.684 55.556 -1.872 25098 239 1 1 . 1 1 80 80 PHE CB C 80 39.905 39.905 39.322 0.583 25098 240 1 1 . 1 1 80 80 PHE H H 80 8.628 8.628 9.602 -0.974 25098 241 1 1 . 1 1 81 81 PRO HA H 81 4.427 4.427 4.376 0.051 25098 242 1 1 . 1 1 81 81 PRO CA C 81 65.254 65.254 65.048 0.206 25098 243 1 1 . 1 1 81 81 PRO CB C 81 32.319 32.319 31.498 0.821 25098 244 1 1 . 1 1 82 82 ASP N N 82 114.119 114.119 118.160 -4.041 25098 245 1 1 . 1 1 82 82 ASP HA H 82 4.484 4.484 4.610 -0.126 25098 246 1 1 . 1 1 82 82 ASP CA C 82 55.569 55.569 55.150 0.419 25098 247 1 1 . 1 1 82 82 ASP CB C 82 41.625 41.625 41.798 -0.173 25098 248 1 1 . 1 1 82 82 ASP H H 82 8.692 8.692 8.561 0.131 25098 249 1 1 . 1 1 83 83 PHE N N 83 113.198 113.198 117.878 -4.680 25098 250 1 1 . 1 1 83 83 PHE HA H 83 4.618 4.618 4.535 0.083 25098 251 1 1 . 1 1 83 83 PHE CA C 83 57.454 57.454 57.994 -0.540 25098 252 1 1 . 1 1 83 83 PHE CB C 83 41.445 41.445 41.999 -0.554 25098 253 1 1 . 1 1 83 83 PHE H H 83 7.434 7.434 7.672 -0.238 25098 254 1 1 . 1 1 84 84 GLY N N 84 108.212 108.212 109.096 -0.884 25098 255 1 1 . 1 1 84 84 GLY CA C 84 46.552 46.552 45.472 1.080 25098 256 1 1 . 1 1 84 84 GLY H H 84 7.677 7.677 8.510 -0.833 25098 257 1 1 . 1 1 85 85 VAL N N 85 117.875 117.875 122.614 -4.739 25098 258 1 1 . 1 1 85 85 VAL HA H 85 4.270 4.270 4.110 0.160 25098 259 1 1 . 1 1 85 85 VAL CA C 85 61.664 61.664 61.820 -0.156 25098 260 1 1 . 1 1 85 85 VAL CB C 85 34.286 34.286 32.612 1.674 25098 261 1 1 . 1 1 85 85 VAL H H 85 7.075 7.075 7.425 -0.350 25098 262 1 1 . 1 1 86 86 HIS N N 86 129.355 129.355 124.200 5.155 25098 263 1 1 . 1 1 86 86 HIS HA H 86 5.204 5.204 5.581 -0.377 25098 264 1 1 . 1 1 86 86 HIS CA C 86 55.513 55.513 53.353 2.160 25098 265 1 1 . 1 1 86 86 HIS CB C 86 31.131 31.131 30.523 0.608 25098 266 1 1 . 1 1 86 86 HIS H H 86 8.921 8.921 8.341 0.580 25098 267 1 1 . 1 1 87 87 ALA N N 87 126.717 126.717 128.021 -1.304 25098 268 1 1 . 1 1 87 87 ALA HA H 87 4.749 4.749 4.777 -0.028 25098 269 1 1 . 1 1 87 87 ALA CA C 87 50.886 50.886 50.194 0.692 25098 270 1 1 . 1 1 87 87 ALA CB C 87 22.088 22.088 22.772 -0.684 25098 271 1 1 . 1 1 87 87 ALA H H 87 8.799 8.799 9.165 -0.366 25098 272 1 1 . 1 1 88 88 ASN N N 88 119.348 119.348 118.366 0.982 25098 273 1 1 . 1 1 88 88 ASN HA H 88 5.125 5.125 4.956 0.169 25098 274 1 1 . 1 1 88 88 ASN CA C 88 51.796 51.796 51.683 0.113 25098 275 1 1 . 1 1 88 88 ASN CB C 88 39.015 39.015 40.292 -1.277 25098 276 1 1 . 1 1 88 88 ASN H H 88 8.230 8.230 8.241 -0.011 25098 277 1 1 . 1 1 89 89 LEU N N 89 122.766 122.766 120.363 2.403 25098 278 1 1 . 1 1 89 89 LEU HA H 89 4.440 4.440 4.764 -0.324 25098 279 1 1 . 1 1 89 89 LEU CA C 89 50.791 50.791 51.819 -1.028 25098 280 1 1 . 1 1 89 89 LEU CB C 89 42.662 42.662 42.964 -0.302 25098 281 1 1 . 1 1 89 89 LEU H H 89 8.356 8.356 8.689 -0.333 25098 282 1 1 . 1 1 90 90 PRO HA H 90 4.434 4.434 4.573 -0.139 25098 283 1 1 . 1 1 90 90 PRO CA C 90 61.669 61.669 62.120 -0.451 25098 284 1 1 . 1 1 91 91 MET N N 91 121.751 121.751 125.622 -3.871 25098 285 1 1 . 1 1 91 91 MET HA H 91 4.144 4.144 4.144 0.000 25098 286 1 1 . 1 1 91 91 MET CA C 91 55.460 55.460 55.386 0.074 25098 287 1 1 . 1 1 91 91 MET CB C 91 30.951 30.951 32.222 -1.272 25098 288 1 1 . 1 1 91 91 MET H H 91 8.709 8.709 8.602 0.107 25098 289 1 1 . 1 1 92 92 GLY N N 92 112.856 112.856 113.808 -0.952 25098 290 1 1 . 1 1 92 92 GLY CA C 92 46.265 46.265 44.971 1.294 25098 291 1 1 . 1 1 92 92 GLY H H 92 8.325 8.325 8.584 -0.259 25098 292 1 1 . 1 1 93 93 GLU N N 93 116.930 116.930 118.810 -1.880 25098 293 1 1 . 1 1 93 93 GLU HA H 93 4.747 4.747 4.715 0.032 25098 294 1 1 . 1 1 93 93 GLU CA C 93 54.151 54.151 54.509 -0.358 25098 295 1 1 . 1 1 93 93 GLU CB C 93 33.784 33.784 33.262 0.522 25098 296 1 1 . 1 1 93 93 GLU H H 93 7.331 7.331 7.866 -0.535 25098 297 1 1 . 1 1 94 94 GLU N N 94 119.837 119.837 118.957 0.880 25098 298 1 1 . 1 1 94 94 GLU HA H 94 5.103 5.103 5.271 -0.168 25098 299 1 1 . 1 1 94 94 GLU CA C 94 55.340 55.340 54.925 0.415 25098 300 1 1 . 1 1 94 94 GLU CB C 94 31.196 31.196 31.684 -0.488 25098 301 1 1 . 1 1 94 94 GLU H H 94 8.418 8.418 8.616 -0.198 25098 302 1 1 . 1 1 95 95 TYR N N 95 124.949 124.949 125.588 -0.639 25098 303 1 1 . 1 1 95 95 TYR HA H 95 4.637 4.637 4.705 -0.068 25098 304 1 1 . 1 1 95 95 TYR CA C 95 58.125 58.125 57.499 0.625 25098 305 1 1 . 1 1 95 95 TYR CB C 95 43.144 43.144 40.469 2.675 25098 306 1 1 . 1 1 95 95 TYR H H 95 9.059 9.059 9.096 -0.037 25098 307 1 1 . 1 1 96 96 VAL N N 96 128.075 128.075 127.024 1.051 25098 308 1 1 . 1 1 96 96 VAL HA H 96 4.440 4.440 4.887 -0.447 25098 309 1 1 . 1 1 96 96 VAL CA C 96 61.772 61.772 59.804 1.968 25098 310 1 1 . 1 1 96 96 VAL CB C 96 32.805 32.805 33.775 -0.970 25098 311 1 1 . 1 1 96 96 VAL H H 96 7.795 7.795 8.322 -0.527 25098 312 1 1 . 1 1 97 97 VAL N N 97 129.541 129.541 129.861 -0.320 25098 313 1 1 . 1 1 97 97 VAL HA H 97 3.917 3.917 4.253 -0.336 25098 314 1 1 . 1 1 97 97 VAL CA C 97 61.821 61.821 60.823 0.998 25098 315 1 1 . 1 1 97 97 VAL CB C 97 33.313 33.313 32.640 0.673 25098 316 1 1 . 1 1 97 97 VAL H H 97 9.110 9.110 8.935 0.175 25098 317 1 1 . 1 1 98 98 GLU N N 98 127.575 127.575 129.072 -1.497 25098 318 1 1 . 1 1 98 98 GLU HA H 98 5.237 5.237 4.736 0.501 25098 319 1 1 . 1 1 98 98 GLU CA C 98 54.576 54.576 56.340 -1.764 25098 320 1 1 . 1 1 98 98 GLU CB C 98 30.995 30.995 30.232 0.763 25098 321 1 1 . 1 1 98 98 GLU H H 98 8.166 8.166 8.717 -0.551 25098 322 1 1 . 1 1 99 99 ILE N N 99 118.374 118.374 120.856 -2.482 25098 323 1 1 . 1 1 99 99 ILE HA H 99 4.386 4.386 4.579 -0.193 25098 324 1 1 . 1 1 99 99 ILE CA C 99 59.143 59.143 58.924 0.219 25098 325 1 1 . 1 1 99 99 ILE CB C 99 43.580 43.580 42.100 1.480 25098 326 1 1 . 1 1 99 99 ILE H H 99 7.881 7.881 8.891 -1.010 25098 327 1 1 . 1 1 100 100 THR N N 100 119.619 119.619 116.932 2.687 25098 328 1 1 . 1 1 100 100 THR HA H 100 4.717 4.717 4.964 -0.247 25098 329 1 1 . 1 1 100 100 THR CA C 100 58.983 58.983 59.260 -0.277 25098 330 1 1 . 1 1 100 100 THR CB C 100 69.121 69.121 69.612 -0.491 25098 331 1 1 . 1 1 100 100 THR H H 100 8.885 8.885 8.454 0.431 25098 332 1 1 . 1 1 101 101 PRO HA H 101 4.620 4.620 4.877 -0.257 25098 333 1 1 . 1 1 101 101 PRO CA C 101 62.096 62.096 63.063 -0.967 25098 334 1 1 . 1 1 101 101 PRO CB C 101 32.296 32.296 32.432 -0.136 25098 335 1 1 . 1 1 102 102 GLU N N 102 124.589 124.589 124.538 0.051 25098 336 1 1 . 1 1 102 102 GLU HA H 102 4.379 4.379 4.348 0.031 25098 337 1 1 . 1 1 102 102 GLU CA C 102 56.649 56.649 57.318 -0.669 25098 338 1 1 . 1 1 102 102 GLU CB C 102 30.740 30.740 30.551 0.189 25098 339 1 1 . 1 1 102 102 GLU H H 102 8.574 8.574 8.379 0.195 25098 340 1 1 . 1 1 103 103 GLN N N 103 118.304 118.304 117.226 1.078 25098 341 1 1 . 1 1 103 103 GLN HA H 103 4.662 4.662 4.562 0.100 25098 342 1 1 . 1 1 103 103 GLN CA C 103 53.956 53.956 54.744 -0.788 25098 343 1 1 . 1 1 103 103 GLN CB C 103 31.762 31.762 32.093 -0.331 25098 344 1 1 . 1 1 103 103 GLN H H 103 8.518 8.518 7.753 0.765 25098 345 1 1 . 1 1 104 104 ALA N N 104 124.603 124.603 126.313 -1.710 25098 346 1 1 . 1 1 104 104 ALA HA H 104 4.195 4.195 4.387 -0.192 25098 347 1 1 . 1 1 104 104 ALA CA C 104 51.886 51.886 52.059 -0.172 25098 348 1 1 . 1 1 104 104 ALA CB C 104 19.377 19.377 19.151 0.226 25098 349 1 1 . 1 1 104 104 ALA H H 104 8.575 8.575 8.453 0.122 25098 350 1 1 . 1 1 105 105 GLY N N 105 108.486 108.486 111.332 -2.846 25098 351 1 1 . 1 1 105 105 GLY CA C 105 44.726 44.726 45.104 -0.378 25098 352 1 1 . 1 1 105 105 GLY H H 105 8.710 8.710 7.613 1.097 25098 353 1 1 . 1 1 106 106 GLU N N 106 118.462 118.462 120.621 -2.159 25098 354 1 1 . 1 1 106 106 GLU HA H 106 5.098 5.098 4.872 0.226 25098 355 1 1 . 1 1 106 106 GLU CA C 106 54.382 54.382 55.865 -1.483 25098 356 1 1 . 1 1 106 106 GLU CB C 106 31.878 31.878 30.780 1.098 25098 357 1 1 . 1 1 106 106 GLU H H 106 7.620 7.620 8.293 -0.673 25098 358 1 1 . 1 1 107 107 PHE N N 107 123.388 123.388 124.939 -1.551 25098 359 1 1 . 1 1 107 107 PHE HA H 107 4.999 4.999 5.220 -0.221 25098 360 1 1 . 1 1 107 107 PHE CA C 107 56.623 56.623 55.790 0.833 25098 361 1 1 . 1 1 107 107 PHE CB C 107 43.035 43.035 42.127 0.908 25098 362 1 1 . 1 1 107 107 PHE H H 107 9.381 9.381 9.261 0.120 25098 363 1 1 . 1 1 108 108 SER N N 108 117.621 117.621 114.249 3.372 25098 364 1 1 . 1 1 108 108 SER HA H 108 5.137 5.137 5.051 0.086 25098 365 1 1 . 1 1 108 108 SER CA C 108 58.465 58.465 57.513 0.952 25098 366 1 1 . 1 1 108 108 SER CB C 108 65.864 65.864 66.338 -0.474 25098 367 1 1 . 1 1 108 108 SER H H 108 8.846 8.846 9.140 -0.294 25098 368 1 1 . 1 1 109 109 PHE N N 109 116.119 116.119 114.350 1.769 25098 369 1 1 . 1 1 109 109 PHE HA H 109 5.154 5.154 4.787 0.367 25098 370 1 1 . 1 1 109 109 PHE CA C 109 55.800 55.800 56.419 -0.619 25098 371 1 1 . 1 1 109 109 PHE CB C 109 39.858 39.858 41.062 -1.204 25098 372 1 1 . 1 1 109 109 PHE H H 109 7.646 7.646 8.163 -0.517 25098 373 1 1 . 1 1 110 110 ALA N N 110 121.615 121.615 121.598 0.017 25098 374 1 1 . 1 1 110 110 ALA HA H 110 5.258 5.258 4.842 0.416 25098 375 1 1 . 1 1 110 110 ALA CA C 110 50.940 50.940 51.495 -0.555 25098 376 1 1 . 1 1 110 110 ALA CB C 110 24.724 24.724 22.619 2.105 25098 377 1 1 . 1 1 110 110 ALA H H 110 8.826 8.826 8.181 0.645 25098 378 1 1 . 1 1 111 111 CYS N N 111 114.162 114.162 119.488 -5.326 25098 379 1 1 . 1 1 111 111 CYS HA H 111 5.372 5.372 5.034 0.338 25098 380 1 1 . 1 1 111 111 CYS CA C 111 55.651 55.651 58.235 -2.584 25098 381 1 1 . 1 1 111 111 CYS CB C 111 33.551 33.551 28.477 5.074 25098 382 1 1 . 1 1 111 111 CYS H H 111 7.820 7.820 8.702 -0.882 25098 383 1 1 . 1 1 112 112 GLY N N 112 108.348 108.348 115.552 -7.204 25098 384 1 1 . 1 1 112 112 GLY H H 112 8.277 8.277 8.510 -0.233 25098 385 1 1 . 1 1 117 117 HIS N N 117 117.324 117.324 120.035 -2.711 25098 386 1 1 . 1 1 117 117 HIS HA H 117 4.540 4.540 4.768 -0.228 25098 387 1 1 . 1 1 117 117 HIS CA C 117 56.897 56.897 56.131 0.766 25098 388 1 1 . 1 1 117 117 HIS CB C 117 29.675 29.675 31.772 -2.097 25098 389 1 1 . 1 1 117 117 HIS H H 117 8.670 8.670 8.393 0.277 25098 390 1 1 . 1 1 118 118 GLY N N 118 109.716 109.716 110.840 -1.124 25098 391 1 1 . 1 1 118 118 GLY CA C 118 43.143 43.143 44.227 -1.084 25098 392 1 1 . 1 1 118 118 GLY H H 118 8.350 8.350 8.067 0.283 25098 393 1 1 . 1 1 119 119 LYS N N 119 120.631 120.631 125.431 -4.800 25098 394 1 1 . 1 1 119 119 LYS HA H 119 4.949 4.949 5.012 -0.063 25098 395 1 1 . 1 1 119 119 LYS CA C 119 55.192 55.192 54.244 0.948 25098 396 1 1 . 1 1 119 119 LYS CB C 119 36.931 36.931 37.164 -0.234 25098 397 1 1 . 1 1 119 119 LYS H H 119 8.561 8.561 9.004 -0.443 25098 398 1 1 . 1 1 120 120 MET N N 120 123.525 123.525 123.207 0.318 25098 399 1 1 . 1 1 120 120 MET HA H 120 5.565 5.565 5.342 0.223 25098 400 1 1 . 1 1 120 120 MET CA C 120 53.142 53.142 54.637 -1.495 25098 401 1 1 . 1 1 120 120 MET CB C 120 37.448 37.448 37.584 -0.136 25098 402 1 1 . 1 1 120 120 MET H H 120 9.329 9.329 9.215 0.114 25098 403 1 1 . 1 1 121 121 ILE N N 121 127.707 127.707 126.297 1.410 25098 404 1 1 . 1 1 121 121 ILE HA H 121 4.890 4.890 4.762 0.128 25098 405 1 1 . 1 1 121 121 ILE CA C 121 60.048 60.048 60.190 -0.142 25098 406 1 1 . 1 1 121 121 ILE CB C 121 39.806 39.806 40.100 -0.294 25098 407 1 1 . 1 1 121 121 ILE H H 121 9.471 9.471 9.285 0.186 25098 408 1 1 . 1 1 122 122 VAL N N 122 127.738 127.738 127.732 0.006 25098 409 1 1 . 1 1 122 122 VAL HA H 122 4.994 4.994 4.813 0.181 25098 410 1 1 . 1 1 122 122 VAL CA C 122 60.618 60.618 61.179 -0.561 25098 411 1 1 . 1 1 122 122 VAL CB C 122 33.297 33.297 32.678 0.619 25098 412 1 1 . 1 1 122 122 VAL H H 122 9.350 9.350 8.517 0.833 25098 413 1 2 . 1 1 28 28 MET N N 28 119.966 119.966 123.196 -3.230 25098 414 1 2 . 1 1 28 28 MET H H 28 8.438 8.438 8.386 0.052 25098 415 1 2 . 1 1 29 29 GLY N N 29 109.326 109.326 109.590 -0.264 25098 416 1 2 . 1 1 29 29 GLY CA C 29 44.803 44.803 44.432 0.371 25098 417 1 2 . 1 1 29 29 GLY H H 29 8.343 8.343 7.875 0.468 25098 418 1 2 . 1 1 30 30 GLN N N 30 121.171 121.171 120.469 0.702 25098 419 1 2 . 1 1 30 30 GLN HA H 30 4.548 4.548 4.569 -0.021 25098 420 1 2 . 1 1 30 30 GLN CA C 30 54.981 54.981 55.108 -0.127 25098 421 1 2 . 1 1 30 30 GLN CB C 30 30.824 30.824 32.939 -2.115 25098 422 1 2 . 1 1 30 30 GLN H H 30 8.174 8.174 8.700 -0.526 25098 423 1 2 . 1 1 31 31 LYS N N 31 125.160 125.160 126.331 -1.171 25098 424 1 2 . 1 1 31 31 LYS HA H 31 4.829 4.829 4.330 0.499 25098 425 1 2 . 1 1 31 31 LYS CA C 31 55.952 55.952 55.931 0.021 25098 426 1 2 . 1 1 31 31 LYS CB C 31 33.322 33.322 33.356 -0.034 25098 427 1 2 . 1 1 31 31 LYS H H 31 8.713 8.713 8.745 -0.032 25098 428 1 2 . 1 1 32 32 ALA N N 32 123.842 123.842 129.866 -6.024 25098 429 1 2 . 1 1 32 32 ALA HA H 32 4.125 4.125 4.250 -0.124 25098 430 1 2 . 1 1 32 32 ALA CA C 32 52.301 52.301 52.042 0.259 25098 431 1 2 . 1 1 32 32 ALA CB C 32 18.956 18.956 20.083 -1.127 25098 432 1 2 . 1 1 32 32 ALA H H 32 8.152 8.152 8.057 0.095 25098 433 1 2 . 1 1 33 33 GLN N N 33 121.807 121.807 120.611 1.196 25098 434 1 2 . 1 1 33 33 GLN HA H 33 4.380 4.380 4.338 0.042 25098 435 1 2 . 1 1 33 33 GLN CA C 33 55.299 55.299 55.248 0.051 25098 436 1 2 . 1 1 33 33 GLN CB C 33 29.835 29.835 29.651 0.184 25098 437 1 2 . 1 1 33 33 GLN H H 33 8.808 8.808 8.489 0.319 25098 438 1 2 . 1 1 34 34 GLN N N 34 124.320 124.320 123.950 0.370 25098 439 1 2 . 1 1 34 34 GLN HA H 34 4.212 4.212 4.364 -0.152 25098 440 1 2 . 1 1 34 34 GLN CA C 34 55.368 55.368 55.730 -0.362 25098 441 1 2 . 1 1 34 34 GLN CB C 34 27.615 27.615 29.119 -1.504 25098 442 1 2 . 1 1 34 34 GLN H H 34 9.025 9.025 8.493 0.532 25098 443 1 2 . 1 1 35 35 LYS N N 35 126.662 126.662 123.716 2.946 25098 444 1 2 . 1 1 35 35 LYS HA H 35 4.441 4.441 4.267 0.174 25098 445 1 2 . 1 1 35 35 LYS CA C 35 54.126 54.126 54.228 -0.102 25098 446 1 2 . 1 1 35 35 LYS CB C 35 31.475 31.475 32.577 -1.102 25098 447 1 2 . 1 1 35 35 LYS H H 35 8.479 8.479 8.551 -0.072 25098 448 1 2 . 1 1 36 36 ASN N N 36 118.026 118.026 118.592 -0.566 25098 449 1 2 . 1 1 36 36 ASN HA H 36 4.611 4.611 4.531 0.080 25098 450 1 2 . 1 1 36 36 ASN CA C 36 53.478 53.478 53.649 -0.171 25098 451 1 2 . 1 1 36 36 ASN CB C 36 36.839 36.839 37.315 -0.475 25098 452 1 2 . 1 1 36 36 ASN H H 36 8.062 8.062 8.188 -0.126 25098 453 1 2 . 1 1 37 37 GLY N N 37 111.719 111.719 108.659 3.060 25098 454 1 2 . 1 1 37 37 GLY CA C 37 45.230 45.230 45.544 -0.314 25098 455 1 2 . 1 1 37 37 GLY H H 37 8.285 8.285 8.204 0.081 25098 456 1 2 . 1 1 38 38 TYR N N 38 114.733 114.733 114.377 0.356 25098 457 1 2 . 1 1 38 38 TYR HA H 38 5.107 5.107 5.298 -0.191 25098 458 1 2 . 1 1 38 38 TYR CA C 38 55.398 55.398 55.229 0.169 25098 459 1 2 . 1 1 38 38 TYR CB C 38 39.246 39.246 40.319 -1.073 25098 460 1 2 . 1 1 38 38 TYR H H 38 7.158 7.158 7.200 -0.042 25098 461 1 2 . 1 1 39 39 GLN N N 39 117.964 117.964 117.778 0.186 25098 462 1 2 . 1 1 39 39 GLN HA H 39 5.472 5.472 5.109 0.363 25098 463 1 2 . 1 1 39 39 GLN CA C 39 52.396 52.396 53.881 -1.485 25098 464 1 2 . 1 1 39 39 GLN CB C 39 30.812 30.812 32.361 -1.549 25098 465 1 2 . 1 1 39 39 GLN H H 39 9.401 9.401 8.994 0.407 25098 466 1 2 . 1 1 40 40 GLU N N 40 123.527 123.527 121.121 2.406 25098 467 1 2 . 1 1 40 40 GLU HA H 40 5.809 5.809 5.594 0.215 25098 468 1 2 . 1 1 40 40 GLU CA C 40 54.574 54.574 54.881 -0.307 25098 469 1 2 . 1 1 40 40 GLU CB C 40 35.999 35.999 34.415 1.584 25098 470 1 2 . 1 1 40 40 GLU H H 40 9.027 9.027 8.901 0.126 25098 471 1 2 . 1 1 41 41 ILE N N 41 124.884 124.884 122.781 2.103 25098 472 1 2 . 1 1 41 41 ILE HA H 41 4.686 4.686 4.540 0.146 25098 473 1 2 . 1 1 41 41 ILE CA C 41 59.126 59.126 60.361 -1.235 25098 474 1 2 . 1 1 41 41 ILE CB C 41 42.658 42.658 42.102 0.556 25098 475 1 2 . 1 1 41 41 ILE H H 41 8.503 8.503 8.244 0.259 25098 476 1 2 . 1 1 42 42 ARG N N 42 127.316 127.316 129.186 -1.870 25098 477 1 2 . 1 1 42 42 ARG HA H 42 5.136 5.136 4.557 0.579 25098 478 1 2 . 1 1 42 42 ARG CA C 42 54.461 54.461 55.866 -1.405 25098 479 1 2 . 1 1 42 42 ARG CB C 42 32.141 32.141 30.327 1.814 25098 480 1 2 . 1 1 42 42 ARG H H 42 7.942 7.942 8.684 -0.742 25098 481 1 2 . 1 1 43 43 VAL N N 43 126.060 126.060 126.972 -0.912 25098 482 1 2 . 1 1 43 43 VAL HA H 43 4.357 4.357 4.284 0.073 25098 483 1 2 . 1 1 43 43 VAL CA C 43 61.020 61.020 61.713 -0.693 25098 484 1 2 . 1 1 43 43 VAL CB C 43 34.375 34.375 32.590 1.785 25098 485 1 2 . 1 1 43 43 VAL H H 43 9.158 9.158 8.954 0.204 25098 486 1 2 . 1 1 44 44 GLU N N 44 127.592 127.592 129.620 -2.028 25098 487 1 2 . 1 1 44 44 GLU HA H 44 4.782 4.782 4.320 0.462 25098 488 1 2 . 1 1 44 44 GLU CA C 44 55.944 55.944 56.721 -0.777 25098 489 1 2 . 1 1 44 44 GLU CB C 44 31.779 31.779 30.183 1.596 25098 490 1 2 . 1 1 44 44 GLU H H 44 9.086 9.086 8.934 0.152 25098 491 1 2 . 1 1 45 45 VAL N N 45 126.323 126.323 128.367 -2.044 25098 492 1 2 . 1 1 45 45 VAL HA H 45 4.910 4.910 4.769 0.141 25098 493 1 2 . 1 1 45 45 VAL CA C 45 61.122 61.122 62.101 -0.979 25098 494 1 2 . 1 1 45 45 VAL CB C 45 31.501 31.501 32.296 -0.795 25098 495 1 2 . 1 1 45 45 VAL H H 45 8.617 8.617 8.963 -0.346 25098 496 1 2 . 1 1 46 46 MET N N 46 127.658 127.658 124.425 3.233 25098 497 1 2 . 1 1 46 46 MET HA H 46 4.755 4.755 4.817 -0.062 25098 498 1 2 . 1 1 46 46 MET CA C 46 55.999 55.999 54.376 1.623 25098 499 1 2 . 1 1 46 46 MET CB C 46 32.530 32.530 33.252 -0.723 25098 500 1 2 . 1 1 46 46 MET H H 46 8.319 8.319 7.792 0.527 25098 501 1 2 . 1 1 47 47 GLY N N 47 119.231 119.231 107.541 11.690 25098 502 1 2 . 1 1 47 47 GLY CA C 47 46.863 46.863 45.271 1.592 25098 503 1 2 . 1 1 47 47 GLY H H 47 10.065 10.065 8.673 1.392 25098 504 1 2 . 1 1 48 48 GLY N N 48 102.924 102.924 106.071 -3.147 25098 505 1 2 . 1 1 48 48 GLY CA C 48 43.176 43.176 44.461 -1.285 25098 506 1 2 . 1 1 48 48 GLY H H 48 6.639 6.639 7.667 -1.028 25098 507 1 2 . 1 1 49 49 TYR N N 49 120.115 120.115 118.087 2.028 25098 508 1 2 . 1 1 49 49 TYR HA H 49 5.267 5.267 5.071 0.196 25098 509 1 2 . 1 1 49 49 TYR CA C 49 56.991 56.991 57.646 -0.655 25098 510 1 2 . 1 1 49 49 TYR CB C 49 40.490 40.490 39.837 0.654 25098 511 1 2 . 1 1 49 49 TYR H H 49 8.364 8.364 8.300 0.064 25098 512 1 2 . 1 1 50 50 THR N N 50 117.545 117.545 118.882 -1.337 25098 513 1 2 . 1 1 50 50 THR HA H 50 4.742 4.742 4.367 0.375 25098 514 1 2 . 1 1 50 50 THR CA C 50 59.224 59.224 64.899 -5.675 25098 515 1 2 . 1 1 50 50 THR CB C 50 71.576 71.576 67.857 3.719 25098 516 1 2 . 1 1 50 50 THR H H 50 8.574 8.574 8.405 0.169 25098 517 1 2 . 1 1 51 51 PRO HA H 51 4.928 4.928 4.606 0.322 25098 518 1 2 . 1 1 51 51 PRO CA C 51 63.206 63.206 63.066 0.140 25098 519 1 2 . 1 1 51 51 PRO CB C 51 34.946 34.946 31.204 3.742 25098 520 1 2 . 1 1 52 52 GLU N N 52 114.661 114.661 121.896 -7.235 25098 521 1 2 . 1 1 52 52 GLU HA H 52 4.468 4.468 3.951 0.517 25098 522 1 2 . 1 1 52 52 GLU CA C 52 55.828 55.828 59.051 -3.223 25098 523 1 2 . 1 1 52 52 GLU CB C 52 30.239 30.239 29.766 0.473 25098 524 1 2 . 1 1 52 52 GLU H H 52 8.351 8.351 8.439 -0.088 25098 525 1 2 . 1 1 53 53 LEU N N 53 123.273 123.273 116.328 6.945 25098 526 1 2 . 1 1 53 53 LEU HA H 53 5.504 5.504 5.417 0.087 25098 527 1 2 . 1 1 53 53 LEU CA C 53 54.005 54.005 52.260 1.745 25098 528 1 2 . 1 1 53 53 LEU CB C 53 44.276 44.276 44.126 0.150 25098 529 1 2 . 1 1 53 53 LEU H H 53 7.476 7.476 7.295 0.181 25098 530 1 2 . 1 1 54 54 ILE N N 54 121.159 121.159 120.033 1.126 25098 531 1 2 . 1 1 54 54 ILE HA H 54 5.238 5.238 5.389 -0.151 25098 532 1 2 . 1 1 54 54 ILE CA C 54 59.006 59.006 59.009 -0.003 25098 533 1 2 . 1 1 54 54 ILE CB C 54 41.979 41.979 39.238 2.741 25098 534 1 2 . 1 1 54 54 ILE H H 54 8.732 8.732 9.253 -0.521 25098 535 1 2 . 1 1 55 55 VAL N N 55 123.295 123.295 126.809 -3.514 25098 536 1 2 . 1 1 55 55 VAL HA H 55 5.138 5.138 4.750 0.388 25098 537 1 2 . 1 1 55 55 VAL CA C 55 61.216 61.216 62.371 -1.155 25098 538 1 2 . 1 1 55 55 VAL CB C 55 33.376 33.376 32.520 0.856 25098 539 1 2 . 1 1 55 55 VAL H H 55 8.456 8.456 8.599 -0.143 25098 540 1 2 . 1 1 56 56 LEU N N 56 129.681 129.681 127.954 1.727 25098 541 1 2 . 1 1 56 56 LEU HA H 56 4.637 4.637 4.841 -0.204 25098 542 1 2 . 1 1 56 56 LEU CA C 56 53.044 53.044 53.156 -0.112 25098 543 1 2 . 1 1 56 56 LEU CB C 56 45.712 45.712 46.355 -0.643 25098 544 1 2 . 1 1 56 56 LEU H H 56 9.646 9.646 9.128 0.518 25098 545 1 2 . 1 1 57 57 LYS N N 57 121.874 121.874 119.222 2.652 25098 546 1 2 . 1 1 57 57 LYS HA H 57 4.815 4.815 4.701 0.114 25098 547 1 2 . 1 1 57 57 LYS CA C 57 55.095 55.095 55.469 -0.374 25098 548 1 2 . 1 1 57 57 LYS CB C 57 33.701 33.701 34.340 -0.639 25098 549 1 2 . 1 1 57 57 LYS H H 57 9.619 9.619 8.397 1.222 25098 550 1 2 . 1 1 58 58 LYS N N 58 124.865 124.865 121.626 3.239 25098 551 1 2 . 1 1 58 58 LYS HA H 58 3.714 3.714 4.583 -0.869 25098 552 1 2 . 1 1 58 58 LYS CA C 58 57.532 57.532 55.789 1.742 25098 553 1 2 . 1 1 58 58 LYS CB C 58 33.246 33.246 33.758 -0.512 25098 554 1 2 . 1 1 58 58 LYS H H 58 8.793 8.793 7.938 0.855 25098 555 1 2 . 1 1 59 59 SER N N 59 113.482 113.482 117.907 -4.425 25098 556 1 2 . 1 1 59 59 SER HA H 59 4.084 4.084 4.121 -0.037 25098 557 1 2 . 1 1 59 59 SER CA C 59 61.005 61.005 59.809 1.196 25098 558 1 2 . 1 1 59 59 SER CB C 59 60.917 60.917 62.727 -1.810 25098 559 1 2 . 1 1 59 59 SER H H 59 8.946 8.946 9.091 -0.145 25098 560 1 2 . 1 1 60 60 VAL N N 60 123.081 123.081 121.798 1.283 25098 561 1 2 . 1 1 60 60 VAL HA H 60 4.448 4.448 4.595 -0.147 25098 562 1 2 . 1 1 60 60 VAL CA C 60 59.101 59.101 58.249 0.852 25098 563 1 2 . 1 1 60 60 VAL CB C 60 33.818 33.818 34.963 -1.145 25098 564 1 2 . 1 1 60 60 VAL H H 60 6.974 6.974 7.521 -0.547 25098 565 1 2 . 1 1 61 61 PRO HA H 61 4.405 4.405 4.623 -0.218 25098 566 1 2 . 1 1 61 61 PRO CA C 61 64.752 64.752 62.891 1.861 25098 567 1 2 . 1 1 61 61 PRO CB C 61 32.273 32.273 31.392 0.881 25098 568 1 2 . 1 1 62 62 ALA N N 62 124.881 124.881 126.623 -1.742 25098 569 1 2 . 1 1 62 62 ALA HA H 62 5.452 5.452 5.294 0.158 25098 570 1 2 . 1 1 62 62 ALA CA C 62 49.746 49.746 50.291 -0.545 25098 571 1 2 . 1 1 62 62 ALA CB C 62 22.483 22.483 22.802 -0.319 25098 572 1 2 . 1 1 62 62 ALA H H 62 9.244 9.244 9.196 0.048 25098 573 1 2 . 1 1 63 63 ARG N N 63 122.869 122.869 122.307 0.562 25098 574 1 2 . 1 1 63 63 ARG HA H 63 4.498 4.498 5.482 -0.984 25098 575 1 2 . 1 1 63 63 ARG CA C 63 55.022 55.022 53.573 1.449 25098 576 1 2 . 1 1 63 63 ARG CB C 63 31.637 31.637 32.879 -1.242 25098 577 1 2 . 1 1 63 63 ARG H H 63 8.858 8.858 9.043 -0.185 25098 578 1 2 . 1 1 64 64 ILE N N 64 125.797 125.797 125.446 0.351 25098 579 1 2 . 1 1 64 64 ILE HA H 64 4.367 4.367 4.200 0.167 25098 580 1 2 . 1 1 64 64 ILE CA C 64 60.028 60.028 58.708 1.320 25098 581 1 2 . 1 1 64 64 ILE CB C 64 37.499 37.499 37.170 0.329 25098 582 1 2 . 1 1 64 64 ILE H H 64 9.033 9.033 8.910 0.123 25098 583 1 2 . 1 1 65 65 VAL N N 65 127.998 127.998 128.377 -0.379 25098 584 1 2 . 1 1 65 65 VAL HA H 65 4.122 4.122 4.268 -0.146 25098 585 1 2 . 1 1 65 65 VAL CA C 65 61.697 61.697 60.970 0.727 25098 586 1 2 . 1 1 65 65 VAL CB C 65 32.480 32.480 30.379 2.101 25098 587 1 2 . 1 1 65 65 VAL H H 65 8.800 8.800 8.868 -0.068 25098 588 1 2 . 1 1 66 66 PHE N N 66 126.431 126.431 128.095 -1.664 25098 589 1 2 . 1 1 66 66 PHE HA H 66 5.190 5.190 5.116 0.074 25098 590 1 2 . 1 1 66 66 PHE CA C 66 58.012 58.012 57.337 0.675 25098 591 1 2 . 1 1 66 66 PHE CB C 66 41.731 41.731 40.337 1.394 25098 592 1 2 . 1 1 66 66 PHE H H 66 9.536 9.536 9.506 0.030 25098 593 1 2 . 1 1 67 67 ASP N N 67 123.469 123.469 125.418 -1.949 25098 594 1 2 . 1 1 67 67 ASP HA H 67 4.986 4.986 4.980 0.006 25098 595 1 2 . 1 1 67 67 ASP CA C 67 52.158 52.158 53.285 -1.127 25098 596 1 2 . 1 1 67 67 ASP CB C 67 42.083 42.083 42.273 -0.190 25098 597 1 2 . 1 1 67 67 ASP H H 67 8.806 8.806 9.037 -0.231 25098 598 1 2 . 1 1 68 68 ARG N N 68 124.864 124.864 128.904 -4.040 25098 599 1 2 . 1 1 68 68 ARG HA H 68 4.760 4.760 4.329 0.431 25098 600 1 2 . 1 1 68 68 ARG CA C 68 58.018 58.018 56.861 1.157 25098 601 1 2 . 1 1 68 68 ARG CB C 68 30.605 30.605 29.750 0.855 25098 602 1 2 . 1 1 68 68 ARG H H 68 8.598 8.598 8.140 0.458 25098 603 1 2 . 1 1 69 69 LYS N N 69 126.910 126.910 125.360 1.550 25098 604 1 2 . 1 1 69 69 LYS HA H 69 4.662 4.662 4.358 0.304 25098 605 1 2 . 1 1 69 69 LYS CA C 69 55.222 55.222 57.487 -2.265 25098 606 1 2 . 1 1 69 69 LYS CB C 69 34.788 34.788 33.194 1.594 25098 607 1 2 . 1 1 69 69 LYS H H 69 8.348 8.348 8.479 -0.132 25098 608 1 2 . 1 1 70 70 ASP N N 70 119.420 119.420 119.599 -0.179 25098 609 1 2 . 1 1 70 70 ASP HA H 70 5.085 5.085 4.920 0.165 25098 610 1 2 . 1 1 70 70 ASP CA C 70 49.872 49.872 51.114 -1.242 25098 611 1 2 . 1 1 70 70 ASP CB C 70 45.194 45.194 42.453 2.741 25098 612 1 2 . 1 1 70 70 ASP H H 70 6.675 6.675 7.861 -1.186 25098 613 1 2 . 1 1 71 71 PRO HA H 71 4.589 4.589 4.529 0.060 25098 614 1 2 . 1 1 71 71 PRO CA C 71 63.781 63.781 62.395 1.385 25098 615 1 2 . 1 1 72 72 SER N N 72 121.578 121.578 118.060 3.518 25098 616 1 2 . 1 1 72 72 SER HA H 72 4.462 4.462 4.535 -0.073 25098 617 1 2 . 1 1 72 72 SER CA C 72 57.029 57.029 56.980 0.049 25098 618 1 2 . 1 1 72 72 SER CB C 72 63.781 63.781 63.962 -0.181 25098 619 1 2 . 1 1 72 72 SER H H 72 8.624 8.624 7.597 1.027 25098 620 1 2 . 1 1 73 73 PRO HA H 73 4.348 4.348 4.304 0.044 25098 621 1 2 . 1 1 73 73 PRO CA C 73 64.297 64.297 64.831 -0.534 25098 622 1 2 . 1 1 74 74 CYS N N 74 114.456 114.456 113.902 0.554 25098 623 1 2 . 1 1 74 74 CYS HA H 74 4.320 4.320 4.401 -0.081 25098 624 1 2 . 1 1 74 74 CYS CA C 74 60.192 60.192 58.711 1.481 25098 625 1 2 . 1 1 74 74 CYS CB C 74 27.035 27.035 25.627 1.408 25098 626 1 2 . 1 1 74 74 CYS H H 74 8.010 8.010 8.270 -0.260 25098 627 1 2 . 1 1 75 75 LEU N N 75 120.476 120.476 118.893 1.583 25098 628 1 2 . 1 1 75 75 LEU HA H 75 4.546 4.546 4.395 0.151 25098 629 1 2 . 1 1 75 75 LEU CA C 75 53.987 53.987 54.175 -0.188 25098 630 1 2 . 1 1 75 75 LEU CB C 75 41.083 41.083 41.810 -0.728 25098 631 1 2 . 1 1 75 75 LEU H H 75 7.629 7.629 7.485 0.144 25098 632 1 2 . 1 1 76 76 ASP N N 76 117.861 117.861 118.782 -0.921 25098 633 1 2 . 1 1 76 76 ASP HA H 76 4.466 4.466 4.387 0.079 25098 634 1 2 . 1 1 76 76 ASP CB C 76 41.608 41.608 42.241 -0.633 25098 635 1 2 . 1 1 76 76 ASP H H 76 7.465 7.465 7.439 0.026 25098 636 1 2 . 1 1 77 77 GLN HA H 77 5.368 5.368 4.877 0.491 25098 637 1 2 . 1 1 77 77 GLN CA C 77 53.830 53.830 54.420 -0.591 25098 638 1 2 . 1 1 77 77 GLN CB C 77 33.290 33.290 33.112 0.178 25098 639 1 2 . 1 1 78 78 ILE N N 78 123.134 123.134 120.310 2.824 25098 640 1 2 . 1 1 78 78 ILE HA H 78 4.893 4.893 4.453 0.440 25098 641 1 2 . 1 1 78 78 ILE CA C 78 56.862 56.862 60.183 -3.321 25098 642 1 2 . 1 1 78 78 ILE CB C 78 42.611 42.611 41.455 1.156 25098 643 1 2 . 1 1 78 78 ILE H H 78 9.043 9.043 8.953 0.090 25098 644 1 2 . 1 1 79 79 VAL N N 79 125.068 125.068 128.615 -3.547 25098 645 1 2 . 1 1 79 79 VAL HA H 79 4.911 4.911 5.428 -0.517 25098 646 1 2 . 1 1 79 79 VAL CB C 79 35.336 35.336 35.210 0.126 25098 647 1 2 . 1 1 79 79 VAL H H 79 8.911 8.911 8.174 0.737 25098 648 1 2 . 1 1 80 80 PHE N N 80 123.479 123.479 127.720 -4.241 25098 649 1 2 . 1 1 80 80 PHE HA H 80 5.574 5.574 5.229 0.345 25098 650 1 2 . 1 1 80 80 PHE CA C 80 53.684 53.684 55.694 -2.010 25098 651 1 2 . 1 1 80 80 PHE CB C 80 39.905 39.905 39.275 0.630 25098 652 1 2 . 1 1 80 80 PHE H H 80 8.628 8.628 9.509 -0.881 25098 653 1 2 . 1 1 81 81 PRO HA H 81 4.427 4.427 4.380 0.047 25098 654 1 2 . 1 1 81 81 PRO CA C 81 65.254 65.254 65.099 0.155 25098 655 1 2 . 1 1 81 81 PRO CB C 81 32.319 32.319 31.528 0.791 25098 656 1 2 . 1 1 82 82 ASP N N 82 114.119 114.119 116.731 -2.612 25098 657 1 2 . 1 1 82 82 ASP HA H 82 4.484 4.484 4.620 -0.136 25098 658 1 2 . 1 1 82 82 ASP CA C 82 55.569 55.569 55.300 0.269 25098 659 1 2 . 1 1 82 82 ASP CB C 82 41.625 41.625 41.513 0.112 25098 660 1 2 . 1 1 82 82 ASP H H 82 8.692 8.692 8.572 0.120 25098 661 1 2 . 1 1 83 83 PHE N N 83 113.198 113.198 118.334 -5.136 25098 662 1 2 . 1 1 83 83 PHE HA H 83 4.618 4.618 4.590 0.028 25098 663 1 2 . 1 1 83 83 PHE CA C 83 57.454 57.454 58.360 -0.906 25098 664 1 2 . 1 1 83 83 PHE CB C 83 41.445 41.445 40.689 0.756 25098 665 1 2 . 1 1 83 83 PHE H H 83 7.434 7.434 7.721 -0.287 25098 666 1 2 . 1 1 84 84 GLY N N 84 108.212 108.212 109.199 -0.987 25098 667 1 2 . 1 1 84 84 GLY CA C 84 46.552 46.552 45.605 0.947 25098 668 1 2 . 1 1 84 84 GLY H H 84 7.677 7.677 8.530 -0.853 25098 669 1 2 . 1 1 85 85 VAL N N 85 117.875 117.875 122.162 -4.287 25098 670 1 2 . 1 1 85 85 VAL HA H 85 4.270 4.270 4.141 0.129 25098 671 1 2 . 1 1 85 85 VAL CA C 85 61.664 61.664 61.533 0.131 25098 672 1 2 . 1 1 85 85 VAL CB C 85 34.286 34.286 33.378 0.908 25098 673 1 2 . 1 1 85 85 VAL H H 85 7.075 7.075 7.412 -0.337 25098 674 1 2 . 1 1 86 86 HIS N N 86 129.355 129.355 124.889 4.466 25098 675 1 2 . 1 1 86 86 HIS HA H 86 5.204 5.204 5.626 -0.422 25098 676 1 2 . 1 1 86 86 HIS CA C 86 55.513 55.513 53.257 2.256 25098 677 1 2 . 1 1 86 86 HIS CB C 86 31.131 31.131 30.267 0.864 25098 678 1 2 . 1 1 86 86 HIS H H 86 8.921 8.921 8.269 0.652 25098 679 1 2 . 1 1 87 87 ALA N N 87 126.717 126.717 125.325 1.392 25098 680 1 2 . 1 1 87 87 ALA HA H 87 4.749 4.749 4.611 0.138 25098 681 1 2 . 1 1 87 87 ALA CA C 87 50.886 50.886 50.640 0.246 25098 682 1 2 . 1 1 87 87 ALA CB C 87 22.088 22.088 22.314 -0.226 25098 683 1 2 . 1 1 87 87 ALA H H 87 8.799 8.799 9.354 -0.555 25098 684 1 2 . 1 1 88 88 ASN N N 88 119.348 119.348 117.821 1.527 25098 685 1 2 . 1 1 88 88 ASN HA H 88 5.125 5.125 5.014 0.111 25098 686 1 2 . 1 1 88 88 ASN CA C 88 51.796 51.796 51.913 -0.116 25098 687 1 2 . 1 1 88 88 ASN CB C 88 39.015 39.015 40.512 -1.497 25098 688 1 2 . 1 1 88 88 ASN H H 88 8.230 8.230 8.116 0.114 25098 689 1 2 . 1 1 89 89 LEU N N 89 122.766 122.766 125.254 -2.488 25098 690 1 2 . 1 1 89 89 LEU HA H 89 4.440 4.440 4.729 -0.289 25098 691 1 2 . 1 1 89 89 LEU CA C 89 50.791 50.791 51.590 -0.799 25098 692 1 2 . 1 1 89 89 LEU CB C 89 42.662 42.662 43.060 -0.398 25098 693 1 2 . 1 1 89 89 LEU H H 89 8.356 8.356 8.712 -0.356 25098 694 1 2 . 1 1 90 90 PRO HA H 90 4.434 4.434 4.543 -0.109 25098 695 1 2 . 1 1 90 90 PRO CA C 90 61.669 61.669 62.223 -0.554 25098 696 1 2 . 1 1 91 91 MET N N 91 121.751 121.751 125.242 -3.491 25098 697 1 2 . 1 1 91 91 MET HA H 91 4.144 4.144 4.093 0.051 25098 698 1 2 . 1 1 91 91 MET CA C 91 55.460 55.460 55.019 0.441 25098 699 1 2 . 1 1 91 91 MET CB C 91 30.951 30.951 32.289 -1.338 25098 700 1 2 . 1 1 91 91 MET H H 91 8.709 8.709 8.447 0.262 25098 701 1 2 . 1 1 92 92 GLY N N 92 112.856 112.856 114.220 -1.364 25098 702 1 2 . 1 1 92 92 GLY CA C 92 46.265 46.265 45.043 1.222 25098 703 1 2 . 1 1 92 92 GLY H H 92 8.325 8.325 8.773 -0.448 25098 704 1 2 . 1 1 93 93 GLU N N 93 116.930 116.930 118.753 -1.823 25098 705 1 2 . 1 1 93 93 GLU HA H 93 4.747 4.747 4.673 0.074 25098 706 1 2 . 1 1 93 93 GLU CA C 93 54.151 54.151 54.438 -0.287 25098 707 1 2 . 1 1 93 93 GLU CB C 93 33.784 33.784 33.115 0.668 25098 708 1 2 . 1 1 93 93 GLU H H 93 7.331 7.331 7.818 -0.487 25098 709 1 2 . 1 1 94 94 GLU N N 94 119.837 119.837 119.392 0.445 25098 710 1 2 . 1 1 94 94 GLU HA H 94 5.103 5.103 5.255 -0.152 25098 711 1 2 . 1 1 94 94 GLU CA C 94 55.340 55.340 55.382 -0.042 25098 712 1 2 . 1 1 94 94 GLU CB C 94 31.196 31.196 31.599 -0.403 25098 713 1 2 . 1 1 94 94 GLU H H 94 8.418 8.418 8.637 -0.219 25098 714 1 2 . 1 1 95 95 TYR N N 95 124.949 124.949 126.775 -1.826 25098 715 1 2 . 1 1 95 95 TYR HA H 95 4.637 4.637 4.761 -0.124 25098 716 1 2 . 1 1 95 95 TYR CA C 95 58.125 58.125 57.462 0.663 25098 717 1 2 . 1 1 95 95 TYR CB C 95 43.144 43.144 41.271 1.873 25098 718 1 2 . 1 1 95 95 TYR H H 95 9.059 9.059 9.219 -0.160 25098 719 1 2 . 1 1 96 96 VAL N N 96 128.075 128.075 127.147 0.928 25098 720 1 2 . 1 1 96 96 VAL HA H 96 4.440 4.440 4.932 -0.492 25098 721 1 2 . 1 1 96 96 VAL CA C 96 61.772 61.772 59.382 2.390 25098 722 1 2 . 1 1 96 96 VAL CB C 96 32.805 32.805 34.211 -1.406 25098 723 1 2 . 1 1 96 96 VAL H H 96 7.795 7.795 8.270 -0.475 25098 724 1 2 . 1 1 97 97 VAL N N 97 129.541 129.541 129.793 -0.252 25098 725 1 2 . 1 1 97 97 VAL HA H 97 3.917 3.917 4.249 -0.332 25098 726 1 2 . 1 1 97 97 VAL CA C 97 61.821 61.821 61.274 0.547 25098 727 1 2 . 1 1 97 97 VAL CB C 97 33.313 33.313 33.130 0.183 25098 728 1 2 . 1 1 97 97 VAL H H 97 9.110 9.110 8.930 0.180 25098 729 1 2 . 1 1 98 98 GLU N N 98 127.575 127.575 129.165 -1.590 25098 730 1 2 . 1 1 98 98 GLU HA H 98 5.237 5.237 4.753 0.484 25098 731 1 2 . 1 1 98 98 GLU CA C 98 54.576 54.576 56.277 -1.701 25098 732 1 2 . 1 1 98 98 GLU CB C 98 30.995 30.995 30.335 0.660 25098 733 1 2 . 1 1 98 98 GLU H H 98 8.166 8.166 8.735 -0.569 25098 734 1 2 . 1 1 99 99 ILE N N 99 118.374 118.374 122.387 -4.013 25098 735 1 2 . 1 1 99 99 ILE HA H 99 4.386 4.386 4.601 -0.215 25098 736 1 2 . 1 1 99 99 ILE CA C 99 59.143 59.143 58.953 0.190 25098 737 1 2 . 1 1 99 99 ILE CB C 99 43.580 43.580 42.039 1.541 25098 738 1 2 . 1 1 99 99 ILE H H 99 7.881 7.881 8.980 -1.099 25098 739 1 2 . 1 1 100 100 THR N N 100 119.619 119.619 117.873 1.746 25098 740 1 2 . 1 1 100 100 THR HA H 100 4.717 4.717 4.897 -0.180 25098 741 1 2 . 1 1 100 100 THR CA C 100 58.983 58.983 59.269 -0.286 25098 742 1 2 . 1 1 100 100 THR CB C 100 69.121 69.121 68.747 0.374 25098 743 1 2 . 1 1 100 100 THR H H 100 8.885 8.885 8.447 0.438 25098 744 1 2 . 1 1 101 101 PRO HA H 101 4.620 4.620 4.929 -0.309 25098 745 1 2 . 1 1 101 101 PRO CA C 101 62.096 62.096 63.064 -0.968 25098 746 1 2 . 1 1 101 101 PRO CB C 101 32.296 32.296 32.323 -0.027 25098 747 1 2 . 1 1 102 102 GLU N N 102 124.589 124.589 124.544 0.045 25098 748 1 2 . 1 1 102 102 GLU HA H 102 4.379 4.379 4.332 0.047 25098 749 1 2 . 1 1 102 102 GLU CA C 102 56.649 56.649 57.400 -0.751 25098 750 1 2 . 1 1 102 102 GLU CB C 102 30.740 30.740 30.618 0.122 25098 751 1 2 . 1 1 102 102 GLU H H 102 8.574 8.574 8.409 0.165 25098 752 1 2 . 1 1 103 103 GLN N N 103 118.304 118.304 117.344 0.960 25098 753 1 2 . 1 1 103 103 GLN HA H 103 4.662 4.662 4.603 0.059 25098 754 1 2 . 1 1 103 103 GLN CA C 103 53.956 53.956 54.623 -0.667 25098 755 1 2 . 1 1 103 103 GLN CB C 103 31.762 31.762 32.094 -0.332 25098 756 1 2 . 1 1 103 103 GLN H H 103 8.518 8.518 7.771 0.747 25098 757 1 2 . 1 1 104 104 ALA N N 104 124.603 124.603 126.010 -1.407 25098 758 1 2 . 1 1 104 104 ALA HA H 104 4.195 4.195 4.456 -0.261 25098 759 1 2 . 1 1 104 104 ALA CA C 104 51.886 51.886 51.882 0.004 25098 760 1 2 . 1 1 104 104 ALA CB C 104 19.377 19.377 19.401 -0.024 25098 761 1 2 . 1 1 104 104 ALA H H 104 8.575 8.575 8.444 0.131 25098 762 1 2 . 1 1 105 105 GLY N N 105 108.486 108.486 111.117 -2.631 25098 763 1 2 . 1 1 105 105 GLY CA C 105 44.726 44.726 45.095 -0.369 25098 764 1 2 . 1 1 105 105 GLY H H 105 8.710 8.710 7.712 0.998 25098 765 1 2 . 1 1 106 106 GLU N N 106 118.462 118.462 120.592 -2.130 25098 766 1 2 . 1 1 106 106 GLU HA H 106 5.098 5.098 4.719 0.379 25098 767 1 2 . 1 1 106 106 GLU CA C 106 54.382 54.382 55.818 -1.436 25098 768 1 2 . 1 1 106 106 GLU CB C 106 31.878 31.878 30.707 1.171 25098 769 1 2 . 1 1 106 106 GLU H H 106 7.620 7.620 8.268 -0.648 25098 770 1 2 . 1 1 107 107 PHE N N 107 123.388 123.388 125.277 -1.889 25098 771 1 2 . 1 1 107 107 PHE HA H 107 4.999 4.999 4.998 0.001 25098 772 1 2 . 1 1 107 107 PHE CA C 107 56.623 56.623 55.907 0.716 25098 773 1 2 . 1 1 107 107 PHE CB C 107 43.035 43.035 42.428 0.607 25098 774 1 2 . 1 1 107 107 PHE H H 107 9.381 9.381 9.226 0.155 25098 775 1 2 . 1 1 108 108 SER N N 108 117.621 117.621 114.927 2.694 25098 776 1 2 . 1 1 108 108 SER HA H 108 5.137 5.137 5.256 -0.119 25098 777 1 2 . 1 1 108 108 SER CA C 108 58.465 58.465 57.541 0.924 25098 778 1 2 . 1 1 108 108 SER CB C 108 65.864 65.864 66.542 -0.678 25098 779 1 2 . 1 1 108 108 SER H H 108 8.846 8.846 9.590 -0.744 25098 780 1 2 . 1 1 109 109 PHE N N 109 116.119 116.119 114.830 1.289 25098 781 1 2 . 1 1 109 109 PHE HA H 109 5.154 5.154 4.834 0.320 25098 782 1 2 . 1 1 109 109 PHE CA C 109 55.800 55.800 56.238 -0.438 25098 783 1 2 . 1 1 109 109 PHE CB C 109 39.858 39.858 41.123 -1.265 25098 784 1 2 . 1 1 109 109 PHE H H 109 7.646 7.646 8.448 -0.802 25098 785 1 2 . 1 1 110 110 ALA N N 110 121.615 121.615 123.454 -1.839 25098 786 1 2 . 1 1 110 110 ALA HA H 110 5.258 5.258 4.969 0.289 25098 787 1 2 . 1 1 110 110 ALA CA C 110 50.940 50.940 52.191 -1.251 25098 788 1 2 . 1 1 110 110 ALA CB C 110 24.724 24.724 22.244 2.479 25098 789 1 2 . 1 1 110 110 ALA H H 110 8.826 8.826 8.031 0.795 25098 790 1 2 . 1 1 111 111 CYS N N 111 114.162 114.162 118.741 -4.579 25098 791 1 2 . 1 1 111 111 CYS HA H 111 5.372 5.372 4.789 0.583 25098 792 1 2 . 1 1 111 111 CYS CA C 111 55.651 55.651 58.221 -2.570 25098 793 1 2 . 1 1 111 111 CYS CB C 111 33.551 33.551 29.621 3.930 25098 794 1 2 . 1 1 111 111 CYS H H 111 7.820 7.820 8.939 -1.119 25098 795 1 2 . 1 1 112 112 GLY N N 112 108.348 108.348 112.905 -4.557 25098 796 1 2 . 1 1 112 112 GLY H H 112 8.277 8.277 8.551 -0.274 25098 797 1 2 . 1 1 117 117 HIS N N 117 117.324 117.324 117.790 -0.466 25098 798 1 2 . 1 1 117 117 HIS HA H 117 4.540 4.540 4.986 -0.446 25098 799 1 2 . 1 1 117 117 HIS CA C 117 56.897 56.897 54.691 2.206 25098 800 1 2 . 1 1 117 117 HIS CB C 117 29.675 29.675 32.212 -2.538 25098 801 1 2 . 1 1 117 117 HIS H H 117 8.670 8.670 7.741 0.929 25098 802 1 2 . 1 1 118 118 GLY N N 118 109.716 109.716 106.829 2.887 25098 803 1 2 . 1 1 118 118 GLY CA C 118 43.143 43.143 43.559 -0.415 25098 804 1 2 . 1 1 118 118 GLY H H 118 8.350 8.350 8.395 -0.045 25098 805 1 2 . 1 1 119 119 LYS N N 119 120.631 120.631 122.550 -1.919 25098 806 1 2 . 1 1 119 119 LYS HA H 119 4.949 4.949 4.934 0.015 25098 807 1 2 . 1 1 119 119 LYS CA C 119 55.192 55.192 54.709 0.483 25098 808 1 2 . 1 1 119 119 LYS CB C 119 36.931 36.931 36.889 0.042 25098 809 1 2 . 1 1 119 119 LYS H H 119 8.561 8.561 8.931 -0.370 25098 810 1 2 . 1 1 120 120 MET N N 120 123.525 123.525 124.392 -0.867 25098 811 1 2 . 1 1 120 120 MET HA H 120 5.565 5.565 5.347 0.218 25098 812 1 2 . 1 1 120 120 MET CA C 120 53.142 53.142 54.807 -1.665 25098 813 1 2 . 1 1 120 120 MET CB C 120 37.448 37.448 36.904 0.544 25098 814 1 2 . 1 1 120 120 MET H H 120 9.329 9.329 9.279 0.050 25098 815 1 2 . 1 1 121 121 ILE N N 121 127.707 127.707 128.323 -0.616 25098 816 1 2 . 1 1 121 121 ILE HA H 121 4.890 4.890 4.720 0.170 25098 817 1 2 . 1 1 121 121 ILE CA C 121 60.048 60.048 60.343 -0.295 25098 818 1 2 . 1 1 121 121 ILE CB C 121 39.806 39.806 39.277 0.529 25098 819 1 2 . 1 1 121 121 ILE H H 121 9.471 9.471 9.267 0.204 25098 820 1 2 . 1 1 122 122 VAL N N 122 127.738 127.738 128.550 -0.812 25098 821 1 2 . 1 1 122 122 VAL HA H 122 4.994 4.994 4.774 0.220 25098 822 1 2 . 1 1 122 122 VAL CA C 122 60.618 60.618 60.578 0.041 25098 823 1 2 . 1 1 122 122 VAL CB C 122 33.297 33.297 31.390 1.907 25098 824 1 2 . 1 1 122 122 VAL H H 122 9.350 9.350 8.487 0.863 25098 825 1 3 . 1 1 28 28 MET N N 28 119.966 119.966 115.951 4.015 25098 826 1 3 . 1 1 28 28 MET H H 28 8.438 8.438 8.199 0.239 25098 827 1 3 . 1 1 29 29 GLY N N 29 109.326 109.326 107.391 1.935 25098 828 1 3 . 1 1 29 29 GLY CA C 29 44.803 44.803 44.387 0.416 25098 829 1 3 . 1 1 29 29 GLY H H 29 8.343 8.343 7.335 1.008 25098 830 1 3 . 1 1 30 30 GLN N N 30 121.171 121.171 120.466 0.705 25098 831 1 3 . 1 1 30 30 GLN HA H 30 4.548 4.548 4.500 0.048 25098 832 1 3 . 1 1 30 30 GLN CA C 30 54.981 54.981 54.541 0.440 25098 833 1 3 . 1 1 30 30 GLN CB C 30 30.824 30.824 31.917 -1.093 25098 834 1 3 . 1 1 30 30 GLN H H 30 8.174 8.174 8.744 -0.570 25098 835 1 3 . 1 1 31 31 LYS N N 31 125.160 125.160 126.787 -1.627 25098 836 1 3 . 1 1 31 31 LYS HA H 31 4.829 4.829 4.327 0.501 25098 837 1 3 . 1 1 31 31 LYS CA C 31 55.952 55.952 56.116 -0.164 25098 838 1 3 . 1 1 31 31 LYS CB C 31 33.322 33.322 33.319 0.003 25098 839 1 3 . 1 1 31 31 LYS H H 31 8.713 8.713 8.774 -0.061 25098 840 1 3 . 1 1 32 32 ALA N N 32 123.842 123.842 129.804 -5.962 25098 841 1 3 . 1 1 32 32 ALA HA H 32 4.125 4.125 4.263 -0.138 25098 842 1 3 . 1 1 32 32 ALA CA C 32 52.301 52.301 51.946 0.355 25098 843 1 3 . 1 1 32 32 ALA CB C 32 18.956 18.956 20.069 -1.113 25098 844 1 3 . 1 1 32 32 ALA H H 32 8.152 8.152 8.238 -0.086 25098 845 1 3 . 1 1 33 33 GLN N N 33 121.807 121.807 119.967 1.840 25098 846 1 3 . 1 1 33 33 GLN HA H 33 4.380 4.380 4.324 0.056 25098 847 1 3 . 1 1 33 33 GLN CA C 33 55.299 55.299 55.348 -0.049 25098 848 1 3 . 1 1 33 33 GLN CB C 33 29.835 29.835 29.677 0.158 25098 849 1 3 . 1 1 33 33 GLN H H 33 8.808 8.808 8.433 0.375 25098 850 1 3 . 1 1 34 34 GLN N N 34 124.320 124.320 123.699 0.621 25098 851 1 3 . 1 1 34 34 GLN HA H 34 4.212 4.212 4.377 -0.165 25098 852 1 3 . 1 1 34 34 GLN CA C 34 55.368 55.368 55.479 -0.111 25098 853 1 3 . 1 1 34 34 GLN CB C 34 27.615 27.615 29.445 -1.830 25098 854 1 3 . 1 1 34 34 GLN H H 34 9.025 9.025 8.493 0.532 25098 855 1 3 . 1 1 35 35 LYS N N 35 126.662 126.662 123.426 3.236 25098 856 1 3 . 1 1 35 35 LYS HA H 35 4.441 4.441 4.315 0.126 25098 857 1 3 . 1 1 35 35 LYS CA C 35 54.126 54.126 54.094 0.032 25098 858 1 3 . 1 1 35 35 LYS CB C 35 31.475 31.475 32.745 -1.270 25098 859 1 3 . 1 1 35 35 LYS H H 35 8.479 8.479 8.571 -0.092 25098 860 1 3 . 1 1 36 36 ASN N N 36 118.026 118.026 118.623 -0.597 25098 861 1 3 . 1 1 36 36 ASN HA H 36 4.611 4.611 4.526 0.085 25098 862 1 3 . 1 1 36 36 ASN CA C 36 53.478 53.478 53.661 -0.183 25098 863 1 3 . 1 1 36 36 ASN CB C 36 36.839 36.839 37.309 -0.470 25098 864 1 3 . 1 1 36 36 ASN H H 36 8.062 8.062 8.197 -0.135 25098 865 1 3 . 1 1 37 37 GLY N N 37 111.719 111.719 109.018 2.701 25098 866 1 3 . 1 1 37 37 GLY CA C 37 45.230 45.230 45.590 -0.360 25098 867 1 3 . 1 1 37 37 GLY H H 37 8.285 8.285 8.224 0.061 25098 868 1 3 . 1 1 38 38 TYR N N 38 114.733 114.733 114.305 0.428 25098 869 1 3 . 1 1 38 38 TYR HA H 38 5.107 5.107 5.286 -0.179 25098 870 1 3 . 1 1 38 38 TYR CA C 38 55.398 55.398 55.239 0.159 25098 871 1 3 . 1 1 38 38 TYR CB C 38 39.246 39.246 40.308 -1.062 25098 872 1 3 . 1 1 38 38 TYR H H 38 7.158 7.158 7.200 -0.042 25098 873 1 3 . 1 1 39 39 GLN N N 39 117.964 117.964 117.230 0.734 25098 874 1 3 . 1 1 39 39 GLN HA H 39 5.472 5.472 5.100 0.372 25098 875 1 3 . 1 1 39 39 GLN CA C 39 52.396 52.396 53.756 -1.360 25098 876 1 3 . 1 1 39 39 GLN CB C 39 30.812 30.812 32.543 -1.731 25098 877 1 3 . 1 1 39 39 GLN H H 39 9.401 9.401 8.932 0.469 25098 878 1 3 . 1 1 40 40 GLU N N 40 123.527 123.527 121.324 2.203 25098 879 1 3 . 1 1 40 40 GLU HA H 40 5.809 5.809 5.598 0.211 25098 880 1 3 . 1 1 40 40 GLU CA C 40 54.574 54.574 54.815 -0.241 25098 881 1 3 . 1 1 40 40 GLU CB C 40 35.999 35.999 34.430 1.569 25098 882 1 3 . 1 1 40 40 GLU H H 40 9.027 9.027 8.813 0.214 25098 883 1 3 . 1 1 41 41 ILE N N 41 124.884 124.884 122.794 2.090 25098 884 1 3 . 1 1 41 41 ILE HA H 41 4.686 4.686 4.519 0.167 25098 885 1 3 . 1 1 41 41 ILE CA C 41 59.126 59.126 60.286 -1.161 25098 886 1 3 . 1 1 41 41 ILE CB C 41 42.658 42.658 42.109 0.549 25098 887 1 3 . 1 1 41 41 ILE H H 41 8.503 8.503 8.274 0.229 25098 888 1 3 . 1 1 42 42 ARG N N 42 127.316 127.316 128.954 -1.638 25098 889 1 3 . 1 1 42 42 ARG HA H 42 5.136 5.136 4.583 0.553 25098 890 1 3 . 1 1 42 42 ARG CA C 42 54.461 54.461 55.895 -1.434 25098 891 1 3 . 1 1 42 42 ARG CB C 42 32.141 32.141 30.694 1.448 25098 892 1 3 . 1 1 42 42 ARG H H 42 7.942 7.942 8.618 -0.676 25098 893 1 3 . 1 1 43 43 VAL N N 43 126.060 126.060 127.174 -1.114 25098 894 1 3 . 1 1 43 43 VAL HA H 43 4.357 4.357 4.309 0.048 25098 895 1 3 . 1 1 43 43 VAL CA C 43 61.020 61.020 60.097 0.923 25098 896 1 3 . 1 1 43 43 VAL CB C 43 34.375 34.375 32.248 2.127 25098 897 1 3 . 1 1 43 43 VAL H H 43 9.158 9.158 8.973 0.185 25098 898 1 3 . 1 1 44 44 GLU N N 44 127.592 127.592 128.829 -1.237 25098 899 1 3 . 1 1 44 44 GLU HA H 44 4.782 4.782 4.331 0.451 25098 900 1 3 . 1 1 44 44 GLU CA C 44 55.944 55.944 56.710 -0.766 25098 901 1 3 . 1 1 44 44 GLU CB C 44 31.779 31.779 29.954 1.825 25098 902 1 3 . 1 1 44 44 GLU H H 44 9.086 9.086 8.887 0.199 25098 903 1 3 . 1 1 45 45 VAL N N 45 126.323 126.323 128.590 -2.267 25098 904 1 3 . 1 1 45 45 VAL HA H 45 4.910 4.910 4.654 0.256 25098 905 1 3 . 1 1 45 45 VAL CA C 45 61.122 61.122 61.971 -0.849 25098 906 1 3 . 1 1 45 45 VAL CB C 45 31.501 31.501 31.609 -0.108 25098 907 1 3 . 1 1 45 45 VAL H H 45 8.617 8.617 8.962 -0.345 25098 908 1 3 . 1 1 46 46 MET N N 46 127.658 127.658 124.570 3.088 25098 909 1 3 . 1 1 46 46 MET HA H 46 4.755 4.755 4.754 0.001 25098 910 1 3 . 1 1 46 46 MET CA C 46 55.999 55.999 54.449 1.550 25098 911 1 3 . 1 1 46 46 MET CB C 46 32.530 32.530 33.255 -0.725 25098 912 1 3 . 1 1 46 46 MET H H 46 8.319 8.319 7.962 0.357 25098 913 1 3 . 1 1 47 47 GLY N N 47 119.231 119.231 108.126 11.105 25098 914 1 3 . 1 1 47 47 GLY CA C 47 46.863 46.863 45.599 1.264 25098 915 1 3 . 1 1 47 47 GLY H H 47 10.065 10.065 8.680 1.385 25098 916 1 3 . 1 1 48 48 GLY N N 48 102.924 102.924 105.775 -2.851 25098 917 1 3 . 1 1 48 48 GLY CA C 48 43.176 43.176 44.566 -1.390 25098 918 1 3 . 1 1 48 48 GLY H H 48 6.639 6.639 7.572 -0.933 25098 919 1 3 . 1 1 49 49 TYR N N 49 120.115 120.115 119.372 0.743 25098 920 1 3 . 1 1 49 49 TYR HA H 49 5.267 5.267 5.144 0.123 25098 921 1 3 . 1 1 49 49 TYR CA C 49 56.991 56.991 57.149 -0.158 25098 922 1 3 . 1 1 49 49 TYR CB C 49 40.490 40.490 40.354 0.136 25098 923 1 3 . 1 1 49 49 TYR H H 49 8.364 8.364 8.334 0.030 25098 924 1 3 . 1 1 50 50 THR N N 50 117.545 117.545 118.646 -1.101 25098 925 1 3 . 1 1 50 50 THR HA H 50 4.742 4.742 4.431 0.311 25098 926 1 3 . 1 1 50 50 THR CA C 50 59.224 59.224 64.333 -5.109 25098 927 1 3 . 1 1 50 50 THR CB C 50 71.576 71.576 67.697 3.879 25098 928 1 3 . 1 1 50 50 THR H H 50 8.574 8.574 8.376 0.198 25098 929 1 3 . 1 1 51 51 PRO HA H 51 4.928 4.928 4.566 0.362 25098 930 1 3 . 1 1 51 51 PRO CA C 51 63.206 63.206 63.005 0.201 25098 931 1 3 . 1 1 51 51 PRO CB C 51 34.946 34.946 31.322 3.624 25098 932 1 3 . 1 1 52 52 GLU N N 52 114.661 114.661 122.311 -7.650 25098 933 1 3 . 1 1 52 52 GLU HA H 52 4.468 4.468 3.986 0.482 25098 934 1 3 . 1 1 52 52 GLU CA C 52 55.828 55.828 59.002 -3.174 25098 935 1 3 . 1 1 52 52 GLU CB C 52 30.239 30.239 29.802 0.437 25098 936 1 3 . 1 1 52 52 GLU H H 52 8.351 8.351 8.389 -0.038 25098 937 1 3 . 1 1 53 53 LEU N N 53 123.273 123.273 116.208 7.065 25098 938 1 3 . 1 1 53 53 LEU HA H 53 5.504 5.504 5.475 0.029 25098 939 1 3 . 1 1 53 53 LEU CA C 53 54.005 54.005 52.657 1.349 25098 940 1 3 . 1 1 53 53 LEU CB C 53 44.276 44.276 43.908 0.368 25098 941 1 3 . 1 1 53 53 LEU H H 53 7.476 7.476 7.482 -0.006 25098 942 1 3 . 1 1 54 54 ILE N N 54 121.159 121.159 120.321 0.838 25098 943 1 3 . 1 1 54 54 ILE HA H 54 5.238 5.238 5.302 -0.064 25098 944 1 3 . 1 1 54 54 ILE CA C 54 59.006 59.006 59.234 -0.228 25098 945 1 3 . 1 1 54 54 ILE CB C 54 41.979 41.979 39.312 2.667 25098 946 1 3 . 1 1 54 54 ILE H H 54 8.732 8.732 9.223 -0.491 25098 947 1 3 . 1 1 55 55 VAL N N 55 123.295 123.295 126.285 -2.990 25098 948 1 3 . 1 1 55 55 VAL HA H 55 5.138 5.138 4.987 0.151 25098 949 1 3 . 1 1 55 55 VAL CA C 55 61.216 61.216 60.828 0.388 25098 950 1 3 . 1 1 55 55 VAL CB C 55 33.376 33.376 31.720 1.656 25098 951 1 3 . 1 1 55 55 VAL H H 55 8.456 8.456 8.752 -0.296 25098 952 1 3 . 1 1 56 56 LEU N N 56 129.681 129.681 127.412 2.269 25098 953 1 3 . 1 1 56 56 LEU HA H 56 4.637 4.637 5.072 -0.435 25098 954 1 3 . 1 1 56 56 LEU CA C 56 53.044 53.044 53.422 -0.378 25098 955 1 3 . 1 1 56 56 LEU CB C 56 45.712 45.712 46.575 -0.863 25098 956 1 3 . 1 1 56 56 LEU H H 56 9.646 9.646 9.187 0.459 25098 957 1 3 . 1 1 57 57 LYS N N 57 121.874 121.874 119.708 2.166 25098 958 1 3 . 1 1 57 57 LYS HA H 57 4.815 4.815 4.498 0.317 25098 959 1 3 . 1 1 57 57 LYS CA C 57 55.095 55.095 55.895 -0.800 25098 960 1 3 . 1 1 57 57 LYS CB C 57 33.701 33.701 33.904 -0.202 25098 961 1 3 . 1 1 57 57 LYS H H 57 9.619 9.619 8.915 0.704 25098 962 1 3 . 1 1 58 58 LYS N N 58 124.865 124.865 120.914 3.951 25098 963 1 3 . 1 1 58 58 LYS HA H 58 3.714 3.714 4.552 -0.838 25098 964 1 3 . 1 1 58 58 LYS CA C 58 57.532 57.532 55.223 2.309 25098 965 1 3 . 1 1 58 58 LYS CB C 58 33.246 33.246 34.141 -0.895 25098 966 1 3 . 1 1 58 58 LYS H H 58 8.793 8.793 8.123 0.670 25098 967 1 3 . 1 1 59 59 SER N N 59 113.482 113.482 118.042 -4.560 25098 968 1 3 . 1 1 59 59 SER HA H 59 4.084 4.084 4.081 0.003 25098 969 1 3 . 1 1 59 59 SER CA C 59 61.005 61.005 59.883 1.122 25098 970 1 3 . 1 1 59 59 SER CB C 59 60.917 60.917 62.701 -1.784 25098 971 1 3 . 1 1 59 59 SER H H 59 8.946 8.946 9.125 -0.179 25098 972 1 3 . 1 1 60 60 VAL N N 60 123.081 123.081 121.673 1.408 25098 973 1 3 . 1 1 60 60 VAL HA H 60 4.448 4.448 4.606 -0.158 25098 974 1 3 . 1 1 60 60 VAL CA C 60 59.101 59.101 58.535 0.566 25098 975 1 3 . 1 1 60 60 VAL CB C 60 33.818 33.818 35.114 -1.296 25098 976 1 3 . 1 1 60 60 VAL H H 60 6.974 6.974 7.622 -0.648 25098 977 1 3 . 1 1 61 61 PRO HA H 61 4.405 4.405 4.597 -0.192 25098 978 1 3 . 1 1 61 61 PRO CA C 61 64.752 64.752 62.999 1.753 25098 979 1 3 . 1 1 61 61 PRO CB C 61 32.273 32.273 31.191 1.082 25098 980 1 3 . 1 1 62 62 ALA N N 62 124.881 124.881 126.457 -1.576 25098 981 1 3 . 1 1 62 62 ALA HA H 62 5.452 5.452 5.292 0.160 25098 982 1 3 . 1 1 62 62 ALA CA C 62 49.746 49.746 50.267 -0.520 25098 983 1 3 . 1 1 62 62 ALA CB C 62 22.483 22.483 22.788 -0.305 25098 984 1 3 . 1 1 62 62 ALA H H 62 9.244 9.244 9.144 0.100 25098 985 1 3 . 1 1 63 63 ARG N N 63 122.869 122.869 122.239 0.630 25098 986 1 3 . 1 1 63 63 ARG HA H 63 4.498 4.498 5.459 -0.961 25098 987 1 3 . 1 1 63 63 ARG CA C 63 55.022 55.022 53.557 1.465 25098 988 1 3 . 1 1 63 63 ARG CB C 63 31.637 31.637 32.926 -1.289 25098 989 1 3 . 1 1 63 63 ARG H H 63 8.858 8.858 9.057 -0.199 25098 990 1 3 . 1 1 64 64 ILE N N 64 125.797 125.797 125.205 0.592 25098 991 1 3 . 1 1 64 64 ILE HA H 64 4.367 4.367 4.340 0.027 25098 992 1 3 . 1 1 64 64 ILE CA C 64 60.028 60.028 58.654 1.374 25098 993 1 3 . 1 1 64 64 ILE CB C 64 37.499 37.499 37.442 0.057 25098 994 1 3 . 1 1 64 64 ILE H H 64 9.033 9.033 8.911 0.122 25098 995 1 3 . 1 1 65 65 VAL N N 65 127.998 127.998 128.003 -0.005 25098 996 1 3 . 1 1 65 65 VAL HA H 65 4.122 4.122 4.186 -0.064 25098 997 1 3 . 1 1 65 65 VAL CA C 65 61.697 61.697 62.124 -0.427 25098 998 1 3 . 1 1 65 65 VAL CB C 65 32.480 32.480 30.909 1.571 25098 999 1 3 . 1 1 65 65 VAL H H 65 8.800 8.800 8.916 -0.116 25098 1000 1 3 . 1 1 66 66 PHE N N 66 126.431 126.431 128.288 -1.857 25098 1001 1 3 . 1 1 66 66 PHE HA H 66 5.190 5.190 5.078 0.112 25098 1002 1 3 . 1 1 66 66 PHE CA C 66 58.012 58.012 56.933 1.079 25098 1003 1 3 . 1 1 66 66 PHE CB C 66 41.731 41.731 39.379 2.352 25098 1004 1 3 . 1 1 66 66 PHE H H 66 9.536 9.536 9.469 0.067 25098 1005 1 3 . 1 1 67 67 ASP N N 67 123.469 123.469 125.801 -2.332 25098 1006 1 3 . 1 1 67 67 ASP HA H 67 4.986 4.986 5.004 -0.018 25098 1007 1 3 . 1 1 67 67 ASP CA C 67 52.158 52.158 53.820 -1.662 25098 1008 1 3 . 1 1 67 67 ASP CB C 67 42.083 42.083 42.092 -0.009 25098 1009 1 3 . 1 1 67 67 ASP H H 67 8.806 8.806 8.649 0.157 25098 1010 1 3 . 1 1 68 68 ARG N N 68 124.864 124.864 128.556 -3.692 25098 1011 1 3 . 1 1 68 68 ARG HA H 68 4.760 4.760 4.375 0.385 25098 1012 1 3 . 1 1 68 68 ARG CA C 68 58.018 58.018 56.759 1.259 25098 1013 1 3 . 1 1 68 68 ARG CB C 68 30.605 30.605 30.018 0.587 25098 1014 1 3 . 1 1 68 68 ARG H H 68 8.598 8.598 8.583 0.015 25098 1015 1 3 . 1 1 69 69 LYS N N 69 126.910 126.910 124.829 2.081 25098 1016 1 3 . 1 1 69 69 LYS HA H 69 4.662 4.662 4.333 0.329 25098 1017 1 3 . 1 1 69 69 LYS CA C 69 55.222 55.222 57.528 -2.305 25098 1018 1 3 . 1 1 69 69 LYS CB C 69 34.788 34.788 33.438 1.350 25098 1019 1 3 . 1 1 69 69 LYS H H 69 8.348 8.348 8.655 -0.307 25098 1020 1 3 . 1 1 70 70 ASP N N 70 119.420 119.420 119.510 -0.090 25098 1021 1 3 . 1 1 70 70 ASP HA H 70 5.085 5.085 5.055 0.030 25098 1022 1 3 . 1 1 70 70 ASP CA C 70 49.872 49.872 51.709 -1.837 25098 1023 1 3 . 1 1 70 70 ASP CB C 70 45.194 45.194 42.907 2.287 25098 1024 1 3 . 1 1 70 70 ASP H H 70 6.675 6.675 7.694 -1.019 25098 1025 1 3 . 1 1 71 71 PRO HA H 71 4.589 4.589 4.510 0.079 25098 1026 1 3 . 1 1 71 71 PRO CA C 71 63.781 63.781 62.650 1.131 25098 1027 1 3 . 1 1 72 72 SER N N 72 121.578 121.578 118.515 3.063 25098 1028 1 3 . 1 1 72 72 SER HA H 72 4.462 4.462 4.493 -0.031 25098 1029 1 3 . 1 1 72 72 SER CA C 72 57.029 57.029 57.081 -0.052 25098 1030 1 3 . 1 1 72 72 SER CB C 72 63.781 63.781 63.019 0.762 25098 1031 1 3 . 1 1 72 72 SER H H 72 8.624 8.624 7.663 0.961 25098 1032 1 3 . 1 1 73 73 PRO HA H 73 4.348 4.348 4.347 0.001 25098 1033 1 3 . 1 1 73 73 PRO CA C 73 64.297 64.297 65.156 -0.859 25098 1034 1 3 . 1 1 74 74 CYS N N 74 114.456 114.456 112.874 1.582 25098 1035 1 3 . 1 1 74 74 CYS HA H 74 4.320 4.320 4.391 -0.071 25098 1036 1 3 . 1 1 74 74 CYS CA C 74 60.192 60.192 59.412 0.780 25098 1037 1 3 . 1 1 74 74 CYS CB C 74 27.035 27.035 26.460 0.575 25098 1038 1 3 . 1 1 74 74 CYS H H 74 8.010 8.010 8.098 -0.088 25098 1039 1 3 . 1 1 75 75 LEU N N 75 120.476 120.476 118.383 2.093 25098 1040 1 3 . 1 1 75 75 LEU HA H 75 4.546 4.546 4.519 0.027 25098 1041 1 3 . 1 1 75 75 LEU CA C 75 53.987 53.987 53.976 0.011 25098 1042 1 3 . 1 1 75 75 LEU CB C 75 41.083 41.083 42.636 -1.553 25098 1043 1 3 . 1 1 75 75 LEU H H 75 7.629 7.629 7.489 0.140 25098 1044 1 3 . 1 1 76 76 ASP N N 76 117.861 117.861 119.058 -1.197 25098 1045 1 3 . 1 1 76 76 ASP HA H 76 4.466 4.466 4.382 0.084 25098 1046 1 3 . 1 1 76 76 ASP CB C 76 41.608 41.608 42.073 -0.465 25098 1047 1 3 . 1 1 76 76 ASP H H 76 7.465 7.465 7.481 -0.016 25098 1048 1 3 . 1 1 77 77 GLN HA H 77 5.368 5.368 4.632 0.736 25098 1049 1 3 . 1 1 77 77 GLN CA C 77 53.830 53.830 54.276 -0.446 25098 1050 1 3 . 1 1 77 77 GLN CB C 77 33.290 33.290 33.204 0.086 25098 1051 1 3 . 1 1 78 78 ILE N N 78 123.134 123.134 119.760 3.374 25098 1052 1 3 . 1 1 78 78 ILE HA H 78 4.893 4.893 4.389 0.504 25098 1053 1 3 . 1 1 78 78 ILE CA C 78 56.862 56.862 60.538 -3.676 25098 1054 1 3 . 1 1 78 78 ILE CB C 78 42.611 42.611 41.942 0.669 25098 1055 1 3 . 1 1 78 78 ILE H H 78 9.043 9.043 8.918 0.125 25098 1056 1 3 . 1 1 79 79 VAL N N 79 125.068 125.068 128.446 -3.378 25098 1057 1 3 . 1 1 79 79 VAL HA H 79 4.911 4.911 5.446 -0.535 25098 1058 1 3 . 1 1 79 79 VAL CB C 79 35.336 35.336 35.483 -0.147 25098 1059 1 3 . 1 1 79 79 VAL H H 79 8.911 8.911 8.089 0.822 25098 1060 1 3 . 1 1 80 80 PHE N N 80 123.479 123.479 128.559 -5.080 25098 1061 1 3 . 1 1 80 80 PHE HA H 80 5.574 5.574 5.284 0.290 25098 1062 1 3 . 1 1 80 80 PHE CA C 80 53.684 53.684 55.889 -2.205 25098 1063 1 3 . 1 1 80 80 PHE CB C 80 39.905 39.905 39.351 0.554 25098 1064 1 3 . 1 1 80 80 PHE H H 80 8.628 8.628 9.599 -0.971 25098 1065 1 3 . 1 1 81 81 PRO HA H 81 4.427 4.427 4.354 0.073 25098 1066 1 3 . 1 1 81 81 PRO CA C 81 65.254 65.254 65.223 0.031 25098 1067 1 3 . 1 1 81 81 PRO CB C 81 32.319 32.319 31.578 0.741 25098 1068 1 3 . 1 1 82 82 ASP N N 82 114.119 114.119 115.777 -1.658 25098 1069 1 3 . 1 1 82 82 ASP HA H 82 4.484 4.484 4.745 -0.261 25098 1070 1 3 . 1 1 82 82 ASP CA C 82 55.569 55.569 55.502 0.067 25098 1071 1 3 . 1 1 82 82 ASP CB C 82 41.625 41.625 41.758 -0.133 25098 1072 1 3 . 1 1 82 82 ASP H H 82 8.692 8.692 8.533 0.159 25098 1073 1 3 . 1 1 83 83 PHE N N 83 113.198 113.198 118.660 -5.462 25098 1074 1 3 . 1 1 83 83 PHE HA H 83 4.618 4.618 4.737 -0.119 25098 1075 1 3 . 1 1 83 83 PHE CA C 83 57.454 57.454 58.744 -1.290 25098 1076 1 3 . 1 1 83 83 PHE CB C 83 41.445 41.445 40.959 0.486 25098 1077 1 3 . 1 1 83 83 PHE H H 83 7.434 7.434 7.881 -0.447 25098 1078 1 3 . 1 1 84 84 GLY N N 84 108.212 108.212 108.847 -0.635 25098 1079 1 3 . 1 1 84 84 GLY CA C 84 46.552 46.552 45.576 0.976 25098 1080 1 3 . 1 1 84 84 GLY H H 84 7.677 7.677 8.683 -1.006 25098 1081 1 3 . 1 1 85 85 VAL N N 85 117.875 117.875 123.021 -5.146 25098 1082 1 3 . 1 1 85 85 VAL HA H 85 4.270 4.270 4.143 0.127 25098 1083 1 3 . 1 1 85 85 VAL CA C 85 61.664 61.664 60.907 0.756 25098 1084 1 3 . 1 1 85 85 VAL CB C 85 34.286 34.286 32.459 1.827 25098 1085 1 3 . 1 1 85 85 VAL H H 85 7.075 7.075 7.455 -0.380 25098 1086 1 3 . 1 1 86 86 HIS N N 86 129.355 129.355 124.511 4.844 25098 1087 1 3 . 1 1 86 86 HIS HA H 86 5.204 5.204 5.608 -0.404 25098 1088 1 3 . 1 1 86 86 HIS CA C 86 55.513 55.513 53.287 2.226 25098 1089 1 3 . 1 1 86 86 HIS CB C 86 31.131 31.131 30.561 0.570 25098 1090 1 3 . 1 1 86 86 HIS H H 86 8.921 8.921 8.339 0.582 25098 1091 1 3 . 1 1 87 87 ALA N N 87 126.717 126.717 126.004 0.713 25098 1092 1 3 . 1 1 87 87 ALA HA H 87 4.749 4.749 4.666 0.083 25098 1093 1 3 . 1 1 87 87 ALA CA C 87 50.886 50.886 50.736 0.150 25098 1094 1 3 . 1 1 87 87 ALA CB C 87 22.088 22.088 22.183 -0.095 25098 1095 1 3 . 1 1 87 87 ALA H H 87 8.799 8.799 9.294 -0.495 25098 1096 1 3 . 1 1 88 88 ASN N N 88 119.348 119.348 116.963 2.385 25098 1097 1 3 . 1 1 88 88 ASN HA H 88 5.125 5.125 4.764 0.361 25098 1098 1 3 . 1 1 88 88 ASN CA C 88 51.796 51.796 52.379 -0.583 25098 1099 1 3 . 1 1 88 88 ASN CB C 88 39.015 39.015 40.331 -1.316 25098 1100 1 3 . 1 1 88 88 ASN H H 88 8.230 8.230 8.231 -0.001 25098 1101 1 3 . 1 1 89 89 LEU N N 89 122.766 122.766 124.151 -1.385 25098 1102 1 3 . 1 1 89 89 LEU HA H 89 4.440 4.440 4.774 -0.334 25098 1103 1 3 . 1 1 89 89 LEU CA C 89 50.791 50.791 51.841 -1.050 25098 1104 1 3 . 1 1 89 89 LEU CB C 89 42.662 42.662 43.036 -0.374 25098 1105 1 3 . 1 1 89 89 LEU H H 89 8.356 8.356 8.769 -0.413 25098 1106 1 3 . 1 1 90 90 PRO HA H 90 4.434 4.434 4.544 -0.110 25098 1107 1 3 . 1 1 90 90 PRO CA C 90 61.669 61.669 62.138 -0.469 25098 1108 1 3 . 1 1 91 91 MET N N 91 121.751 121.751 125.636 -3.885 25098 1109 1 3 . 1 1 91 91 MET HA H 91 4.144 4.144 4.125 0.019 25098 1110 1 3 . 1 1 91 91 MET CA C 91 55.460 55.460 55.373 0.087 25098 1111 1 3 . 1 1 91 91 MET CB C 91 30.951 30.951 32.190 -1.239 25098 1112 1 3 . 1 1 91 91 MET H H 91 8.709 8.709 8.580 0.129 25098 1113 1 3 . 1 1 92 92 GLY N N 92 112.856 112.856 113.923 -1.067 25098 1114 1 3 . 1 1 92 92 GLY CA C 92 46.265 46.265 44.982 1.283 25098 1115 1 3 . 1 1 92 92 GLY H H 92 8.325 8.325 8.664 -0.339 25098 1116 1 3 . 1 1 93 93 GLU N N 93 116.930 116.930 118.472 -1.542 25098 1117 1 3 . 1 1 93 93 GLU HA H 93 4.747 4.747 4.705 0.042 25098 1118 1 3 . 1 1 93 93 GLU CA C 93 54.151 54.151 54.498 -0.346 25098 1119 1 3 . 1 1 93 93 GLU CB C 93 33.784 33.784 33.013 0.771 25098 1120 1 3 . 1 1 93 93 GLU H H 93 7.331 7.331 7.780 -0.449 25098 1121 1 3 . 1 1 94 94 GLU N N 94 119.837 119.837 118.933 0.904 25098 1122 1 3 . 1 1 94 94 GLU HA H 94 5.103 5.103 5.248 -0.145 25098 1123 1 3 . 1 1 94 94 GLU CA C 94 55.340 55.340 54.919 0.421 25098 1124 1 3 . 1 1 94 94 GLU CB C 94 31.196 31.196 31.691 -0.495 25098 1125 1 3 . 1 1 94 94 GLU H H 94 8.418 8.418 8.613 -0.195 25098 1126 1 3 . 1 1 95 95 TYR N N 95 124.949 124.949 124.964 -0.015 25098 1127 1 3 . 1 1 95 95 TYR HA H 95 4.637 4.637 4.761 -0.124 25098 1128 1 3 . 1 1 95 95 TYR CA C 95 58.125 58.125 57.298 0.827 25098 1129 1 3 . 1 1 95 95 TYR CB C 95 43.144 43.144 40.940 2.204 25098 1130 1 3 . 1 1 95 95 TYR H H 95 9.059 9.059 9.113 -0.054 25098 1131 1 3 . 1 1 96 96 VAL N N 96 128.075 128.075 127.422 0.653 25098 1132 1 3 . 1 1 96 96 VAL HA H 96 4.440 4.440 4.861 -0.421 25098 1133 1 3 . 1 1 96 96 VAL CA C 96 61.772 61.772 60.485 1.287 25098 1134 1 3 . 1 1 96 96 VAL CB C 96 32.805 32.805 33.797 -0.992 25098 1135 1 3 . 1 1 96 96 VAL H H 96 7.795 7.795 8.316 -0.521 25098 1136 1 3 . 1 1 97 97 VAL N N 97 129.541 129.541 129.360 0.181 25098 1137 1 3 . 1 1 97 97 VAL HA H 97 3.917 3.917 4.278 -0.361 25098 1138 1 3 . 1 1 97 97 VAL CA C 97 61.821 61.821 61.461 0.360 25098 1139 1 3 . 1 1 97 97 VAL CB C 97 33.313 33.313 33.512 -0.199 25098 1140 1 3 . 1 1 97 97 VAL H H 97 9.110 9.110 8.961 0.149 25098 1141 1 3 . 1 1 98 98 GLU N N 98 127.575 127.575 129.004 -1.429 25098 1142 1 3 . 1 1 98 98 GLU HA H 98 5.237 5.237 4.771 0.466 25098 1143 1 3 . 1 1 98 98 GLU CA C 98 54.576 54.576 56.225 -1.649 25098 1144 1 3 . 1 1 98 98 GLU CB C 98 30.995 30.995 30.317 0.678 25098 1145 1 3 . 1 1 98 98 GLU H H 98 8.166 8.166 8.667 -0.501 25098 1146 1 3 . 1 1 99 99 ILE N N 99 118.374 118.374 122.200 -3.826 25098 1147 1 3 . 1 1 99 99 ILE HA H 99 4.386 4.386 4.525 -0.139 25098 1148 1 3 . 1 1 99 99 ILE CA C 99 59.143 59.143 58.831 0.312 25098 1149 1 3 . 1 1 99 99 ILE CB C 99 43.580 43.580 41.857 1.723 25098 1150 1 3 . 1 1 99 99 ILE H H 99 7.881 7.881 8.939 -1.058 25098 1151 1 3 . 1 1 100 100 THR N N 100 119.619 119.619 117.697 1.922 25098 1152 1 3 . 1 1 100 100 THR HA H 100 4.717 4.717 4.833 -0.116 25098 1153 1 3 . 1 1 100 100 THR CA C 100 58.983 58.983 59.148 -0.165 25098 1154 1 3 . 1 1 100 100 THR CB C 100 69.121 69.121 68.765 0.356 25098 1155 1 3 . 1 1 100 100 THR H H 100 8.885 8.885 8.357 0.528 25098 1156 1 3 . 1 1 101 101 PRO HA H 101 4.620 4.620 4.685 -0.065 25098 1157 1 3 . 1 1 101 101 PRO CA C 101 62.096 62.096 62.974 -0.877 25098 1158 1 3 . 1 1 101 101 PRO CB C 101 32.296 32.296 31.614 0.682 25098 1159 1 3 . 1 1 102 102 GLU N N 102 124.589 124.589 123.844 0.745 25098 1160 1 3 . 1 1 102 102 GLU HA H 102 4.379 4.379 4.423 -0.044 25098 1161 1 3 . 1 1 102 102 GLU CA C 102 56.649 56.649 56.506 0.143 25098 1162 1 3 . 1 1 102 102 GLU CB C 102 30.740 30.740 30.230 0.510 25098 1163 1 3 . 1 1 102 102 GLU H H 102 8.574 8.574 8.507 0.067 25098 1164 1 3 . 1 1 103 103 GLN N N 103 118.304 118.304 117.504 0.800 25098 1165 1 3 . 1 1 103 103 GLN HA H 103 4.662 4.662 4.462 0.200 25098 1166 1 3 . 1 1 103 103 GLN CA C 103 53.956 53.956 55.628 -1.672 25098 1167 1 3 . 1 1 103 103 GLN CB C 103 31.762 31.762 32.203 -0.441 25098 1168 1 3 . 1 1 103 103 GLN H H 103 8.518 8.518 7.526 0.992 25098 1169 1 3 . 1 1 104 104 ALA N N 104 124.603 124.603 126.031 -1.428 25098 1170 1 3 . 1 1 104 104 ALA HA H 104 4.195 4.195 4.605 -0.410 25098 1171 1 3 . 1 1 104 104 ALA CA C 104 51.886 51.886 52.016 -0.130 25098 1172 1 3 . 1 1 104 104 ALA CB C 104 19.377 19.377 19.203 0.175 25098 1173 1 3 . 1 1 104 104 ALA H H 104 8.575 8.575 8.436 0.139 25098 1174 1 3 . 1 1 105 105 GLY N N 105 108.486 108.486 111.774 -3.288 25098 1175 1 3 . 1 1 105 105 GLY CA C 105 44.726 44.726 45.360 -0.634 25098 1176 1 3 . 1 1 105 105 GLY H H 105 8.710 8.710 8.082 0.628 25098 1177 1 3 . 1 1 106 106 GLU N N 106 118.462 118.462 120.672 -2.210 25098 1178 1 3 . 1 1 106 106 GLU HA H 106 5.098 5.098 5.181 -0.083 25098 1179 1 3 . 1 1 106 106 GLU CA C 106 54.382 54.382 55.785 -1.403 25098 1180 1 3 . 1 1 106 106 GLU CB C 106 31.878 31.878 31.368 0.510 25098 1181 1 3 . 1 1 106 106 GLU H H 106 7.620 7.620 8.307 -0.687 25098 1182 1 3 . 1 1 107 107 PHE N N 107 123.388 123.388 124.617 -1.229 25098 1183 1 3 . 1 1 107 107 PHE HA H 107 4.999 4.999 5.124 -0.125 25098 1184 1 3 . 1 1 107 107 PHE CA C 107 56.623 56.623 56.871 -0.248 25098 1185 1 3 . 1 1 107 107 PHE CB C 107 43.035 43.035 43.197 -0.162 25098 1186 1 3 . 1 1 107 107 PHE H H 107 9.381 9.381 9.508 -0.127 25098 1187 1 3 . 1 1 108 108 SER N N 108 117.621 117.621 114.559 3.062 25098 1188 1 3 . 1 1 108 108 SER HA H 108 5.137 5.137 4.987 0.150 25098 1189 1 3 . 1 1 108 108 SER CA C 108 58.465 58.465 57.753 0.712 25098 1190 1 3 . 1 1 108 108 SER CB C 108 65.864 65.864 66.054 -0.190 25098 1191 1 3 . 1 1 108 108 SER H H 108 8.846 8.846 9.142 -0.296 25098 1192 1 3 . 1 1 109 109 PHE N N 109 116.119 116.119 114.919 1.200 25098 1193 1 3 . 1 1 109 109 PHE HA H 109 5.154 5.154 4.891 0.263 25098 1194 1 3 . 1 1 109 109 PHE CA C 109 55.800 55.800 56.168 -0.368 25098 1195 1 3 . 1 1 109 109 PHE CB C 109 39.858 39.858 41.199 -1.341 25098 1196 1 3 . 1 1 109 109 PHE H H 109 7.646 7.646 8.111 -0.465 25098 1197 1 3 . 1 1 110 110 ALA N N 110 121.615 121.615 122.699 -1.084 25098 1198 1 3 . 1 1 110 110 ALA HA H 110 5.258 5.258 4.903 0.355 25098 1199 1 3 . 1 1 110 110 ALA CA C 110 50.940 50.940 51.646 -0.706 25098 1200 1 3 . 1 1 110 110 ALA CB C 110 24.724 24.724 22.621 2.103 25098 1201 1 3 . 1 1 110 110 ALA H H 110 8.826 8.826 8.221 0.605 25098 1202 1 3 . 1 1 111 111 CYS N N 111 114.162 114.162 116.765 -2.603 25098 1203 1 3 . 1 1 111 111 CYS HA H 111 5.372 5.372 4.631 0.741 25098 1204 1 3 . 1 1 111 111 CYS CA C 111 55.651 55.651 58.543 -2.892 25098 1205 1 3 . 1 1 111 111 CYS CB C 111 33.551 33.551 29.581 3.970 25098 1206 1 3 . 1 1 111 111 CYS H H 111 7.820 7.820 8.825 -1.005 25098 1207 1 3 . 1 1 112 112 GLY N N 112 108.348 108.348 117.026 -8.678 25098 1208 1 3 . 1 1 112 112 GLY H H 112 8.277 8.277 8.662 -0.385 25098 1209 1 3 . 1 1 117 117 HIS N N 117 117.324 117.324 116.807 0.517 25098 1210 1 3 . 1 1 117 117 HIS HA H 117 4.540 4.540 4.921 -0.381 25098 1211 1 3 . 1 1 117 117 HIS CA C 117 56.897 56.897 54.732 2.165 25098 1212 1 3 . 1 1 117 117 HIS CB C 117 29.675 29.675 32.000 -2.325 25098 1213 1 3 . 1 1 117 117 HIS H H 117 8.670 8.670 7.837 0.833 25098 1214 1 3 . 1 1 118 118 GLY N N 118 109.716 109.716 105.979 3.737 25098 1215 1 3 . 1 1 118 118 GLY CA C 118 43.143 43.143 43.338 -0.195 25098 1216 1 3 . 1 1 118 118 GLY H H 118 8.350 8.350 8.303 0.047 25098 1217 1 3 . 1 1 119 119 LYS N N 119 120.631 120.631 120.312 0.319 25098 1218 1 3 . 1 1 119 119 LYS HA H 119 4.949 4.949 4.983 -0.034 25098 1219 1 3 . 1 1 119 119 LYS CA C 119 55.192 55.192 54.854 0.338 25098 1220 1 3 . 1 1 119 119 LYS CB C 119 36.931 36.931 37.163 -0.232 25098 1221 1 3 . 1 1 119 119 LYS H H 119 8.561 8.561 8.645 -0.084 25098 1222 1 3 . 1 1 120 120 MET N N 120 123.525 123.525 123.452 0.073 25098 1223 1 3 . 1 1 120 120 MET HA H 120 5.565 5.565 5.437 0.128 25098 1224 1 3 . 1 1 120 120 MET CA C 120 53.142 53.142 54.517 -1.375 25098 1225 1 3 . 1 1 120 120 MET CB C 120 37.448 37.448 37.667 -0.219 25098 1226 1 3 . 1 1 120 120 MET H H 120 9.329 9.329 9.272 0.057 25098 1227 1 3 . 1 1 121 121 ILE N N 121 127.707 127.707 126.243 1.464 25098 1228 1 3 . 1 1 121 121 ILE HA H 121 4.890 4.890 5.042 -0.152 25098 1229 1 3 . 1 1 121 121 ILE CA C 121 60.048 60.048 60.443 -0.395 25098 1230 1 3 . 1 1 121 121 ILE CB C 121 39.806 39.806 40.535 -0.729 25098 1231 1 3 . 1 1 121 121 ILE H H 121 9.471 9.471 9.288 0.183 25098 1232 1 3 . 1 1 122 122 VAL N N 122 127.738 127.738 127.293 0.445 25098 1233 1 3 . 1 1 122 122 VAL HA H 122 4.994 4.994 4.971 0.023 25098 1234 1 3 . 1 1 122 122 VAL CA C 122 60.618 60.618 60.691 -0.073 25098 1235 1 3 . 1 1 122 122 VAL CB C 122 33.297 33.297 31.657 1.640 25098 1236 1 3 . 1 1 122 122 VAL H H 122 9.350 9.350 8.912 0.438 25098 1237 1 4 . 1 1 28 28 MET N N 28 119.966 119.966 119.684 0.282 25098 1238 1 4 . 1 1 28 28 MET H H 28 8.438 8.438 7.694 0.744 25098 1239 1 4 . 1 1 29 29 GLY N N 29 109.326 109.326 111.813 -2.487 25098 1240 1 4 . 1 1 29 29 GLY CA C 29 44.803 44.803 44.540 0.263 25098 1241 1 4 . 1 1 29 29 GLY H H 29 8.343 8.343 8.126 0.217 25098 1242 1 4 . 1 1 30 30 GLN N N 30 121.171 121.171 121.051 0.120 25098 1243 1 4 . 1 1 30 30 GLN HA H 30 4.548 4.548 4.592 -0.044 25098 1244 1 4 . 1 1 30 30 GLN CA C 30 54.981 54.981 55.264 -0.283 25098 1245 1 4 . 1 1 30 30 GLN CB C 30 30.824 30.824 32.753 -1.929 25098 1246 1 4 . 1 1 30 30 GLN H H 30 8.174 8.174 8.705 -0.531 25098 1247 1 4 . 1 1 31 31 LYS N N 31 125.160 125.160 126.350 -1.190 25098 1248 1 4 . 1 1 31 31 LYS HA H 31 4.829 4.829 4.341 0.488 25098 1249 1 4 . 1 1 31 31 LYS CA C 31 55.952 55.952 56.212 -0.259 25098 1250 1 4 . 1 1 31 31 LYS CB C 31 33.322 33.322 33.188 0.134 25098 1251 1 4 . 1 1 31 31 LYS H H 31 8.713 8.713 8.744 -0.031 25098 1252 1 4 . 1 1 32 32 ALA N N 32 123.842 123.842 129.270 -5.428 25098 1253 1 4 . 1 1 32 32 ALA HA H 32 4.125 4.125 4.249 -0.124 25098 1254 1 4 . 1 1 32 32 ALA CA C 32 52.301 52.301 51.949 0.352 25098 1255 1 4 . 1 1 32 32 ALA CB C 32 18.956 18.956 19.980 -1.024 25098 1256 1 4 . 1 1 32 32 ALA H H 32 8.152 8.152 8.059 0.093 25098 1257 1 4 . 1 1 33 33 GLN N N 33 121.807 121.807 120.507 1.300 25098 1258 1 4 . 1 1 33 33 GLN HA H 33 4.380 4.380 4.340 0.040 25098 1259 1 4 . 1 1 33 33 GLN CA C 33 55.299 55.299 55.313 -0.014 25098 1260 1 4 . 1 1 33 33 GLN CB C 33 29.835 29.835 29.745 0.090 25098 1261 1 4 . 1 1 33 33 GLN H H 33 8.808 8.808 8.505 0.303 25098 1262 1 4 . 1 1 34 34 GLN N N 34 124.320 124.320 123.755 0.565 25098 1263 1 4 . 1 1 34 34 GLN HA H 34 4.212 4.212 4.334 -0.122 25098 1264 1 4 . 1 1 34 34 GLN CA C 34 55.368 55.368 55.440 -0.072 25098 1265 1 4 . 1 1 34 34 GLN CB C 34 27.615 27.615 29.386 -1.771 25098 1266 1 4 . 1 1 34 34 GLN H H 34 9.025 9.025 8.522 0.503 25098 1267 1 4 . 1 1 35 35 LYS N N 35 126.662 126.662 123.296 3.366 25098 1268 1 4 . 1 1 35 35 LYS HA H 35 4.441 4.441 4.264 0.177 25098 1269 1 4 . 1 1 35 35 LYS CA C 35 54.126 54.126 54.203 -0.077 25098 1270 1 4 . 1 1 35 35 LYS CB C 35 31.475 31.475 32.865 -1.391 25098 1271 1 4 . 1 1 35 35 LYS H H 35 8.479 8.479 8.629 -0.150 25098 1272 1 4 . 1 1 36 36 ASN N N 36 118.026 118.026 119.358 -1.332 25098 1273 1 4 . 1 1 36 36 ASN HA H 36 4.611 4.611 4.535 0.076 25098 1274 1 4 . 1 1 36 36 ASN CA C 36 53.478 53.478 53.308 0.170 25098 1275 1 4 . 1 1 36 36 ASN CB C 36 36.839 36.839 36.487 0.352 25098 1276 1 4 . 1 1 36 36 ASN H H 36 8.062 8.062 8.120 -0.058 25098 1277 1 4 . 1 1 37 37 GLY N N 37 111.719 111.719 108.729 2.990 25098 1278 1 4 . 1 1 37 37 GLY CA C 37 45.230 45.230 45.582 -0.352 25098 1279 1 4 . 1 1 37 37 GLY H H 37 8.285 8.285 8.070 0.215 25098 1280 1 4 . 1 1 38 38 TYR N N 38 114.733 114.733 114.245 0.488 25098 1281 1 4 . 1 1 38 38 TYR HA H 38 5.107 5.107 5.288 -0.181 25098 1282 1 4 . 1 1 38 38 TYR CA C 38 55.398 55.398 55.282 0.116 25098 1283 1 4 . 1 1 38 38 TYR CB C 38 39.246 39.246 40.206 -0.960 25098 1284 1 4 . 1 1 38 38 TYR H H 38 7.158 7.158 7.115 0.043 25098 1285 1 4 . 1 1 39 39 GLN N N 39 117.964 117.964 117.153 0.811 25098 1286 1 4 . 1 1 39 39 GLN HA H 39 5.472 5.472 5.108 0.364 25098 1287 1 4 . 1 1 39 39 GLN CA C 39 52.396 52.396 53.859 -1.463 25098 1288 1 4 . 1 1 39 39 GLN CB C 39 30.812 30.812 32.519 -1.707 25098 1289 1 4 . 1 1 39 39 GLN H H 39 9.401 9.401 8.967 0.434 25098 1290 1 4 . 1 1 40 40 GLU N N 40 123.527 123.527 121.422 2.105 25098 1291 1 4 . 1 1 40 40 GLU HA H 40 5.809 5.809 5.607 0.202 25098 1292 1 4 . 1 1 40 40 GLU CA C 40 54.574 54.574 54.832 -0.258 25098 1293 1 4 . 1 1 40 40 GLU CB C 40 35.999 35.999 34.469 1.530 25098 1294 1 4 . 1 1 40 40 GLU H H 40 9.027 9.027 8.991 0.036 25098 1295 1 4 . 1 1 41 41 ILE N N 41 124.884 124.884 122.532 2.352 25098 1296 1 4 . 1 1 41 41 ILE HA H 41 4.686 4.686 4.455 0.231 25098 1297 1 4 . 1 1 41 41 ILE CA C 41 59.126 59.126 60.446 -1.320 25098 1298 1 4 . 1 1 41 41 ILE CB C 41 42.658 42.658 41.878 0.780 25098 1299 1 4 . 1 1 41 41 ILE H H 41 8.503 8.503 8.310 0.193 25098 1300 1 4 . 1 1 42 42 ARG N N 42 127.316 127.316 129.051 -1.735 25098 1301 1 4 . 1 1 42 42 ARG HA H 42 5.136 5.136 4.692 0.444 25098 1302 1 4 . 1 1 42 42 ARG CA C 42 54.461 54.461 55.907 -1.446 25098 1303 1 4 . 1 1 42 42 ARG CB C 42 32.141 32.141 30.573 1.568 25098 1304 1 4 . 1 1 42 42 ARG H H 42 7.942 7.942 8.586 -0.644 25098 1305 1 4 . 1 1 43 43 VAL N N 43 126.060 126.060 127.025 -0.965 25098 1306 1 4 . 1 1 43 43 VAL HA H 43 4.357 4.357 4.312 0.045 25098 1307 1 4 . 1 1 43 43 VAL CA C 43 61.020 61.020 61.820 -0.800 25098 1308 1 4 . 1 1 43 43 VAL CB C 43 34.375 34.375 33.410 0.965 25098 1309 1 4 . 1 1 43 43 VAL H H 43 9.158 9.158 8.988 0.170 25098 1310 1 4 . 1 1 44 44 GLU N N 44 127.592 127.592 129.277 -1.685 25098 1311 1 4 . 1 1 44 44 GLU HA H 44 4.782 4.782 4.365 0.417 25098 1312 1 4 . 1 1 44 44 GLU CA C 44 55.944 55.944 56.470 -0.526 25098 1313 1 4 . 1 1 44 44 GLU CB C 44 31.779 31.779 30.268 1.511 25098 1314 1 4 . 1 1 44 44 GLU H H 44 9.086 9.086 8.986 0.100 25098 1315 1 4 . 1 1 45 45 VAL N N 45 126.323 126.323 128.870 -2.547 25098 1316 1 4 . 1 1 45 45 VAL HA H 45 4.910 4.910 4.515 0.395 25098 1317 1 4 . 1 1 45 45 VAL CA C 45 61.122 61.122 61.947 -0.825 25098 1318 1 4 . 1 1 45 45 VAL CB C 45 31.501 31.501 31.467 0.034 25098 1319 1 4 . 1 1 45 45 VAL H H 45 8.617 8.617 8.974 -0.357 25098 1320 1 4 . 1 1 46 46 MET N N 46 127.658 127.658 123.986 3.672 25098 1321 1 4 . 1 1 46 46 MET HA H 46 4.755 4.755 4.772 -0.017 25098 1322 1 4 . 1 1 46 46 MET CA C 46 55.999 55.999 54.325 1.674 25098 1323 1 4 . 1 1 46 46 MET CB C 46 32.530 32.530 33.253 -0.723 25098 1324 1 4 . 1 1 46 46 MET H H 46 8.319 8.319 8.016 0.303 25098 1325 1 4 . 1 1 47 47 GLY N N 47 119.231 119.231 108.276 10.955 25098 1326 1 4 . 1 1 47 47 GLY CA C 47 46.863 46.863 45.511 1.352 25098 1327 1 4 . 1 1 47 47 GLY H H 47 10.065 10.065 8.649 1.416 25098 1328 1 4 . 1 1 48 48 GLY N N 48 102.924 102.924 106.386 -3.462 25098 1329 1 4 . 1 1 48 48 GLY CA C 48 43.176 43.176 44.847 -1.671 25098 1330 1 4 . 1 1 48 48 GLY H H 48 6.639 6.639 7.781 -1.142 25098 1331 1 4 . 1 1 49 49 TYR N N 49 120.115 120.115 119.544 0.571 25098 1332 1 4 . 1 1 49 49 TYR HA H 49 5.267 5.267 5.142 0.125 25098 1333 1 4 . 1 1 49 49 TYR CA C 49 56.991 56.991 56.941 0.050 25098 1334 1 4 . 1 1 49 49 TYR CB C 49 40.490 40.490 41.152 -0.662 25098 1335 1 4 . 1 1 49 49 TYR H H 49 8.364 8.364 8.211 0.153 25098 1336 1 4 . 1 1 50 50 THR N N 50 117.545 117.545 118.145 -0.600 25098 1337 1 4 . 1 1 50 50 THR HA H 50 4.742 4.742 4.494 0.248 25098 1338 1 4 . 1 1 50 50 THR CA C 50 59.224 59.224 63.892 -4.668 25098 1339 1 4 . 1 1 50 50 THR CB C 50 71.576 71.576 67.828 3.748 25098 1340 1 4 . 1 1 50 50 THR H H 50 8.574 8.574 8.426 0.148 25098 1341 1 4 . 1 1 51 51 PRO HA H 51 4.928 4.928 4.607 0.321 25098 1342 1 4 . 1 1 51 51 PRO CA C 51 63.206 63.206 63.013 0.194 25098 1343 1 4 . 1 1 51 51 PRO CB C 51 34.946 34.946 31.195 3.751 25098 1344 1 4 . 1 1 52 52 GLU N N 52 114.661 114.661 122.315 -7.654 25098 1345 1 4 . 1 1 52 52 GLU HA H 52 4.468 4.468 3.940 0.528 25098 1346 1 4 . 1 1 52 52 GLU CA C 52 55.828 55.828 59.027 -3.199 25098 1347 1 4 . 1 1 52 52 GLU CB C 52 30.239 30.239 29.753 0.486 25098 1348 1 4 . 1 1 52 52 GLU H H 52 8.351 8.351 8.493 -0.142 25098 1349 1 4 . 1 1 53 53 LEU N N 53 123.273 123.273 116.518 6.755 25098 1350 1 4 . 1 1 53 53 LEU HA H 53 5.504 5.504 5.558 -0.054 25098 1351 1 4 . 1 1 53 53 LEU CA C 53 54.005 54.005 52.185 1.820 25098 1352 1 4 . 1 1 53 53 LEU CB C 53 44.276 44.276 44.221 0.055 25098 1353 1 4 . 1 1 53 53 LEU H H 53 7.476 7.476 7.304 0.172 25098 1354 1 4 . 1 1 54 54 ILE N N 54 121.159 121.159 120.220 0.939 25098 1355 1 4 . 1 1 54 54 ILE HA H 54 5.238 5.238 5.278 -0.040 25098 1356 1 4 . 1 1 54 54 ILE CA C 54 59.006 59.006 59.215 -0.209 25098 1357 1 4 . 1 1 54 54 ILE CB C 54 41.979 41.979 39.246 2.733 25098 1358 1 4 . 1 1 54 54 ILE H H 54 8.732 8.732 9.330 -0.598 25098 1359 1 4 . 1 1 55 55 VAL N N 55 123.295 123.295 126.670 -3.375 25098 1360 1 4 . 1 1 55 55 VAL HA H 55 5.138 5.138 4.936 0.202 25098 1361 1 4 . 1 1 55 55 VAL CA C 55 61.216 61.216 60.939 0.277 25098 1362 1 4 . 1 1 55 55 VAL CB C 55 33.376 33.376 31.778 1.598 25098 1363 1 4 . 1 1 55 55 VAL H H 55 8.456 8.456 8.712 -0.256 25098 1364 1 4 . 1 1 56 56 LEU N N 56 129.681 129.681 127.308 2.373 25098 1365 1 4 . 1 1 56 56 LEU HA H 56 4.637 4.637 5.024 -0.387 25098 1366 1 4 . 1 1 56 56 LEU CA C 56 53.044 53.044 53.346 -0.303 25098 1367 1 4 . 1 1 56 56 LEU CB C 56 45.712 45.712 46.738 -1.026 25098 1368 1 4 . 1 1 56 56 LEU H H 56 9.646 9.646 9.270 0.376 25098 1369 1 4 . 1 1 57 57 LYS N N 57 121.874 121.874 119.932 1.942 25098 1370 1 4 . 1 1 57 57 LYS HA H 57 4.815 4.815 4.662 0.153 25098 1371 1 4 . 1 1 57 57 LYS CA C 57 55.095 55.095 54.504 0.591 25098 1372 1 4 . 1 1 57 57 LYS CB C 57 33.701 33.701 33.919 -0.218 25098 1373 1 4 . 1 1 57 57 LYS H H 57 9.619 9.619 8.827 0.792 25098 1374 1 4 . 1 1 58 58 LYS N N 58 124.865 124.865 121.146 3.719 25098 1375 1 4 . 1 1 58 58 LYS HA H 58 3.714 3.714 4.523 -0.809 25098 1376 1 4 . 1 1 58 58 LYS CA C 58 57.532 57.532 55.654 1.878 25098 1377 1 4 . 1 1 58 58 LYS CB C 58 33.246 33.246 33.983 -0.737 25098 1378 1 4 . 1 1 58 58 LYS H H 58 8.793 8.793 7.907 0.886 25098 1379 1 4 . 1 1 59 59 SER N N 59 113.482 113.482 117.992 -4.510 25098 1380 1 4 . 1 1 59 59 SER HA H 59 4.084 4.084 4.087 -0.003 25098 1381 1 4 . 1 1 59 59 SER CA C 59 61.005 61.005 59.867 1.138 25098 1382 1 4 . 1 1 59 59 SER CB C 59 60.917 60.917 62.712 -1.795 25098 1383 1 4 . 1 1 59 59 SER H H 59 8.946 8.946 9.123 -0.177 25098 1384 1 4 . 1 1 60 60 VAL N N 60 123.081 123.081 121.686 1.395 25098 1385 1 4 . 1 1 60 60 VAL HA H 60 4.448 4.448 4.606 -0.158 25098 1386 1 4 . 1 1 60 60 VAL CA C 60 59.101 59.101 58.546 0.555 25098 1387 1 4 . 1 1 60 60 VAL CB C 60 33.818 33.818 35.107 -1.289 25098 1388 1 4 . 1 1 60 60 VAL H H 60 6.974 6.974 7.636 -0.662 25098 1389 1 4 . 1 1 61 61 PRO HA H 61 4.405 4.405 4.609 -0.204 25098 1390 1 4 . 1 1 61 61 PRO CA C 61 64.752 64.752 62.993 1.759 25098 1391 1 4 . 1 1 61 61 PRO CB C 61 32.273 32.273 31.182 1.091 25098 1392 1 4 . 1 1 62 62 ALA N N 62 124.881 124.881 126.578 -1.697 25098 1393 1 4 . 1 1 62 62 ALA HA H 62 5.452 5.452 5.269 0.183 25098 1394 1 4 . 1 1 62 62 ALA CA C 62 49.746 49.746 50.268 -0.522 25098 1395 1 4 . 1 1 62 62 ALA CB C 62 22.483 22.483 22.690 -0.207 25098 1396 1 4 . 1 1 62 62 ALA H H 62 9.244 9.244 9.194 0.050 25098 1397 1 4 . 1 1 63 63 ARG N N 63 122.869 122.869 122.715 0.154 25098 1398 1 4 . 1 1 63 63 ARG HA H 63 4.498 4.498 5.445 -0.947 25098 1399 1 4 . 1 1 63 63 ARG CA C 63 55.022 55.022 53.525 1.497 25098 1400 1 4 . 1 1 63 63 ARG CB C 63 31.637 31.637 32.697 -1.060 25098 1401 1 4 . 1 1 63 63 ARG H H 63 8.858 8.858 9.114 -0.256 25098 1402 1 4 . 1 1 64 64 ILE N N 64 125.797 125.797 125.215 0.582 25098 1403 1 4 . 1 1 64 64 ILE HA H 64 4.367 4.367 4.322 0.045 25098 1404 1 4 . 1 1 64 64 ILE CA C 64 60.028 60.028 58.697 1.331 25098 1405 1 4 . 1 1 64 64 ILE CB C 64 37.499 37.499 37.228 0.271 25098 1406 1 4 . 1 1 64 64 ILE H H 64 9.033 9.033 8.886 0.147 25098 1407 1 4 . 1 1 65 65 VAL N N 65 127.998 127.998 128.277 -0.279 25098 1408 1 4 . 1 1 65 65 VAL HA H 65 4.122 4.122 4.217 -0.095 25098 1409 1 4 . 1 1 65 65 VAL CA C 65 61.697 61.697 61.468 0.229 25098 1410 1 4 . 1 1 65 65 VAL CB C 65 32.480 32.480 30.451 2.029 25098 1411 1 4 . 1 1 65 65 VAL H H 65 8.800 8.800 8.877 -0.077 25098 1412 1 4 . 1 1 66 66 PHE N N 66 126.431 126.431 128.274 -1.843 25098 1413 1 4 . 1 1 66 66 PHE HA H 66 5.190 5.190 5.171 0.019 25098 1414 1 4 . 1 1 66 66 PHE CA C 66 58.012 58.012 57.251 0.761 25098 1415 1 4 . 1 1 66 66 PHE CB C 66 41.731 41.731 40.196 1.535 25098 1416 1 4 . 1 1 66 66 PHE H H 66 9.536 9.536 9.409 0.127 25098 1417 1 4 . 1 1 67 67 ASP N N 67 123.469 123.469 125.215 -1.746 25098 1418 1 4 . 1 1 67 67 ASP HA H 67 4.986 4.986 5.161 -0.175 25098 1419 1 4 . 1 1 67 67 ASP CA C 67 52.158 52.158 53.176 -1.018 25098 1420 1 4 . 1 1 67 67 ASP CB C 67 42.083 42.083 42.785 -0.702 25098 1421 1 4 . 1 1 67 67 ASP H H 67 8.806 8.806 9.072 -0.266 25098 1422 1 4 . 1 1 68 68 ARG N N 68 124.864 124.864 128.654 -3.790 25098 1423 1 4 . 1 1 68 68 ARG HA H 68 4.760 4.760 4.286 0.474 25098 1424 1 4 . 1 1 68 68 ARG CA C 68 58.018 58.018 56.291 1.727 25098 1425 1 4 . 1 1 68 68 ARG CB C 68 30.605 30.605 29.687 0.918 25098 1426 1 4 . 1 1 68 68 ARG H H 68 8.598 8.598 8.073 0.525 25098 1427 1 4 . 1 1 69 69 LYS N N 69 126.910 126.910 126.856 0.054 25098 1428 1 4 . 1 1 69 69 LYS HA H 69 4.662 4.662 4.379 0.283 25098 1429 1 4 . 1 1 69 69 LYS CA C 69 55.222 55.222 56.762 -1.540 25098 1430 1 4 . 1 1 69 69 LYS CB C 69 34.788 34.788 33.322 1.466 25098 1431 1 4 . 1 1 69 69 LYS H H 69 8.348 8.348 8.693 -0.345 25098 1432 1 4 . 1 1 70 70 ASP N N 70 119.420 119.420 119.134 0.286 25098 1433 1 4 . 1 1 70 70 ASP HA H 70 5.085 5.085 4.951 0.134 25098 1434 1 4 . 1 1 70 70 ASP CA C 70 49.872 49.872 51.026 -1.154 25098 1435 1 4 . 1 1 70 70 ASP CB C 70 45.194 45.194 42.651 2.542 25098 1436 1 4 . 1 1 70 70 ASP H H 70 6.675 6.675 7.860 -1.185 25098 1437 1 4 . 1 1 71 71 PRO HA H 71 4.589 4.589 4.556 0.033 25098 1438 1 4 . 1 1 71 71 PRO CA C 71 63.781 63.781 62.324 1.457 25098 1439 1 4 . 1 1 72 72 SER N N 72 121.578 121.578 117.591 3.987 25098 1440 1 4 . 1 1 72 72 SER HA H 72 4.462 4.462 4.541 -0.079 25098 1441 1 4 . 1 1 72 72 SER CA C 72 57.029 57.029 56.794 0.235 25098 1442 1 4 . 1 1 72 72 SER CB C 72 63.781 63.781 63.271 0.510 25098 1443 1 4 . 1 1 72 72 SER H H 72 8.624 8.624 7.670 0.954 25098 1444 1 4 . 1 1 73 73 PRO HA H 73 4.348 4.348 4.477 -0.129 25098 1445 1 4 . 1 1 73 73 PRO CA C 73 64.297 64.297 65.098 -0.801 25098 1446 1 4 . 1 1 74 74 CYS N N 74 114.456 114.456 115.178 -0.722 25098 1447 1 4 . 1 1 74 74 CYS HA H 74 4.320 4.320 4.515 -0.195 25098 1448 1 4 . 1 1 74 74 CYS CA C 74 60.192 60.192 58.508 1.684 25098 1449 1 4 . 1 1 74 74 CYS CB C 74 27.035 27.035 26.346 0.689 25098 1450 1 4 . 1 1 74 74 CYS H H 74 8.010 8.010 8.201 -0.191 25098 1451 1 4 . 1 1 75 75 LEU N N 75 120.476 120.476 118.583 1.893 25098 1452 1 4 . 1 1 75 75 LEU HA H 75 4.546 4.546 4.485 0.061 25098 1453 1 4 . 1 1 75 75 LEU CA C 75 53.987 53.987 53.912 0.075 25098 1454 1 4 . 1 1 75 75 LEU CB C 75 41.083 41.083 42.433 -1.350 25098 1455 1 4 . 1 1 75 75 LEU H H 75 7.629 7.629 7.351 0.278 25098 1456 1 4 . 1 1 76 76 ASP N N 76 117.861 117.861 119.419 -1.558 25098 1457 1 4 . 1 1 76 76 ASP HA H 76 4.466 4.466 4.420 0.046 25098 1458 1 4 . 1 1 76 76 ASP CB C 76 41.608 41.608 42.104 -0.496 25098 1459 1 4 . 1 1 76 76 ASP H H 76 7.465 7.465 7.333 0.132 25098 1460 1 4 . 1 1 77 77 GLN HA H 77 5.368 5.368 4.877 0.491 25098 1461 1 4 . 1 1 77 77 GLN CA C 77 53.830 53.830 54.725 -0.895 25098 1462 1 4 . 1 1 77 77 GLN CB C 77 33.290 33.290 31.791 1.499 25098 1463 1 4 . 1 1 78 78 ILE N N 78 123.134 123.134 124.669 -1.535 25098 1464 1 4 . 1 1 78 78 ILE HA H 78 4.893 4.893 4.378 0.515 25098 1465 1 4 . 1 1 78 78 ILE CA C 78 56.862 56.862 59.871 -3.009 25098 1466 1 4 . 1 1 78 78 ILE CB C 78 42.611 42.611 41.482 1.129 25098 1467 1 4 . 1 1 78 78 ILE H H 78 9.043 9.043 9.039 0.004 25098 1468 1 4 . 1 1 79 79 VAL N N 79 125.068 125.068 128.663 -3.595 25098 1469 1 4 . 1 1 79 79 VAL HA H 79 4.911 4.911 5.387 -0.476 25098 1470 1 4 . 1 1 79 79 VAL CB C 79 35.336 35.336 35.317 0.019 25098 1471 1 4 . 1 1 79 79 VAL H H 79 8.911 8.911 8.100 0.811 25098 1472 1 4 . 1 1 80 80 PHE N N 80 123.479 123.479 128.995 -5.516 25098 1473 1 4 . 1 1 80 80 PHE HA H 80 5.574 5.574 5.287 0.287 25098 1474 1 4 . 1 1 80 80 PHE CA C 80 53.684 53.684 55.893 -2.209 25098 1475 1 4 . 1 1 80 80 PHE CB C 80 39.905 39.905 39.259 0.646 25098 1476 1 4 . 1 1 80 80 PHE H H 80 8.628 8.628 9.736 -1.108 25098 1477 1 4 . 1 1 81 81 PRO HA H 81 4.427 4.427 4.391 0.036 25098 1478 1 4 . 1 1 81 81 PRO CA C 81 65.254 65.254 65.186 0.068 25098 1479 1 4 . 1 1 81 81 PRO CB C 81 32.319 32.319 31.486 0.833 25098 1480 1 4 . 1 1 82 82 ASP N N 82 114.119 114.119 116.747 -2.628 25098 1481 1 4 . 1 1 82 82 ASP HA H 82 4.484 4.484 4.762 -0.278 25098 1482 1 4 . 1 1 82 82 ASP CA C 82 55.569 55.569 55.553 0.016 25098 1483 1 4 . 1 1 82 82 ASP CB C 82 41.625 41.625 41.879 -0.254 25098 1484 1 4 . 1 1 82 82 ASP H H 82 8.692 8.692 8.583 0.109 25098 1485 1 4 . 1 1 83 83 PHE N N 83 113.198 113.198 118.490 -5.292 25098 1486 1 4 . 1 1 83 83 PHE HA H 83 4.618 4.618 4.767 -0.149 25098 1487 1 4 . 1 1 83 83 PHE CA C 83 57.454 57.454 58.780 -1.326 25098 1488 1 4 . 1 1 83 83 PHE CB C 83 41.445 41.445 41.031 0.414 25098 1489 1 4 . 1 1 83 83 PHE H H 83 7.434 7.434 7.966 -0.532 25098 1490 1 4 . 1 1 84 84 GLY N N 84 108.212 108.212 107.971 0.241 25098 1491 1 4 . 1 1 84 84 GLY CA C 84 46.552 46.552 45.750 0.802 25098 1492 1 4 . 1 1 84 84 GLY H H 84 7.677 7.677 8.913 -1.236 25098 1493 1 4 . 1 1 85 85 VAL N N 85 117.875 117.875 124.666 -6.791 25098 1494 1 4 . 1 1 85 85 VAL HA H 85 4.270 4.270 4.289 -0.019 25098 1495 1 4 . 1 1 85 85 VAL CA C 85 61.664 61.664 62.349 -0.685 25098 1496 1 4 . 1 1 85 85 VAL CB C 85 34.286 34.286 31.300 2.986 25098 1497 1 4 . 1 1 85 85 VAL H H 85 7.075 7.075 7.834 -0.759 25098 1498 1 4 . 1 1 86 86 HIS N N 86 129.355 129.355 124.398 4.957 25098 1499 1 4 . 1 1 86 86 HIS HA H 86 5.204 5.204 5.791 -0.587 25098 1500 1 4 . 1 1 86 86 HIS CA C 86 55.513 55.513 53.453 2.060 25098 1501 1 4 . 1 1 86 86 HIS CB C 86 31.131 31.131 31.023 0.108 25098 1502 1 4 . 1 1 86 86 HIS H H 86 8.921 8.921 8.455 0.466 25098 1503 1 4 . 1 1 87 87 ALA N N 87 126.717 126.717 127.789 -1.072 25098 1504 1 4 . 1 1 87 87 ALA HA H 87 4.749 4.749 4.642 0.107 25098 1505 1 4 . 1 1 87 87 ALA CA C 87 50.886 50.886 50.481 0.405 25098 1506 1 4 . 1 1 87 87 ALA CB C 87 22.088 22.088 22.545 -0.457 25098 1507 1 4 . 1 1 87 87 ALA H H 87 8.799 8.799 9.202 -0.403 25098 1508 1 4 . 1 1 88 88 ASN N N 88 119.348 119.348 117.759 1.589 25098 1509 1 4 . 1 1 88 88 ASN HA H 88 5.125 5.125 5.145 -0.020 25098 1510 1 4 . 1 1 88 88 ASN CA C 88 51.796 51.796 52.137 -0.341 25098 1511 1 4 . 1 1 88 88 ASN CB C 88 39.015 39.015 40.450 -1.435 25098 1512 1 4 . 1 1 88 88 ASN H H 88 8.230 8.230 8.225 0.005 25098 1513 1 4 . 1 1 89 89 LEU N N 89 122.766 122.766 122.616 0.150 25098 1514 1 4 . 1 1 89 89 LEU HA H 89 4.440 4.440 4.744 -0.304 25098 1515 1 4 . 1 1 89 89 LEU CA C 89 50.791 50.791 51.892 -1.101 25098 1516 1 4 . 1 1 89 89 LEU CB C 89 42.662 42.662 42.288 0.374 25098 1517 1 4 . 1 1 89 89 LEU H H 89 8.356 8.356 8.834 -0.478 25098 1518 1 4 . 1 1 90 90 PRO HA H 90 4.434 4.434 4.495 -0.061 25098 1519 1 4 . 1 1 90 90 PRO CA C 90 61.669 61.669 62.211 -0.542 25098 1520 1 4 . 1 1 91 91 MET N N 91 121.751 121.751 125.300 -3.549 25098 1521 1 4 . 1 1 91 91 MET HA H 91 4.144 4.144 4.089 0.055 25098 1522 1 4 . 1 1 91 91 MET CA C 91 55.460 55.460 55.337 0.124 25098 1523 1 4 . 1 1 91 91 MET CB C 91 30.951 30.951 32.367 -1.416 25098 1524 1 4 . 1 1 91 91 MET H H 91 8.709 8.709 8.507 0.202 25098 1525 1 4 . 1 1 92 92 GLY N N 92 112.856 112.856 114.184 -1.328 25098 1526 1 4 . 1 1 92 92 GLY CA C 92 46.265 46.265 45.043 1.222 25098 1527 1 4 . 1 1 92 92 GLY H H 92 8.325 8.325 8.692 -0.367 25098 1528 1 4 . 1 1 93 93 GLU N N 93 116.930 116.930 119.304 -2.374 25098 1529 1 4 . 1 1 93 93 GLU HA H 93 4.747 4.747 4.712 0.035 25098 1530 1 4 . 1 1 93 93 GLU CA C 93 54.151 54.151 54.655 -0.504 25098 1531 1 4 . 1 1 93 93 GLU CB C 93 33.784 33.784 33.071 0.713 25098 1532 1 4 . 1 1 93 93 GLU H H 93 7.331 7.331 7.890 -0.559 25098 1533 1 4 . 1 1 94 94 GLU N N 94 119.837 119.837 119.300 0.537 25098 1534 1 4 . 1 1 94 94 GLU HA H 94 5.103 5.103 5.207 -0.104 25098 1535 1 4 . 1 1 94 94 GLU CA C 94 55.340 55.340 55.316 0.023 25098 1536 1 4 . 1 1 94 94 GLU CB C 94 31.196 31.196 31.455 -0.259 25098 1537 1 4 . 1 1 94 94 GLU H H 94 8.418 8.418 8.656 -0.238 25098 1538 1 4 . 1 1 95 95 TYR N N 95 124.949 124.949 126.465 -1.516 25098 1539 1 4 . 1 1 95 95 TYR HA H 95 4.637 4.637 4.792 -0.155 25098 1540 1 4 . 1 1 95 95 TYR CA C 95 58.125 58.125 57.340 0.785 25098 1541 1 4 . 1 1 95 95 TYR CB C 95 43.144 43.144 41.453 1.691 25098 1542 1 4 . 1 1 95 95 TYR H H 95 9.059 9.059 9.296 -0.237 25098 1543 1 4 . 1 1 96 96 VAL N N 96 128.075 128.075 126.469 1.606 25098 1544 1 4 . 1 1 96 96 VAL HA H 96 4.440 4.440 4.816 -0.376 25098 1545 1 4 . 1 1 96 96 VAL CA C 96 61.772 61.772 60.589 1.183 25098 1546 1 4 . 1 1 96 96 VAL CB C 96 32.805 32.805 33.868 -1.063 25098 1547 1 4 . 1 1 96 96 VAL H H 96 7.795 7.795 8.319 -0.524 25098 1548 1 4 . 1 1 97 97 VAL N N 97 129.541 129.541 129.572 -0.031 25098 1549 1 4 . 1 1 97 97 VAL HA H 97 3.917 3.917 4.263 -0.346 25098 1550 1 4 . 1 1 97 97 VAL CA C 97 61.821 61.821 61.016 0.805 25098 1551 1 4 . 1 1 97 97 VAL CB C 97 33.313 33.313 32.947 0.366 25098 1552 1 4 . 1 1 97 97 VAL H H 97 9.110 9.110 8.885 0.225 25098 1553 1 4 . 1 1 98 98 GLU N N 98 127.575 127.575 129.035 -1.460 25098 1554 1 4 . 1 1 98 98 GLU HA H 98 5.237 5.237 4.759 0.478 25098 1555 1 4 . 1 1 98 98 GLU CA C 98 54.576 54.576 56.174 -1.598 25098 1556 1 4 . 1 1 98 98 GLU CB C 98 30.995 30.995 30.265 0.730 25098 1557 1 4 . 1 1 98 98 GLU H H 98 8.166 8.166 8.701 -0.535 25098 1558 1 4 . 1 1 99 99 ILE N N 99 118.374 118.374 122.272 -3.898 25098 1559 1 4 . 1 1 99 99 ILE HA H 99 4.386 4.386 4.550 -0.164 25098 1560 1 4 . 1 1 99 99 ILE CA C 99 59.143 59.143 58.768 0.375 25098 1561 1 4 . 1 1 99 99 ILE CB C 99 43.580 43.580 41.801 1.779 25098 1562 1 4 . 1 1 99 99 ILE H H 99 7.881 7.881 8.937 -1.056 25098 1563 1 4 . 1 1 100 100 THR N N 100 119.619 119.619 117.697 1.922 25098 1564 1 4 . 1 1 100 100 THR HA H 100 4.717 4.717 4.829 -0.112 25098 1565 1 4 . 1 1 100 100 THR CA C 100 58.983 58.983 59.168 -0.185 25098 1566 1 4 . 1 1 100 100 THR CB C 100 69.121 69.121 68.700 0.421 25098 1567 1 4 . 1 1 100 100 THR H H 100 8.885 8.885 8.376 0.509 25098 1568 1 4 . 1 1 101 101 PRO HA H 101 4.620 4.620 4.704 -0.084 25098 1569 1 4 . 1 1 101 101 PRO CA C 101 62.096 62.096 62.957 -0.861 25098 1570 1 4 . 1 1 101 101 PRO CB C 101 32.296 32.296 31.677 0.619 25098 1571 1 4 . 1 1 102 102 GLU N N 102 124.589 124.589 123.626 0.963 25098 1572 1 4 . 1 1 102 102 GLU HA H 102 4.379 4.379 4.421 -0.042 25098 1573 1 4 . 1 1 102 102 GLU CA C 102 56.649 56.649 56.422 0.227 25098 1574 1 4 . 1 1 102 102 GLU CB C 102 30.740 30.740 30.109 0.631 25098 1575 1 4 . 1 1 102 102 GLU H H 102 8.574 8.574 8.364 0.210 25098 1576 1 4 . 1 1 103 103 GLN N N 103 118.304 118.304 117.330 0.974 25098 1577 1 4 . 1 1 103 103 GLN HA H 103 4.662 4.662 4.512 0.150 25098 1578 1 4 . 1 1 103 103 GLN CA C 103 53.956 53.956 55.383 -1.427 25098 1579 1 4 . 1 1 103 103 GLN CB C 103 31.762 31.762 31.995 -0.233 25098 1580 1 4 . 1 1 103 103 GLN H H 103 8.518 8.518 7.644 0.874 25098 1581 1 4 . 1 1 104 104 ALA N N 104 124.603 124.603 126.302 -1.699 25098 1582 1 4 . 1 1 104 104 ALA HA H 104 4.195 4.195 4.561 -0.366 25098 1583 1 4 . 1 1 104 104 ALA CA C 104 51.886 51.886 52.292 -0.406 25098 1584 1 4 . 1 1 104 104 ALA CB C 104 19.377 19.377 19.111 0.266 25098 1585 1 4 . 1 1 104 104 ALA H H 104 8.575 8.575 8.508 0.067 25098 1586 1 4 . 1 1 105 105 GLY N N 105 108.486 108.486 112.008 -3.522 25098 1587 1 4 . 1 1 105 105 GLY CA C 105 44.726 44.726 45.382 -0.655 25098 1588 1 4 . 1 1 105 105 GLY H H 105 8.710 8.710 8.040 0.670 25098 1589 1 4 . 1 1 106 106 GLU N N 106 118.462 118.462 120.449 -1.987 25098 1590 1 4 . 1 1 106 106 GLU HA H 106 5.098 5.098 5.325 -0.227 25098 1591 1 4 . 1 1 106 106 GLU CA C 106 54.382 54.382 55.794 -1.412 25098 1592 1 4 . 1 1 106 106 GLU CB C 106 31.878 31.878 31.316 0.562 25098 1593 1 4 . 1 1 106 106 GLU H H 106 7.620 7.620 8.220 -0.600 25098 1594 1 4 . 1 1 107 107 PHE N N 107 123.388 123.388 124.964 -1.576 25098 1595 1 4 . 1 1 107 107 PHE HA H 107 4.999 4.999 5.252 -0.253 25098 1596 1 4 . 1 1 107 107 PHE CA C 107 56.623 56.623 56.630 -0.007 25098 1597 1 4 . 1 1 107 107 PHE CB C 107 43.035 43.035 43.379 -0.344 25098 1598 1 4 . 1 1 107 107 PHE H H 107 9.381 9.381 9.550 -0.169 25098 1599 1 4 . 1 1 108 108 SER N N 108 117.621 117.621 114.989 2.632 25098 1600 1 4 . 1 1 108 108 SER HA H 108 5.137 5.137 5.417 -0.280 25098 1601 1 4 . 1 1 108 108 SER CA C 108 58.465 58.465 57.339 1.126 25098 1602 1 4 . 1 1 108 108 SER CB C 108 65.864 65.864 66.493 -0.629 25098 1603 1 4 . 1 1 108 108 SER H H 108 8.846 8.846 9.288 -0.442 25098 1604 1 4 . 1 1 109 109 PHE N N 109 116.119 116.119 114.801 1.318 25098 1605 1 4 . 1 1 109 109 PHE HA H 109 5.154 5.154 4.826 0.328 25098 1606 1 4 . 1 1 109 109 PHE CA C 109 55.800 55.800 56.266 -0.466 25098 1607 1 4 . 1 1 109 109 PHE CB C 109 39.858 39.858 40.980 -1.122 25098 1608 1 4 . 1 1 109 109 PHE H H 109 7.646 7.646 8.462 -0.816 25098 1609 1 4 . 1 1 110 110 ALA N N 110 121.615 121.615 122.596 -0.981 25098 1610 1 4 . 1 1 110 110 ALA HA H 110 5.258 5.258 5.144 0.114 25098 1611 1 4 . 1 1 110 110 ALA CA C 110 50.940 50.940 51.632 -0.692 25098 1612 1 4 . 1 1 110 110 ALA CB C 110 24.724 24.724 22.948 1.776 25098 1613 1 4 . 1 1 110 110 ALA H H 110 8.826 8.826 8.127 0.699 25098 1614 1 4 . 1 1 111 111 CYS N N 111 114.162 114.162 118.379 -4.217 25098 1615 1 4 . 1 1 111 111 CYS HA H 111 5.372 5.372 5.101 0.271 25098 1616 1 4 . 1 1 111 111 CYS CA C 111 55.651 55.651 57.024 -1.373 25098 1617 1 4 . 1 1 111 111 CYS CB C 111 33.551 33.551 28.887 4.664 25098 1618 1 4 . 1 1 111 111 CYS H H 111 7.820 7.820 9.081 -1.261 25098 1619 1 4 . 1 1 112 112 GLY N N 112 108.348 108.348 114.807 -6.459 25098 1620 1 4 . 1 1 112 112 GLY H H 112 8.277 8.277 8.608 -0.331 25098 1621 1 4 . 1 1 117 117 HIS N N 117 117.324 117.324 119.017 -1.693 25098 1622 1 4 . 1 1 117 117 HIS HA H 117 4.540 4.540 5.095 -0.555 25098 1623 1 4 . 1 1 117 117 HIS CA C 117 56.897 56.897 54.636 2.261 25098 1624 1 4 . 1 1 117 117 HIS CB C 117 29.675 29.675 32.206 -2.530 25098 1625 1 4 . 1 1 117 117 HIS H H 117 8.670 8.670 7.980 0.690 25098 1626 1 4 . 1 1 118 118 GLY N N 118 109.716 109.716 106.882 2.834 25098 1627 1 4 . 1 1 118 118 GLY CA C 118 43.143 43.143 43.414 -0.271 25098 1628 1 4 . 1 1 118 118 GLY H H 118 8.350 8.350 8.398 -0.048 25098 1629 1 4 . 1 1 119 119 LYS N N 119 120.631 120.631 122.719 -2.088 25098 1630 1 4 . 1 1 119 119 LYS HA H 119 4.949 4.949 5.102 -0.153 25098 1631 1 4 . 1 1 119 119 LYS CA C 119 55.192 55.192 54.473 0.719 25098 1632 1 4 . 1 1 119 119 LYS CB C 119 36.931 36.931 36.750 0.181 25098 1633 1 4 . 1 1 119 119 LYS H H 119 8.561 8.561 8.815 -0.254 25098 1634 1 4 . 1 1 120 120 MET N N 120 123.525 123.525 124.481 -0.956 25098 1635 1 4 . 1 1 120 120 MET HA H 120 5.565 5.565 5.407 0.158 25098 1636 1 4 . 1 1 120 120 MET CA C 120 53.142 53.142 54.465 -1.323 25098 1637 1 4 . 1 1 120 120 MET CB C 120 37.448 37.448 37.439 0.009 25098 1638 1 4 . 1 1 120 120 MET H H 120 9.329 9.329 9.285 0.044 25098 1639 1 4 . 1 1 121 121 ILE N N 121 127.707 127.707 126.757 0.950 25098 1640 1 4 . 1 1 121 121 ILE HA H 121 4.890 4.890 5.026 -0.136 25098 1641 1 4 . 1 1 121 121 ILE CA C 121 60.048 60.048 60.382 -0.334 25098 1642 1 4 . 1 1 121 121 ILE CB C 121 39.806 39.806 40.154 -0.348 25098 1643 1 4 . 1 1 121 121 ILE H H 121 9.471 9.471 9.331 0.140 25098 1644 1 4 . 1 1 122 122 VAL N N 122 127.738 127.738 128.747 -1.009 25098 1645 1 4 . 1 1 122 122 VAL HA H 122 4.994 4.994 4.853 0.141 25098 1646 1 4 . 1 1 122 122 VAL CA C 122 60.618 60.618 61.961 -1.343 25098 1647 1 4 . 1 1 122 122 VAL CB C 122 33.297 33.297 32.674 0.623 25098 1648 1 4 . 1 1 122 122 VAL H H 122 9.350 9.350 9.095 0.255 25098 1649 1 5 . 1 1 28 28 MET N N 28 119.966 119.966 117.683 2.283 25098 1650 1 5 . 1 1 28 28 MET H H 28 8.438 8.438 7.928 0.510 25098 1651 1 5 . 1 1 29 29 GLY N N 29 109.326 109.326 107.395 1.931 25098 1652 1 5 . 1 1 29 29 GLY CA C 29 44.803 44.803 44.498 0.305 25098 1653 1 5 . 1 1 29 29 GLY H H 29 8.343 8.343 7.999 0.344 25098 1654 1 5 . 1 1 30 30 GLN N N 30 121.171 121.171 120.274 0.897 25098 1655 1 5 . 1 1 30 30 GLN HA H 30 4.548 4.548 4.599 -0.051 25098 1656 1 5 . 1 1 30 30 GLN CA C 30 54.981 54.981 54.780 0.201 25098 1657 1 5 . 1 1 30 30 GLN CB C 30 30.824 30.824 32.754 -1.930 25098 1658 1 5 . 1 1 30 30 GLN H H 30 8.174 8.174 8.759 -0.585 25098 1659 1 5 . 1 1 31 31 LYS N N 31 125.160 125.160 125.621 -0.461 25098 1660 1 5 . 1 1 31 31 LYS HA H 31 4.829 4.829 4.324 0.505 25098 1661 1 5 . 1 1 31 31 LYS CA C 31 55.952 55.952 55.943 0.009 25098 1662 1 5 . 1 1 31 31 LYS CB C 31 33.322 33.322 33.443 -0.121 25098 1663 1 5 . 1 1 31 31 LYS H H 31 8.713 8.713 8.748 -0.035 25098 1664 1 5 . 1 1 32 32 ALA N N 32 123.842 123.842 129.206 -5.364 25098 1665 1 5 . 1 1 32 32 ALA HA H 32 4.125 4.125 4.262 -0.137 25098 1666 1 5 . 1 1 32 32 ALA CA C 32 52.301 52.301 51.915 0.386 25098 1667 1 5 . 1 1 32 32 ALA CB C 32 18.956 18.956 20.106 -1.150 25098 1668 1 5 . 1 1 32 32 ALA H H 32 8.152 8.152 7.957 0.195 25098 1669 1 5 . 1 1 33 33 GLN N N 33 121.807 121.807 120.332 1.475 25098 1670 1 5 . 1 1 33 33 GLN HA H 33 4.380 4.380 4.362 0.018 25098 1671 1 5 . 1 1 33 33 GLN CA C 33 55.299 55.299 55.157 0.142 25098 1672 1 5 . 1 1 33 33 GLN CB C 33 29.835 29.835 29.699 0.136 25098 1673 1 5 . 1 1 33 33 GLN H H 33 8.808 8.808 8.479 0.329 25098 1674 1 5 . 1 1 34 34 GLN N N 34 124.320 124.320 124.168 0.152 25098 1675 1 5 . 1 1 34 34 GLN HA H 34 4.212 4.212 4.349 -0.137 25098 1676 1 5 . 1 1 34 34 GLN CA C 34 55.368 55.368 55.626 -0.258 25098 1677 1 5 . 1 1 34 34 GLN CB C 34 27.615 27.615 29.410 -1.795 25098 1678 1 5 . 1 1 34 34 GLN H H 34 9.025 9.025 8.526 0.499 25098 1679 1 5 . 1 1 35 35 LYS N N 35 126.662 126.662 123.703 2.959 25098 1680 1 5 . 1 1 35 35 LYS HA H 35 4.441 4.441 4.265 0.176 25098 1681 1 5 . 1 1 35 35 LYS CA C 35 54.126 54.126 54.253 -0.127 25098 1682 1 5 . 1 1 35 35 LYS CB C 35 31.475 31.475 32.737 -1.262 25098 1683 1 5 . 1 1 35 35 LYS H H 35 8.479 8.479 8.580 -0.101 25098 1684 1 5 . 1 1 36 36 ASN N N 36 118.026 118.026 118.809 -0.783 25098 1685 1 5 . 1 1 36 36 ASN HA H 36 4.611 4.611 4.560 0.051 25098 1686 1 5 . 1 1 36 36 ASN CA C 36 53.478 53.478 53.795 -0.317 25098 1687 1 5 . 1 1 36 36 ASN CB C 36 36.839 36.839 37.083 -0.244 25098 1688 1 5 . 1 1 36 36 ASN H H 36 8.062 8.062 8.214 -0.152 25098 1689 1 5 . 1 1 37 37 GLY N N 37 111.719 111.719 107.478 4.241 25098 1690 1 5 . 1 1 37 37 GLY CA C 37 45.230 45.230 45.515 -0.285 25098 1691 1 5 . 1 1 37 37 GLY H H 37 8.285 8.285 8.121 0.164 25098 1692 1 5 . 1 1 38 38 TYR N N 38 114.733 114.733 113.946 0.787 25098 1693 1 5 . 1 1 38 38 TYR HA H 38 5.107 5.107 5.260 -0.153 25098 1694 1 5 . 1 1 38 38 TYR CA C 38 55.398 55.398 55.215 0.183 25098 1695 1 5 . 1 1 38 38 TYR CB C 38 39.246 39.246 40.160 -0.914 25098 1696 1 5 . 1 1 38 38 TYR H H 38 7.158 7.158 7.140 0.018 25098 1697 1 5 . 1 1 39 39 GLN N N 39 117.964 117.964 117.284 0.680 25098 1698 1 5 . 1 1 39 39 GLN HA H 39 5.472 5.472 5.117 0.355 25098 1699 1 5 . 1 1 39 39 GLN CA C 39 52.396 52.396 53.805 -1.409 25098 1700 1 5 . 1 1 39 39 GLN CB C 39 30.812 30.812 32.434 -1.622 25098 1701 1 5 . 1 1 39 39 GLN H H 39 9.401 9.401 9.032 0.369 25098 1702 1 5 . 1 1 40 40 GLU N N 40 123.527 123.527 121.451 2.076 25098 1703 1 5 . 1 1 40 40 GLU HA H 40 5.809 5.809 5.581 0.228 25098 1704 1 5 . 1 1 40 40 GLU CA C 40 54.574 54.574 54.806 -0.232 25098 1705 1 5 . 1 1 40 40 GLU CB C 40 35.999 35.999 34.449 1.550 25098 1706 1 5 . 1 1 40 40 GLU H H 40 9.027 9.027 8.901 0.126 25098 1707 1 5 . 1 1 41 41 ILE N N 41 124.884 124.884 122.729 2.155 25098 1708 1 5 . 1 1 41 41 ILE HA H 41 4.686 4.686 4.514 0.172 25098 1709 1 5 . 1 1 41 41 ILE CA C 41 59.126 59.126 60.396 -1.270 25098 1710 1 5 . 1 1 41 41 ILE CB C 41 42.658 42.658 42.099 0.559 25098 1711 1 5 . 1 1 41 41 ILE H H 41 8.503 8.503 8.288 0.215 25098 1712 1 5 . 1 1 42 42 ARG N N 42 127.316 127.316 128.972 -1.656 25098 1713 1 5 . 1 1 42 42 ARG HA H 42 5.136 5.136 4.556 0.580 25098 1714 1 5 . 1 1 42 42 ARG CA C 42 54.461 54.461 55.955 -1.494 25098 1715 1 5 . 1 1 42 42 ARG CB C 42 32.141 32.141 30.648 1.492 25098 1716 1 5 . 1 1 42 42 ARG H H 42 7.942 7.942 8.614 -0.672 25098 1717 1 5 . 1 1 43 43 VAL N N 43 126.060 126.060 128.631 -2.571 25098 1718 1 5 . 1 1 43 43 VAL HA H 43 4.357 4.357 4.215 0.142 25098 1719 1 5 . 1 1 43 43 VAL CA C 43 61.020 61.020 60.201 0.819 25098 1720 1 5 . 1 1 43 43 VAL CB C 43 34.375 34.375 32.152 2.223 25098 1721 1 5 . 1 1 43 43 VAL H H 43 9.158 9.158 9.044 0.114 25098 1722 1 5 . 1 1 44 44 GLU N N 44 127.592 127.592 129.038 -1.446 25098 1723 1 5 . 1 1 44 44 GLU HA H 44 4.782 4.782 4.367 0.415 25098 1724 1 5 . 1 1 44 44 GLU CA C 44 55.944 55.944 56.548 -0.604 25098 1725 1 5 . 1 1 44 44 GLU CB C 44 31.779 31.779 30.193 1.586 25098 1726 1 5 . 1 1 44 44 GLU H H 44 9.086 9.086 8.924 0.162 25098 1727 1 5 . 1 1 45 45 VAL N N 45 126.323 126.323 128.995 -2.672 25098 1728 1 5 . 1 1 45 45 VAL HA H 45 4.910 4.910 4.513 0.397 25098 1729 1 5 . 1 1 45 45 VAL CA C 45 61.122 61.122 61.932 -0.810 25098 1730 1 5 . 1 1 45 45 VAL CB C 45 31.501 31.501 31.453 0.048 25098 1731 1 5 . 1 1 45 45 VAL H H 45 8.617 8.617 9.008 -0.391 25098 1732 1 5 . 1 1 46 46 MET N N 46 127.658 127.658 124.740 2.918 25098 1733 1 5 . 1 1 46 46 MET HA H 46 4.755 4.755 4.721 0.034 25098 1734 1 5 . 1 1 46 46 MET CA C 46 55.999 55.999 54.455 1.544 25098 1735 1 5 . 1 1 46 46 MET CB C 46 32.530 32.530 33.334 -0.804 25098 1736 1 5 . 1 1 46 46 MET H H 46 8.319 8.319 7.879 0.440 25098 1737 1 5 . 1 1 47 47 GLY N N 47 119.231 119.231 107.996 11.235 25098 1738 1 5 . 1 1 47 47 GLY CA C 47 46.863 46.863 44.960 1.903 25098 1739 1 5 . 1 1 47 47 GLY H H 47 10.065 10.065 8.630 1.435 25098 1740 1 5 . 1 1 48 48 GLY N N 48 102.924 102.924 105.986 -3.062 25098 1741 1 5 . 1 1 48 48 GLY CA C 48 43.176 43.176 45.069 -1.893 25098 1742 1 5 . 1 1 48 48 GLY H H 48 6.639 6.639 7.717 -1.078 25098 1743 1 5 . 1 1 49 49 TYR N N 49 120.115 120.115 119.466 0.649 25098 1744 1 5 . 1 1 49 49 TYR HA H 49 5.267 5.267 5.116 0.151 25098 1745 1 5 . 1 1 49 49 TYR CA C 49 56.991 56.991 57.198 -0.207 25098 1746 1 5 . 1 1 49 49 TYR CB C 49 40.490 40.490 40.544 -0.054 25098 1747 1 5 . 1 1 49 49 TYR H H 49 8.364 8.364 8.239 0.125 25098 1748 1 5 . 1 1 50 50 THR N N 50 117.545 117.545 118.737 -1.192 25098 1749 1 5 . 1 1 50 50 THR HA H 50 4.742 4.742 4.428 0.314 25098 1750 1 5 . 1 1 50 50 THR CA C 50 59.224 59.224 64.821 -5.597 25098 1751 1 5 . 1 1 50 50 THR CB C 50 71.576 71.576 68.121 3.455 25098 1752 1 5 . 1 1 50 50 THR H H 50 8.574 8.574 8.351 0.223 25098 1753 1 5 . 1 1 51 51 PRO HA H 51 4.928 4.928 4.913 0.015 25098 1754 1 5 . 1 1 51 51 PRO CA C 51 63.206 63.206 62.794 0.412 25098 1755 1 5 . 1 1 51 51 PRO CB C 51 34.946 34.946 31.595 3.351 25098 1756 1 5 . 1 1 52 52 GLU N N 52 114.661 114.661 122.207 -7.546 25098 1757 1 5 . 1 1 52 52 GLU HA H 52 4.468 4.468 3.953 0.515 25098 1758 1 5 . 1 1 52 52 GLU CA C 52 55.828 55.828 58.914 -3.086 25098 1759 1 5 . 1 1 52 52 GLU CB C 52 30.239 30.239 29.859 0.380 25098 1760 1 5 . 1 1 52 52 GLU H H 52 8.351 8.351 8.406 -0.055 25098 1761 1 5 . 1 1 53 53 LEU N N 53 123.273 123.273 116.273 7.000 25098 1762 1 5 . 1 1 53 53 LEU HA H 53 5.504 5.504 5.482 0.022 25098 1763 1 5 . 1 1 53 53 LEU CA C 53 54.005 54.005 52.737 1.268 25098 1764 1 5 . 1 1 53 53 LEU CB C 53 44.276 44.276 44.025 0.251 25098 1765 1 5 . 1 1 53 53 LEU H H 53 7.476 7.476 7.560 -0.084 25098 1766 1 5 . 1 1 54 54 ILE N N 54 121.159 121.159 119.810 1.349 25098 1767 1 5 . 1 1 54 54 ILE HA H 54 5.238 5.238 5.374 -0.136 25098 1768 1 5 . 1 1 54 54 ILE CA C 54 59.006 59.006 59.121 -0.115 25098 1769 1 5 . 1 1 54 54 ILE CB C 54 41.979 41.979 39.394 2.585 25098 1770 1 5 . 1 1 54 54 ILE H H 54 8.732 8.732 9.295 -0.563 25098 1771 1 5 . 1 1 55 55 VAL N N 55 123.295 123.295 126.632 -3.337 25098 1772 1 5 . 1 1 55 55 VAL HA H 55 5.138 5.138 4.833 0.305 25098 1773 1 5 . 1 1 55 55 VAL CA C 55 61.216 61.216 62.003 -0.787 25098 1774 1 5 . 1 1 55 55 VAL CB C 55 33.376 33.376 32.519 0.857 25098 1775 1 5 . 1 1 55 55 VAL H H 55 8.456 8.456 8.475 -0.019 25098 1776 1 5 . 1 1 56 56 LEU N N 56 129.681 129.681 128.572 1.109 25098 1777 1 5 . 1 1 56 56 LEU HA H 56 4.637 4.637 5.096 -0.459 25098 1778 1 5 . 1 1 56 56 LEU CA C 56 53.044 53.044 52.311 0.733 25098 1779 1 5 . 1 1 56 56 LEU CB C 56 45.712 45.712 46.438 -0.726 25098 1780 1 5 . 1 1 56 56 LEU H H 56 9.646 9.646 9.260 0.386 25098 1781 1 5 . 1 1 57 57 LYS N N 57 121.874 121.874 120.333 1.541 25098 1782 1 5 . 1 1 57 57 LYS HA H 57 4.815 4.815 4.746 0.069 25098 1783 1 5 . 1 1 57 57 LYS CA C 57 55.095 55.095 55.563 -0.468 25098 1784 1 5 . 1 1 57 57 LYS CB C 57 33.701 33.701 34.270 -0.569 25098 1785 1 5 . 1 1 57 57 LYS H H 57 9.619 9.619 8.680 0.939 25098 1786 1 5 . 1 1 58 58 LYS N N 58 124.865 124.865 121.413 3.452 25098 1787 1 5 . 1 1 58 58 LYS HA H 58 3.714 3.714 4.575 -0.861 25098 1788 1 5 . 1 1 58 58 LYS CA C 58 57.532 57.532 55.651 1.881 25098 1789 1 5 . 1 1 58 58 LYS CB C 58 33.246 33.246 33.780 -0.534 25098 1790 1 5 . 1 1 58 58 LYS H H 58 8.793 8.793 7.907 0.886 25098 1791 1 5 . 1 1 59 59 SER N N 59 113.482 113.482 117.908 -4.426 25098 1792 1 5 . 1 1 59 59 SER HA H 59 4.084 4.084 4.089 -0.005 25098 1793 1 5 . 1 1 59 59 SER CA C 59 61.005 61.005 59.805 1.200 25098 1794 1 5 . 1 1 59 59 SER CB C 59 60.917 60.917 62.618 -1.701 25098 1795 1 5 . 1 1 59 59 SER H H 59 8.946 8.946 9.068 -0.122 25098 1796 1 5 . 1 1 60 60 VAL N N 60 123.081 123.081 120.928 2.153 25098 1797 1 5 . 1 1 60 60 VAL HA H 60 4.448 4.448 4.585 -0.137 25098 1798 1 5 . 1 1 60 60 VAL CA C 60 59.101 59.101 58.494 0.607 25098 1799 1 5 . 1 1 60 60 VAL CB C 60 33.818 33.818 34.754 -0.936 25098 1800 1 5 . 1 1 60 60 VAL H H 60 6.974 6.974 7.464 -0.490 25098 1801 1 5 . 1 1 61 61 PRO HA H 61 4.405 4.405 4.599 -0.194 25098 1802 1 5 . 1 1 61 61 PRO CA C 61 64.752 64.752 63.029 1.724 25098 1803 1 5 . 1 1 61 61 PRO CB C 61 32.273 32.273 31.182 1.091 25098 1804 1 5 . 1 1 62 62 ALA N N 62 124.881 124.881 126.818 -1.937 25098 1805 1 5 . 1 1 62 62 ALA HA H 62 5.452 5.452 5.290 0.162 25098 1806 1 5 . 1 1 62 62 ALA CA C 62 49.746 49.746 50.259 -0.513 25098 1807 1 5 . 1 1 62 62 ALA CB C 62 22.483 22.483 22.631 -0.148 25098 1808 1 5 . 1 1 62 62 ALA H H 62 9.244 9.244 9.237 0.007 25098 1809 1 5 . 1 1 63 63 ARG N N 63 122.869 122.869 122.904 -0.035 25098 1810 1 5 . 1 1 63 63 ARG HA H 63 4.498 4.498 5.426 -0.928 25098 1811 1 5 . 1 1 63 63 ARG CA C 63 55.022 55.022 53.479 1.543 25098 1812 1 5 . 1 1 63 63 ARG CB C 63 31.637 31.637 32.586 -0.949 25098 1813 1 5 . 1 1 63 63 ARG H H 63 8.858 8.858 9.112 -0.254 25098 1814 1 5 . 1 1 64 64 ILE N N 64 125.797 125.797 125.152 0.645 25098 1815 1 5 . 1 1 64 64 ILE HA H 64 4.367 4.367 4.341 0.026 25098 1816 1 5 . 1 1 64 64 ILE CA C 64 60.028 60.028 58.605 1.423 25098 1817 1 5 . 1 1 64 64 ILE CB C 64 37.499 37.499 37.247 0.252 25098 1818 1 5 . 1 1 64 64 ILE H H 64 9.033 9.033 8.904 0.129 25098 1819 1 5 . 1 1 65 65 VAL N N 65 127.998 127.998 128.418 -0.420 25098 1820 1 5 . 1 1 65 65 VAL HA H 65 4.122 4.122 4.219 -0.097 25098 1821 1 5 . 1 1 65 65 VAL CA C 65 61.697 61.697 61.016 0.681 25098 1822 1 5 . 1 1 65 65 VAL CB C 65 32.480 32.480 30.258 2.223 25098 1823 1 5 . 1 1 65 65 VAL H H 65 8.800 8.800 8.888 -0.088 25098 1824 1 5 . 1 1 66 66 PHE N N 66 126.431 126.431 128.456 -2.025 25098 1825 1 5 . 1 1 66 66 PHE HA H 66 5.190 5.190 5.145 0.045 25098 1826 1 5 . 1 1 66 66 PHE CA C 66 58.012 58.012 57.015 0.997 25098 1827 1 5 . 1 1 66 66 PHE CB C 66 41.731 41.731 40.001 1.730 25098 1828 1 5 . 1 1 66 66 PHE H H 66 9.536 9.536 9.424 0.112 25098 1829 1 5 . 1 1 67 67 ASP N N 67 123.469 123.469 125.070 -1.601 25098 1830 1 5 . 1 1 67 67 ASP HA H 67 4.986 4.986 5.124 -0.138 25098 1831 1 5 . 1 1 67 67 ASP CA C 67 52.158 52.158 52.862 -0.704 25098 1832 1 5 . 1 1 67 67 ASP CB C 67 42.083 42.083 42.145 -0.062 25098 1833 1 5 . 1 1 67 67 ASP H H 67 8.806 8.806 9.098 -0.291 25098 1834 1 5 . 1 1 68 68 ARG N N 68 124.864 124.864 128.491 -3.627 25098 1835 1 5 . 1 1 68 68 ARG HA H 68 4.760 4.760 4.309 0.451 25098 1836 1 5 . 1 1 68 68 ARG CA C 68 58.018 58.018 56.717 1.302 25098 1837 1 5 . 1 1 68 68 ARG CB C 68 30.605 30.605 29.704 0.901 25098 1838 1 5 . 1 1 68 68 ARG H H 68 8.598 8.598 8.095 0.503 25098 1839 1 5 . 1 1 69 69 LYS N N 69 126.910 126.910 126.816 0.094 25098 1840 1 5 . 1 1 69 69 LYS HA H 69 4.662 4.662 4.319 0.343 25098 1841 1 5 . 1 1 69 69 LYS CA C 69 55.222 55.222 57.232 -2.010 25098 1842 1 5 . 1 1 69 69 LYS CB C 69 34.788 34.788 33.286 1.502 25098 1843 1 5 . 1 1 69 69 LYS H H 69 8.348 8.348 8.781 -0.433 25098 1844 1 5 . 1 1 70 70 ASP N N 70 119.420 119.420 119.433 -0.013 25098 1845 1 5 . 1 1 70 70 ASP HA H 70 5.085 5.085 4.923 0.162 25098 1846 1 5 . 1 1 70 70 ASP CA C 70 49.872 49.872 51.147 -1.274 25098 1847 1 5 . 1 1 70 70 ASP CB C 70 45.194 45.194 42.360 2.834 25098 1848 1 5 . 1 1 70 70 ASP H H 70 6.675 6.675 7.881 -1.206 25098 1849 1 5 . 1 1 71 71 PRO HA H 71 4.589 4.589 4.489 0.100 25098 1850 1 5 . 1 1 71 71 PRO CA C 71 63.781 63.781 62.429 1.352 25098 1851 1 5 . 1 1 72 72 SER N N 72 121.578 121.578 116.680 4.898 25098 1852 1 5 . 1 1 72 72 SER HA H 72 4.462 4.462 4.485 -0.023 25098 1853 1 5 . 1 1 72 72 SER CA C 72 57.029 57.029 55.518 1.511 25098 1854 1 5 . 1 1 72 72 SER CB C 72 63.781 63.781 64.472 -0.691 25098 1855 1 5 . 1 1 72 72 SER H H 72 8.624 8.624 7.568 1.056 25098 1856 1 5 . 1 1 73 73 PRO HA H 73 4.348 4.348 4.407 -0.059 25098 1857 1 5 . 1 1 73 73 PRO CA C 73 64.297 64.297 64.703 -0.406 25098 1858 1 5 . 1 1 74 74 CYS N N 74 114.456 114.456 116.057 -1.601 25098 1859 1 5 . 1 1 74 74 CYS HA H 74 4.320 4.320 4.375 -0.055 25098 1860 1 5 . 1 1 74 74 CYS CA C 74 60.192 60.192 60.140 0.052 25098 1861 1 5 . 1 1 74 74 CYS CB C 74 27.035 27.035 27.183 -0.148 25098 1862 1 5 . 1 1 74 74 CYS H H 74 8.010 8.010 7.657 0.353 25098 1863 1 5 . 1 1 75 75 LEU N N 75 120.476 120.476 117.694 2.782 25098 1864 1 5 . 1 1 75 75 LEU HA H 75 4.546 4.546 4.406 0.140 25098 1865 1 5 . 1 1 75 75 LEU CA C 75 53.987 53.987 53.862 0.125 25098 1866 1 5 . 1 1 75 75 LEU CB C 75 41.083 41.083 42.272 -1.189 25098 1867 1 5 . 1 1 75 75 LEU H H 75 7.629 7.629 7.414 0.215 25098 1868 1 5 . 1 1 76 76 ASP N N 76 117.861 117.861 119.211 -1.350 25098 1869 1 5 . 1 1 76 76 ASP HA H 76 4.466 4.466 4.416 0.050 25098 1870 1 5 . 1 1 76 76 ASP CB C 76 41.608 41.608 42.163 -0.555 25098 1871 1 5 . 1 1 76 76 ASP H H 76 7.465 7.465 7.500 -0.035 25098 1872 1 5 . 1 1 77 77 GLN HA H 77 5.368 5.368 4.613 0.755 25098 1873 1 5 . 1 1 77 77 GLN CA C 77 53.830 53.830 54.857 -1.027 25098 1874 1 5 . 1 1 77 77 GLN CB C 77 33.290 33.290 33.377 -0.087 25098 1875 1 5 . 1 1 78 78 ILE N N 78 123.134 123.134 119.747 3.387 25098 1876 1 5 . 1 1 78 78 ILE HA H 78 4.893 4.893 4.417 0.476 25098 1877 1 5 . 1 1 78 78 ILE CA C 78 56.862 56.862 60.452 -3.590 25098 1878 1 5 . 1 1 78 78 ILE CB C 78 42.611 42.611 42.117 0.494 25098 1879 1 5 . 1 1 78 78 ILE H H 78 9.043 9.043 8.989 0.054 25098 1880 1 5 . 1 1 79 79 VAL N N 79 125.068 125.068 128.578 -3.510 25098 1881 1 5 . 1 1 79 79 VAL HA H 79 4.911 4.911 5.362 -0.451 25098 1882 1 5 . 1 1 79 79 VAL CB C 79 35.336 35.336 35.157 0.179 25098 1883 1 5 . 1 1 79 79 VAL H H 79 8.911 8.911 8.098 0.813 25098 1884 1 5 . 1 1 80 80 PHE N N 80 123.479 123.479 128.909 -5.430 25098 1885 1 5 . 1 1 80 80 PHE HA H 80 5.574 5.574 5.264 0.310 25098 1886 1 5 . 1 1 80 80 PHE CA C 80 53.684 53.684 55.895 -2.211 25098 1887 1 5 . 1 1 80 80 PHE CB C 80 39.905 39.905 39.423 0.482 25098 1888 1 5 . 1 1 80 80 PHE H H 80 8.628 8.628 9.704 -1.076 25098 1889 1 5 . 1 1 81 81 PRO HA H 81 4.427 4.427 4.398 0.029 25098 1890 1 5 . 1 1 81 81 PRO CA C 81 65.254 65.254 65.201 0.053 25098 1891 1 5 . 1 1 81 81 PRO CB C 81 32.319 32.319 31.514 0.805 25098 1892 1 5 . 1 1 82 82 ASP N N 82 114.119 114.119 116.778 -2.659 25098 1893 1 5 . 1 1 82 82 ASP HA H 82 4.484 4.484 4.789 -0.305 25098 1894 1 5 . 1 1 82 82 ASP CA C 82 55.569 55.569 55.465 0.103 25098 1895 1 5 . 1 1 82 82 ASP CB C 82 41.625 41.625 41.757 -0.132 25098 1896 1 5 . 1 1 82 82 ASP H H 82 8.692 8.692 8.660 0.032 25098 1897 1 5 . 1 1 83 83 PHE N N 83 113.198 113.198 118.443 -5.245 25098 1898 1 5 . 1 1 83 83 PHE HA H 83 4.618 4.618 4.767 -0.149 25098 1899 1 5 . 1 1 83 83 PHE CA C 83 57.454 57.454 58.754 -1.300 25098 1900 1 5 . 1 1 83 83 PHE CB C 83 41.445 41.445 40.998 0.447 25098 1901 1 5 . 1 1 83 83 PHE H H 83 7.434 7.434 7.942 -0.508 25098 1902 1 5 . 1 1 84 84 GLY N N 84 108.212 108.212 108.165 0.047 25098 1903 1 5 . 1 1 84 84 GLY CA C 84 46.552 46.552 45.636 0.916 25098 1904 1 5 . 1 1 84 84 GLY H H 84 7.677 7.677 8.905 -1.228 25098 1905 1 5 . 1 1 85 85 VAL N N 85 117.875 117.875 124.469 -6.594 25098 1906 1 5 . 1 1 85 85 VAL HA H 85 4.270 4.270 4.281 -0.011 25098 1907 1 5 . 1 1 85 85 VAL CA C 85 61.664 61.664 63.358 -1.694 25098 1908 1 5 . 1 1 85 85 VAL CB C 85 34.286 34.286 31.623 2.663 25098 1909 1 5 . 1 1 85 85 VAL H H 85 7.075 7.075 7.875 -0.800 25098 1910 1 5 . 1 1 86 86 HIS N N 86 129.355 129.355 124.159 5.196 25098 1911 1 5 . 1 1 86 86 HIS HA H 86 5.204 5.204 5.770 -0.566 25098 1912 1 5 . 1 1 86 86 HIS CA C 86 55.513 55.513 53.666 1.847 25098 1913 1 5 . 1 1 86 86 HIS CB C 86 31.131 31.131 31.019 0.112 25098 1914 1 5 . 1 1 86 86 HIS H H 86 8.921 8.921 8.484 0.437 25098 1915 1 5 . 1 1 87 87 ALA N N 87 126.717 126.717 127.956 -1.239 25098 1916 1 5 . 1 1 87 87 ALA HA H 87 4.749 4.749 4.660 0.089 25098 1917 1 5 . 1 1 87 87 ALA CA C 87 50.886 50.886 50.314 0.572 25098 1918 1 5 . 1 1 87 87 ALA CB C 87 22.088 22.088 22.525 -0.437 25098 1919 1 5 . 1 1 87 87 ALA H H 87 8.799 8.799 9.227 -0.428 25098 1920 1 5 . 1 1 88 88 ASN N N 88 119.348 119.348 117.474 1.874 25098 1921 1 5 . 1 1 88 88 ASN HA H 88 5.125 5.125 4.694 0.431 25098 1922 1 5 . 1 1 88 88 ASN CA C 88 51.796 51.796 51.886 -0.090 25098 1923 1 5 . 1 1 88 88 ASN CB C 88 39.015 39.015 40.054 -1.039 25098 1924 1 5 . 1 1 88 88 ASN H H 88 8.230 8.230 8.192 0.038 25098 1925 1 5 . 1 1 89 89 LEU N N 89 122.766 122.766 120.825 1.941 25098 1926 1 5 . 1 1 89 89 LEU HA H 89 4.440 4.440 4.734 -0.294 25098 1927 1 5 . 1 1 89 89 LEU CA C 89 50.791 50.791 51.824 -1.033 25098 1928 1 5 . 1 1 89 89 LEU CB C 89 42.662 42.662 42.775 -0.113 25098 1929 1 5 . 1 1 89 89 LEU H H 89 8.356 8.356 8.663 -0.307 25098 1930 1 5 . 1 1 90 90 PRO HA H 90 4.434 4.434 4.553 -0.119 25098 1931 1 5 . 1 1 90 90 PRO CA C 90 61.669 61.669 62.101 -0.432 25098 1932 1 5 . 1 1 91 91 MET N N 91 121.751 121.751 125.640 -3.889 25098 1933 1 5 . 1 1 91 91 MET HA H 91 4.144 4.144 4.073 0.071 25098 1934 1 5 . 1 1 91 91 MET CA C 91 55.460 55.460 55.367 0.093 25098 1935 1 5 . 1 1 91 91 MET CB C 91 30.951 30.951 32.261 -1.310 25098 1936 1 5 . 1 1 91 91 MET H H 91 8.709 8.709 8.592 0.117 25098 1937 1 5 . 1 1 92 92 GLY N N 92 112.856 112.856 113.973 -1.117 25098 1938 1 5 . 1 1 92 92 GLY CA C 92 46.265 46.265 44.997 1.268 25098 1939 1 5 . 1 1 92 92 GLY H H 92 8.325 8.325 8.690 -0.365 25098 1940 1 5 . 1 1 93 93 GLU N N 93 116.930 116.930 119.212 -2.282 25098 1941 1 5 . 1 1 93 93 GLU HA H 93 4.747 4.747 4.648 0.099 25098 1942 1 5 . 1 1 93 93 GLU CA C 93 54.151 54.151 54.277 -0.126 25098 1943 1 5 . 1 1 93 93 GLU CB C 93 33.784 33.784 33.291 0.493 25098 1944 1 5 . 1 1 93 93 GLU H H 93 7.331 7.331 8.000 -0.669 25098 1945 1 5 . 1 1 94 94 GLU N N 94 119.837 119.837 119.312 0.525 25098 1946 1 5 . 1 1 94 94 GLU HA H 94 5.103 5.103 5.248 -0.145 25098 1947 1 5 . 1 1 94 94 GLU CA C 94 55.340 55.340 55.446 -0.106 25098 1948 1 5 . 1 1 94 94 GLU CB C 94 31.196 31.196 31.618 -0.422 25098 1949 1 5 . 1 1 94 94 GLU H H 94 8.418 8.418 8.645 -0.227 25098 1950 1 5 . 1 1 95 95 TYR N N 95 124.949 124.949 125.564 -0.615 25098 1951 1 5 . 1 1 95 95 TYR HA H 95 4.637 4.637 4.796 -0.159 25098 1952 1 5 . 1 1 95 95 TYR CA C 95 58.125 58.125 57.263 0.862 25098 1953 1 5 . 1 1 95 95 TYR CB C 95 43.144 43.144 41.550 1.594 25098 1954 1 5 . 1 1 95 95 TYR H H 95 9.059 9.059 9.272 -0.213 25098 1955 1 5 . 1 1 96 96 VAL N N 96 128.075 128.075 127.191 0.884 25098 1956 1 5 . 1 1 96 96 VAL HA H 96 4.440 4.440 4.816 -0.376 25098 1957 1 5 . 1 1 96 96 VAL CA C 96 61.772 61.772 60.278 1.494 25098 1958 1 5 . 1 1 96 96 VAL CB C 96 32.805 32.805 33.829 -1.024 25098 1959 1 5 . 1 1 96 96 VAL H H 96 7.795 7.795 8.304 -0.509 25098 1960 1 5 . 1 1 97 97 VAL N N 97 129.541 129.541 129.013 0.528 25098 1961 1 5 . 1 1 97 97 VAL HA H 97 3.917 3.917 4.262 -0.345 25098 1962 1 5 . 1 1 97 97 VAL CA C 97 61.821 61.821 61.207 0.614 25098 1963 1 5 . 1 1 97 97 VAL CB C 97 33.313 33.313 33.416 -0.103 25098 1964 1 5 . 1 1 97 97 VAL H H 97 9.110 9.110 8.899 0.211 25098 1965 1 5 . 1 1 98 98 GLU N N 98 127.575 127.575 129.173 -1.598 25098 1966 1 5 . 1 1 98 98 GLU HA H 98 5.237 5.237 4.686 0.551 25098 1967 1 5 . 1 1 98 98 GLU CA C 98 54.576 54.576 56.199 -1.623 25098 1968 1 5 . 1 1 98 98 GLU CB C 98 30.995 30.995 30.226 0.770 25098 1969 1 5 . 1 1 98 98 GLU H H 98 8.166 8.166 8.719 -0.553 25098 1970 1 5 . 1 1 99 99 ILE N N 99 118.374 118.374 122.090 -3.716 25098 1971 1 5 . 1 1 99 99 ILE HA H 99 4.386 4.386 4.579 -0.193 25098 1972 1 5 . 1 1 99 99 ILE CA C 99 59.143 59.143 58.770 0.373 25098 1973 1 5 . 1 1 99 99 ILE CB C 99 43.580 43.580 41.812 1.768 25098 1974 1 5 . 1 1 99 99 ILE H H 99 7.881 7.881 8.939 -1.058 25098 1975 1 5 . 1 1 100 100 THR N N 100 119.619 119.619 117.527 2.092 25098 1976 1 5 . 1 1 100 100 THR HA H 100 4.717 4.717 4.844 -0.127 25098 1977 1 5 . 1 1 100 100 THR CA C 100 58.983 58.983 59.192 -0.209 25098 1978 1 5 . 1 1 100 100 THR CB C 100 69.121 69.121 68.736 0.385 25098 1979 1 5 . 1 1 100 100 THR H H 100 8.885 8.885 8.388 0.497 25098 1980 1 5 . 1 1 101 101 PRO HA H 101 4.620 4.620 4.708 -0.088 25098 1981 1 5 . 1 1 101 101 PRO CA C 101 62.096 62.096 62.993 -0.897 25098 1982 1 5 . 1 1 101 101 PRO CB C 101 32.296 32.296 31.715 0.581 25098 1983 1 5 . 1 1 102 102 GLU N N 102 124.589 124.589 124.062 0.527 25098 1984 1 5 . 1 1 102 102 GLU HA H 102 4.379 4.379 4.331 0.048 25098 1985 1 5 . 1 1 102 102 GLU CA C 102 56.649 56.649 57.562 -0.913 25098 1986 1 5 . 1 1 102 102 GLU CB C 102 30.740 30.740 30.434 0.306 25098 1987 1 5 . 1 1 102 102 GLU H H 102 8.574 8.574 8.328 0.246 25098 1988 1 5 . 1 1 103 103 GLN N N 103 118.304 118.304 117.210 1.094 25098 1989 1 5 . 1 1 103 103 GLN HA H 103 4.662 4.662 4.602 0.060 25098 1990 1 5 . 1 1 103 103 GLN CA C 103 53.956 53.956 54.740 -0.784 25098 1991 1 5 . 1 1 103 103 GLN CB C 103 31.762 31.762 32.058 -0.296 25098 1992 1 5 . 1 1 103 103 GLN H H 103 8.518 8.518 7.715 0.803 25098 1993 1 5 . 1 1 104 104 ALA N N 104 124.603 124.603 126.445 -1.842 25098 1994 1 5 . 1 1 104 104 ALA HA H 104 4.195 4.195 4.600 -0.405 25098 1995 1 5 . 1 1 104 104 ALA CA C 104 51.886 51.886 51.998 -0.112 25098 1996 1 5 . 1 1 104 104 ALA CB C 104 19.377 19.377 19.342 0.035 25098 1997 1 5 . 1 1 104 104 ALA H H 104 8.575 8.575 8.525 0.050 25098 1998 1 5 . 1 1 105 105 GLY N N 105 108.486 108.486 111.751 -3.265 25098 1999 1 5 . 1 1 105 105 GLY CA C 105 44.726 44.726 45.398 -0.672 25098 2000 1 5 . 1 1 105 105 GLY H H 105 8.710 8.710 8.058 0.652 25098 2001 1 5 . 1 1 106 106 GLU N N 106 118.462 118.462 120.472 -2.010 25098 2002 1 5 . 1 1 106 106 GLU HA H 106 5.098 5.098 5.219 -0.121 25098 2003 1 5 . 1 1 106 106 GLU CA C 106 54.382 54.382 55.695 -1.313 25098 2004 1 5 . 1 1 106 106 GLU CB C 106 31.878 31.878 31.192 0.686 25098 2005 1 5 . 1 1 106 106 GLU H H 106 7.620 7.620 8.195 -0.575 25098 2006 1 5 . 1 1 107 107 PHE N N 107 123.388 123.388 125.667 -2.279 25098 2007 1 5 . 1 1 107 107 PHE HA H 107 4.999 4.999 5.055 -0.056 25098 2008 1 5 . 1 1 107 107 PHE CA C 107 56.623 56.623 57.085 -0.462 25098 2009 1 5 . 1 1 107 107 PHE CB C 107 43.035 43.035 43.931 -0.896 25098 2010 1 5 . 1 1 107 107 PHE H H 107 9.381 9.381 9.605 -0.224 25098 2011 1 5 . 1 1 108 108 SER N N 108 117.621 117.621 114.538 3.083 25098 2012 1 5 . 1 1 108 108 SER HA H 108 5.137 5.137 5.285 -0.148 25098 2013 1 5 . 1 1 108 108 SER CA C 108 58.465 58.465 57.588 0.877 25098 2014 1 5 . 1 1 108 108 SER CB C 108 65.864 65.864 66.568 -0.704 25098 2015 1 5 . 1 1 108 108 SER H H 108 8.846 8.846 9.245 -0.399 25098 2016 1 5 . 1 1 109 109 PHE N N 109 116.119 116.119 117.472 -1.353 25098 2017 1 5 . 1 1 109 109 PHE HA H 109 5.154 5.154 4.789 0.365 25098 2018 1 5 . 1 1 109 109 PHE CA C 109 55.800 55.800 55.591 0.209 25098 2019 1 5 . 1 1 109 109 PHE CB C 109 39.858 39.858 41.035 -1.177 25098 2020 1 5 . 1 1 109 109 PHE H H 109 7.646 7.646 8.359 -0.713 25098 2021 1 5 . 1 1 110 110 ALA N N 110 121.615 121.615 122.437 -0.822 25098 2022 1 5 . 1 1 110 110 ALA HA H 110 5.258 5.258 4.919 0.339 25098 2023 1 5 . 1 1 110 110 ALA CA C 110 50.940 50.940 51.755 -0.815 25098 2024 1 5 . 1 1 110 110 ALA CB C 110 24.724 24.724 22.680 2.044 25098 2025 1 5 . 1 1 110 110 ALA H H 110 8.826 8.826 8.118 0.708 25098 2026 1 5 . 1 1 111 111 CYS N N 111 114.162 114.162 118.587 -4.425 25098 2027 1 5 . 1 1 111 111 CYS HA H 111 5.372 5.372 4.789 0.583 25098 2028 1 5 . 1 1 111 111 CYS CA C 111 55.651 55.651 58.423 -2.772 25098 2029 1 5 . 1 1 111 111 CYS CB C 111 33.551 33.551 28.475 5.076 25098 2030 1 5 . 1 1 111 111 CYS H H 111 7.820 7.820 8.926 -1.106 25098 2031 1 5 . 1 1 112 112 GLY N N 112 108.348 108.348 116.625 -8.277 25098 2032 1 5 . 1 1 112 112 GLY H H 112 8.277 8.277 8.311 -0.034 25098 2033 1 5 . 1 1 117 117 HIS N N 117 117.324 117.324 119.131 -1.807 25098 2034 1 5 . 1 1 117 117 HIS HA H 117 4.540 4.540 5.105 -0.565 25098 2035 1 5 . 1 1 117 117 HIS CA C 117 56.897 56.897 54.751 2.146 25098 2036 1 5 . 1 1 117 117 HIS CB C 117 29.675 29.675 32.220 -2.545 25098 2037 1 5 . 1 1 117 117 HIS H H 117 8.670 8.670 7.994 0.676 25098 2038 1 5 . 1 1 118 118 GLY N N 118 109.716 109.716 106.136 3.580 25098 2039 1 5 . 1 1 118 118 GLY CA C 118 43.143 43.143 43.411 -0.268 25098 2040 1 5 . 1 1 118 118 GLY H H 118 8.350 8.350 8.375 -0.025 25098 2041 1 5 . 1 1 119 119 LYS N N 119 120.631 120.631 122.730 -2.099 25098 2042 1 5 . 1 1 119 119 LYS HA H 119 4.949 4.949 5.099 -0.150 25098 2043 1 5 . 1 1 119 119 LYS CA C 119 55.192 55.192 54.458 0.734 25098 2044 1 5 . 1 1 119 119 LYS CB C 119 36.931 36.931 36.995 -0.064 25098 2045 1 5 . 1 1 119 119 LYS H H 119 8.561 8.561 8.778 -0.217 25098 2046 1 5 . 1 1 120 120 MET N N 120 123.525 123.525 124.042 -0.517 25098 2047 1 5 . 1 1 120 120 MET HA H 120 5.565 5.565 5.455 0.110 25098 2048 1 5 . 1 1 120 120 MET CA C 120 53.142 53.142 54.508 -1.367 25098 2049 1 5 . 1 1 120 120 MET CB C 120 37.448 37.448 37.498 -0.050 25098 2050 1 5 . 1 1 120 120 MET H H 120 9.329 9.329 9.388 -0.059 25098 2051 1 5 . 1 1 121 121 ILE N N 121 127.707 127.707 126.964 0.743 25098 2052 1 5 . 1 1 121 121 ILE HA H 121 4.890 4.890 5.026 -0.136 25098 2053 1 5 . 1 1 121 121 ILE CA C 121 60.048 60.048 60.312 -0.264 25098 2054 1 5 . 1 1 121 121 ILE CB C 121 39.806 39.806 40.031 -0.225 25098 2055 1 5 . 1 1 121 121 ILE H H 121 9.471 9.471 9.376 0.095 25098 2056 1 5 . 1 1 122 122 VAL N N 122 127.738 127.738 128.371 -0.633 25098 2057 1 5 . 1 1 122 122 VAL HA H 122 4.994 4.994 5.048 -0.054 25098 2058 1 5 . 1 1 122 122 VAL CA C 122 60.618 60.618 60.631 -0.013 25098 2059 1 5 . 1 1 122 122 VAL CB C 122 33.297 33.297 31.711 1.586 25098 2060 1 5 . 1 1 122 122 VAL H H 122 9.350 9.350 8.929 0.421 25098 2061 1 6 . 1 1 28 28 MET N N 28 119.966 119.966 121.602 -1.636 25098 2062 1 6 . 1 1 28 28 MET H H 28 8.438 8.438 8.175 0.263 25098 2063 1 6 . 1 1 29 29 GLY N N 29 109.326 109.326 108.324 1.002 25098 2064 1 6 . 1 1 29 29 GLY CA C 29 44.803 44.803 44.393 0.410 25098 2065 1 6 . 1 1 29 29 GLY H H 29 8.343 8.343 7.787 0.556 25098 2066 1 6 . 1 1 30 30 GLN N N 30 121.171 121.171 120.342 0.829 25098 2067 1 6 . 1 1 30 30 GLN HA H 30 4.548 4.548 4.647 -0.099 25098 2068 1 6 . 1 1 30 30 GLN CA C 30 54.981 54.981 54.670 0.311 25098 2069 1 6 . 1 1 30 30 GLN CB C 30 30.824 30.824 32.377 -1.553 25098 2070 1 6 . 1 1 30 30 GLN H H 30 8.174 8.174 8.847 -0.673 25098 2071 1 6 . 1 1 31 31 LYS N N 31 125.160 125.160 125.253 -0.093 25098 2072 1 6 . 1 1 31 31 LYS HA H 31 4.829 4.829 4.348 0.481 25098 2073 1 6 . 1 1 31 31 LYS CA C 31 55.952 55.952 55.974 -0.022 25098 2074 1 6 . 1 1 31 31 LYS CB C 31 33.322 33.322 33.411 -0.089 25098 2075 1 6 . 1 1 31 31 LYS H H 31 8.713 8.713 8.780 -0.067 25098 2076 1 6 . 1 1 32 32 ALA N N 32 123.842 123.842 129.229 -5.387 25098 2077 1 6 . 1 1 32 32 ALA HA H 32 4.125 4.125 4.251 -0.126 25098 2078 1 6 . 1 1 32 32 ALA CA C 32 52.301 52.301 51.916 0.385 25098 2079 1 6 . 1 1 32 32 ALA CB C 32 18.956 18.956 20.067 -1.111 25098 2080 1 6 . 1 1 32 32 ALA H H 32 8.152 8.152 8.103 0.049 25098 2081 1 6 . 1 1 33 33 GLN N N 33 121.807 121.807 121.122 0.685 25098 2082 1 6 . 1 1 33 33 GLN HA H 33 4.380 4.380 4.238 0.142 25098 2083 1 6 . 1 1 33 33 GLN CA C 33 55.299 55.299 55.648 -0.349 25098 2084 1 6 . 1 1 33 33 GLN CB C 33 29.835 29.835 29.495 0.340 25098 2085 1 6 . 1 1 33 33 GLN H H 33 8.808 8.808 8.493 0.315 25098 2086 1 6 . 1 1 34 34 GLN N N 34 124.320 124.320 124.288 0.032 25098 2087 1 6 . 1 1 34 34 GLN HA H 34 4.212 4.212 4.362 -0.150 25098 2088 1 6 . 1 1 34 34 GLN CA C 34 55.368 55.368 55.710 -0.342 25098 2089 1 6 . 1 1 34 34 GLN CB C 34 27.615 27.615 29.369 -1.754 25098 2090 1 6 . 1 1 34 34 GLN H H 34 9.025 9.025 8.479 0.546 25098 2091 1 6 . 1 1 35 35 LYS N N 35 126.662 126.662 123.522 3.140 25098 2092 1 6 . 1 1 35 35 LYS HA H 35 4.441 4.441 4.255 0.186 25098 2093 1 6 . 1 1 35 35 LYS CA C 35 54.126 54.126 54.183 -0.057 25098 2094 1 6 . 1 1 35 35 LYS CB C 35 31.475 31.475 32.663 -1.188 25098 2095 1 6 . 1 1 35 35 LYS H H 35 8.479 8.479 8.561 -0.082 25098 2096 1 6 . 1 1 36 36 ASN N N 36 118.026 118.026 119.318 -1.292 25098 2097 1 6 . 1 1 36 36 ASN HA H 36 4.611 4.611 4.552 0.059 25098 2098 1 6 . 1 1 36 36 ASN CA C 36 53.478 53.478 53.263 0.215 25098 2099 1 6 . 1 1 36 36 ASN CB C 36 36.839 36.839 36.565 0.274 25098 2100 1 6 . 1 1 36 36 ASN H H 36 8.062 8.062 8.211 -0.149 25098 2101 1 6 . 1 1 37 37 GLY N N 37 111.719 111.719 109.266 2.453 25098 2102 1 6 . 1 1 37 37 GLY CA C 37 45.230 45.230 45.594 -0.364 25098 2103 1 6 . 1 1 37 37 GLY H H 37 8.285 8.285 8.133 0.152 25098 2104 1 6 . 1 1 38 38 TYR N N 38 114.733 114.733 114.557 0.176 25098 2105 1 6 . 1 1 38 38 TYR HA H 38 5.107 5.107 5.281 -0.174 25098 2106 1 6 . 1 1 38 38 TYR CA C 38 55.398 55.398 55.224 0.174 25098 2107 1 6 . 1 1 38 38 TYR CB C 38 39.246 39.246 40.240 -0.994 25098 2108 1 6 . 1 1 38 38 TYR H H 38 7.158 7.158 7.213 -0.055 25098 2109 1 6 . 1 1 39 39 GLN N N 39 117.964 117.964 117.173 0.791 25098 2110 1 6 . 1 1 39 39 GLN HA H 39 5.472 5.472 5.062 0.410 25098 2111 1 6 . 1 1 39 39 GLN CA C 39 52.396 52.396 53.797 -1.401 25098 2112 1 6 . 1 1 39 39 GLN CB C 39 30.812 30.812 32.580 -1.768 25098 2113 1 6 . 1 1 39 39 GLN H H 39 9.401 9.401 8.926 0.475 25098 2114 1 6 . 1 1 40 40 GLU N N 40 123.527 123.527 121.222 2.305 25098 2115 1 6 . 1 1 40 40 GLU HA H 40 5.809 5.809 5.586 0.223 25098 2116 1 6 . 1 1 40 40 GLU CA C 40 54.574 54.574 54.761 -0.187 25098 2117 1 6 . 1 1 40 40 GLU CB C 40 35.999 35.999 34.454 1.545 25098 2118 1 6 . 1 1 40 40 GLU H H 40 9.027 9.027 8.882 0.145 25098 2119 1 6 . 1 1 41 41 ILE N N 41 124.884 124.884 122.610 2.274 25098 2120 1 6 . 1 1 41 41 ILE HA H 41 4.686 4.686 4.524 0.162 25098 2121 1 6 . 1 1 41 41 ILE CA C 41 59.126 59.126 60.286 -1.160 25098 2122 1 6 . 1 1 41 41 ILE CB C 41 42.658 42.658 42.056 0.602 25098 2123 1 6 . 1 1 41 41 ILE H H 41 8.503 8.503 8.226 0.277 25098 2124 1 6 . 1 1 42 42 ARG N N 42 127.316 127.316 128.968 -1.652 25098 2125 1 6 . 1 1 42 42 ARG HA H 42 5.136 5.136 4.550 0.586 25098 2126 1 6 . 1 1 42 42 ARG CA C 42 54.461 54.461 56.139 -1.678 25098 2127 1 6 . 1 1 42 42 ARG CB C 42 32.141 32.141 30.418 1.723 25098 2128 1 6 . 1 1 42 42 ARG H H 42 7.942 7.942 8.647 -0.705 25098 2129 1 6 . 1 1 43 43 VAL N N 43 126.060 126.060 127.156 -1.096 25098 2130 1 6 . 1 1 43 43 VAL HA H 43 4.357 4.357 4.304 0.053 25098 2131 1 6 . 1 1 43 43 VAL CA C 43 61.020 61.020 60.057 0.963 25098 2132 1 6 . 1 1 43 43 VAL CB C 43 34.375 34.375 32.055 2.320 25098 2133 1 6 . 1 1 43 43 VAL H H 43 9.158 9.158 8.985 0.173 25098 2134 1 6 . 1 1 44 44 GLU N N 44 127.592 127.592 129.244 -1.652 25098 2135 1 6 . 1 1 44 44 GLU HA H 44 4.782 4.782 4.479 0.303 25098 2136 1 6 . 1 1 44 44 GLU CA C 44 55.944 55.944 56.538 -0.594 25098 2137 1 6 . 1 1 44 44 GLU CB C 44 31.779 31.779 30.105 1.675 25098 2138 1 6 . 1 1 44 44 GLU H H 44 9.086 9.086 8.874 0.212 25098 2139 1 6 . 1 1 45 45 VAL N N 45 126.323 126.323 128.832 -2.509 25098 2140 1 6 . 1 1 45 45 VAL HA H 45 4.910 4.910 4.762 0.148 25098 2141 1 6 . 1 1 45 45 VAL CA C 45 61.122 61.122 62.294 -1.172 25098 2142 1 6 . 1 1 45 45 VAL CB C 45 31.501 31.501 32.199 -0.698 25098 2143 1 6 . 1 1 45 45 VAL H H 45 8.617 8.617 9.128 -0.511 25098 2144 1 6 . 1 1 46 46 MET N N 46 127.658 127.658 124.142 3.516 25098 2145 1 6 . 1 1 46 46 MET HA H 46 4.755 4.755 4.876 -0.121 25098 2146 1 6 . 1 1 46 46 MET CA C 46 55.999 55.999 54.322 1.677 25098 2147 1 6 . 1 1 46 46 MET CB C 46 32.530 32.530 33.281 -0.750 25098 2148 1 6 . 1 1 46 46 MET H H 46 8.319 8.319 8.038 0.281 25098 2149 1 6 . 1 1 47 47 GLY N N 47 119.231 119.231 108.375 10.856 25098 2150 1 6 . 1 1 47 47 GLY CA C 47 46.863 46.863 45.534 1.329 25098 2151 1 6 . 1 1 47 47 GLY H H 47 10.065 10.065 8.451 1.614 25098 2152 1 6 . 1 1 48 48 GLY N N 48 102.924 102.924 105.466 -2.542 25098 2153 1 6 . 1 1 48 48 GLY CA C 48 43.176 43.176 44.085 -0.909 25098 2154 1 6 . 1 1 48 48 GLY H H 48 6.639 6.639 7.495 -0.856 25098 2155 1 6 . 1 1 49 49 TYR N N 49 120.115 120.115 119.144 0.971 25098 2156 1 6 . 1 1 49 49 TYR HA H 49 5.267 5.267 5.032 0.235 25098 2157 1 6 . 1 1 49 49 TYR CA C 49 56.991 56.991 57.422 -0.431 25098 2158 1 6 . 1 1 49 49 TYR CB C 49 40.490 40.490 38.730 1.760 25098 2159 1 6 . 1 1 49 49 TYR H H 49 8.364 8.364 8.494 -0.130 25098 2160 1 6 . 1 1 50 50 THR N N 50 117.545 117.545 119.014 -1.469 25098 2161 1 6 . 1 1 50 50 THR HA H 50 4.742 4.742 4.392 0.350 25098 2162 1 6 . 1 1 50 50 THR CA C 50 59.224 59.224 64.787 -5.563 25098 2163 1 6 . 1 1 50 50 THR CB C 50 71.576 71.576 67.589 3.987 25098 2164 1 6 . 1 1 50 50 THR H H 50 8.574 8.574 8.372 0.202 25098 2165 1 6 . 1 1 51 51 PRO HA H 51 4.928 4.928 4.532 0.396 25098 2166 1 6 . 1 1 51 51 PRO CA C 51 63.206 63.206 63.002 0.204 25098 2167 1 6 . 1 1 51 51 PRO CB C 51 34.946 34.946 31.001 3.945 25098 2168 1 6 . 1 1 52 52 GLU N N 52 114.661 114.661 121.290 -6.629 25098 2169 1 6 . 1 1 52 52 GLU HA H 52 4.468 4.468 4.049 0.419 25098 2170 1 6 . 1 1 52 52 GLU CA C 52 55.828 55.828 59.049 -3.221 25098 2171 1 6 . 1 1 52 52 GLU CB C 52 30.239 30.239 29.886 0.353 25098 2172 1 6 . 1 1 52 52 GLU H H 52 8.351 8.351 8.449 -0.098 25098 2173 1 6 . 1 1 53 53 LEU N N 53 123.273 123.273 116.379 6.894 25098 2174 1 6 . 1 1 53 53 LEU HA H 53 5.504 5.504 5.554 -0.050 25098 2175 1 6 . 1 1 53 53 LEU CA C 53 54.005 54.005 52.239 1.766 25098 2176 1 6 . 1 1 53 53 LEU CB C 53 44.276 44.276 44.119 0.157 25098 2177 1 6 . 1 1 53 53 LEU H H 53 7.476 7.476 7.350 0.126 25098 2178 1 6 . 1 1 54 54 ILE N N 54 121.159 121.159 120.333 0.826 25098 2179 1 6 . 1 1 54 54 ILE HA H 54 5.238 5.238 5.303 -0.065 25098 2180 1 6 . 1 1 54 54 ILE CA C 54 59.006 59.006 59.157 -0.151 25098 2181 1 6 . 1 1 54 54 ILE CB C 54 41.979 41.979 39.358 2.621 25098 2182 1 6 . 1 1 54 54 ILE H H 54 8.732 8.732 9.180 -0.448 25098 2183 1 6 . 1 1 55 55 VAL N N 55 123.295 123.295 126.480 -3.185 25098 2184 1 6 . 1 1 55 55 VAL HA H 55 5.138 5.138 5.006 0.132 25098 2185 1 6 . 1 1 55 55 VAL CA C 55 61.216 61.216 60.859 0.357 25098 2186 1 6 . 1 1 55 55 VAL CB C 55 33.376 33.376 31.799 1.577 25098 2187 1 6 . 1 1 55 55 VAL H H 55 8.456 8.456 8.744 -0.288 25098 2188 1 6 . 1 1 56 56 LEU N N 56 129.681 129.681 127.169 2.512 25098 2189 1 6 . 1 1 56 56 LEU HA H 56 4.637 4.637 5.094 -0.457 25098 2190 1 6 . 1 1 56 56 LEU CA C 56 53.044 53.044 53.285 -0.241 25098 2191 1 6 . 1 1 56 56 LEU CB C 56 45.712 45.712 46.773 -1.061 25098 2192 1 6 . 1 1 56 56 LEU H H 56 9.646 9.646 9.340 0.306 25098 2193 1 6 . 1 1 57 57 LYS N N 57 121.874 121.874 119.835 2.039 25098 2194 1 6 . 1 1 57 57 LYS HA H 57 4.815 4.815 4.744 0.071 25098 2195 1 6 . 1 1 57 57 LYS CA C 57 55.095 55.095 55.297 -0.202 25098 2196 1 6 . 1 1 57 57 LYS CB C 57 33.701 33.701 34.569 -0.868 25098 2197 1 6 . 1 1 57 57 LYS H H 57 9.619 9.619 8.924 0.695 25098 2198 1 6 . 1 1 58 58 LYS N N 58 124.865 124.865 121.150 3.715 25098 2199 1 6 . 1 1 58 58 LYS HA H 58 3.714 3.714 4.567 -0.853 25098 2200 1 6 . 1 1 58 58 LYS CA C 58 57.532 57.532 55.591 1.941 25098 2201 1 6 . 1 1 58 58 LYS CB C 58 33.246 33.246 33.903 -0.657 25098 2202 1 6 . 1 1 58 58 LYS H H 58 8.793 8.793 7.919 0.874 25098 2203 1 6 . 1 1 59 59 SER N N 59 113.482 113.482 117.784 -4.302 25098 2204 1 6 . 1 1 59 59 SER HA H 59 4.084 4.084 4.080 0.004 25098 2205 1 6 . 1 1 59 59 SER CA C 59 61.005 61.005 59.810 1.195 25098 2206 1 6 . 1 1 59 59 SER CB C 59 60.917 60.917 62.600 -1.683 25098 2207 1 6 . 1 1 59 59 SER H H 59 8.946 8.946 9.070 -0.124 25098 2208 1 6 . 1 1 60 60 VAL N N 60 123.081 123.081 120.941 2.140 25098 2209 1 6 . 1 1 60 60 VAL HA H 60 4.448 4.448 4.581 -0.133 25098 2210 1 6 . 1 1 60 60 VAL CA C 60 59.101 59.101 58.486 0.615 25098 2211 1 6 . 1 1 60 60 VAL CB C 60 33.818 33.818 34.716 -0.898 25098 2212 1 6 . 1 1 60 60 VAL H H 60 6.974 6.974 7.468 -0.494 25098 2213 1 6 . 1 1 61 61 PRO HA H 61 4.405 4.405 4.573 -0.168 25098 2214 1 6 . 1 1 61 61 PRO CA C 61 64.752 64.752 63.046 1.706 25098 2215 1 6 . 1 1 61 61 PRO CB C 61 32.273 32.273 31.130 1.143 25098 2216 1 6 . 1 1 62 62 ALA N N 62 124.881 124.881 126.619 -1.738 25098 2217 1 6 . 1 1 62 62 ALA HA H 62 5.452 5.452 5.265 0.187 25098 2218 1 6 . 1 1 62 62 ALA CA C 62 49.746 49.746 50.212 -0.466 25098 2219 1 6 . 1 1 62 62 ALA CB C 62 22.483 22.483 22.714 -0.231 25098 2220 1 6 . 1 1 62 62 ALA H H 62 9.244 9.244 9.128 0.116 25098 2221 1 6 . 1 1 63 63 ARG N N 63 122.869 122.869 122.351 0.518 25098 2222 1 6 . 1 1 63 63 ARG HA H 63 4.498 4.498 5.434 -0.936 25098 2223 1 6 . 1 1 63 63 ARG CA C 63 55.022 55.022 53.534 1.488 25098 2224 1 6 . 1 1 63 63 ARG CB C 63 31.637 31.637 32.851 -1.214 25098 2225 1 6 . 1 1 63 63 ARG H H 63 8.858 8.858 9.028 -0.170 25098 2226 1 6 . 1 1 64 64 ILE N N 64 125.797 125.797 125.386 0.411 25098 2227 1 6 . 1 1 64 64 ILE HA H 64 4.367 4.367 4.150 0.217 25098 2228 1 6 . 1 1 64 64 ILE CA C 64 60.028 60.028 58.832 1.196 25098 2229 1 6 . 1 1 64 64 ILE CB C 64 37.499 37.499 37.177 0.322 25098 2230 1 6 . 1 1 64 64 ILE H H 64 9.033 9.033 8.917 0.116 25098 2231 1 6 . 1 1 65 65 VAL N N 65 127.998 127.998 128.281 -0.283 25098 2232 1 6 . 1 1 65 65 VAL HA H 65 4.122 4.122 4.258 -0.136 25098 2233 1 6 . 1 1 65 65 VAL CA C 65 61.697 61.697 61.112 0.584 25098 2234 1 6 . 1 1 65 65 VAL CB C 65 32.480 32.480 30.529 1.951 25098 2235 1 6 . 1 1 65 65 VAL H H 65 8.800 8.800 8.853 -0.053 25098 2236 1 6 . 1 1 66 66 PHE N N 66 126.431 126.431 128.083 -1.652 25098 2237 1 6 . 1 1 66 66 PHE HA H 66 5.190 5.190 5.149 0.041 25098 2238 1 6 . 1 1 66 66 PHE CA C 66 58.012 58.012 57.192 0.820 25098 2239 1 6 . 1 1 66 66 PHE CB C 66 41.731 41.731 40.116 1.615 25098 2240 1 6 . 1 1 66 66 PHE H H 66 9.536 9.536 9.511 0.025 25098 2241 1 6 . 1 1 67 67 ASP N N 67 123.469 123.469 125.622 -2.153 25098 2242 1 6 . 1 1 67 67 ASP HA H 67 4.986 4.986 4.992 -0.006 25098 2243 1 6 . 1 1 67 67 ASP CA C 67 52.158 52.158 53.370 -1.212 25098 2244 1 6 . 1 1 67 67 ASP CB C 67 42.083 42.083 42.627 -0.544 25098 2245 1 6 . 1 1 67 67 ASP H H 67 8.806 8.806 8.963 -0.157 25098 2246 1 6 . 1 1 68 68 ARG N N 68 124.864 124.864 128.642 -3.778 25098 2247 1 6 . 1 1 68 68 ARG HA H 68 4.760 4.760 4.309 0.451 25098 2248 1 6 . 1 1 68 68 ARG CA C 68 58.018 58.018 56.446 1.572 25098 2249 1 6 . 1 1 68 68 ARG CB C 68 30.605 30.605 29.976 0.629 25098 2250 1 6 . 1 1 68 68 ARG H H 68 8.598 8.598 8.048 0.550 25098 2251 1 6 . 1 1 69 69 LYS N N 69 126.910 126.910 127.043 -0.133 25098 2252 1 6 . 1 1 69 69 LYS HA H 69 4.662 4.662 4.408 0.254 25098 2253 1 6 . 1 1 69 69 LYS CA C 69 55.222 55.222 56.860 -1.638 25098 2254 1 6 . 1 1 69 69 LYS CB C 69 34.788 34.788 33.642 1.146 25098 2255 1 6 . 1 1 69 69 LYS H H 69 8.348 8.348 8.890 -0.542 25098 2256 1 6 . 1 1 70 70 ASP N N 70 119.420 119.420 119.333 0.087 25098 2257 1 6 . 1 1 70 70 ASP HA H 70 5.085 5.085 4.960 0.125 25098 2258 1 6 . 1 1 70 70 ASP CA C 70 49.872 49.872 51.082 -1.210 25098 2259 1 6 . 1 1 70 70 ASP CB C 70 45.194 45.194 42.651 2.543 25098 2260 1 6 . 1 1 70 70 ASP H H 70 6.675 6.675 7.899 -1.224 25098 2261 1 6 . 1 1 71 71 PRO HA H 71 4.589 4.589 4.524 0.065 25098 2262 1 6 . 1 1 71 71 PRO CA C 71 63.781 63.781 62.582 1.199 25098 2263 1 6 . 1 1 72 72 SER N N 72 121.578 121.578 118.603 2.975 25098 2264 1 6 . 1 1 72 72 SER HA H 72 4.462 4.462 4.524 -0.062 25098 2265 1 6 . 1 1 72 72 SER CA C 72 57.029 57.029 56.570 0.459 25098 2266 1 6 . 1 1 72 72 SER CB C 72 63.781 63.781 62.824 0.957 25098 2267 1 6 . 1 1 72 72 SER H H 72 8.624 8.624 7.727 0.897 25098 2268 1 6 . 1 1 73 73 PRO HA H 73 4.348 4.348 4.463 -0.115 25098 2269 1 6 . 1 1 73 73 PRO CA C 73 64.297 64.297 65.108 -0.811 25098 2270 1 6 . 1 1 74 74 CYS N N 74 114.456 114.456 113.244 1.212 25098 2271 1 6 . 1 1 74 74 CYS HA H 74 4.320 4.320 4.425 -0.105 25098 2272 1 6 . 1 1 74 74 CYS CA C 74 60.192 60.192 58.169 2.023 25098 2273 1 6 . 1 1 74 74 CYS CB C 74 27.035 27.035 26.358 0.677 25098 2274 1 6 . 1 1 74 74 CYS H H 74 8.010 8.010 8.204 -0.194 25098 2275 1 6 . 1 1 75 75 LEU N N 75 120.476 120.476 119.051 1.425 25098 2276 1 6 . 1 1 75 75 LEU HA H 75 4.546 4.546 4.425 0.121 25098 2277 1 6 . 1 1 75 75 LEU CA C 75 53.987 53.987 54.032 -0.046 25098 2278 1 6 . 1 1 75 75 LEU CB C 75 41.083 41.083 42.052 -0.969 25098 2279 1 6 . 1 1 75 75 LEU H H 75 7.629 7.629 7.343 0.286 25098 2280 1 6 . 1 1 76 76 ASP N N 76 117.861 117.861 119.236 -1.375 25098 2281 1 6 . 1 1 76 76 ASP HA H 76 4.466 4.466 4.432 0.034 25098 2282 1 6 . 1 1 76 76 ASP CB C 76 41.608 41.608 42.210 -0.602 25098 2283 1 6 . 1 1 76 76 ASP H H 76 7.465 7.465 7.370 0.095 25098 2284 1 6 . 1 1 77 77 GLN HA H 77 5.368 5.368 4.851 0.517 25098 2285 1 6 . 1 1 77 77 GLN CA C 77 53.830 53.830 54.588 -0.758 25098 2286 1 6 . 1 1 77 77 GLN CB C 77 33.290 33.290 31.867 1.423 25098 2287 1 6 . 1 1 78 78 ILE N N 78 123.134 123.134 125.789 -2.655 25098 2288 1 6 . 1 1 78 78 ILE HA H 78 4.893 4.893 4.390 0.503 25098 2289 1 6 . 1 1 78 78 ILE CA C 78 56.862 56.862 59.910 -3.048 25098 2290 1 6 . 1 1 78 78 ILE CB C 78 42.611 42.611 41.439 1.172 25098 2291 1 6 . 1 1 78 78 ILE H H 78 9.043 9.043 9.238 -0.195 25098 2292 1 6 . 1 1 79 79 VAL N N 79 125.068 125.068 129.029 -3.961 25098 2293 1 6 . 1 1 79 79 VAL HA H 79 4.911 4.911 5.380 -0.469 25098 2294 1 6 . 1 1 79 79 VAL CB C 79 35.336 35.336 35.548 -0.212 25098 2295 1 6 . 1 1 79 79 VAL H H 79 8.911 8.911 8.069 0.842 25098 2296 1 6 . 1 1 80 80 PHE N N 80 123.479 123.479 128.722 -5.243 25098 2297 1 6 . 1 1 80 80 PHE HA H 80 5.574 5.574 5.264 0.310 25098 2298 1 6 . 1 1 80 80 PHE CA C 80 53.684 53.684 55.703 -2.019 25098 2299 1 6 . 1 1 80 80 PHE CB C 80 39.905 39.905 39.315 0.591 25098 2300 1 6 . 1 1 80 80 PHE H H 80 8.628 8.628 9.598 -0.970 25098 2301 1 6 . 1 1 81 81 PRO HA H 81 4.427 4.427 4.407 0.020 25098 2302 1 6 . 1 1 81 81 PRO CA C 81 65.254 65.254 65.139 0.115 25098 2303 1 6 . 1 1 81 81 PRO CB C 81 32.319 32.319 31.564 0.755 25098 2304 1 6 . 1 1 82 82 ASP N N 82 114.119 114.119 116.781 -2.662 25098 2305 1 6 . 1 1 82 82 ASP HA H 82 4.484 4.484 4.761 -0.277 25098 2306 1 6 . 1 1 82 82 ASP CA C 82 55.569 55.569 55.463 0.106 25098 2307 1 6 . 1 1 82 82 ASP CB C 82 41.625 41.625 41.811 -0.186 25098 2308 1 6 . 1 1 82 82 ASP H H 82 8.692 8.692 8.573 0.119 25098 2309 1 6 . 1 1 83 83 PHE N N 83 113.198 113.198 118.660 -5.462 25098 2310 1 6 . 1 1 83 83 PHE HA H 83 4.618 4.618 4.727 -0.109 25098 2311 1 6 . 1 1 83 83 PHE CA C 83 57.454 57.454 58.654 -1.200 25098 2312 1 6 . 1 1 83 83 PHE CB C 83 41.445 41.445 40.857 0.588 25098 2313 1 6 . 1 1 83 83 PHE H H 83 7.434 7.434 7.805 -0.371 25098 2314 1 6 . 1 1 84 84 GLY N N 84 108.212 108.212 109.148 -0.936 25098 2315 1 6 . 1 1 84 84 GLY CA C 84 46.552 46.552 45.633 0.919 25098 2316 1 6 . 1 1 84 84 GLY H H 84 7.677 7.677 8.565 -0.888 25098 2317 1 6 . 1 1 85 85 VAL N N 85 117.875 117.875 122.188 -4.313 25098 2318 1 6 . 1 1 85 85 VAL HA H 85 4.270 4.270 4.162 0.108 25098 2319 1 6 . 1 1 85 85 VAL CA C 85 61.664 61.664 61.557 0.107 25098 2320 1 6 . 1 1 85 85 VAL CB C 85 34.286 34.286 33.476 0.810 25098 2321 1 6 . 1 1 85 85 VAL H H 85 7.075 7.075 7.451 -0.376 25098 2322 1 6 . 1 1 86 86 HIS N N 86 129.355 129.355 125.850 3.505 25098 2323 1 6 . 1 1 86 86 HIS HA H 86 5.204 5.204 5.589 -0.385 25098 2324 1 6 . 1 1 86 86 HIS CA C 86 55.513 55.513 53.201 2.312 25098 2325 1 6 . 1 1 86 86 HIS CB C 86 31.131 31.131 30.412 0.719 25098 2326 1 6 . 1 1 86 86 HIS H H 86 8.921 8.921 8.203 0.718 25098 2327 1 6 . 1 1 87 87 ALA N N 87 126.717 126.717 127.055 -0.338 25098 2328 1 6 . 1 1 87 87 ALA HA H 87 4.749 4.749 4.743 0.006 25098 2329 1 6 . 1 1 87 87 ALA CA C 87 50.886 50.886 50.762 0.124 25098 2330 1 6 . 1 1 87 87 ALA CB C 87 22.088 22.088 23.109 -1.021 25098 2331 1 6 . 1 1 87 87 ALA H H 87 8.799 8.799 9.083 -0.284 25098 2332 1 6 . 1 1 88 88 ASN N N 88 119.348 119.348 119.408 -0.060 25098 2333 1 6 . 1 1 88 88 ASN HA H 88 5.125 5.125 5.027 0.098 25098 2334 1 6 . 1 1 88 88 ASN CA C 88 51.796 51.796 52.197 -0.401 25098 2335 1 6 . 1 1 88 88 ASN CB C 88 39.015 39.015 40.026 -1.012 25098 2336 1 6 . 1 1 88 88 ASN H H 88 8.230 8.230 8.417 -0.187 25098 2337 1 6 . 1 1 89 89 LEU N N 89 122.766 122.766 125.755 -2.989 25098 2338 1 6 . 1 1 89 89 LEU HA H 89 4.440 4.440 4.694 -0.254 25098 2339 1 6 . 1 1 89 89 LEU CA C 89 50.791 50.791 51.715 -0.924 25098 2340 1 6 . 1 1 89 89 LEU CB C 89 42.662 42.662 42.781 -0.119 25098 2341 1 6 . 1 1 89 89 LEU H H 89 8.356 8.356 8.868 -0.512 25098 2342 1 6 . 1 1 90 90 PRO HA H 90 4.434 4.434 4.584 -0.150 25098 2343 1 6 . 1 1 90 90 PRO CA C 90 61.669 61.669 62.165 -0.496 25098 2344 1 6 . 1 1 91 91 MET N N 91 121.751 121.751 125.327 -3.576 25098 2345 1 6 . 1 1 91 91 MET HA H 91 4.144 4.144 4.184 -0.040 25098 2346 1 6 . 1 1 91 91 MET CA C 91 55.460 55.460 55.271 0.189 25098 2347 1 6 . 1 1 91 91 MET CB C 91 30.951 30.951 32.297 -1.345 25098 2348 1 6 . 1 1 91 91 MET H H 91 8.709 8.709 8.541 0.168 25098 2349 1 6 . 1 1 92 92 GLY N N 92 112.856 112.856 114.011 -1.155 25098 2350 1 6 . 1 1 92 92 GLY CA C 92 46.265 46.265 45.081 1.184 25098 2351 1 6 . 1 1 92 92 GLY H H 92 8.325 8.325 8.658 -0.333 25098 2352 1 6 . 1 1 93 93 GLU N N 93 116.930 116.930 118.574 -1.644 25098 2353 1 6 . 1 1 93 93 GLU HA H 93 4.747 4.747 4.763 -0.016 25098 2354 1 6 . 1 1 93 93 GLU CA C 93 54.151 54.151 54.715 -0.564 25098 2355 1 6 . 1 1 93 93 GLU CB C 93 33.784 33.784 33.123 0.661 25098 2356 1 6 . 1 1 93 93 GLU H H 93 7.331 7.331 7.838 -0.507 25098 2357 1 6 . 1 1 94 94 GLU N N 94 119.837 119.837 119.357 0.480 25098 2358 1 6 . 1 1 94 94 GLU HA H 94 5.103 5.103 5.245 -0.142 25098 2359 1 6 . 1 1 94 94 GLU CA C 94 55.340 55.340 55.299 0.041 25098 2360 1 6 . 1 1 94 94 GLU CB C 94 31.196 31.196 31.592 -0.396 25098 2361 1 6 . 1 1 94 94 GLU H H 94 8.418 8.418 8.664 -0.246 25098 2362 1 6 . 1 1 95 95 TYR N N 95 124.949 124.949 126.159 -1.210 25098 2363 1 6 . 1 1 95 95 TYR HA H 95 4.637 4.637 4.823 -0.186 25098 2364 1 6 . 1 1 95 95 TYR CA C 95 58.125 58.125 57.425 0.700 25098 2365 1 6 . 1 1 95 95 TYR CB C 95 43.144 43.144 41.817 1.327 25098 2366 1 6 . 1 1 95 95 TYR H H 95 9.059 9.059 9.178 -0.119 25098 2367 1 6 . 1 1 96 96 VAL N N 96 128.075 128.075 126.880 1.195 25098 2368 1 6 . 1 1 96 96 VAL HA H 96 4.440 4.440 4.998 -0.558 25098 2369 1 6 . 1 1 96 96 VAL CA C 96 61.772 61.772 60.340 1.432 25098 2370 1 6 . 1 1 96 96 VAL CB C 96 32.805 32.805 34.221 -1.416 25098 2371 1 6 . 1 1 96 96 VAL H H 96 7.795 7.795 8.283 -0.488 25098 2372 1 6 . 1 1 97 97 VAL N N 97 129.541 129.541 129.854 -0.313 25098 2373 1 6 . 1 1 97 97 VAL HA H 97 3.917 3.917 4.276 -0.359 25098 2374 1 6 . 1 1 97 97 VAL CA C 97 61.821 61.821 61.502 0.319 25098 2375 1 6 . 1 1 97 97 VAL CB C 97 33.313 33.313 33.611 -0.298 25098 2376 1 6 . 1 1 97 97 VAL H H 97 9.110 9.110 8.958 0.152 25098 2377 1 6 . 1 1 98 98 GLU N N 98 127.575 127.575 129.001 -1.426 25098 2378 1 6 . 1 1 98 98 GLU HA H 98 5.237 5.237 4.771 0.466 25098 2379 1 6 . 1 1 98 98 GLU CA C 98 54.576 54.576 56.215 -1.639 25098 2380 1 6 . 1 1 98 98 GLU CB C 98 30.995 30.995 30.309 0.686 25098 2381 1 6 . 1 1 98 98 GLU H H 98 8.166 8.166 8.665 -0.499 25098 2382 1 6 . 1 1 99 99 ILE N N 99 118.374 118.374 122.060 -3.686 25098 2383 1 6 . 1 1 99 99 ILE HA H 99 4.386 4.386 4.580 -0.194 25098 2384 1 6 . 1 1 99 99 ILE CA C 99 59.143 59.143 59.063 0.080 25098 2385 1 6 . 1 1 99 99 ILE CB C 99 43.580 43.580 41.910 1.670 25098 2386 1 6 . 1 1 99 99 ILE H H 99 7.881 7.881 8.919 -1.038 25098 2387 1 6 . 1 1 100 100 THR N N 100 119.619 119.619 117.840 1.779 25098 2388 1 6 . 1 1 100 100 THR HA H 100 4.717 4.717 4.804 -0.087 25098 2389 1 6 . 1 1 100 100 THR CA C 100 58.983 58.983 58.838 0.145 25098 2390 1 6 . 1 1 100 100 THR CB C 100 69.121 69.121 69.152 -0.031 25098 2391 1 6 . 1 1 100 100 THR H H 100 8.885 8.885 8.326 0.558 25098 2392 1 6 . 1 1 101 101 PRO HA H 101 4.620 4.620 4.647 -0.027 25098 2393 1 6 . 1 1 101 101 PRO CA C 101 62.096 62.096 62.967 -0.871 25098 2394 1 6 . 1 1 101 101 PRO CB C 101 32.296 32.296 31.724 0.572 25098 2395 1 6 . 1 1 102 102 GLU N N 102 124.589 124.589 124.118 0.471 25098 2396 1 6 . 1 1 102 102 GLU HA H 102 4.379 4.379 4.352 0.027 25098 2397 1 6 . 1 1 102 102 GLU CA C 102 56.649 56.649 57.397 -0.748 25098 2398 1 6 . 1 1 102 102 GLU CB C 102 30.740 30.740 30.475 0.265 25098 2399 1 6 . 1 1 102 102 GLU H H 102 8.574 8.574 8.355 0.219 25098 2400 1 6 . 1 1 103 103 GLN N N 103 118.304 118.304 117.382 0.922 25098 2401 1 6 . 1 1 103 103 GLN HA H 103 4.662 4.662 4.607 0.055 25098 2402 1 6 . 1 1 103 103 GLN CA C 103 53.956 53.956 54.567 -0.611 25098 2403 1 6 . 1 1 103 103 GLN CB C 103 31.762 31.762 32.149 -0.387 25098 2404 1 6 . 1 1 103 103 GLN H H 103 8.518 8.518 7.715 0.803 25098 2405 1 6 . 1 1 104 104 ALA N N 104 124.603 124.603 126.375 -1.772 25098 2406 1 6 . 1 1 104 104 ALA HA H 104 4.195 4.195 4.580 -0.385 25098 2407 1 6 . 1 1 104 104 ALA CA C 104 51.886 51.886 52.038 -0.152 25098 2408 1 6 . 1 1 104 104 ALA CB C 104 19.377 19.377 19.373 0.004 25098 2409 1 6 . 1 1 104 104 ALA H H 104 8.575 8.575 8.506 0.069 25098 2410 1 6 . 1 1 105 105 GLY N N 105 108.486 108.486 111.895 -3.409 25098 2411 1 6 . 1 1 105 105 GLY CA C 105 44.726 44.726 45.306 -0.580 25098 2412 1 6 . 1 1 105 105 GLY H H 105 8.710 8.710 8.164 0.546 25098 2413 1 6 . 1 1 106 106 GLU N N 106 118.462 118.462 120.608 -2.146 25098 2414 1 6 . 1 1 106 106 GLU HA H 106 5.098 5.098 5.280 -0.182 25098 2415 1 6 . 1 1 106 106 GLU CA C 106 54.382 54.382 55.682 -1.300 25098 2416 1 6 . 1 1 106 106 GLU CB C 106 31.878 31.878 31.255 0.623 25098 2417 1 6 . 1 1 106 106 GLU H H 106 7.620 7.620 8.202 -0.582 25098 2418 1 6 . 1 1 107 107 PHE N N 107 123.388 123.388 124.993 -1.605 25098 2419 1 6 . 1 1 107 107 PHE HA H 107 4.999 4.999 5.224 -0.225 25098 2420 1 6 . 1 1 107 107 PHE CA C 107 56.623 56.623 56.620 0.003 25098 2421 1 6 . 1 1 107 107 PHE CB C 107 43.035 43.035 43.291 -0.256 25098 2422 1 6 . 1 1 107 107 PHE H H 107 9.381 9.381 9.535 -0.154 25098 2423 1 6 . 1 1 108 108 SER N N 108 117.621 117.621 114.767 2.854 25098 2424 1 6 . 1 1 108 108 SER HA H 108 5.137 5.137 5.144 -0.007 25098 2425 1 6 . 1 1 108 108 SER CA C 108 58.465 58.465 57.458 1.007 25098 2426 1 6 . 1 1 108 108 SER CB C 108 65.864 65.864 66.348 -0.484 25098 2427 1 6 . 1 1 108 108 SER H H 108 8.846 8.846 9.104 -0.258 25098 2428 1 6 . 1 1 109 109 PHE N N 109 116.119 116.119 115.212 0.907 25098 2429 1 6 . 1 1 109 109 PHE HA H 109 5.154 5.154 4.807 0.347 25098 2430 1 6 . 1 1 109 109 PHE CA C 109 55.800 55.800 56.477 -0.677 25098 2431 1 6 . 1 1 109 109 PHE CB C 109 39.858 39.858 40.776 -0.918 25098 2432 1 6 . 1 1 109 109 PHE H H 109 7.646 7.646 8.231 -0.585 25098 2433 1 6 . 1 1 110 110 ALA N N 110 121.615 121.615 122.032 -0.417 25098 2434 1 6 . 1 1 110 110 ALA HA H 110 5.258 5.258 4.690 0.568 25098 2435 1 6 . 1 1 110 110 ALA CA C 110 50.940 50.940 51.755 -0.816 25098 2436 1 6 . 1 1 110 110 ALA CB C 110 24.724 24.724 22.558 2.167 25098 2437 1 6 . 1 1 110 110 ALA H H 110 8.826 8.826 8.298 0.528 25098 2438 1 6 . 1 1 111 111 CYS N N 111 114.162 114.162 118.853 -4.691 25098 2439 1 6 . 1 1 111 111 CYS HA H 111 5.372 5.372 4.817 0.555 25098 2440 1 6 . 1 1 111 111 CYS CA C 111 55.651 55.651 57.679 -2.028 25098 2441 1 6 . 1 1 111 111 CYS CB C 111 33.551 33.551 29.351 4.200 25098 2442 1 6 . 1 1 111 111 CYS H H 111 7.820 7.820 8.637 -0.817 25098 2443 1 6 . 1 1 112 112 GLY N N 112 108.348 108.348 116.743 -8.395 25098 2444 1 6 . 1 1 112 112 GLY H H 112 8.277 8.277 8.958 -0.681 25098 2445 1 6 . 1 1 117 117 HIS N N 117 117.324 117.324 120.940 -3.616 25098 2446 1 6 . 1 1 117 117 HIS HA H 117 4.540 4.540 4.724 -0.184 25098 2447 1 6 . 1 1 117 117 HIS CA C 117 56.897 56.897 56.010 0.887 25098 2448 1 6 . 1 1 117 117 HIS CB C 117 29.675 29.675 32.162 -2.487 25098 2449 1 6 . 1 1 117 117 HIS H H 117 8.670 8.670 8.534 0.136 25098 2450 1 6 . 1 1 118 118 GLY N N 118 109.716 109.716 110.433 -0.717 25098 2451 1 6 . 1 1 118 118 GLY CA C 118 43.143 43.143 44.512 -1.369 25098 2452 1 6 . 1 1 118 118 GLY H H 118 8.350 8.350 8.013 0.337 25098 2453 1 6 . 1 1 119 119 LYS N N 119 120.631 120.631 125.606 -4.975 25098 2454 1 6 . 1 1 119 119 LYS HA H 119 4.949 4.949 5.074 -0.125 25098 2455 1 6 . 1 1 119 119 LYS CA C 119 55.192 55.192 54.199 0.993 25098 2456 1 6 . 1 1 119 119 LYS CB C 119 36.931 36.931 37.193 -0.262 25098 2457 1 6 . 1 1 119 119 LYS H H 119 8.561 8.561 9.006 -0.445 25098 2458 1 6 . 1 1 120 120 MET N N 120 123.525 123.525 123.074 0.451 25098 2459 1 6 . 1 1 120 120 MET HA H 120 5.565 5.565 5.340 0.225 25098 2460 1 6 . 1 1 120 120 MET CA C 120 53.142 53.142 54.682 -1.540 25098 2461 1 6 . 1 1 120 120 MET CB C 120 37.448 37.448 37.614 -0.166 25098 2462 1 6 . 1 1 120 120 MET H H 120 9.329 9.329 9.184 0.145 25098 2463 1 6 . 1 1 121 121 ILE N N 121 127.707 127.707 126.338 1.369 25098 2464 1 6 . 1 1 121 121 ILE HA H 121 4.890 4.890 5.048 -0.158 25098 2465 1 6 . 1 1 121 121 ILE CA C 121 60.048 60.048 60.423 -0.375 25098 2466 1 6 . 1 1 121 121 ILE CB C 121 39.806 39.806 40.554 -0.748 25098 2467 1 6 . 1 1 121 121 ILE H H 121 9.471 9.471 9.336 0.135 25098 2468 1 6 . 1 1 122 122 VAL N N 122 127.738 127.738 128.183 -0.445 25098 2469 1 6 . 1 1 122 122 VAL HA H 122 4.994 4.994 5.019 -0.025 25098 2470 1 6 . 1 1 122 122 VAL CA C 122 60.618 60.618 60.512 0.106 25098 2471 1 6 . 1 1 122 122 VAL CB C 122 33.297 33.297 32.037 1.260 25098 2472 1 6 . 1 1 122 122 VAL H H 122 9.350 9.350 9.116 0.234 25098 2473 1 7 . 1 1 28 28 MET N N 28 119.966 119.966 121.919 -1.953 25098 2474 1 7 . 1 1 28 28 MET H H 28 8.438 8.438 8.025 0.413 25098 2475 1 7 . 1 1 29 29 GLY N N 29 109.326 109.326 111.781 -2.455 25098 2476 1 7 . 1 1 29 29 GLY CA C 29 44.803 44.803 44.538 0.265 25098 2477 1 7 . 1 1 29 29 GLY H H 29 8.343 8.343 7.898 0.445 25098 2478 1 7 . 1 1 30 30 GLN N N 30 121.171 121.171 120.923 0.248 25098 2479 1 7 . 1 1 30 30 GLN HA H 30 4.548 4.548 4.670 -0.122 25098 2480 1 7 . 1 1 30 30 GLN CA C 30 54.981 54.981 55.325 -0.344 25098 2481 1 7 . 1 1 30 30 GLN CB C 30 30.824 30.824 32.855 -2.031 25098 2482 1 7 . 1 1 30 30 GLN H H 30 8.174 8.174 8.746 -0.572 25098 2483 1 7 . 1 1 31 31 LYS N N 31 125.160 125.160 126.005 -0.845 25098 2484 1 7 . 1 1 31 31 LYS HA H 31 4.829 4.829 4.347 0.482 25098 2485 1 7 . 1 1 31 31 LYS CA C 31 55.952 55.952 55.974 -0.022 25098 2486 1 7 . 1 1 31 31 LYS CB C 31 33.322 33.322 33.445 -0.123 25098 2487 1 7 . 1 1 31 31 LYS H H 31 8.713 8.713 8.742 -0.029 25098 2488 1 7 . 1 1 32 32 ALA N N 32 123.842 123.842 129.263 -5.421 25098 2489 1 7 . 1 1 32 32 ALA HA H 32 4.125 4.125 4.272 -0.147 25098 2490 1 7 . 1 1 32 32 ALA CA C 32 52.301 52.301 51.925 0.376 25098 2491 1 7 . 1 1 32 32 ALA CB C 32 18.956 18.956 20.134 -1.178 25098 2492 1 7 . 1 1 32 32 ALA H H 32 8.152 8.152 8.031 0.121 25098 2493 1 7 . 1 1 33 33 GLN N N 33 121.807 121.807 120.498 1.309 25098 2494 1 7 . 1 1 33 33 GLN HA H 33 4.380 4.380 4.323 0.057 25098 2495 1 7 . 1 1 33 33 GLN CA C 33 55.299 55.299 55.353 -0.055 25098 2496 1 7 . 1 1 33 33 GLN CB C 33 29.835 29.835 29.684 0.151 25098 2497 1 7 . 1 1 33 33 GLN H H 33 8.808 8.808 8.476 0.332 25098 2498 1 7 . 1 1 34 34 GLN N N 34 124.320 124.320 123.763 0.557 25098 2499 1 7 . 1 1 34 34 GLN HA H 34 4.212 4.212 4.339 -0.127 25098 2500 1 7 . 1 1 34 34 GLN CA C 34 55.368 55.368 55.489 -0.121 25098 2501 1 7 . 1 1 34 34 GLN CB C 34 27.615 27.615 29.429 -1.814 25098 2502 1 7 . 1 1 34 34 GLN H H 34 9.025 9.025 8.514 0.511 25098 2503 1 7 . 1 1 35 35 LYS N N 35 126.662 126.662 123.584 3.078 25098 2504 1 7 . 1 1 35 35 LYS HA H 35 4.441 4.441 4.264 0.177 25098 2505 1 7 . 1 1 35 35 LYS CA C 35 54.126 54.126 54.359 -0.233 25098 2506 1 7 . 1 1 35 35 LYS CB C 35 31.475 31.475 32.813 -1.338 25098 2507 1 7 . 1 1 35 35 LYS H H 35 8.479 8.479 8.595 -0.117 25098 2508 1 7 . 1 1 36 36 ASN N N 36 118.026 118.026 118.586 -0.560 25098 2509 1 7 . 1 1 36 36 ASN HA H 36 4.611 4.611 4.532 0.079 25098 2510 1 7 . 1 1 36 36 ASN CA C 36 53.478 53.478 53.619 -0.141 25098 2511 1 7 . 1 1 36 36 ASN CB C 36 36.839 36.839 37.275 -0.436 25098 2512 1 7 . 1 1 36 36 ASN H H 36 8.062 8.062 8.164 -0.102 25098 2513 1 7 . 1 1 37 37 GLY N N 37 111.719 111.719 108.569 3.150 25098 2514 1 7 . 1 1 37 37 GLY CA C 37 45.230 45.230 45.538 -0.308 25098 2515 1 7 . 1 1 37 37 GLY H H 37 8.285 8.285 8.180 0.105 25098 2516 1 7 . 1 1 38 38 TYR N N 38 114.733 114.733 114.229 0.504 25098 2517 1 7 . 1 1 38 38 TYR HA H 38 5.107 5.107 5.307 -0.200 25098 2518 1 7 . 1 1 38 38 TYR CA C 38 55.398 55.398 55.194 0.204 25098 2519 1 7 . 1 1 38 38 TYR CB C 38 39.246 39.246 40.275 -1.029 25098 2520 1 7 . 1 1 38 38 TYR H H 38 7.158 7.158 7.182 -0.024 25098 2521 1 7 . 1 1 39 39 GLN N N 39 117.964 117.964 117.682 0.282 25098 2522 1 7 . 1 1 39 39 GLN HA H 39 5.472 5.472 5.118 0.354 25098 2523 1 7 . 1 1 39 39 GLN CA C 39 52.396 52.396 53.880 -1.484 25098 2524 1 7 . 1 1 39 39 GLN CB C 39 30.812 30.812 32.411 -1.599 25098 2525 1 7 . 1 1 39 39 GLN H H 39 9.401 9.401 8.982 0.419 25098 2526 1 7 . 1 1 40 40 GLU N N 40 123.527 123.527 121.196 2.331 25098 2527 1 7 . 1 1 40 40 GLU HA H 40 5.809 5.809 5.594 0.215 25098 2528 1 7 . 1 1 40 40 GLU CA C 40 54.574 54.574 54.834 -0.260 25098 2529 1 7 . 1 1 40 40 GLU CB C 40 35.999 35.999 34.463 1.536 25098 2530 1 7 . 1 1 40 40 GLU H H 40 9.027 9.027 8.925 0.102 25098 2531 1 7 . 1 1 41 41 ILE N N 41 124.884 124.884 122.537 2.347 25098 2532 1 7 . 1 1 41 41 ILE HA H 41 4.686 4.686 4.530 0.156 25098 2533 1 7 . 1 1 41 41 ILE CA C 41 59.126 59.126 60.442 -1.316 25098 2534 1 7 . 1 1 41 41 ILE CB C 41 42.658 42.658 42.089 0.569 25098 2535 1 7 . 1 1 41 41 ILE H H 41 8.503 8.503 8.253 0.250 25098 2536 1 7 . 1 1 42 42 ARG N N 42 127.316 127.316 129.217 -1.901 25098 2537 1 7 . 1 1 42 42 ARG HA H 42 5.136 5.136 4.557 0.579 25098 2538 1 7 . 1 1 42 42 ARG CA C 42 54.461 54.461 55.868 -1.407 25098 2539 1 7 . 1 1 42 42 ARG CB C 42 32.141 32.141 30.421 1.720 25098 2540 1 7 . 1 1 42 42 ARG H H 42 7.942 7.942 8.660 -0.718 25098 2541 1 7 . 1 1 43 43 VAL N N 43 126.060 126.060 126.855 -0.795 25098 2542 1 7 . 1 1 43 43 VAL HA H 43 4.357 4.357 4.315 0.042 25098 2543 1 7 . 1 1 43 43 VAL CA C 43 61.020 61.020 61.671 -0.651 25098 2544 1 7 . 1 1 43 43 VAL CB C 43 34.375 34.375 32.887 1.488 25098 2545 1 7 . 1 1 43 43 VAL H H 43 9.158 9.158 8.942 0.216 25098 2546 1 7 . 1 1 44 44 GLU N N 44 127.592 127.592 129.093 -1.501 25098 2547 1 7 . 1 1 44 44 GLU HA H 44 4.782 4.782 4.344 0.438 25098 2548 1 7 . 1 1 44 44 GLU CA C 44 55.944 55.944 56.710 -0.766 25098 2549 1 7 . 1 1 44 44 GLU CB C 44 31.779 31.779 30.140 1.639 25098 2550 1 7 . 1 1 44 44 GLU H H 44 9.086 9.086 8.977 0.109 25098 2551 1 7 . 1 1 45 45 VAL N N 45 126.323 126.323 127.311 -0.988 25098 2552 1 7 . 1 1 45 45 VAL HA H 45 4.910 4.910 4.642 0.268 25098 2553 1 7 . 1 1 45 45 VAL CA C 45 61.122 61.122 61.215 -0.093 25098 2554 1 7 . 1 1 45 45 VAL CB C 45 31.501 31.501 32.081 -0.580 25098 2555 1 7 . 1 1 45 45 VAL H H 45 8.617 8.617 8.980 -0.363 25098 2556 1 7 . 1 1 46 46 MET N N 46 127.658 127.658 124.207 3.451 25098 2557 1 7 . 1 1 46 46 MET HA H 46 4.755 4.755 4.826 -0.071 25098 2558 1 7 . 1 1 46 46 MET CA C 46 55.999 55.999 54.451 1.548 25098 2559 1 7 . 1 1 46 46 MET CB C 46 32.530 32.530 33.292 -0.762 25098 2560 1 7 . 1 1 46 46 MET H H 46 8.319 8.319 7.773 0.546 25098 2561 1 7 . 1 1 47 47 GLY N N 47 119.231 119.231 107.831 11.400 25098 2562 1 7 . 1 1 47 47 GLY CA C 47 46.863 46.863 44.885 1.978 25098 2563 1 7 . 1 1 47 47 GLY H H 47 10.065 10.065 8.654 1.411 25098 2564 1 7 . 1 1 48 48 GLY N N 48 102.924 102.924 105.804 -2.880 25098 2565 1 7 . 1 1 48 48 GLY CA C 48 43.176 43.176 45.012 -1.836 25098 2566 1 7 . 1 1 48 48 GLY H H 48 6.639 6.639 7.728 -1.089 25098 2567 1 7 . 1 1 49 49 TYR N N 49 120.115 120.115 119.402 0.713 25098 2568 1 7 . 1 1 49 49 TYR HA H 49 5.267 5.267 5.378 -0.111 25098 2569 1 7 . 1 1 49 49 TYR CA C 49 56.991 56.991 56.661 0.330 25098 2570 1 7 . 1 1 49 49 TYR CB C 49 40.490 40.490 40.596 -0.106 25098 2571 1 7 . 1 1 49 49 TYR H H 49 8.364 8.364 8.208 0.156 25098 2572 1 7 . 1 1 50 50 THR N N 50 117.545 117.545 118.384 -0.839 25098 2573 1 7 . 1 1 50 50 THR HA H 50 4.742 4.742 4.431 0.311 25098 2574 1 7 . 1 1 50 50 THR CA C 50 59.224 59.224 64.439 -5.215 25098 2575 1 7 . 1 1 50 50 THR CB C 50 71.576 71.576 67.796 3.780 25098 2576 1 7 . 1 1 50 50 THR H H 50 8.574 8.574 8.365 0.209 25098 2577 1 7 . 1 1 51 51 PRO HA H 51 4.928 4.928 4.619 0.309 25098 2578 1 7 . 1 1 51 51 PRO CA C 51 63.206 63.206 62.965 0.241 25098 2579 1 7 . 1 1 51 51 PRO CB C 51 34.946 34.946 31.038 3.908 25098 2580 1 7 . 1 1 52 52 GLU N N 52 114.661 114.661 122.146 -7.485 25098 2581 1 7 . 1 1 52 52 GLU HA H 52 4.468 4.468 3.959 0.509 25098 2582 1 7 . 1 1 52 52 GLU CA C 52 55.828 55.828 59.042 -3.214 25098 2583 1 7 . 1 1 52 52 GLU CB C 52 30.239 30.239 29.771 0.468 25098 2584 1 7 . 1 1 52 52 GLU H H 52 8.351 8.351 8.451 -0.100 25098 2585 1 7 . 1 1 53 53 LEU N N 53 123.273 123.273 116.334 6.939 25098 2586 1 7 . 1 1 53 53 LEU HA H 53 5.504 5.504 5.383 0.121 25098 2587 1 7 . 1 1 53 53 LEU CA C 53 54.005 54.005 52.265 1.740 25098 2588 1 7 . 1 1 53 53 LEU CB C 53 44.276 44.276 44.099 0.177 25098 2589 1 7 . 1 1 53 53 LEU H H 53 7.476 7.476 7.299 0.177 25098 2590 1 7 . 1 1 54 54 ILE N N 54 121.159 121.159 120.060 1.099 25098 2591 1 7 . 1 1 54 54 ILE HA H 54 5.238 5.238 5.370 -0.132 25098 2592 1 7 . 1 1 54 54 ILE CA C 54 59.006 59.006 59.061 -0.055 25098 2593 1 7 . 1 1 54 54 ILE CB C 54 41.979 41.979 39.213 2.766 25098 2594 1 7 . 1 1 54 54 ILE H H 54 8.732 8.732 9.230 -0.498 25098 2595 1 7 . 1 1 55 55 VAL N N 55 123.295 123.295 126.890 -3.595 25098 2596 1 7 . 1 1 55 55 VAL HA H 55 5.138 5.138 4.746 0.392 25098 2597 1 7 . 1 1 55 55 VAL CA C 55 61.216 61.216 62.461 -1.245 25098 2598 1 7 . 1 1 55 55 VAL CB C 55 33.376 33.376 32.475 0.901 25098 2599 1 7 . 1 1 55 55 VAL H H 55 8.456 8.456 8.659 -0.203 25098 2600 1 7 . 1 1 56 56 LEU N N 56 129.681 129.681 127.839 1.842 25098 2601 1 7 . 1 1 56 56 LEU HA H 56 4.637 4.637 4.856 -0.219 25098 2602 1 7 . 1 1 56 56 LEU CA C 56 53.044 53.044 53.102 -0.058 25098 2603 1 7 . 1 1 56 56 LEU CB C 56 45.712 45.712 46.373 -0.661 25098 2604 1 7 . 1 1 56 56 LEU H H 56 9.646 9.646 9.112 0.534 25098 2605 1 7 . 1 1 57 57 LYS N N 57 121.874 121.874 119.255 2.619 25098 2606 1 7 . 1 1 57 57 LYS HA H 57 4.815 4.815 4.712 0.103 25098 2607 1 7 . 1 1 57 57 LYS CA C 57 55.095 55.095 55.352 -0.257 25098 2608 1 7 . 1 1 57 57 LYS CB C 57 33.701 33.701 34.426 -0.725 25098 2609 1 7 . 1 1 57 57 LYS H H 57 9.619 9.619 8.382 1.237 25098 2610 1 7 . 1 1 58 58 LYS N N 58 124.865 124.865 121.521 3.344 25098 2611 1 7 . 1 1 58 58 LYS HA H 58 3.714 3.714 4.551 -0.837 25098 2612 1 7 . 1 1 58 58 LYS CA C 58 57.532 57.532 55.842 1.690 25098 2613 1 7 . 1 1 58 58 LYS CB C 58 33.246 33.246 33.779 -0.533 25098 2614 1 7 . 1 1 58 58 LYS H H 58 8.793 8.793 7.945 0.848 25098 2615 1 7 . 1 1 59 59 SER N N 59 113.482 113.482 118.170 -4.688 25098 2616 1 7 . 1 1 59 59 SER HA H 59 4.084 4.084 4.124 -0.040 25098 2617 1 7 . 1 1 59 59 SER CA C 59 61.005 61.005 59.817 1.188 25098 2618 1 7 . 1 1 59 59 SER CB C 59 60.917 60.917 62.709 -1.792 25098 2619 1 7 . 1 1 59 59 SER H H 59 8.946 8.946 9.113 -0.167 25098 2620 1 7 . 1 1 60 60 VAL N N 60 123.081 123.081 121.755 1.326 25098 2621 1 7 . 1 1 60 60 VAL HA H 60 4.448 4.448 4.598 -0.150 25098 2622 1 7 . 1 1 60 60 VAL CA C 60 59.101 59.101 58.241 0.860 25098 2623 1 7 . 1 1 60 60 VAL CB C 60 33.818 33.818 34.968 -1.150 25098 2624 1 7 . 1 1 60 60 VAL H H 60 6.974 6.974 7.548 -0.574 25098 2625 1 7 . 1 1 61 61 PRO HA H 61 4.405 4.405 4.624 -0.219 25098 2626 1 7 . 1 1 61 61 PRO CA C 61 64.752 64.752 62.898 1.854 25098 2627 1 7 . 1 1 61 61 PRO CB C 61 32.273 32.273 31.377 0.896 25098 2628 1 7 . 1 1 62 62 ALA N N 62 124.881 124.881 126.614 -1.733 25098 2629 1 7 . 1 1 62 62 ALA HA H 62 5.452 5.452 5.321 0.131 25098 2630 1 7 . 1 1 62 62 ALA CA C 62 49.746 49.746 50.276 -0.530 25098 2631 1 7 . 1 1 62 62 ALA CB C 62 22.483 22.483 22.820 -0.337 25098 2632 1 7 . 1 1 62 62 ALA H H 62 9.244 9.244 9.232 0.012 25098 2633 1 7 . 1 1 63 63 ARG N N 63 122.869 122.869 122.304 0.565 25098 2634 1 7 . 1 1 63 63 ARG HA H 63 4.498 4.498 5.461 -0.963 25098 2635 1 7 . 1 1 63 63 ARG CA C 63 55.022 55.022 53.606 1.416 25098 2636 1 7 . 1 1 63 63 ARG CB C 63 31.637 31.637 32.773 -1.136 25098 2637 1 7 . 1 1 63 63 ARG H H 63 8.858 8.858 9.060 -0.202 25098 2638 1 7 . 1 1 64 64 ILE N N 64 125.797 125.797 125.153 0.644 25098 2639 1 7 . 1 1 64 64 ILE HA H 64 4.367 4.367 4.327 0.040 25098 2640 1 7 . 1 1 64 64 ILE CA C 64 60.028 60.028 58.309 1.719 25098 2641 1 7 . 1 1 64 64 ILE CB C 64 37.499 37.499 36.951 0.548 25098 2642 1 7 . 1 1 64 64 ILE H H 64 9.033 9.033 8.789 0.244 25098 2643 1 7 . 1 1 65 65 VAL N N 65 127.998 127.998 128.881 -0.883 25098 2644 1 7 . 1 1 65 65 VAL HA H 65 4.122 4.122 4.183 -0.061 25098 2645 1 7 . 1 1 65 65 VAL CA C 65 61.697 61.697 62.089 -0.392 25098 2646 1 7 . 1 1 65 65 VAL CB C 65 32.480 32.480 31.118 1.362 25098 2647 1 7 . 1 1 65 65 VAL H H 65 8.800 8.800 8.870 -0.070 25098 2648 1 7 . 1 1 66 66 PHE N N 66 126.431 126.431 128.813 -2.382 25098 2649 1 7 . 1 1 66 66 PHE HA H 66 5.190 5.190 5.196 -0.006 25098 2650 1 7 . 1 1 66 66 PHE CA C 66 58.012 58.012 56.953 1.059 25098 2651 1 7 . 1 1 66 66 PHE CB C 66 41.731 41.731 40.041 1.690 25098 2652 1 7 . 1 1 66 66 PHE H H 66 9.536 9.536 9.369 0.167 25098 2653 1 7 . 1 1 67 67 ASP N N 67 123.469 123.469 125.273 -1.804 25098 2654 1 7 . 1 1 67 67 ASP HA H 67 4.986 4.986 4.984 0.002 25098 2655 1 7 . 1 1 67 67 ASP CA C 67 52.158 52.158 53.255 -1.097 25098 2656 1 7 . 1 1 67 67 ASP CB C 67 42.083 42.083 42.553 -0.470 25098 2657 1 7 . 1 1 67 67 ASP H H 67 8.806 8.806 9.066 -0.260 25098 2658 1 7 . 1 1 68 68 ARG N N 68 124.864 124.864 128.632 -3.768 25098 2659 1 7 . 1 1 68 68 ARG HA H 68 4.760 4.760 4.462 0.298 25098 2660 1 7 . 1 1 68 68 ARG CA C 68 58.018 58.018 56.365 1.653 25098 2661 1 7 . 1 1 68 68 ARG CB C 68 30.605 30.605 30.026 0.579 25098 2662 1 7 . 1 1 68 68 ARG H H 68 8.598 8.598 8.124 0.474 25098 2663 1 7 . 1 1 69 69 LYS N N 69 126.910 126.910 127.811 -0.901 25098 2664 1 7 . 1 1 69 69 LYS HA H 69 4.662 4.662 4.409 0.253 25098 2665 1 7 . 1 1 69 69 LYS CA C 69 55.222 55.222 56.913 -1.691 25098 2666 1 7 . 1 1 69 69 LYS CB C 69 34.788 34.788 33.583 1.205 25098 2667 1 7 . 1 1 69 69 LYS H H 69 8.348 8.348 8.895 -0.547 25098 2668 1 7 . 1 1 70 70 ASP N N 70 119.420 119.420 119.674 -0.254 25098 2669 1 7 . 1 1 70 70 ASP HA H 70 5.085 5.085 4.941 0.144 25098 2670 1 7 . 1 1 70 70 ASP CA C 70 49.872 49.872 51.012 -1.140 25098 2671 1 7 . 1 1 70 70 ASP CB C 70 45.194 45.194 42.472 2.722 25098 2672 1 7 . 1 1 70 70 ASP H H 70 6.675 6.675 7.916 -1.241 25098 2673 1 7 . 1 1 71 71 PRO HA H 71 4.589 4.589 4.525 0.064 25098 2674 1 7 . 1 1 71 71 PRO CA C 71 63.781 63.781 62.568 1.213 25098 2675 1 7 . 1 1 72 72 SER N N 72 121.578 121.578 118.808 2.770 25098 2676 1 7 . 1 1 72 72 SER HA H 72 4.462 4.462 4.538 -0.076 25098 2677 1 7 . 1 1 72 72 SER CA C 72 57.029 57.029 56.429 0.600 25098 2678 1 7 . 1 1 72 72 SER CB C 72 63.781 63.781 63.666 0.115 25098 2679 1 7 . 1 1 72 72 SER H H 72 8.624 8.624 7.635 0.989 25098 2680 1 7 . 1 1 73 73 PRO HA H 73 4.348 4.348 4.319 0.029 25098 2681 1 7 . 1 1 73 73 PRO CA C 73 64.297 64.297 64.919 -0.622 25098 2682 1 7 . 1 1 74 74 CYS N N 74 114.456 114.456 113.848 0.608 25098 2683 1 7 . 1 1 74 74 CYS HA H 74 4.320 4.320 4.455 -0.135 25098 2684 1 7 . 1 1 74 74 CYS CA C 74 60.192 60.192 58.319 1.873 25098 2685 1 7 . 1 1 74 74 CYS CB C 74 27.035 27.035 26.483 0.552 25098 2686 1 7 . 1 1 74 74 CYS H H 74 8.010 8.010 8.079 -0.069 25098 2687 1 7 . 1 1 75 75 LEU N N 75 120.476 120.476 119.592 0.884 25098 2688 1 7 . 1 1 75 75 LEU HA H 75 4.546 4.546 4.491 0.055 25098 2689 1 7 . 1 1 75 75 LEU CA C 75 53.987 53.987 54.139 -0.152 25098 2690 1 7 . 1 1 75 75 LEU CB C 75 41.083 41.083 42.148 -1.065 25098 2691 1 7 . 1 1 75 75 LEU H H 75 7.629 7.629 7.508 0.121 25098 2692 1 7 . 1 1 76 76 ASP N N 76 117.861 117.861 121.127 -3.266 25098 2693 1 7 . 1 1 76 76 ASP HA H 76 4.466 4.466 4.463 0.003 25098 2694 1 7 . 1 1 76 76 ASP CB C 76 41.608 41.608 42.303 -0.695 25098 2695 1 7 . 1 1 76 76 ASP H H 76 7.465 7.465 7.678 -0.213 25098 2696 1 7 . 1 1 77 77 GLN HA H 77 5.368 5.368 4.569 0.799 25098 2697 1 7 . 1 1 77 77 GLN CA C 77 53.830 53.830 54.749 -0.919 25098 2698 1 7 . 1 1 77 77 GLN CB C 77 33.290 33.290 33.580 -0.290 25098 2699 1 7 . 1 1 78 78 ILE N N 78 123.134 123.134 120.483 2.651 25098 2700 1 7 . 1 1 78 78 ILE HA H 78 4.893 4.893 4.472 0.421 25098 2701 1 7 . 1 1 78 78 ILE CA C 78 56.862 56.862 60.200 -3.338 25098 2702 1 7 . 1 1 78 78 ILE CB C 78 42.611 42.611 42.251 0.360 25098 2703 1 7 . 1 1 78 78 ILE H H 78 9.043 9.043 9.017 0.026 25098 2704 1 7 . 1 1 79 79 VAL N N 79 125.068 125.068 126.281 -1.213 25098 2705 1 7 . 1 1 79 79 VAL HA H 79 4.911 4.911 5.412 -0.501 25098 2706 1 7 . 1 1 79 79 VAL CB C 79 35.336 35.336 35.135 0.201 25098 2707 1 7 . 1 1 79 79 VAL H H 79 8.911 8.911 8.064 0.847 25098 2708 1 7 . 1 1 80 80 PHE N N 80 123.479 123.479 127.740 -4.261 25098 2709 1 7 . 1 1 80 80 PHE HA H 80 5.574 5.574 5.301 0.273 25098 2710 1 7 . 1 1 80 80 PHE CA C 80 53.684 53.684 55.611 -1.927 25098 2711 1 7 . 1 1 80 80 PHE CB C 80 39.905 39.905 39.558 0.347 25098 2712 1 7 . 1 1 80 80 PHE H H 80 8.628 8.628 9.603 -0.975 25098 2713 1 7 . 1 1 81 81 PRO HA H 81 4.427 4.427 4.361 0.066 25098 2714 1 7 . 1 1 81 81 PRO CA C 81 65.254 65.254 65.051 0.203 25098 2715 1 7 . 1 1 81 81 PRO CB C 81 32.319 32.319 31.502 0.817 25098 2716 1 7 . 1 1 82 82 ASP N N 82 114.119 114.119 118.259 -4.140 25098 2717 1 7 . 1 1 82 82 ASP HA H 82 4.484 4.484 4.624 -0.140 25098 2718 1 7 . 1 1 82 82 ASP CA C 82 55.569 55.569 55.146 0.423 25098 2719 1 7 . 1 1 82 82 ASP CB C 82 41.625 41.625 41.816 -0.191 25098 2720 1 7 . 1 1 82 82 ASP H H 82 8.692 8.692 8.638 0.054 25098 2721 1 7 . 1 1 83 83 PHE N N 83 113.198 113.198 117.856 -4.658 25098 2722 1 7 . 1 1 83 83 PHE HA H 83 4.618 4.618 4.573 0.045 25098 2723 1 7 . 1 1 83 83 PHE CA C 83 57.454 57.454 57.934 -0.480 25098 2724 1 7 . 1 1 83 83 PHE CB C 83 41.445 41.445 41.970 -0.525 25098 2725 1 7 . 1 1 83 83 PHE H H 83 7.434 7.434 7.698 -0.264 25098 2726 1 7 . 1 1 84 84 GLY N N 84 108.212 108.212 109.408 -1.196 25098 2727 1 7 . 1 1 84 84 GLY CA C 84 46.552 46.552 45.598 0.954 25098 2728 1 7 . 1 1 84 84 GLY H H 84 7.677 7.677 8.606 -0.929 25098 2729 1 7 . 1 1 85 85 VAL N N 85 117.875 117.875 122.072 -4.197 25098 2730 1 7 . 1 1 85 85 VAL HA H 85 4.270 4.270 4.345 -0.075 25098 2731 1 7 . 1 1 85 85 VAL CA C 85 61.664 61.664 62.062 -0.398 25098 2732 1 7 . 1 1 85 85 VAL CB C 85 34.286 34.286 32.898 1.388 25098 2733 1 7 . 1 1 85 85 VAL H H 85 7.075 7.075 7.554 -0.479 25098 2734 1 7 . 1 1 86 86 HIS N N 86 129.355 129.355 129.176 0.179 25098 2735 1 7 . 1 1 86 86 HIS HA H 86 5.204 5.204 5.571 -0.367 25098 2736 1 7 . 1 1 86 86 HIS CA C 86 55.513 55.513 55.167 0.346 25098 2737 1 7 . 1 1 86 86 HIS CB C 86 31.131 31.131 31.242 -0.111 25098 2738 1 7 . 1 1 86 86 HIS H H 86 8.921 8.921 8.880 0.041 25098 2739 1 7 . 1 1 87 87 ALA N N 87 126.717 126.717 130.554 -3.837 25098 2740 1 7 . 1 1 87 87 ALA HA H 87 4.749 4.749 4.604 0.145 25098 2741 1 7 . 1 1 87 87 ALA CA C 87 50.886 50.886 50.219 0.667 25098 2742 1 7 . 1 1 87 87 ALA CB C 87 22.088 22.088 22.839 -0.751 25098 2743 1 7 . 1 1 87 87 ALA H H 87 8.799 8.799 8.979 -0.180 25098 2744 1 7 . 1 1 88 88 ASN N N 88 119.348 119.348 117.269 2.079 25098 2745 1 7 . 1 1 88 88 ASN HA H 88 5.125 5.125 4.718 0.407 25098 2746 1 7 . 1 1 88 88 ASN CA C 88 51.796 51.796 52.481 -0.685 25098 2747 1 7 . 1 1 88 88 ASN CB C 88 39.015 39.015 40.116 -1.101 25098 2748 1 7 . 1 1 88 88 ASN H H 88 8.230 8.230 8.145 0.085 25098 2749 1 7 . 1 1 89 89 LEU N N 89 122.766 122.766 121.242 1.524 25098 2750 1 7 . 1 1 89 89 LEU HA H 89 4.440 4.440 4.758 -0.318 25098 2751 1 7 . 1 1 89 89 LEU CA C 89 50.791 50.791 51.956 -1.165 25098 2752 1 7 . 1 1 89 89 LEU CB C 89 42.662 42.662 42.945 -0.283 25098 2753 1 7 . 1 1 89 89 LEU H H 89 8.356 8.356 8.723 -0.367 25098 2754 1 7 . 1 1 90 90 PRO HA H 90 4.434 4.434 4.553 -0.119 25098 2755 1 7 . 1 1 90 90 PRO CA C 90 61.669 61.669 62.116 -0.447 25098 2756 1 7 . 1 1 91 91 MET N N 91 121.751 121.751 125.506 -3.755 25098 2757 1 7 . 1 1 91 91 MET HA H 91 4.144 4.144 4.153 -0.009 25098 2758 1 7 . 1 1 91 91 MET CA C 91 55.460 55.460 55.364 0.096 25098 2759 1 7 . 1 1 91 91 MET CB C 91 30.951 30.951 32.259 -1.308 25098 2760 1 7 . 1 1 91 91 MET H H 91 8.709 8.709 8.568 0.141 25098 2761 1 7 . 1 1 92 92 GLY N N 92 112.856 112.856 113.817 -0.961 25098 2762 1 7 . 1 1 92 92 GLY CA C 92 46.265 46.265 45.007 1.258 25098 2763 1 7 . 1 1 92 92 GLY H H 92 8.325 8.325 8.600 -0.275 25098 2764 1 7 . 1 1 93 93 GLU N N 93 116.930 116.930 119.068 -2.138 25098 2765 1 7 . 1 1 93 93 GLU HA H 93 4.747 4.747 4.650 0.097 25098 2766 1 7 . 1 1 93 93 GLU CA C 93 54.151 54.151 54.380 -0.229 25098 2767 1 7 . 1 1 93 93 GLU CB C 93 33.784 33.784 33.362 0.422 25098 2768 1 7 . 1 1 93 93 GLU H H 93 7.331 7.331 7.903 -0.572 25098 2769 1 7 . 1 1 94 94 GLU N N 94 119.837 119.837 119.473 0.364 25098 2770 1 7 . 1 1 94 94 GLU HA H 94 5.103 5.103 5.304 -0.201 25098 2771 1 7 . 1 1 94 94 GLU CA C 94 55.340 55.340 55.420 -0.080 25098 2772 1 7 . 1 1 94 94 GLU CB C 94 31.196 31.196 31.522 -0.326 25098 2773 1 7 . 1 1 94 94 GLU H H 94 8.418 8.418 8.664 -0.246 25098 2774 1 7 . 1 1 95 95 TYR N N 95 124.949 124.949 125.825 -0.876 25098 2775 1 7 . 1 1 95 95 TYR HA H 95 4.637 4.637 4.796 -0.159 25098 2776 1 7 . 1 1 95 95 TYR CA C 95 58.125 58.125 57.303 0.821 25098 2777 1 7 . 1 1 95 95 TYR CB C 95 43.144 43.144 41.332 1.812 25098 2778 1 7 . 1 1 95 95 TYR H H 95 9.059 9.059 9.287 -0.228 25098 2779 1 7 . 1 1 96 96 VAL N N 96 128.075 128.075 126.797 1.278 25098 2780 1 7 . 1 1 96 96 VAL HA H 96 4.440 4.440 4.934 -0.494 25098 2781 1 7 . 1 1 96 96 VAL CA C 96 61.772 61.772 60.172 1.600 25098 2782 1 7 . 1 1 96 96 VAL CB C 96 32.805 32.805 33.964 -1.159 25098 2783 1 7 . 1 1 96 96 VAL H H 96 7.795 7.795 8.312 -0.517 25098 2784 1 7 . 1 1 97 97 VAL N N 97 129.541 129.541 129.048 0.493 25098 2785 1 7 . 1 1 97 97 VAL HA H 97 3.917 3.917 4.286 -0.369 25098 2786 1 7 . 1 1 97 97 VAL CA C 97 61.821 61.821 60.604 1.217 25098 2787 1 7 . 1 1 97 97 VAL CB C 97 33.313 33.313 32.792 0.521 25098 2788 1 7 . 1 1 97 97 VAL H H 97 9.110 9.110 8.860 0.250 25098 2789 1 7 . 1 1 98 98 GLU N N 98 127.575 127.575 129.007 -1.432 25098 2790 1 7 . 1 1 98 98 GLU HA H 98 5.237 5.237 4.792 0.445 25098 2791 1 7 . 1 1 98 98 GLU CA C 98 54.576 54.576 56.322 -1.746 25098 2792 1 7 . 1 1 98 98 GLU CB C 98 30.995 30.995 30.320 0.675 25098 2793 1 7 . 1 1 98 98 GLU H H 98 8.166 8.166 8.714 -0.548 25098 2794 1 7 . 1 1 99 99 ILE N N 99 118.374 118.374 122.303 -3.929 25098 2795 1 7 . 1 1 99 99 ILE HA H 99 4.386 4.386 4.651 -0.265 25098 2796 1 7 . 1 1 99 99 ILE CA C 99 59.143 59.143 59.211 -0.068 25098 2797 1 7 . 1 1 99 99 ILE CB C 99 43.580 43.580 42.104 1.476 25098 2798 1 7 . 1 1 99 99 ILE H H 99 7.881 7.881 8.963 -1.082 25098 2799 1 7 . 1 1 100 100 THR N N 100 119.619 119.619 118.170 1.449 25098 2800 1 7 . 1 1 100 100 THR HA H 100 4.717 4.717 4.877 -0.160 25098 2801 1 7 . 1 1 100 100 THR CA C 100 58.983 58.983 58.904 0.079 25098 2802 1 7 . 1 1 100 100 THR CB C 100 69.121 69.121 69.181 -0.060 25098 2803 1 7 . 1 1 100 100 THR H H 100 8.885 8.885 8.418 0.467 25098 2804 1 7 . 1 1 101 101 PRO HA H 101 4.620 4.620 4.875 -0.255 25098 2805 1 7 . 1 1 101 101 PRO CA C 101 62.096 62.096 63.059 -0.964 25098 2806 1 7 . 1 1 101 101 PRO CB C 101 32.296 32.296 32.438 -0.141 25098 2807 1 7 . 1 1 102 102 GLU N N 102 124.589 124.589 123.388 1.201 25098 2808 1 7 . 1 1 102 102 GLU HA H 102 4.379 4.379 4.443 -0.064 25098 2809 1 7 . 1 1 102 102 GLU CA C 102 56.649 56.649 56.389 0.260 25098 2810 1 7 . 1 1 102 102 GLU CB C 102 30.740 30.740 30.125 0.615 25098 2811 1 7 . 1 1 102 102 GLU H H 102 8.574 8.574 8.493 0.081 25098 2812 1 7 . 1 1 103 103 GLN N N 103 118.304 118.304 117.469 0.835 25098 2813 1 7 . 1 1 103 103 GLN HA H 103 4.662 4.662 4.502 0.160 25098 2814 1 7 . 1 1 103 103 GLN CA C 103 53.956 53.956 55.029 -1.073 25098 2815 1 7 . 1 1 103 103 GLN CB C 103 31.762 31.762 31.918 -0.156 25098 2816 1 7 . 1 1 103 103 GLN H H 103 8.518 8.518 7.684 0.834 25098 2817 1 7 . 1 1 104 104 ALA N N 104 124.603 124.603 126.556 -1.953 25098 2818 1 7 . 1 1 104 104 ALA HA H 104 4.195 4.195 4.463 -0.268 25098 2819 1 7 . 1 1 104 104 ALA CA C 104 51.886 51.886 51.986 -0.099 25098 2820 1 7 . 1 1 104 104 ALA CB C 104 19.377 19.377 19.230 0.147 25098 2821 1 7 . 1 1 104 104 ALA H H 104 8.575 8.575 8.447 0.128 25098 2822 1 7 . 1 1 105 105 GLY N N 105 108.486 108.486 111.266 -2.780 25098 2823 1 7 . 1 1 105 105 GLY CA C 105 44.726 44.726 45.121 -0.395 25098 2824 1 7 . 1 1 105 105 GLY H H 105 8.710 8.710 7.671 1.039 25098 2825 1 7 . 1 1 106 106 GLU N N 106 118.462 118.462 120.499 -2.037 25098 2826 1 7 . 1 1 106 106 GLU HA H 106 5.098 5.098 4.742 0.356 25098 2827 1 7 . 1 1 106 106 GLU CA C 106 54.382 54.382 55.934 -1.552 25098 2828 1 7 . 1 1 106 106 GLU CB C 106 31.878 31.878 30.676 1.202 25098 2829 1 7 . 1 1 106 106 GLU H H 106 7.620 7.620 8.270 -0.650 25098 2830 1 7 . 1 1 107 107 PHE N N 107 123.388 123.388 125.185 -1.797 25098 2831 1 7 . 1 1 107 107 PHE HA H 107 4.999 4.999 4.989 0.010 25098 2832 1 7 . 1 1 107 107 PHE CA C 107 56.623 56.623 55.958 0.665 25098 2833 1 7 . 1 1 107 107 PHE CB C 107 43.035 43.035 42.504 0.531 25098 2834 1 7 . 1 1 107 107 PHE H H 107 9.381 9.381 9.248 0.133 25098 2835 1 7 . 1 1 108 108 SER N N 108 117.621 117.621 114.674 2.947 25098 2836 1 7 . 1 1 108 108 SER HA H 108 5.137 5.137 5.101 0.036 25098 2837 1 7 . 1 1 108 108 SER CA C 108 58.465 58.465 57.680 0.785 25098 2838 1 7 . 1 1 108 108 SER CB C 108 65.864 65.864 66.394 -0.530 25098 2839 1 7 . 1 1 108 108 SER H H 108 8.846 8.846 9.426 -0.580 25098 2840 1 7 . 1 1 109 109 PHE N N 109 116.119 116.119 114.562 1.557 25098 2841 1 7 . 1 1 109 109 PHE HA H 109 5.154 5.154 4.881 0.273 25098 2842 1 7 . 1 1 109 109 PHE CA C 109 55.800 55.800 56.149 -0.349 25098 2843 1 7 . 1 1 109 109 PHE CB C 109 39.858 39.858 41.195 -1.337 25098 2844 1 7 . 1 1 109 109 PHE H H 109 7.646 7.646 8.320 -0.674 25098 2845 1 7 . 1 1 110 110 ALA N N 110 121.615 121.615 122.585 -0.970 25098 2846 1 7 . 1 1 110 110 ALA HA H 110 5.258 5.258 4.983 0.275 25098 2847 1 7 . 1 1 110 110 ALA CA C 110 50.940 50.940 51.523 -0.583 25098 2848 1 7 . 1 1 110 110 ALA CB C 110 24.724 24.724 22.534 2.190 25098 2849 1 7 . 1 1 110 110 ALA H H 110 8.826 8.826 8.282 0.544 25098 2850 1 7 . 1 1 111 111 CYS N N 111 114.162 114.162 118.286 -4.124 25098 2851 1 7 . 1 1 111 111 CYS HA H 111 5.372 5.372 4.838 0.534 25098 2852 1 7 . 1 1 111 111 CYS CA C 111 55.651 55.651 57.499 -1.848 25098 2853 1 7 . 1 1 111 111 CYS CB C 111 33.551 33.551 30.525 3.026 25098 2854 1 7 . 1 1 111 111 CYS H H 111 7.820 7.820 9.114 -1.294 25098 2855 1 7 . 1 1 112 112 GLY N N 112 108.348 108.348 116.027 -7.679 25098 2856 1 7 . 1 1 112 112 GLY H H 112 8.277 8.277 8.905 -0.628 25098 2857 1 7 . 1 1 117 117 HIS N N 117 117.324 117.324 116.612 0.712 25098 2858 1 7 . 1 1 117 117 HIS HA H 117 4.540 4.540 5.022 -0.482 25098 2859 1 7 . 1 1 117 117 HIS CA C 117 56.897 56.897 54.579 2.318 25098 2860 1 7 . 1 1 117 117 HIS CB C 117 29.675 29.675 32.707 -3.032 25098 2861 1 7 . 1 1 117 117 HIS H H 117 8.670 8.670 7.875 0.795 25098 2862 1 7 . 1 1 118 118 GLY N N 118 109.716 109.716 106.665 3.051 25098 2863 1 7 . 1 1 118 118 GLY CA C 118 43.143 43.143 43.328 -0.184 25098 2864 1 7 . 1 1 118 118 GLY H H 118 8.350 8.350 8.479 -0.129 25098 2865 1 7 . 1 1 119 119 LYS N N 119 120.631 120.631 121.467 -0.836 25098 2866 1 7 . 1 1 119 119 LYS HA H 119 4.949 4.949 4.911 0.038 25098 2867 1 7 . 1 1 119 119 LYS CA C 119 55.192 55.192 54.792 0.400 25098 2868 1 7 . 1 1 119 119 LYS CB C 119 36.931 36.931 37.127 -0.196 25098 2869 1 7 . 1 1 119 119 LYS H H 119 8.561 8.561 8.804 -0.243 25098 2870 1 7 . 1 1 120 120 MET N N 120 123.525 123.525 123.414 0.111 25098 2871 1 7 . 1 1 120 120 MET HA H 120 5.565 5.565 5.319 0.246 25098 2872 1 7 . 1 1 120 120 MET CA C 120 53.142 53.142 54.875 -1.733 25098 2873 1 7 . 1 1 120 120 MET CB C 120 37.448 37.448 37.214 0.234 25098 2874 1 7 . 1 1 120 120 MET H H 120 9.329 9.329 9.264 0.065 25098 2875 1 7 . 1 1 121 121 ILE N N 121 127.707 127.707 128.127 -0.420 25098 2876 1 7 . 1 1 121 121 ILE HA H 121 4.890 4.890 4.741 0.149 25098 2877 1 7 . 1 1 121 121 ILE CA C 121 60.048 60.048 60.308 -0.260 25098 2878 1 7 . 1 1 121 121 ILE CB C 121 39.806 39.806 39.463 0.343 25098 2879 1 7 . 1 1 121 121 ILE H H 121 9.471 9.471 9.291 0.180 25098 2880 1 7 . 1 1 122 122 VAL N N 122 127.738 127.738 128.771 -1.033 25098 2881 1 7 . 1 1 122 122 VAL HA H 122 4.994 4.994 4.732 0.262 25098 2882 1 7 . 1 1 122 122 VAL CA C 122 60.618 60.618 60.642 -0.024 25098 2883 1 7 . 1 1 122 122 VAL CB C 122 33.297 33.297 31.267 2.030 25098 2884 1 7 . 1 1 122 122 VAL H H 122 9.350 9.350 8.479 0.871 25098 2885 1 8 . 1 1 28 28 MET N N 28 119.966 119.966 122.467 -2.501 25098 2886 1 8 . 1 1 28 28 MET H H 28 8.438 8.438 8.007 0.431 25098 2887 1 8 . 1 1 29 29 GLY N N 29 109.326 109.326 110.508 -1.182 25098 2888 1 8 . 1 1 29 29 GLY CA C 29 44.803 44.803 44.585 0.218 25098 2889 1 8 . 1 1 29 29 GLY H H 29 8.343 8.343 7.877 0.466 25098 2890 1 8 . 1 1 30 30 GLN N N 30 121.171 121.171 120.533 0.638 25098 2891 1 8 . 1 1 30 30 GLN HA H 30 4.548 4.548 4.661 -0.113 25098 2892 1 8 . 1 1 30 30 GLN CA C 30 54.981 54.981 54.773 0.208 25098 2893 1 8 . 1 1 30 30 GLN CB C 30 30.824 30.824 31.649 -0.825 25098 2894 1 8 . 1 1 30 30 GLN H H 30 8.174 8.174 8.853 -0.679 25098 2895 1 8 . 1 1 31 31 LYS N N 31 125.160 125.160 126.420 -1.260 25098 2896 1 8 . 1 1 31 31 LYS HA H 31 4.829 4.829 4.355 0.474 25098 2897 1 8 . 1 1 31 31 LYS CA C 31 55.952 55.952 55.936 0.016 25098 2898 1 8 . 1 1 31 31 LYS CB C 31 33.322 33.322 33.424 -0.102 25098 2899 1 8 . 1 1 31 31 LYS H H 31 8.713 8.713 8.828 -0.115 25098 2900 1 8 . 1 1 32 32 ALA N N 32 123.842 123.842 129.628 -5.786 25098 2901 1 8 . 1 1 32 32 ALA HA H 32 4.125 4.125 4.271 -0.146 25098 2902 1 8 . 1 1 32 32 ALA CA C 32 52.301 52.301 51.852 0.448 25098 2903 1 8 . 1 1 32 32 ALA CB C 32 18.956 18.956 20.140 -1.185 25098 2904 1 8 . 1 1 32 32 ALA H H 32 8.152 8.152 8.204 -0.052 25098 2905 1 8 . 1 1 33 33 GLN N N 33 121.807 121.807 119.785 2.022 25098 2906 1 8 . 1 1 33 33 GLN HA H 33 4.380 4.380 4.279 0.101 25098 2907 1 8 . 1 1 33 33 GLN CA C 33 55.299 55.299 55.365 -0.066 25098 2908 1 8 . 1 1 33 33 GLN CB C 33 29.835 29.835 29.426 0.409 25098 2909 1 8 . 1 1 33 33 GLN H H 33 8.808 8.808 8.388 0.420 25098 2910 1 8 . 1 1 34 34 GLN N N 34 124.320 124.320 124.910 -0.590 25098 2911 1 8 . 1 1 34 34 GLN HA H 34 4.212 4.212 4.332 -0.120 25098 2912 1 8 . 1 1 34 34 GLN CA C 34 55.368 55.368 55.510 -0.142 25098 2913 1 8 . 1 1 34 34 GLN CB C 34 27.615 27.615 29.035 -1.420 25098 2914 1 8 . 1 1 34 34 GLN H H 34 9.025 9.025 8.516 0.509 25098 2915 1 8 . 1 1 35 35 LYS N N 35 126.662 126.662 123.411 3.251 25098 2916 1 8 . 1 1 35 35 LYS HA H 35 4.441 4.441 4.228 0.213 25098 2917 1 8 . 1 1 35 35 LYS CA C 35 54.126 54.126 54.253 -0.127 25098 2918 1 8 . 1 1 35 35 LYS CB C 35 31.475 31.475 32.651 -1.176 25098 2919 1 8 . 1 1 35 35 LYS H H 35 8.479 8.479 8.488 -0.009 25098 2920 1 8 . 1 1 36 36 ASN N N 36 118.026 118.026 119.268 -1.242 25098 2921 1 8 . 1 1 36 36 ASN HA H 36 4.611 4.611 4.556 0.055 25098 2922 1 8 . 1 1 36 36 ASN CA C 36 53.478 53.478 53.258 0.220 25098 2923 1 8 . 1 1 36 36 ASN CB C 36 36.839 36.839 36.606 0.233 25098 2924 1 8 . 1 1 36 36 ASN H H 36 8.062 8.062 8.199 -0.137 25098 2925 1 8 . 1 1 37 37 GLY N N 37 111.719 111.719 109.397 2.322 25098 2926 1 8 . 1 1 37 37 GLY CA C 37 45.230 45.230 45.606 -0.376 25098 2927 1 8 . 1 1 37 37 GLY H H 37 8.285 8.285 8.134 0.151 25098 2928 1 8 . 1 1 38 38 TYR N N 38 114.733 114.733 114.839 -0.106 25098 2929 1 8 . 1 1 38 38 TYR HA H 38 5.107 5.107 5.018 0.089 25098 2930 1 8 . 1 1 38 38 TYR CA C 38 55.398 55.398 55.160 0.238 25098 2931 1 8 . 1 1 38 38 TYR CB C 38 39.246 39.246 39.824 -0.578 25098 2932 1 8 . 1 1 38 38 TYR H H 38 7.158 7.158 7.209 -0.051 25098 2933 1 8 . 1 1 39 39 GLN N N 39 117.964 117.964 117.159 0.805 25098 2934 1 8 . 1 1 39 39 GLN HA H 39 5.472 5.472 5.076 0.396 25098 2935 1 8 . 1 1 39 39 GLN CA C 39 52.396 52.396 53.846 -1.450 25098 2936 1 8 . 1 1 39 39 GLN CB C 39 30.812 30.812 32.858 -2.046 25098 2937 1 8 . 1 1 39 39 GLN H H 39 9.401 9.401 8.344 1.057 25098 2938 1 8 . 1 1 40 40 GLU N N 40 123.527 123.527 121.274 2.253 25098 2939 1 8 . 1 1 40 40 GLU HA H 40 5.809 5.809 5.569 0.240 25098 2940 1 8 . 1 1 40 40 GLU CA C 40 54.574 54.574 54.888 -0.314 25098 2941 1 8 . 1 1 40 40 GLU CB C 40 35.999 35.999 34.417 1.581 25098 2942 1 8 . 1 1 40 40 GLU H H 40 9.027 9.027 8.698 0.329 25098 2943 1 8 . 1 1 41 41 ILE N N 41 124.884 124.884 122.430 2.454 25098 2944 1 8 . 1 1 41 41 ILE HA H 41 4.686 4.686 4.449 0.237 25098 2945 1 8 . 1 1 41 41 ILE CA C 41 59.126 59.126 60.484 -1.358 25098 2946 1 8 . 1 1 41 41 ILE CB C 41 42.658 42.658 41.846 0.812 25098 2947 1 8 . 1 1 41 41 ILE H H 41 8.503 8.503 8.262 0.241 25098 2948 1 8 . 1 1 42 42 ARG N N 42 127.316 127.316 129.102 -1.786 25098 2949 1 8 . 1 1 42 42 ARG HA H 42 5.136 5.136 4.699 0.437 25098 2950 1 8 . 1 1 42 42 ARG CA C 42 54.461 54.461 55.902 -1.441 25098 2951 1 8 . 1 1 42 42 ARG CB C 42 32.141 32.141 30.709 1.433 25098 2952 1 8 . 1 1 42 42 ARG H H 42 7.942 7.942 8.581 -0.639 25098 2953 1 8 . 1 1 43 43 VAL N N 43 126.060 126.060 128.694 -2.634 25098 2954 1 8 . 1 1 43 43 VAL HA H 43 4.357 4.357 4.174 0.183 25098 2955 1 8 . 1 1 43 43 VAL CA C 43 61.020 61.020 60.197 0.823 25098 2956 1 8 . 1 1 43 43 VAL CB C 43 34.375 34.375 31.852 2.523 25098 2957 1 8 . 1 1 43 43 VAL H H 43 9.158 9.158 9.064 0.094 25098 2958 1 8 . 1 1 44 44 GLU N N 44 127.592 127.592 129.073 -1.481 25098 2959 1 8 . 1 1 44 44 GLU HA H 44 4.782 4.782 4.365 0.417 25098 2960 1 8 . 1 1 44 44 GLU CA C 44 55.944 55.944 56.704 -0.760 25098 2961 1 8 . 1 1 44 44 GLU CB C 44 31.779 31.779 29.980 1.799 25098 2962 1 8 . 1 1 44 44 GLU H H 44 9.086 9.086 8.918 0.168 25098 2963 1 8 . 1 1 45 45 VAL N N 45 126.323 126.323 128.783 -2.460 25098 2964 1 8 . 1 1 45 45 VAL HA H 45 4.910 4.910 4.728 0.182 25098 2965 1 8 . 1 1 45 45 VAL CA C 45 61.122 61.122 61.821 -0.699 25098 2966 1 8 . 1 1 45 45 VAL CB C 45 31.501 31.501 32.201 -0.700 25098 2967 1 8 . 1 1 45 45 VAL H H 45 8.617 8.617 9.088 -0.471 25098 2968 1 8 . 1 1 46 46 MET N N 46 127.658 127.658 124.637 3.021 25098 2969 1 8 . 1 1 46 46 MET HA H 46 4.755 4.755 4.868 -0.113 25098 2970 1 8 . 1 1 46 46 MET CA C 46 55.999 55.999 54.306 1.693 25098 2971 1 8 . 1 1 46 46 MET CB C 46 32.530 32.530 33.149 -0.619 25098 2972 1 8 . 1 1 46 46 MET H H 46 8.319 8.319 7.924 0.395 25098 2973 1 8 . 1 1 47 47 GLY N N 47 119.231 119.231 107.052 12.179 25098 2974 1 8 . 1 1 47 47 GLY CA C 47 46.863 46.863 45.313 1.550 25098 2975 1 8 . 1 1 47 47 GLY H H 47 10.065 10.065 8.673 1.392 25098 2976 1 8 . 1 1 48 48 GLY N N 48 102.924 102.924 105.439 -2.515 25098 2977 1 8 . 1 1 48 48 GLY CA C 48 43.176 43.176 44.029 -0.853 25098 2978 1 8 . 1 1 48 48 GLY H H 48 6.639 6.639 7.571 -0.932 25098 2979 1 8 . 1 1 49 49 TYR N N 49 120.115 120.115 118.689 1.426 25098 2980 1 8 . 1 1 49 49 TYR HA H 49 5.267 5.267 4.975 0.292 25098 2981 1 8 . 1 1 49 49 TYR CA C 49 56.991 56.991 57.369 -0.378 25098 2982 1 8 . 1 1 49 49 TYR CB C 49 40.490 40.490 38.108 2.382 25098 2983 1 8 . 1 1 49 49 TYR H H 49 8.364 8.364 8.453 -0.089 25098 2984 1 8 . 1 1 50 50 THR N N 50 117.545 117.545 119.233 -1.688 25098 2985 1 8 . 1 1 50 50 THR HA H 50 4.742 4.742 4.324 0.418 25098 2986 1 8 . 1 1 50 50 THR CA C 50 59.224 59.224 65.540 -6.316 25098 2987 1 8 . 1 1 50 50 THR CB C 50 71.576 71.576 67.831 3.745 25098 2988 1 8 . 1 1 50 50 THR H H 50 8.574 8.574 8.388 0.186 25098 2989 1 8 . 1 1 51 51 PRO HA H 51 4.928 4.928 4.667 0.261 25098 2990 1 8 . 1 1 51 51 PRO CA C 51 63.206 63.206 63.008 0.198 25098 2991 1 8 . 1 1 51 51 PRO CB C 51 34.946 34.946 31.218 3.728 25098 2992 1 8 . 1 1 52 52 GLU N N 52 114.661 114.661 122.030 -7.369 25098 2993 1 8 . 1 1 52 52 GLU HA H 52 4.468 4.468 4.094 0.374 25098 2994 1 8 . 1 1 52 52 GLU CA C 52 55.828 55.828 58.826 -2.998 25098 2995 1 8 . 1 1 52 52 GLU CB C 52 30.239 30.239 30.030 0.209 25098 2996 1 8 . 1 1 52 52 GLU H H 52 8.351 8.351 8.385 -0.034 25098 2997 1 8 . 1 1 53 53 LEU N N 53 123.273 123.273 116.457 6.816 25098 2998 1 8 . 1 1 53 53 LEU HA H 53 5.504 5.504 5.485 0.019 25098 2999 1 8 . 1 1 53 53 LEU CA C 53 54.005 54.005 52.919 1.086 25098 3000 1 8 . 1 1 53 53 LEU CB C 53 44.276 44.276 44.202 0.074 25098 3001 1 8 . 1 1 53 53 LEU H H 53 7.476 7.476 7.578 -0.102 25098 3002 1 8 . 1 1 54 54 ILE N N 54 121.159 121.159 119.969 1.190 25098 3003 1 8 . 1 1 54 54 ILE HA H 54 5.238 5.238 5.293 -0.055 25098 3004 1 8 . 1 1 54 54 ILE CA C 54 59.006 59.006 59.249 -0.243 25098 3005 1 8 . 1 1 54 54 ILE CB C 54 41.979 41.979 39.158 2.821 25098 3006 1 8 . 1 1 54 54 ILE H H 54 8.732 8.732 9.197 -0.465 25098 3007 1 8 . 1 1 55 55 VAL N N 55 123.295 123.295 126.302 -3.007 25098 3008 1 8 . 1 1 55 55 VAL HA H 55 5.138 5.138 4.962 0.176 25098 3009 1 8 . 1 1 55 55 VAL CA C 55 61.216 61.216 61.922 -0.706 25098 3010 1 8 . 1 1 55 55 VAL CB C 55 33.376 33.376 32.257 1.119 25098 3011 1 8 . 1 1 55 55 VAL H H 55 8.456 8.456 8.920 -0.464 25098 3012 1 8 . 1 1 56 56 LEU N N 56 129.681 129.681 127.366 2.315 25098 3013 1 8 . 1 1 56 56 LEU HA H 56 4.637 4.637 5.039 -0.402 25098 3014 1 8 . 1 1 56 56 LEU CA C 56 53.044 53.044 53.440 -0.396 25098 3015 1 8 . 1 1 56 56 LEU CB C 56 45.712 45.712 46.570 -0.858 25098 3016 1 8 . 1 1 56 56 LEU H H 56 9.646 9.646 9.373 0.273 25098 3017 1 8 . 1 1 57 57 LYS N N 57 121.874 121.874 120.723 1.151 25098 3018 1 8 . 1 1 57 57 LYS HA H 57 4.815 4.815 4.447 0.368 25098 3019 1 8 . 1 1 57 57 LYS CA C 57 55.095 55.095 55.191 -0.095 25098 3020 1 8 . 1 1 57 57 LYS CB C 57 33.701 33.701 33.825 -0.124 25098 3021 1 8 . 1 1 57 57 LYS H H 57 9.619 9.619 8.652 0.967 25098 3022 1 8 . 1 1 58 58 LYS N N 58 124.865 124.865 120.745 4.120 25098 3023 1 8 . 1 1 58 58 LYS HA H 58 3.714 3.714 4.490 -0.776 25098 3024 1 8 . 1 1 58 58 LYS CA C 58 57.532 57.532 55.569 1.962 25098 3025 1 8 . 1 1 58 58 LYS CB C 58 33.246 33.246 34.090 -0.844 25098 3026 1 8 . 1 1 58 58 LYS H H 58 8.793 8.793 8.351 0.442 25098 3027 1 8 . 1 1 59 59 SER N N 59 113.482 113.482 118.356 -4.874 25098 3028 1 8 . 1 1 59 59 SER HA H 59 4.084 4.084 4.079 0.005 25098 3029 1 8 . 1 1 59 59 SER CA C 59 61.005 61.005 59.827 1.178 25098 3030 1 8 . 1 1 59 59 SER CB C 59 60.917 60.917 62.604 -1.687 25098 3031 1 8 . 1 1 59 59 SER H H 59 8.946 8.946 9.148 -0.202 25098 3032 1 8 . 1 1 60 60 VAL N N 60 123.081 123.081 121.389 1.692 25098 3033 1 8 . 1 1 60 60 VAL HA H 60 4.448 4.448 4.600 -0.152 25098 3034 1 8 . 1 1 60 60 VAL CA C 60 59.101 59.101 58.654 0.447 25098 3035 1 8 . 1 1 60 60 VAL CB C 60 33.818 33.818 35.416 -1.598 25098 3036 1 8 . 1 1 60 60 VAL H H 60 6.974 6.974 7.652 -0.678 25098 3037 1 8 . 1 1 61 61 PRO HA H 61 4.405 4.405 4.601 -0.196 25098 3038 1 8 . 1 1 61 61 PRO CA C 61 64.752 64.752 62.924 1.828 25098 3039 1 8 . 1 1 61 61 PRO CB C 61 32.273 32.273 30.309 1.964 25098 3040 1 8 . 1 1 62 62 ALA N N 62 124.881 124.881 128.769 -3.888 25098 3041 1 8 . 1 1 62 62 ALA HA H 62 5.452 5.452 5.068 0.384 25098 3042 1 8 . 1 1 62 62 ALA CA C 62 49.746 49.746 50.212 -0.466 25098 3043 1 8 . 1 1 62 62 ALA CB C 62 22.483 22.483 21.770 0.713 25098 3044 1 8 . 1 1 62 62 ALA H H 62 9.244 9.244 8.756 0.488 25098 3045 1 8 . 1 1 63 63 ARG N N 63 122.869 122.869 122.101 0.768 25098 3046 1 8 . 1 1 63 63 ARG HA H 63 4.498 4.498 5.415 -0.917 25098 3047 1 8 . 1 1 63 63 ARG CA C 63 55.022 55.022 53.402 1.620 25098 3048 1 8 . 1 1 63 63 ARG CB C 63 31.637 31.637 32.776 -1.139 25098 3049 1 8 . 1 1 63 63 ARG H H 63 8.858 8.858 8.959 -0.101 25098 3050 1 8 . 1 1 64 64 ILE N N 64 125.797 125.797 124.915 0.882 25098 3051 1 8 . 1 1 64 64 ILE HA H 64 4.367 4.367 4.345 0.022 25098 3052 1 8 . 1 1 64 64 ILE CA C 64 60.028 60.028 58.400 1.628 25098 3053 1 8 . 1 1 64 64 ILE CB C 64 37.499 37.499 37.064 0.435 25098 3054 1 8 . 1 1 64 64 ILE H H 64 9.033 9.033 8.811 0.222 25098 3055 1 8 . 1 1 65 65 VAL N N 65 127.998 127.998 128.773 -0.775 25098 3056 1 8 . 1 1 65 65 VAL HA H 65 4.122 4.122 4.202 -0.080 25098 3057 1 8 . 1 1 65 65 VAL CA C 65 61.697 61.697 62.139 -0.442 25098 3058 1 8 . 1 1 65 65 VAL CB C 65 32.480 32.480 31.184 1.296 25098 3059 1 8 . 1 1 65 65 VAL H H 65 8.800 8.800 8.869 -0.069 25098 3060 1 8 . 1 1 66 66 PHE N N 66 126.431 126.431 128.801 -2.370 25098 3061 1 8 . 1 1 66 66 PHE HA H 66 5.190 5.190 5.161 0.029 25098 3062 1 8 . 1 1 66 66 PHE CA C 66 58.012 58.012 57.118 0.894 25098 3063 1 8 . 1 1 66 66 PHE CB C 66 41.731 41.731 40.151 1.580 25098 3064 1 8 . 1 1 66 66 PHE H H 66 9.536 9.536 9.452 0.084 25098 3065 1 8 . 1 1 67 67 ASP N N 67 123.469 123.469 125.181 -1.712 25098 3066 1 8 . 1 1 67 67 ASP HA H 67 4.986 4.986 5.005 -0.019 25098 3067 1 8 . 1 1 67 67 ASP CA C 67 52.158 52.158 53.206 -1.048 25098 3068 1 8 . 1 1 67 67 ASP CB C 67 42.083 42.083 42.641 -0.558 25098 3069 1 8 . 1 1 67 67 ASP H H 67 8.806 8.806 9.037 -0.231 25098 3070 1 8 . 1 1 68 68 ARG N N 68 124.864 124.864 128.599 -3.735 25098 3071 1 8 . 1 1 68 68 ARG HA H 68 4.760 4.760 4.478 0.282 25098 3072 1 8 . 1 1 68 68 ARG CA C 68 58.018 58.018 56.385 1.633 25098 3073 1 8 . 1 1 68 68 ARG CB C 68 30.605 30.605 30.062 0.543 25098 3074 1 8 . 1 1 68 68 ARG H H 68 8.598 8.598 8.114 0.484 25098 3075 1 8 . 1 1 69 69 LYS N N 69 126.910 126.910 128.240 -1.330 25098 3076 1 8 . 1 1 69 69 LYS HA H 69 4.662 4.662 4.376 0.286 25098 3077 1 8 . 1 1 69 69 LYS CA C 69 55.222 55.222 56.931 -1.709 25098 3078 1 8 . 1 1 69 69 LYS CB C 69 34.788 34.788 33.625 1.163 25098 3079 1 8 . 1 1 69 69 LYS H H 69 8.348 8.348 8.869 -0.521 25098 3080 1 8 . 1 1 70 70 ASP N N 70 119.420 119.420 119.571 -0.151 25098 3081 1 8 . 1 1 70 70 ASP HA H 70 5.085 5.085 4.975 0.110 25098 3082 1 8 . 1 1 70 70 ASP CA C 70 49.872 49.872 50.971 -1.099 25098 3083 1 8 . 1 1 70 70 ASP CB C 70 45.194 45.194 42.796 2.398 25098 3084 1 8 . 1 1 70 70 ASP H H 70 6.675 6.675 7.911 -1.236 25098 3085 1 8 . 1 1 71 71 PRO HA H 71 4.589 4.589 4.494 0.095 25098 3086 1 8 . 1 1 71 71 PRO CA C 71 63.781 63.781 62.555 1.226 25098 3087 1 8 . 1 1 72 72 SER N N 72 121.578 121.578 117.431 4.147 25098 3088 1 8 . 1 1 72 72 SER HA H 72 4.462 4.462 4.477 -0.015 25098 3089 1 8 . 1 1 72 72 SER CA C 72 57.029 57.029 55.204 1.825 25098 3090 1 8 . 1 1 72 72 SER CB C 72 63.781 63.781 64.198 -0.417 25098 3091 1 8 . 1 1 72 72 SER H H 72 8.624 8.624 7.647 0.977 25098 3092 1 8 . 1 1 73 73 PRO HA H 73 4.348 4.348 4.349 -0.001 25098 3093 1 8 . 1 1 73 73 PRO CA C 73 64.297 64.297 64.477 -0.180 25098 3094 1 8 . 1 1 74 74 CYS N N 74 114.456 114.456 116.145 -1.689 25098 3095 1 8 . 1 1 74 74 CYS HA H 74 4.320 4.320 4.337 -0.017 25098 3096 1 8 . 1 1 74 74 CYS CA C 74 60.192 60.192 60.657 -0.465 25098 3097 1 8 . 1 1 74 74 CYS CB C 74 27.035 27.035 27.139 -0.104 25098 3098 1 8 . 1 1 74 74 CYS H H 74 8.010 8.010 7.737 0.273 25098 3099 1 8 . 1 1 75 75 LEU N N 75 120.476 120.476 118.178 2.298 25098 3100 1 8 . 1 1 75 75 LEU HA H 75 4.546 4.546 4.456 0.090 25098 3101 1 8 . 1 1 75 75 LEU CA C 75 53.987 53.987 54.308 -0.321 25098 3102 1 8 . 1 1 75 75 LEU CB C 75 41.083 41.083 42.140 -1.057 25098 3103 1 8 . 1 1 75 75 LEU H H 75 7.629 7.629 7.369 0.260 25098 3104 1 8 . 1 1 76 76 ASP N N 76 117.861 117.861 119.358 -1.497 25098 3105 1 8 . 1 1 76 76 ASP HA H 76 4.466 4.466 4.429 0.037 25098 3106 1 8 . 1 1 76 76 ASP CB C 76 41.608 41.608 42.026 -0.418 25098 3107 1 8 . 1 1 76 76 ASP H H 76 7.465 7.465 7.337 0.128 25098 3108 1 8 . 1 1 77 77 GLN HA H 77 5.368 5.368 4.914 0.454 25098 3109 1 8 . 1 1 77 77 GLN CA C 77 53.830 53.830 54.940 -1.110 25098 3110 1 8 . 1 1 77 77 GLN CB C 77 33.290 33.290 32.759 0.531 25098 3111 1 8 . 1 1 78 78 ILE N N 78 123.134 123.134 123.000 0.134 25098 3112 1 8 . 1 1 78 78 ILE HA H 78 4.893 4.893 4.503 0.390 25098 3113 1 8 . 1 1 78 78 ILE CA C 78 56.862 56.862 59.865 -3.003 25098 3114 1 8 . 1 1 78 78 ILE CB C 78 42.611 42.611 41.363 1.248 25098 3115 1 8 . 1 1 78 78 ILE H H 78 9.043 9.043 9.145 -0.102 25098 3116 1 8 . 1 1 79 79 VAL N N 79 125.068 125.068 128.719 -3.651 25098 3117 1 8 . 1 1 79 79 VAL HA H 79 4.911 4.911 5.416 -0.505 25098 3118 1 8 . 1 1 79 79 VAL CB C 79 35.336 35.336 35.216 0.120 25098 3119 1 8 . 1 1 79 79 VAL H H 79 8.911 8.911 8.123 0.788 25098 3120 1 8 . 1 1 80 80 PHE N N 80 123.479 123.479 127.666 -4.187 25098 3121 1 8 . 1 1 80 80 PHE HA H 80 5.574 5.574 5.239 0.335 25098 3122 1 8 . 1 1 80 80 PHE CA C 80 53.684 53.684 55.759 -2.075 25098 3123 1 8 . 1 1 80 80 PHE CB C 80 39.905 39.905 39.204 0.701 25098 3124 1 8 . 1 1 80 80 PHE H H 80 8.628 8.628 9.528 -0.900 25098 3125 1 8 . 1 1 81 81 PRO HA H 81 4.427 4.427 4.414 0.013 25098 3126 1 8 . 1 1 81 81 PRO CA C 81 65.254 65.254 65.159 0.094 25098 3127 1 8 . 1 1 81 81 PRO CB C 81 32.319 32.319 31.577 0.742 25098 3128 1 8 . 1 1 82 82 ASP N N 82 114.119 114.119 116.819 -2.700 25098 3129 1 8 . 1 1 82 82 ASP HA H 82 4.484 4.484 4.796 -0.312 25098 3130 1 8 . 1 1 82 82 ASP CA C 82 55.569 55.569 55.449 0.120 25098 3131 1 8 . 1 1 82 82 ASP CB C 82 41.625 41.625 41.772 -0.147 25098 3132 1 8 . 1 1 82 82 ASP H H 82 8.692 8.692 8.629 0.063 25098 3133 1 8 . 1 1 83 83 PHE N N 83 113.198 113.198 118.596 -5.398 25098 3134 1 8 . 1 1 83 83 PHE HA H 83 4.618 4.618 4.719 -0.101 25098 3135 1 8 . 1 1 83 83 PHE CA C 83 57.454 57.454 58.582 -1.128 25098 3136 1 8 . 1 1 83 83 PHE CB C 83 41.445 41.445 40.802 0.643 25098 3137 1 8 . 1 1 83 83 PHE H H 83 7.434 7.434 7.844 -0.410 25098 3138 1 8 . 1 1 84 84 GLY N N 84 108.212 108.212 109.345 -1.133 25098 3139 1 8 . 1 1 84 84 GLY CA C 84 46.552 46.552 45.537 1.015 25098 3140 1 8 . 1 1 84 84 GLY H H 84 7.677 7.677 8.658 -0.981 25098 3141 1 8 . 1 1 85 85 VAL N N 85 117.875 117.875 122.515 -4.640 25098 3142 1 8 . 1 1 85 85 VAL HA H 85 4.270 4.270 4.151 0.119 25098 3143 1 8 . 1 1 85 85 VAL CA C 85 61.664 61.664 61.711 -0.047 25098 3144 1 8 . 1 1 85 85 VAL CB C 85 34.286 34.286 32.707 1.579 25098 3145 1 8 . 1 1 85 85 VAL H H 85 7.075 7.075 7.488 -0.413 25098 3146 1 8 . 1 1 86 86 HIS N N 86 129.355 129.355 124.344 5.011 25098 3147 1 8 . 1 1 86 86 HIS HA H 86 5.204 5.204 5.588 -0.384 25098 3148 1 8 . 1 1 86 86 HIS CA C 86 55.513 55.513 53.273 2.240 25098 3149 1 8 . 1 1 86 86 HIS CB C 86 31.131 31.131 30.808 0.323 25098 3150 1 8 . 1 1 86 86 HIS H H 86 8.921 8.921 8.342 0.579 25098 3151 1 8 . 1 1 87 87 ALA N N 87 126.717 126.717 126.454 0.263 25098 3152 1 8 . 1 1 87 87 ALA HA H 87 4.749 4.749 4.725 0.024 25098 3153 1 8 . 1 1 87 87 ALA CA C 87 50.886 50.886 50.583 0.303 25098 3154 1 8 . 1 1 87 87 ALA CB C 87 22.088 22.088 22.891 -0.803 25098 3155 1 8 . 1 1 87 87 ALA H H 87 8.799 8.799 9.200 -0.401 25098 3156 1 8 . 1 1 88 88 ASN N N 88 119.348 119.348 119.237 0.111 25098 3157 1 8 . 1 1 88 88 ASN HA H 88 5.125 5.125 4.979 0.146 25098 3158 1 8 . 1 1 88 88 ASN CA C 88 51.796 51.796 52.160 -0.364 25098 3159 1 8 . 1 1 88 88 ASN CB C 88 39.015 39.015 39.953 -0.938 25098 3160 1 8 . 1 1 88 88 ASN H H 88 8.230 8.230 8.371 -0.141 25098 3161 1 8 . 1 1 89 89 LEU N N 89 122.766 122.766 125.494 -2.728 25098 3162 1 8 . 1 1 89 89 LEU HA H 89 4.440 4.440 4.718 -0.278 25098 3163 1 8 . 1 1 89 89 LEU CA C 89 50.791 50.791 51.673 -0.882 25098 3164 1 8 . 1 1 89 89 LEU CB C 89 42.662 42.662 42.898 -0.236 25098 3165 1 8 . 1 1 89 89 LEU H H 89 8.356 8.356 8.839 -0.483 25098 3166 1 8 . 1 1 90 90 PRO HA H 90 4.434 4.434 4.581 -0.147 25098 3167 1 8 . 1 1 90 90 PRO CA C 90 61.669 61.669 62.190 -0.521 25098 3168 1 8 . 1 1 91 91 MET N N 91 121.751 121.751 125.578 -3.827 25098 3169 1 8 . 1 1 91 91 MET HA H 91 4.144 4.144 4.157 -0.013 25098 3170 1 8 . 1 1 91 91 MET CA C 91 55.460 55.460 55.461 -0.001 25098 3171 1 8 . 1 1 91 91 MET CB C 91 30.951 30.951 32.289 -1.338 25098 3172 1 8 . 1 1 91 91 MET H H 91 8.709 8.709 8.575 0.134 25098 3173 1 8 . 1 1 92 92 GLY N N 92 112.856 112.856 113.950 -1.094 25098 3174 1 8 . 1 1 92 92 GLY CA C 92 46.265 46.265 45.049 1.216 25098 3175 1 8 . 1 1 92 92 GLY H H 92 8.325 8.325 8.617 -0.292 25098 3176 1 8 . 1 1 93 93 GLU N N 93 116.930 116.930 118.944 -2.014 25098 3177 1 8 . 1 1 93 93 GLU HA H 93 4.747 4.747 4.741 0.006 25098 3178 1 8 . 1 1 93 93 GLU CA C 93 54.151 54.151 54.614 -0.463 25098 3179 1 8 . 1 1 93 93 GLU CB C 93 33.784 33.784 33.223 0.561 25098 3180 1 8 . 1 1 93 93 GLU H H 93 7.331 7.331 7.948 -0.617 25098 3181 1 8 . 1 1 94 94 GLU N N 94 119.837 119.837 119.329 0.508 25098 3182 1 8 . 1 1 94 94 GLU HA H 94 5.103 5.103 5.249 -0.146 25098 3183 1 8 . 1 1 94 94 GLU CA C 94 55.340 55.340 55.392 -0.052 25098 3184 1 8 . 1 1 94 94 GLU CB C 94 31.196 31.196 31.485 -0.289 25098 3185 1 8 . 1 1 94 94 GLU H H 94 8.418 8.418 8.681 -0.263 25098 3186 1 8 . 1 1 95 95 TYR N N 95 124.949 124.949 125.601 -0.652 25098 3187 1 8 . 1 1 95 95 TYR HA H 95 4.637 4.637 4.813 -0.176 25098 3188 1 8 . 1 1 95 95 TYR CA C 95 58.125 58.125 57.322 0.803 25098 3189 1 8 . 1 1 95 95 TYR CB C 95 43.144 43.144 41.709 1.435 25098 3190 1 8 . 1 1 95 95 TYR H H 95 9.059 9.059 9.285 -0.226 25098 3191 1 8 . 1 1 96 96 VAL N N 96 128.075 128.075 126.494 1.581 25098 3192 1 8 . 1 1 96 96 VAL HA H 96 4.440 4.440 4.980 -0.540 25098 3193 1 8 . 1 1 96 96 VAL CA C 96 61.772 61.772 60.022 1.750 25098 3194 1 8 . 1 1 96 96 VAL CB C 96 32.805 32.805 34.129 -1.324 25098 3195 1 8 . 1 1 96 96 VAL H H 96 7.795 7.795 8.256 -0.461 25098 3196 1 8 . 1 1 97 97 VAL N N 97 129.541 129.541 128.708 0.833 25098 3197 1 8 . 1 1 97 97 VAL HA H 97 3.917 3.917 4.278 -0.361 25098 3198 1 8 . 1 1 97 97 VAL CA C 97 61.821 61.821 60.742 1.079 25098 3199 1 8 . 1 1 97 97 VAL CB C 97 33.313 33.313 32.982 0.331 25098 3200 1 8 . 1 1 97 97 VAL H H 97 9.110 9.110 8.820 0.290 25098 3201 1 8 . 1 1 98 98 GLU N N 98 127.575 127.575 128.948 -1.373 25098 3202 1 8 . 1 1 98 98 GLU HA H 98 5.237 5.237 4.806 0.431 25098 3203 1 8 . 1 1 98 98 GLU CA C 98 54.576 54.576 56.193 -1.617 25098 3204 1 8 . 1 1 98 98 GLU CB C 98 30.995 30.995 30.370 0.625 25098 3205 1 8 . 1 1 98 98 GLU H H 98 8.166 8.166 8.702 -0.536 25098 3206 1 8 . 1 1 99 99 ILE N N 99 118.374 118.374 120.933 -2.559 25098 3207 1 8 . 1 1 99 99 ILE HA H 99 4.386 4.386 4.540 -0.154 25098 3208 1 8 . 1 1 99 99 ILE CA C 99 59.143 59.143 59.054 0.089 25098 3209 1 8 . 1 1 99 99 ILE CB C 99 43.580 43.580 41.919 1.661 25098 3210 1 8 . 1 1 99 99 ILE H H 99 7.881 7.881 8.837 -0.956 25098 3211 1 8 . 1 1 100 100 THR N N 100 119.619 119.619 117.468 2.151 25098 3212 1 8 . 1 1 100 100 THR HA H 100 4.717 4.717 5.106 -0.389 25098 3213 1 8 . 1 1 100 100 THR CA C 100 58.983 58.983 59.080 -0.097 25098 3214 1 8 . 1 1 100 100 THR CB C 100 69.121 69.121 69.453 -0.332 25098 3215 1 8 . 1 1 100 100 THR H H 100 8.885 8.885 8.396 0.489 25098 3216 1 8 . 1 1 101 101 PRO HA H 101 4.620 4.620 4.655 -0.035 25098 3217 1 8 . 1 1 101 101 PRO CA C 101 62.096 62.096 62.788 -0.692 25098 3218 1 8 . 1 1 101 101 PRO CB C 101 32.296 32.296 31.923 0.373 25098 3219 1 8 . 1 1 102 102 GLU N N 102 124.589 124.589 123.416 1.173 25098 3220 1 8 . 1 1 102 102 GLU HA H 102 4.379 4.379 4.396 -0.017 25098 3221 1 8 . 1 1 102 102 GLU CA C 102 56.649 56.649 56.336 0.313 25098 3222 1 8 . 1 1 102 102 GLU CB C 102 30.740 30.740 29.951 0.789 25098 3223 1 8 . 1 1 102 102 GLU H H 102 8.574 8.574 8.427 0.147 25098 3224 1 8 . 1 1 103 103 GLN N N 103 118.304 118.304 117.325 0.979 25098 3225 1 8 . 1 1 103 103 GLN HA H 103 4.662 4.662 4.503 0.159 25098 3226 1 8 . 1 1 103 103 GLN CA C 103 53.956 53.956 55.013 -1.057 25098 3227 1 8 . 1 1 103 103 GLN CB C 103 31.762 31.762 32.029 -0.267 25098 3228 1 8 . 1 1 103 103 GLN H H 103 8.518 8.518 7.609 0.909 25098 3229 1 8 . 1 1 104 104 ALA N N 104 124.603 124.603 126.616 -2.013 25098 3230 1 8 . 1 1 104 104 ALA HA H 104 4.195 4.195 4.679 -0.484 25098 3231 1 8 . 1 1 104 104 ALA CA C 104 51.886 51.886 52.077 -0.191 25098 3232 1 8 . 1 1 104 104 ALA CB C 104 19.377 19.377 19.339 0.038 25098 3233 1 8 . 1 1 104 104 ALA H H 104 8.575 8.575 8.490 0.085 25098 3234 1 8 . 1 1 105 105 GLY N N 105 108.486 108.486 111.903 -3.417 25098 3235 1 8 . 1 1 105 105 GLY CA C 105 44.726 44.726 45.320 -0.594 25098 3236 1 8 . 1 1 105 105 GLY H H 105 8.710 8.710 8.249 0.461 25098 3237 1 8 . 1 1 106 106 GLU N N 106 118.462 118.462 120.411 -1.949 25098 3238 1 8 . 1 1 106 106 GLU HA H 106 5.098 5.098 5.230 -0.132 25098 3239 1 8 . 1 1 106 106 GLU CA C 106 54.382 54.382 55.831 -1.450 25098 3240 1 8 . 1 1 106 106 GLU CB C 106 31.878 31.878 31.203 0.675 25098 3241 1 8 . 1 1 106 106 GLU H H 106 7.620 7.620 8.201 -0.581 25098 3242 1 8 . 1 1 107 107 PHE N N 107 123.388 123.388 125.263 -1.875 25098 3243 1 8 . 1 1 107 107 PHE HA H 107 4.999 4.999 4.856 0.143 25098 3244 1 8 . 1 1 107 107 PHE CA C 107 56.623 56.623 57.062 -0.438 25098 3245 1 8 . 1 1 107 107 PHE CB C 107 43.035 43.035 43.526 -0.491 25098 3246 1 8 . 1 1 107 107 PHE H H 107 9.381 9.381 9.539 -0.158 25098 3247 1 8 . 1 1 108 108 SER N N 108 117.621 117.621 115.236 2.385 25098 3248 1 8 . 1 1 108 108 SER HA H 108 5.137 5.137 5.291 -0.154 25098 3249 1 8 . 1 1 108 108 SER CA C 108 58.465 58.465 57.078 1.387 25098 3250 1 8 . 1 1 108 108 SER CB C 108 65.864 65.864 66.420 -0.556 25098 3251 1 8 . 1 1 108 108 SER H H 108 8.846 8.846 9.484 -0.638 25098 3252 1 8 . 1 1 109 109 PHE N N 109 116.119 116.119 115.523 0.596 25098 3253 1 8 . 1 1 109 109 PHE HA H 109 5.154 5.154 4.810 0.344 25098 3254 1 8 . 1 1 109 109 PHE CA C 109 55.800 55.800 56.541 -0.741 25098 3255 1 8 . 1 1 109 109 PHE CB C 109 39.858 39.858 40.828 -0.970 25098 3256 1 8 . 1 1 109 109 PHE H H 109 7.646 7.646 8.310 -0.664 25098 3257 1 8 . 1 1 110 110 ALA N N 110 121.615 121.615 124.238 -2.623 25098 3258 1 8 . 1 1 110 110 ALA HA H 110 5.258 5.258 5.003 0.255 25098 3259 1 8 . 1 1 110 110 ALA CA C 110 50.940 50.940 52.101 -1.161 25098 3260 1 8 . 1 1 110 110 ALA CB C 110 24.724 24.724 22.108 2.616 25098 3261 1 8 . 1 1 110 110 ALA H H 110 8.826 8.826 7.940 0.886 25098 3262 1 8 . 1 1 111 111 CYS N N 111 114.162 114.162 118.877 -4.715 25098 3263 1 8 . 1 1 111 111 CYS HA H 111 5.372 5.372 4.807 0.565 25098 3264 1 8 . 1 1 111 111 CYS CA C 111 55.651 55.651 58.138 -2.486 25098 3265 1 8 . 1 1 111 111 CYS CB C 111 33.551 33.551 29.659 3.892 25098 3266 1 8 . 1 1 111 111 CYS H H 111 7.820 7.820 8.887 -1.067 25098 3267 1 8 . 1 1 112 112 GLY N N 112 108.348 108.348 113.215 -4.867 25098 3268 1 8 . 1 1 112 112 GLY H H 112 8.277 8.277 8.593 -0.316 25098 3269 1 8 . 1 1 117 117 HIS N N 117 117.324 117.324 119.221 -1.897 25098 3270 1 8 . 1 1 117 117 HIS HA H 117 4.540 4.540 4.754 -0.214 25098 3271 1 8 . 1 1 117 117 HIS CA C 117 56.897 56.897 55.780 1.117 25098 3272 1 8 . 1 1 117 117 HIS CB C 117 29.675 29.675 32.007 -2.332 25098 3273 1 8 . 1 1 117 117 HIS H H 117 8.670 8.670 8.790 -0.120 25098 3274 1 8 . 1 1 118 118 GLY N N 118 109.716 109.716 110.799 -1.083 25098 3275 1 8 . 1 1 118 118 GLY CA C 118 43.143 43.143 44.500 -1.357 25098 3276 1 8 . 1 1 118 118 GLY H H 118 8.350 8.350 8.120 0.230 25098 3277 1 8 . 1 1 119 119 LYS N N 119 120.631 120.631 126.011 -5.380 25098 3278 1 8 . 1 1 119 119 LYS HA H 119 4.949 4.949 5.066 -0.117 25098 3279 1 8 . 1 1 119 119 LYS CA C 119 55.192 55.192 54.460 0.732 25098 3280 1 8 . 1 1 119 119 LYS CB C 119 36.931 36.931 37.144 -0.213 25098 3281 1 8 . 1 1 119 119 LYS H H 119 8.561 8.561 8.889 -0.328 25098 3282 1 8 . 1 1 120 120 MET N N 120 123.525 123.525 123.772 -0.247 25098 3283 1 8 . 1 1 120 120 MET HA H 120 5.565 5.565 5.330 0.235 25098 3284 1 8 . 1 1 120 120 MET CA C 120 53.142 53.142 54.871 -1.729 25098 3285 1 8 . 1 1 120 120 MET CB C 120 37.448 37.448 37.714 -0.266 25098 3286 1 8 . 1 1 120 120 MET H H 120 9.329 9.329 9.207 0.122 25098 3287 1 8 . 1 1 121 121 ILE N N 121 127.707 127.707 126.463 1.244 25098 3288 1 8 . 1 1 121 121 ILE HA H 121 4.890 4.890 4.996 -0.106 25098 3289 1 8 . 1 1 121 121 ILE CA C 121 60.048 60.048 60.290 -0.242 25098 3290 1 8 . 1 1 121 121 ILE CB C 121 39.806 39.806 40.260 -0.454 25098 3291 1 8 . 1 1 121 121 ILE H H 121 9.471 9.471 9.328 0.143 25098 3292 1 8 . 1 1 122 122 VAL N N 122 127.738 127.738 127.777 -0.039 25098 3293 1 8 . 1 1 122 122 VAL HA H 122 4.994 4.994 4.880 0.114 25098 3294 1 8 . 1 1 122 122 VAL CA C 122 60.618 60.618 61.194 -0.576 25098 3295 1 8 . 1 1 122 122 VAL CB C 122 33.297 33.297 32.713 0.584 25098 3296 1 8 . 1 1 122 122 VAL H H 122 9.350 9.350 9.092 0.258 25098 3297 1 9 . 1 1 28 28 MET N N 28 119.966 119.966 122.950 -2.984 25098 3298 1 9 . 1 1 28 28 MET H H 28 8.438 8.438 8.244 0.194 25098 3299 1 9 . 1 1 29 29 GLY N N 29 109.326 109.326 110.255 -0.929 25098 3300 1 9 . 1 1 29 29 GLY CA C 29 44.803 44.803 44.317 0.486 25098 3301 1 9 . 1 1 29 29 GLY H H 29 8.343 8.343 8.388 -0.045 25098 3302 1 9 . 1 1 30 30 GLN N N 30 121.171 121.171 119.477 1.694 25098 3303 1 9 . 1 1 30 30 GLN HA H 30 4.548 4.548 4.605 -0.057 25098 3304 1 9 . 1 1 30 30 GLN CA C 30 54.981 54.981 54.108 0.873 25098 3305 1 9 . 1 1 30 30 GLN CB C 30 30.824 30.824 32.408 -1.584 25098 3306 1 9 . 1 1 30 30 GLN H H 30 8.174 8.174 8.830 -0.656 25098 3307 1 9 . 1 1 31 31 LYS N N 31 125.160 125.160 125.636 -0.476 25098 3308 1 9 . 1 1 31 31 LYS HA H 31 4.829 4.829 4.357 0.472 25098 3309 1 9 . 1 1 31 31 LYS CA C 31 55.952 55.952 55.921 0.031 25098 3310 1 9 . 1 1 31 31 LYS CB C 31 33.322 33.322 33.409 -0.087 25098 3311 1 9 . 1 1 31 31 LYS H H 31 8.713 8.713 8.772 -0.059 25098 3312 1 9 . 1 1 32 32 ALA N N 32 123.842 123.842 129.452 -5.610 25098 3313 1 9 . 1 1 32 32 ALA HA H 32 4.125 4.125 4.234 -0.109 25098 3314 1 9 . 1 1 32 32 ALA CA C 32 52.301 52.301 52.040 0.261 25098 3315 1 9 . 1 1 32 32 ALA CB C 32 18.956 18.956 19.984 -1.028 25098 3316 1 9 . 1 1 32 32 ALA H H 32 8.152 8.152 8.119 0.033 25098 3317 1 9 . 1 1 33 33 GLN N N 33 121.807 121.807 120.643 1.164 25098 3318 1 9 . 1 1 33 33 GLN HA H 33 4.380 4.380 4.329 0.051 25098 3319 1 9 . 1 1 33 33 GLN CA C 33 55.299 55.299 55.333 -0.034 25098 3320 1 9 . 1 1 33 33 GLN CB C 33 29.835 29.835 29.732 0.103 25098 3321 1 9 . 1 1 33 33 GLN H H 33 8.808 8.808 8.493 0.315 25098 3322 1 9 . 1 1 34 34 GLN N N 34 124.320 124.320 123.860 0.460 25098 3323 1 9 . 1 1 34 34 GLN HA H 34 4.212 4.212 4.345 -0.133 25098 3324 1 9 . 1 1 34 34 GLN CA C 34 55.368 55.368 55.434 -0.066 25098 3325 1 9 . 1 1 34 34 GLN CB C 34 27.615 27.615 29.403 -1.788 25098 3326 1 9 . 1 1 34 34 GLN H H 34 9.025 9.025 8.518 0.507 25098 3327 1 9 . 1 1 35 35 LYS N N 35 126.662 126.662 123.578 3.084 25098 3328 1 9 . 1 1 35 35 LYS HA H 35 4.441 4.441 4.266 0.175 25098 3329 1 9 . 1 1 35 35 LYS CA C 35 54.126 54.126 54.319 -0.193 25098 3330 1 9 . 1 1 35 35 LYS CB C 35 31.475 31.475 32.885 -1.410 25098 3331 1 9 . 1 1 35 35 LYS H H 35 8.479 8.479 8.614 -0.135 25098 3332 1 9 . 1 1 36 36 ASN N N 36 118.026 118.026 118.574 -0.548 25098 3333 1 9 . 1 1 36 36 ASN HA H 36 4.611 4.611 4.523 0.088 25098 3334 1 9 . 1 1 36 36 ASN CA C 36 53.478 53.478 53.618 -0.140 25098 3335 1 9 . 1 1 36 36 ASN CB C 36 36.839 36.839 37.251 -0.412 25098 3336 1 9 . 1 1 36 36 ASN H H 36 8.062 8.062 8.160 -0.098 25098 3337 1 9 . 1 1 37 37 GLY N N 37 111.719 111.719 108.602 3.117 25098 3338 1 9 . 1 1 37 37 GLY CA C 37 45.230 45.230 45.536 -0.306 25098 3339 1 9 . 1 1 37 37 GLY H H 37 8.285 8.285 8.177 0.108 25098 3340 1 9 . 1 1 38 38 TYR N N 38 114.733 114.733 114.249 0.484 25098 3341 1 9 . 1 1 38 38 TYR HA H 38 5.107 5.107 5.301 -0.194 25098 3342 1 9 . 1 1 38 38 TYR CA C 38 55.398 55.398 55.204 0.194 25098 3343 1 9 . 1 1 38 38 TYR CB C 38 39.246 39.246 40.276 -1.030 25098 3344 1 9 . 1 1 38 38 TYR H H 38 7.158 7.158 7.164 -0.006 25098 3345 1 9 . 1 1 39 39 GLN N N 39 117.964 117.964 117.254 0.710 25098 3346 1 9 . 1 1 39 39 GLN HA H 39 5.472 5.472 5.119 0.353 25098 3347 1 9 . 1 1 39 39 GLN CA C 39 52.396 52.396 53.800 -1.404 25098 3348 1 9 . 1 1 39 39 GLN CB C 39 30.812 30.812 32.525 -1.713 25098 3349 1 9 . 1 1 39 39 GLN H H 39 9.401 9.401 8.942 0.459 25098 3350 1 9 . 1 1 40 40 GLU N N 40 123.527 123.527 121.549 1.978 25098 3351 1 9 . 1 1 40 40 GLU HA H 40 5.809 5.809 5.605 0.204 25098 3352 1 9 . 1 1 40 40 GLU CA C 40 54.574 54.574 54.741 -0.167 25098 3353 1 9 . 1 1 40 40 GLU CB C 40 35.999 35.999 34.445 1.554 25098 3354 1 9 . 1 1 40 40 GLU H H 40 9.027 9.027 8.936 0.091 25098 3355 1 9 . 1 1 41 41 ILE N N 41 124.884 124.884 123.129 1.755 25098 3356 1 9 . 1 1 41 41 ILE HA H 41 4.686 4.686 4.535 0.151 25098 3357 1 9 . 1 1 41 41 ILE CA C 41 59.126 59.126 60.258 -1.132 25098 3358 1 9 . 1 1 41 41 ILE CB C 41 42.658 42.658 42.054 0.604 25098 3359 1 9 . 1 1 41 41 ILE H H 41 8.503 8.503 8.238 0.265 25098 3360 1 9 . 1 1 42 42 ARG N N 42 127.316 127.316 129.208 -1.892 25098 3361 1 9 . 1 1 42 42 ARG HA H 42 5.136 5.136 4.502 0.634 25098 3362 1 9 . 1 1 42 42 ARG CA C 42 54.461 54.461 55.934 -1.474 25098 3363 1 9 . 1 1 42 42 ARG CB C 42 32.141 32.141 30.289 1.852 25098 3364 1 9 . 1 1 42 42 ARG H H 42 7.942 7.942 8.685 -0.743 25098 3365 1 9 . 1 1 43 43 VAL N N 43 126.060 126.060 128.654 -2.594 25098 3366 1 9 . 1 1 43 43 VAL HA H 43 4.357 4.357 4.156 0.201 25098 3367 1 9 . 1 1 43 43 VAL CA C 43 61.020 61.020 61.684 -0.663 25098 3368 1 9 . 1 1 43 43 VAL CB C 43 34.375 34.375 32.300 2.075 25098 3369 1 9 . 1 1 43 43 VAL H H 43 9.158 9.158 8.986 0.172 25098 3370 1 9 . 1 1 44 44 GLU N N 44 127.592 127.592 129.474 -1.882 25098 3371 1 9 . 1 1 44 44 GLU HA H 44 4.782 4.782 4.317 0.465 25098 3372 1 9 . 1 1 44 44 GLU CA C 44 55.944 55.944 56.649 -0.705 25098 3373 1 9 . 1 1 44 44 GLU CB C 44 31.779 31.779 30.151 1.628 25098 3374 1 9 . 1 1 44 44 GLU H H 44 9.086 9.086 8.931 0.155 25098 3375 1 9 . 1 1 45 45 VAL N N 45 126.323 126.323 128.558 -2.235 25098 3376 1 9 . 1 1 45 45 VAL HA H 45 4.910 4.910 4.727 0.183 25098 3377 1 9 . 1 1 45 45 VAL CA C 45 61.122 61.122 62.063 -0.941 25098 3378 1 9 . 1 1 45 45 VAL CB C 45 31.501 31.501 32.047 -0.546 25098 3379 1 9 . 1 1 45 45 VAL H H 45 8.617 8.617 8.959 -0.342 25098 3380 1 9 . 1 1 46 46 MET N N 46 127.658 127.658 124.635 3.023 25098 3381 1 9 . 1 1 46 46 MET HA H 46 4.755 4.755 4.814 -0.059 25098 3382 1 9 . 1 1 46 46 MET CA C 46 55.999 55.999 54.368 1.631 25098 3383 1 9 . 1 1 46 46 MET CB C 46 32.530 32.530 33.271 -0.741 25098 3384 1 9 . 1 1 46 46 MET H H 46 8.319 8.319 7.772 0.547 25098 3385 1 9 . 1 1 47 47 GLY N N 47 119.231 119.231 107.433 11.798 25098 3386 1 9 . 1 1 47 47 GLY CA C 47 46.863 46.863 44.892 1.971 25098 3387 1 9 . 1 1 47 47 GLY H H 47 10.065 10.065 8.617 1.448 25098 3388 1 9 . 1 1 48 48 GLY N N 48 102.924 102.924 105.475 -2.551 25098 3389 1 9 . 1 1 48 48 GLY CA C 48 43.176 43.176 44.802 -1.626 25098 3390 1 9 . 1 1 48 48 GLY H H 48 6.639 6.639 7.704 -1.065 25098 3391 1 9 . 1 1 49 49 TYR N N 49 120.115 120.115 119.389 0.726 25098 3392 1 9 . 1 1 49 49 TYR HA H 49 5.267 5.267 5.073 0.194 25098 3393 1 9 . 1 1 49 49 TYR CA C 49 56.991 56.991 57.356 -0.365 25098 3394 1 9 . 1 1 49 49 TYR CB C 49 40.490 40.490 39.597 0.893 25098 3395 1 9 . 1 1 49 49 TYR H H 49 8.364 8.364 8.323 0.041 25098 3396 1 9 . 1 1 50 50 THR N N 50 117.545 117.545 118.829 -1.284 25098 3397 1 9 . 1 1 50 50 THR HA H 50 4.742 4.742 4.392 0.350 25098 3398 1 9 . 1 1 50 50 THR CA C 50 59.224 59.224 64.478 -5.254 25098 3399 1 9 . 1 1 50 50 THR CB C 50 71.576 71.576 67.602 3.974 25098 3400 1 9 . 1 1 50 50 THR H H 50 8.574 8.574 8.366 0.208 25098 3401 1 9 . 1 1 51 51 PRO HA H 51 4.928 4.928 4.574 0.354 25098 3402 1 9 . 1 1 51 51 PRO CA C 51 63.206 63.206 62.867 0.339 25098 3403 1 9 . 1 1 51 51 PRO CB C 51 34.946 34.946 31.391 3.555 25098 3404 1 9 . 1 1 52 52 GLU N N 52 114.661 114.661 122.098 -7.437 25098 3405 1 9 . 1 1 52 52 GLU HA H 52 4.468 4.468 3.977 0.491 25098 3406 1 9 . 1 1 52 52 GLU CA C 52 55.828 55.828 58.849 -3.022 25098 3407 1 9 . 1 1 52 52 GLU CB C 52 30.239 30.239 29.864 0.374 25098 3408 1 9 . 1 1 52 52 GLU H H 52 8.351 8.351 8.471 -0.120 25098 3409 1 9 . 1 1 53 53 LEU N N 53 123.273 123.273 116.117 7.156 25098 3410 1 9 . 1 1 53 53 LEU HA H 53 5.504 5.504 5.534 -0.030 25098 3411 1 9 . 1 1 53 53 LEU CA C 53 54.005 54.005 52.634 1.371 25098 3412 1 9 . 1 1 53 53 LEU CB C 53 44.276 44.276 44.151 0.125 25098 3413 1 9 . 1 1 53 53 LEU H H 53 7.476 7.476 7.555 -0.079 25098 3414 1 9 . 1 1 54 54 ILE N N 54 121.159 121.159 119.897 1.262 25098 3415 1 9 . 1 1 54 54 ILE HA H 54 5.238 5.238 5.215 0.023 25098 3416 1 9 . 1 1 54 54 ILE CA C 54 59.006 59.006 59.357 -0.351 25098 3417 1 9 . 1 1 54 54 ILE CB C 54 41.979 41.979 39.109 2.870 25098 3418 1 9 . 1 1 54 54 ILE H H 54 8.732 8.732 9.317 -0.585 25098 3419 1 9 . 1 1 55 55 VAL N N 55 123.295 123.295 126.355 -3.060 25098 3420 1 9 . 1 1 55 55 VAL HA H 55 5.138 5.138 4.942 0.196 25098 3421 1 9 . 1 1 55 55 VAL CA C 55 61.216 61.216 61.996 -0.780 25098 3422 1 9 . 1 1 55 55 VAL CB C 55 33.376 33.376 32.341 1.035 25098 3423 1 9 . 1 1 55 55 VAL H H 55 8.456 8.456 8.883 -0.427 25098 3424 1 9 . 1 1 56 56 LEU N N 56 129.681 129.681 127.367 2.314 25098 3425 1 9 . 1 1 56 56 LEU HA H 56 4.637 4.637 5.061 -0.424 25098 3426 1 9 . 1 1 56 56 LEU CA C 56 53.044 53.044 53.450 -0.406 25098 3427 1 9 . 1 1 56 56 LEU CB C 56 45.712 45.712 46.614 -0.902 25098 3428 1 9 . 1 1 56 56 LEU H H 56 9.646 9.646 9.274 0.372 25098 3429 1 9 . 1 1 57 57 LYS N N 57 121.874 121.874 119.690 2.184 25098 3430 1 9 . 1 1 57 57 LYS HA H 57 4.815 4.815 4.662 0.153 25098 3431 1 9 . 1 1 57 57 LYS CA C 57 55.095 55.095 55.137 -0.042 25098 3432 1 9 . 1 1 57 57 LYS CB C 57 33.701 33.701 34.073 -0.372 25098 3433 1 9 . 1 1 57 57 LYS H H 57 9.619 9.619 8.880 0.739 25098 3434 1 9 . 1 1 58 58 LYS N N 58 124.865 124.865 120.816 4.049 25098 3435 1 9 . 1 1 58 58 LYS HA H 58 3.714 3.714 4.562 -0.848 25098 3436 1 9 . 1 1 58 58 LYS CA C 58 57.532 57.532 55.482 2.050 25098 3437 1 9 . 1 1 58 58 LYS CB C 58 33.246 33.246 34.141 -0.895 25098 3438 1 9 . 1 1 58 58 LYS H H 58 8.793 8.793 7.948 0.845 25098 3439 1 9 . 1 1 59 59 SER N N 59 113.482 113.482 117.866 -4.384 25098 3440 1 9 . 1 1 59 59 SER HA H 59 4.084 4.084 4.094 -0.010 25098 3441 1 9 . 1 1 59 59 SER CA C 59 61.005 61.005 59.793 1.212 25098 3442 1 9 . 1 1 59 59 SER CB C 59 60.917 60.917 62.689 -1.772 25098 3443 1 9 . 1 1 59 59 SER H H 59 8.946 8.946 9.060 -0.114 25098 3444 1 9 . 1 1 60 60 VAL N N 60 123.081 123.081 121.745 1.336 25098 3445 1 9 . 1 1 60 60 VAL HA H 60 4.448 4.448 4.584 -0.136 25098 3446 1 9 . 1 1 60 60 VAL CA C 60 59.101 59.101 58.111 0.990 25098 3447 1 9 . 1 1 60 60 VAL CB C 60 33.818 33.818 34.920 -1.102 25098 3448 1 9 . 1 1 60 60 VAL H H 60 6.974 6.974 7.487 -0.513 25098 3449 1 9 . 1 1 61 61 PRO HA H 61 4.405 4.405 4.583 -0.178 25098 3450 1 9 . 1 1 61 61 PRO CA C 61 64.752 64.752 62.856 1.896 25098 3451 1 9 . 1 1 61 61 PRO CB C 61 32.273 32.273 31.354 0.919 25098 3452 1 9 . 1 1 62 62 ALA N N 62 124.881 124.881 126.540 -1.659 25098 3453 1 9 . 1 1 62 62 ALA HA H 62 5.452 5.452 5.289 0.163 25098 3454 1 9 . 1 1 62 62 ALA CA C 62 49.746 49.746 50.263 -0.517 25098 3455 1 9 . 1 1 62 62 ALA CB C 62 22.483 22.483 22.732 -0.249 25098 3456 1 9 . 1 1 62 62 ALA H H 62 9.244 9.244 9.153 0.091 25098 3457 1 9 . 1 1 63 63 ARG N N 63 122.869 122.869 122.530 0.339 25098 3458 1 9 . 1 1 63 63 ARG HA H 63 4.498 4.498 5.437 -0.939 25098 3459 1 9 . 1 1 63 63 ARG CA C 63 55.022 55.022 53.532 1.490 25098 3460 1 9 . 1 1 63 63 ARG CB C 63 31.637 31.637 32.755 -1.118 25098 3461 1 9 . 1 1 63 63 ARG H H 63 8.858 8.858 9.108 -0.250 25098 3462 1 9 . 1 1 64 64 ILE N N 64 125.797 125.797 125.332 0.465 25098 3463 1 9 . 1 1 64 64 ILE HA H 64 4.367 4.367 4.189 0.178 25098 3464 1 9 . 1 1 64 64 ILE CA C 64 60.028 60.028 58.486 1.542 25098 3465 1 9 . 1 1 64 64 ILE CB C 64 37.499 37.499 37.106 0.393 25098 3466 1 9 . 1 1 64 64 ILE H H 64 9.033 9.033 8.876 0.157 25098 3467 1 9 . 1 1 65 65 VAL N N 65 127.998 127.998 128.725 -0.727 25098 3468 1 9 . 1 1 65 65 VAL HA H 65 4.122 4.122 4.155 -0.033 25098 3469 1 9 . 1 1 65 65 VAL CA C 65 61.697 61.697 62.386 -0.689 25098 3470 1 9 . 1 1 65 65 VAL CB C 65 32.480 32.480 31.411 1.069 25098 3471 1 9 . 1 1 65 65 VAL H H 65 8.800 8.800 8.843 -0.043 25098 3472 1 9 . 1 1 66 66 PHE N N 66 126.431 126.431 128.557 -2.126 25098 3473 1 9 . 1 1 66 66 PHE HA H 66 5.190 5.190 5.215 -0.025 25098 3474 1 9 . 1 1 66 66 PHE CA C 66 58.012 58.012 56.876 1.136 25098 3475 1 9 . 1 1 66 66 PHE CB C 66 41.731 41.731 39.919 1.812 25098 3476 1 9 . 1 1 66 66 PHE H H 66 9.536 9.536 9.428 0.108 25098 3477 1 9 . 1 1 67 67 ASP N N 67 123.469 123.469 125.849 -2.380 25098 3478 1 9 . 1 1 67 67 ASP HA H 67 4.986 4.986 5.040 -0.054 25098 3479 1 9 . 1 1 67 67 ASP CA C 67 52.158 52.158 53.876 -1.718 25098 3480 1 9 . 1 1 67 67 ASP CB C 67 42.083 42.083 42.534 -0.451 25098 3481 1 9 . 1 1 67 67 ASP H H 67 8.806 8.806 8.788 0.018 25098 3482 1 9 . 1 1 68 68 ARG N N 68 124.864 124.864 128.573 -3.709 25098 3483 1 9 . 1 1 68 68 ARG HA H 68 4.760 4.760 4.287 0.473 25098 3484 1 9 . 1 1 68 68 ARG CA C 68 58.018 58.018 56.547 1.471 25098 3485 1 9 . 1 1 68 68 ARG CB C 68 30.605 30.605 29.904 0.701 25098 3486 1 9 . 1 1 68 68 ARG H H 68 8.598 8.598 8.469 0.129 25098 3487 1 9 . 1 1 69 69 LYS N N 69 126.910 126.910 127.446 -0.536 25098 3488 1 9 . 1 1 69 69 LYS HA H 69 4.662 4.662 4.397 0.265 25098 3489 1 9 . 1 1 69 69 LYS CA C 69 55.222 55.222 56.581 -1.359 25098 3490 1 9 . 1 1 69 69 LYS CB C 69 34.788 34.788 33.657 1.131 25098 3491 1 9 . 1 1 69 69 LYS H H 69 8.348 8.348 8.863 -0.515 25098 3492 1 9 . 1 1 70 70 ASP N N 70 119.420 119.420 119.604 -0.184 25098 3493 1 9 . 1 1 70 70 ASP HA H 70 5.085 5.085 4.938 0.147 25098 3494 1 9 . 1 1 70 70 ASP CA C 70 49.872 49.872 51.236 -1.364 25098 3495 1 9 . 1 1 70 70 ASP CB C 70 45.194 45.194 43.109 2.085 25098 3496 1 9 . 1 1 70 70 ASP H H 70 6.675 6.675 7.874 -1.199 25098 3497 1 9 . 1 1 71 71 PRO HA H 71 4.589 4.589 4.514 0.075 25098 3498 1 9 . 1 1 71 71 PRO CA C 71 63.781 63.781 62.540 1.241 25098 3499 1 9 . 1 1 72 72 SER N N 72 121.578 121.578 116.700 4.878 25098 3500 1 9 . 1 1 72 72 SER HA H 72 4.462 4.462 4.468 -0.006 25098 3501 1 9 . 1 1 72 72 SER CA C 72 57.029 57.029 55.628 1.401 25098 3502 1 9 . 1 1 72 72 SER CB C 72 63.781 63.781 64.563 -0.782 25098 3503 1 9 . 1 1 72 72 SER H H 72 8.624 8.624 7.612 1.012 25098 3504 1 9 . 1 1 73 73 PRO HA H 73 4.348 4.348 4.360 -0.012 25098 3505 1 9 . 1 1 73 73 PRO CA C 73 64.297 64.297 64.535 -0.238 25098 3506 1 9 . 1 1 74 74 CYS N N 74 114.456 114.456 116.233 -1.777 25098 3507 1 9 . 1 1 74 74 CYS HA H 74 4.320 4.320 4.372 -0.052 25098 3508 1 9 . 1 1 74 74 CYS CA C 74 60.192 60.192 60.133 0.059 25098 3509 1 9 . 1 1 74 74 CYS CB C 74 27.035 27.035 27.041 -0.006 25098 3510 1 9 . 1 1 74 74 CYS H H 74 8.010 8.010 7.707 0.303 25098 3511 1 9 . 1 1 75 75 LEU N N 75 120.476 120.476 117.219 3.257 25098 3512 1 9 . 1 1 75 75 LEU HA H 75 4.546 4.546 4.482 0.064 25098 3513 1 9 . 1 1 75 75 LEU CA C 75 53.987 53.987 53.912 0.075 25098 3514 1 9 . 1 1 75 75 LEU CB C 75 41.083 41.083 42.621 -1.538 25098 3515 1 9 . 1 1 75 75 LEU H H 75 7.629 7.629 7.320 0.309 25098 3516 1 9 . 1 1 76 76 ASP N N 76 117.861 117.861 119.385 -1.524 25098 3517 1 9 . 1 1 76 76 ASP HA H 76 4.466 4.466 4.366 0.100 25098 3518 1 9 . 1 1 76 76 ASP CB C 76 41.608 41.608 41.869 -0.261 25098 3519 1 9 . 1 1 76 76 ASP H H 76 7.465 7.465 7.401 0.064 25098 3520 1 9 . 1 1 77 77 GLN HA H 77 5.368 5.368 4.716 0.652 25098 3521 1 9 . 1 1 77 77 GLN CA C 77 53.830 53.830 55.000 -1.170 25098 3522 1 9 . 1 1 77 77 GLN CB C 77 33.290 33.290 33.271 0.019 25098 3523 1 9 . 1 1 78 78 ILE N N 78 123.134 123.134 120.369 2.765 25098 3524 1 9 . 1 1 78 78 ILE HA H 78 4.893 4.893 4.452 0.441 25098 3525 1 9 . 1 1 78 78 ILE CA C 78 56.862 56.862 60.080 -3.218 25098 3526 1 9 . 1 1 78 78 ILE CB C 78 42.611 42.611 41.821 0.790 25098 3527 1 9 . 1 1 78 78 ILE H H 78 9.043 9.043 9.003 0.040 25098 3528 1 9 . 1 1 79 79 VAL N N 79 125.068 125.068 128.851 -3.783 25098 3529 1 9 . 1 1 79 79 VAL HA H 79 4.911 4.911 5.429 -0.518 25098 3530 1 9 . 1 1 79 79 VAL CB C 79 35.336 35.336 35.484 -0.149 25098 3531 1 9 . 1 1 79 79 VAL H H 79 8.911 8.911 8.163 0.748 25098 3532 1 9 . 1 1 80 80 PHE N N 80 123.479 123.479 128.526 -5.047 25098 3533 1 9 . 1 1 80 80 PHE HA H 80 5.574 5.574 5.279 0.295 25098 3534 1 9 . 1 1 80 80 PHE CA C 80 53.684 53.684 55.639 -1.955 25098 3535 1 9 . 1 1 80 80 PHE CB C 80 39.905 39.905 39.436 0.469 25098 3536 1 9 . 1 1 80 80 PHE H H 80 8.628 8.628 9.595 -0.967 25098 3537 1 9 . 1 1 81 81 PRO HA H 81 4.427 4.427 4.415 0.012 25098 3538 1 9 . 1 1 81 81 PRO CA C 81 65.254 65.254 65.143 0.111 25098 3539 1 9 . 1 1 81 81 PRO CB C 81 32.319 32.319 31.559 0.760 25098 3540 1 9 . 1 1 82 82 ASP N N 82 114.119 114.119 116.806 -2.687 25098 3541 1 9 . 1 1 82 82 ASP HA H 82 4.484 4.484 4.771 -0.287 25098 3542 1 9 . 1 1 82 82 ASP CA C 82 55.569 55.569 55.454 0.115 25098 3543 1 9 . 1 1 82 82 ASP CB C 82 41.625 41.625 41.769 -0.144 25098 3544 1 9 . 1 1 82 82 ASP H H 82 8.692 8.692 8.608 0.084 25098 3545 1 9 . 1 1 83 83 PHE N N 83 113.198 113.198 118.644 -5.446 25098 3546 1 9 . 1 1 83 83 PHE HA H 83 4.618 4.618 4.734 -0.116 25098 3547 1 9 . 1 1 83 83 PHE CA C 83 57.454 57.454 58.728 -1.274 25098 3548 1 9 . 1 1 83 83 PHE CB C 83 41.445 41.445 40.946 0.499 25098 3549 1 9 . 1 1 83 83 PHE H H 83 7.434 7.434 7.837 -0.403 25098 3550 1 9 . 1 1 84 84 GLY N N 84 108.212 108.212 108.982 -0.770 25098 3551 1 9 . 1 1 84 84 GLY CA C 84 46.552 46.552 45.570 0.982 25098 3552 1 9 . 1 1 84 84 GLY H H 84 7.677 7.677 8.585 -0.908 25098 3553 1 9 . 1 1 85 85 VAL N N 85 117.875 117.875 122.346 -4.471 25098 3554 1 9 . 1 1 85 85 VAL HA H 85 4.270 4.270 4.145 0.125 25098 3555 1 9 . 1 1 85 85 VAL CA C 85 61.664 61.664 61.660 0.004 25098 3556 1 9 . 1 1 85 85 VAL CB C 85 34.286 34.286 33.358 0.928 25098 3557 1 9 . 1 1 85 85 VAL H H 85 7.075 7.075 7.446 -0.371 25098 3558 1 9 . 1 1 86 86 HIS N N 86 129.355 129.355 124.598 4.757 25098 3559 1 9 . 1 1 86 86 HIS HA H 86 5.204 5.204 5.645 -0.441 25098 3560 1 9 . 1 1 86 86 HIS CA C 86 55.513 55.513 53.364 2.149 25098 3561 1 9 . 1 1 86 86 HIS CB C 86 31.131 31.131 30.363 0.768 25098 3562 1 9 . 1 1 86 86 HIS H H 86 8.921 8.921 8.290 0.631 25098 3563 1 9 . 1 1 87 87 ALA N N 87 126.717 126.717 126.565 0.152 25098 3564 1 9 . 1 1 87 87 ALA HA H 87 4.749 4.749 4.733 0.016 25098 3565 1 9 . 1 1 87 87 ALA CA C 87 50.886 50.886 50.715 0.171 25098 3566 1 9 . 1 1 87 87 ALA CB C 87 22.088 22.088 22.274 -0.186 25098 3567 1 9 . 1 1 87 87 ALA H H 87 8.799 8.799 9.287 -0.488 25098 3568 1 9 . 1 1 88 88 ASN N N 88 119.348 119.348 117.470 1.878 25098 3569 1 9 . 1 1 88 88 ASN HA H 88 5.125 5.125 4.829 0.296 25098 3570 1 9 . 1 1 88 88 ASN CA C 88 51.796 51.796 51.909 -0.113 25098 3571 1 9 . 1 1 88 88 ASN CB C 88 39.015 39.015 40.626 -1.611 25098 3572 1 9 . 1 1 88 88 ASN H H 88 8.230 8.230 8.166 0.064 25098 3573 1 9 . 1 1 89 89 LEU N N 89 122.766 122.766 121.421 1.345 25098 3574 1 9 . 1 1 89 89 LEU HA H 89 4.440 4.440 4.781 -0.341 25098 3575 1 9 . 1 1 89 89 LEU CA C 89 50.791 50.791 51.802 -1.011 25098 3576 1 9 . 1 1 89 89 LEU CB C 89 42.662 42.662 42.493 0.169 25098 3577 1 9 . 1 1 89 89 LEU H H 89 8.356 8.356 8.689 -0.333 25098 3578 1 9 . 1 1 90 90 PRO HA H 90 4.434 4.434 4.475 -0.041 25098 3579 1 9 . 1 1 90 90 PRO CA C 90 61.669 61.669 62.256 -0.587 25098 3580 1 9 . 1 1 91 91 MET N N 91 121.751 121.751 125.465 -3.714 25098 3581 1 9 . 1 1 91 91 MET HA H 91 4.144 4.144 4.121 0.023 25098 3582 1 9 . 1 1 91 91 MET CA C 91 55.460 55.460 55.379 0.081 25098 3583 1 9 . 1 1 91 91 MET CB C 91 30.951 30.951 32.197 -1.246 25098 3584 1 9 . 1 1 91 91 MET H H 91 8.709 8.709 8.501 0.208 25098 3585 1 9 . 1 1 92 92 GLY N N 92 112.856 112.856 113.930 -1.074 25098 3586 1 9 . 1 1 92 92 GLY CA C 92 46.265 46.265 44.970 1.295 25098 3587 1 9 . 1 1 92 92 GLY H H 92 8.325 8.325 8.656 -0.331 25098 3588 1 9 . 1 1 93 93 GLU N N 93 116.930 116.930 118.873 -1.943 25098 3589 1 9 . 1 1 93 93 GLU HA H 93 4.747 4.747 4.683 0.064 25098 3590 1 9 . 1 1 93 93 GLU CA C 93 54.151 54.151 54.414 -0.264 25098 3591 1 9 . 1 1 93 93 GLU CB C 93 33.784 33.784 33.424 0.360 25098 3592 1 9 . 1 1 93 93 GLU H H 93 7.331 7.331 7.878 -0.547 25098 3593 1 9 . 1 1 94 94 GLU N N 94 119.837 119.837 118.894 0.943 25098 3594 1 9 . 1 1 94 94 GLU HA H 94 5.103 5.103 5.271 -0.168 25098 3595 1 9 . 1 1 94 94 GLU CA C 94 55.340 55.340 54.775 0.565 25098 3596 1 9 . 1 1 94 94 GLU CB C 94 31.196 31.196 31.743 -0.547 25098 3597 1 9 . 1 1 94 94 GLU H H 94 8.418 8.418 8.520 -0.102 25098 3598 1 9 . 1 1 95 95 TYR N N 95 124.949 124.949 125.353 -0.404 25098 3599 1 9 . 1 1 95 95 TYR HA H 95 4.637 4.637 4.713 -0.076 25098 3600 1 9 . 1 1 95 95 TYR CA C 95 58.125 58.125 57.518 0.607 25098 3601 1 9 . 1 1 95 95 TYR CB C 95 43.144 43.144 40.770 2.374 25098 3602 1 9 . 1 1 95 95 TYR H H 95 9.059 9.059 9.151 -0.092 25098 3603 1 9 . 1 1 96 96 VAL N N 96 128.075 128.075 127.165 0.910 25098 3604 1 9 . 1 1 96 96 VAL HA H 96 4.440 4.440 4.873 -0.433 25098 3605 1 9 . 1 1 96 96 VAL CA C 96 61.772 61.772 59.707 2.065 25098 3606 1 9 . 1 1 96 96 VAL CB C 96 32.805 32.805 33.984 -1.179 25098 3607 1 9 . 1 1 96 96 VAL H H 96 7.795 7.795 8.259 -0.464 25098 3608 1 9 . 1 1 97 97 VAL N N 97 129.541 129.541 129.747 -0.206 25098 3609 1 9 . 1 1 97 97 VAL HA H 97 3.917 3.917 4.262 -0.345 25098 3610 1 9 . 1 1 97 97 VAL CA C 97 61.821 61.821 61.366 0.455 25098 3611 1 9 . 1 1 97 97 VAL CB C 97 33.313 33.313 33.507 -0.194 25098 3612 1 9 . 1 1 97 97 VAL H H 97 9.110 9.110 8.973 0.137 25098 3613 1 9 . 1 1 98 98 GLU N N 98 127.575 127.575 128.991 -1.416 25098 3614 1 9 . 1 1 98 98 GLU HA H 98 5.237 5.237 4.749 0.488 25098 3615 1 9 . 1 1 98 98 GLU CA C 98 54.576 54.576 56.240 -1.665 25098 3616 1 9 . 1 1 98 98 GLU CB C 98 30.995 30.995 30.270 0.725 25098 3617 1 9 . 1 1 98 98 GLU H H 98 8.166 8.166 8.667 -0.501 25098 3618 1 9 . 1 1 99 99 ILE N N 99 118.374 118.374 122.017 -3.643 25098 3619 1 9 . 1 1 99 99 ILE HA H 99 4.386 4.386 4.554 -0.168 25098 3620 1 9 . 1 1 99 99 ILE CA C 99 59.143 59.143 58.812 0.331 25098 3621 1 9 . 1 1 99 99 ILE CB C 99 43.580 43.580 41.806 1.774 25098 3622 1 9 . 1 1 99 99 ILE H H 99 7.881 7.881 8.848 -0.967 25098 3623 1 9 . 1 1 100 100 THR N N 100 119.619 119.619 117.450 2.169 25098 3624 1 9 . 1 1 100 100 THR HA H 100 4.717 4.717 4.840 -0.123 25098 3625 1 9 . 1 1 100 100 THR CA C 100 58.983 58.983 59.173 -0.190 25098 3626 1 9 . 1 1 100 100 THR CB C 100 69.121 69.121 69.061 0.060 25098 3627 1 9 . 1 1 100 100 THR H H 100 8.885 8.885 8.368 0.517 25098 3628 1 9 . 1 1 101 101 PRO HA H 101 4.620 4.620 4.644 -0.024 25098 3629 1 9 . 1 1 101 101 PRO CA C 101 62.096 62.096 62.875 -0.779 25098 3630 1 9 . 1 1 101 101 PRO CB C 101 32.296 32.296 31.873 0.423 25098 3631 1 9 . 1 1 102 102 GLU N N 102 124.589 124.589 124.144 0.445 25098 3632 1 9 . 1 1 102 102 GLU HA H 102 4.379 4.379 4.350 0.029 25098 3633 1 9 . 1 1 102 102 GLU CA C 102 56.649 56.649 57.474 -0.825 25098 3634 1 9 . 1 1 102 102 GLU CB C 102 30.740 30.740 30.496 0.244 25098 3635 1 9 . 1 1 102 102 GLU H H 102 8.574 8.574 8.340 0.234 25098 3636 1 9 . 1 1 103 103 GLN N N 103 118.304 118.304 117.454 0.850 25098 3637 1 9 . 1 1 103 103 GLN HA H 103 4.662 4.662 4.616 0.046 25098 3638 1 9 . 1 1 103 103 GLN CA C 103 53.956 53.956 54.476 -0.520 25098 3639 1 9 . 1 1 103 103 GLN CB C 103 31.762 31.762 32.147 -0.385 25098 3640 1 9 . 1 1 103 103 GLN H H 103 8.518 8.518 7.717 0.801 25098 3641 1 9 . 1 1 104 104 ALA N N 104 124.603 124.603 126.280 -1.677 25098 3642 1 9 . 1 1 104 104 ALA HA H 104 4.195 4.195 4.590 -0.395 25098 3643 1 9 . 1 1 104 104 ALA CA C 104 51.886 51.886 52.071 -0.185 25098 3644 1 9 . 1 1 104 104 ALA CB C 104 19.377 19.377 19.364 0.013 25098 3645 1 9 . 1 1 104 104 ALA H H 104 8.575 8.575 8.507 0.068 25098 3646 1 9 . 1 1 105 105 GLY N N 105 108.486 108.486 111.847 -3.361 25098 3647 1 9 . 1 1 105 105 GLY CA C 105 44.726 44.726 45.315 -0.589 25098 3648 1 9 . 1 1 105 105 GLY H H 105 8.710 8.710 8.134 0.576 25098 3649 1 9 . 1 1 106 106 GLU N N 106 118.462 118.462 120.601 -2.139 25098 3650 1 9 . 1 1 106 106 GLU HA H 106 5.098 5.098 5.303 -0.205 25098 3651 1 9 . 1 1 106 106 GLU CA C 106 54.382 54.382 55.714 -1.332 25098 3652 1 9 . 1 1 106 106 GLU CB C 106 31.878 31.878 31.230 0.648 25098 3653 1 9 . 1 1 106 106 GLU H H 106 7.620 7.620 8.213 -0.593 25098 3654 1 9 . 1 1 107 107 PHE N N 107 123.388 123.388 125.095 -1.707 25098 3655 1 9 . 1 1 107 107 PHE HA H 107 4.999 4.999 5.258 -0.259 25098 3656 1 9 . 1 1 107 107 PHE CA C 107 56.623 56.623 56.611 0.012 25098 3657 1 9 . 1 1 107 107 PHE CB C 107 43.035 43.035 43.287 -0.252 25098 3658 1 9 . 1 1 107 107 PHE H H 107 9.381 9.381 9.554 -0.173 25098 3659 1 9 . 1 1 108 108 SER N N 108 117.621 117.621 114.747 2.874 25098 3660 1 9 . 1 1 108 108 SER HA H 108 5.137 5.137 5.258 -0.121 25098 3661 1 9 . 1 1 108 108 SER CA C 108 58.465 58.465 57.599 0.866 25098 3662 1 9 . 1 1 108 108 SER CB C 108 65.864 65.864 66.327 -0.463 25098 3663 1 9 . 1 1 108 108 SER H H 108 8.846 8.846 9.204 -0.358 25098 3664 1 9 . 1 1 109 109 PHE N N 109 116.119 116.119 115.077 1.042 25098 3665 1 9 . 1 1 109 109 PHE HA H 109 5.154 5.154 4.844 0.310 25098 3666 1 9 . 1 1 109 109 PHE CA C 109 55.800 55.800 56.266 -0.466 25098 3667 1 9 . 1 1 109 109 PHE CB C 109 39.858 39.858 40.991 -1.133 25098 3668 1 9 . 1 1 109 109 PHE H H 109 7.646 7.646 8.439 -0.793 25098 3669 1 9 . 1 1 110 110 ALA N N 110 121.615 121.615 124.797 -3.182 25098 3670 1 9 . 1 1 110 110 ALA HA H 110 5.258 5.258 4.935 0.323 25098 3671 1 9 . 1 1 110 110 ALA CA C 110 50.940 50.940 51.916 -0.976 25098 3672 1 9 . 1 1 110 110 ALA CB C 110 24.724 24.724 22.400 2.324 25098 3673 1 9 . 1 1 110 110 ALA H H 110 8.826 8.826 7.986 0.841 25098 3674 1 9 . 1 1 111 111 CYS N N 111 114.162 114.162 120.518 -6.356 25098 3675 1 9 . 1 1 111 111 CYS HA H 111 5.372 5.372 4.734 0.638 25098 3676 1 9 . 1 1 111 111 CYS CA C 111 55.651 55.651 58.459 -2.808 25098 3677 1 9 . 1 1 111 111 CYS CB C 111 33.551 33.551 29.584 3.967 25098 3678 1 9 . 1 1 111 111 CYS H H 111 7.820 7.820 9.067 -1.247 25098 3679 1 9 . 1 1 112 112 GLY N N 112 108.348 108.348 114.989 -6.641 25098 3680 1 9 . 1 1 112 112 GLY H H 112 8.277 8.277 8.350 -0.073 25098 3681 1 9 . 1 1 117 117 HIS N N 117 117.324 117.324 118.186 -0.862 25098 3682 1 9 . 1 1 117 117 HIS HA H 117 4.540 4.540 5.075 -0.535 25098 3683 1 9 . 1 1 117 117 HIS CA C 117 56.897 56.897 54.620 2.277 25098 3684 1 9 . 1 1 117 117 HIS CB C 117 29.675 29.675 32.303 -2.628 25098 3685 1 9 . 1 1 117 117 HIS H H 117 8.670 8.670 7.912 0.758 25098 3686 1 9 . 1 1 118 118 GLY N N 118 109.716 109.716 106.545 3.171 25098 3687 1 9 . 1 1 118 118 GLY CA C 118 43.143 43.143 43.482 -0.339 25098 3688 1 9 . 1 1 118 118 GLY H H 118 8.350 8.350 8.365 -0.015 25098 3689 1 9 . 1 1 119 119 LYS N N 119 120.631 120.631 122.879 -2.248 25098 3690 1 9 . 1 1 119 119 LYS HA H 119 4.949 4.949 5.038 -0.089 25098 3691 1 9 . 1 1 119 119 LYS CA C 119 55.192 55.192 54.358 0.834 25098 3692 1 9 . 1 1 119 119 LYS CB C 119 36.931 36.931 36.890 0.041 25098 3693 1 9 . 1 1 119 119 LYS H H 119 8.561 8.561 8.946 -0.385 25098 3694 1 9 . 1 1 120 120 MET N N 120 123.525 123.525 123.699 -0.174 25098 3695 1 9 . 1 1 120 120 MET HA H 120 5.565 5.565 5.369 0.196 25098 3696 1 9 . 1 1 120 120 MET CA C 120 53.142 53.142 54.584 -1.442 25098 3697 1 9 . 1 1 120 120 MET CB C 120 37.448 37.448 37.507 -0.059 25098 3698 1 9 . 1 1 120 120 MET H H 120 9.329 9.329 9.245 0.084 25098 3699 1 9 . 1 1 121 121 ILE N N 121 127.707 127.707 126.640 1.067 25098 3700 1 9 . 1 1 121 121 ILE HA H 121 4.890 4.890 5.048 -0.158 25098 3701 1 9 . 1 1 121 121 ILE CA C 121 60.048 60.048 60.406 -0.358 25098 3702 1 9 . 1 1 121 121 ILE CB C 121 39.806 39.806 40.326 -0.520 25098 3703 1 9 . 1 1 121 121 ILE H H 121 9.471 9.471 9.323 0.148 25098 3704 1 9 . 1 1 122 122 VAL N N 122 127.738 127.738 128.116 -0.378 25098 3705 1 9 . 1 1 122 122 VAL HA H 122 4.994 4.994 4.920 0.074 25098 3706 1 9 . 1 1 122 122 VAL CA C 122 60.618 60.618 60.572 0.046 25098 3707 1 9 . 1 1 122 122 VAL CB C 122 33.297 33.297 31.689 1.608 25098 3708 1 9 . 1 1 122 122 VAL H H 122 9.350 9.350 9.045 0.305 25098 3709 1 10 . 1 1 28 28 MET N N 28 119.966 119.966 122.449 -2.483 25098 3710 1 10 . 1 1 28 28 MET H H 28 8.438 8.438 7.970 0.468 25098 3711 1 10 . 1 1 29 29 GLY N N 29 109.326 109.326 112.050 -2.724 25098 3712 1 10 . 1 1 29 29 GLY CA C 29 44.803 44.803 44.365 0.438 25098 3713 1 10 . 1 1 29 29 GLY H H 29 8.343 8.343 7.964 0.379 25098 3714 1 10 . 1 1 30 30 GLN N N 30 121.171 121.171 120.797 0.374 25098 3715 1 10 . 1 1 30 30 GLN HA H 30 4.548 4.548 4.616 -0.068 25098 3716 1 10 . 1 1 30 30 GLN CA C 30 54.981 54.981 54.128 0.853 25098 3717 1 10 . 1 1 30 30 GLN CB C 30 30.824 30.824 32.462 -1.638 25098 3718 1 10 . 1 1 30 30 GLN H H 30 8.174 8.174 8.683 -0.509 25098 3719 1 10 . 1 1 31 31 LYS N N 31 125.160 125.160 126.053 -0.893 25098 3720 1 10 . 1 1 31 31 LYS HA H 31 4.829 4.829 4.341 0.488 25098 3721 1 10 . 1 1 31 31 LYS CA C 31 55.952 55.952 55.901 0.051 25098 3722 1 10 . 1 1 31 31 LYS CB C 31 33.322 33.322 33.396 -0.074 25098 3723 1 10 . 1 1 31 31 LYS H H 31 8.713 8.713 8.790 -0.077 25098 3724 1 10 . 1 1 32 32 ALA N N 32 123.842 123.842 129.857 -6.015 25098 3725 1 10 . 1 1 32 32 ALA HA H 32 4.125 4.125 4.247 -0.122 25098 3726 1 10 . 1 1 32 32 ALA CA C 32 52.301 52.301 52.049 0.252 25098 3727 1 10 . 1 1 32 32 ALA CB C 32 18.956 18.956 20.000 -1.044 25098 3728 1 10 . 1 1 32 32 ALA H H 32 8.152 8.152 8.090 0.062 25098 3729 1 10 . 1 1 33 33 GLN N N 33 121.807 121.807 120.883 0.924 25098 3730 1 10 . 1 1 33 33 GLN HA H 33 4.380 4.380 4.322 0.058 25098 3731 1 10 . 1 1 33 33 GLN CA C 33 55.299 55.299 55.318 -0.019 25098 3732 1 10 . 1 1 33 33 GLN CB C 33 29.835 29.835 29.632 0.203 25098 3733 1 10 . 1 1 33 33 GLN H H 33 8.808 8.808 8.540 0.268 25098 3734 1 10 . 1 1 34 34 GLN N N 34 124.320 124.320 124.028 0.292 25098 3735 1 10 . 1 1 34 34 GLN HA H 34 4.212 4.212 4.361 -0.149 25098 3736 1 10 . 1 1 34 34 GLN CA C 34 55.368 55.368 55.709 -0.341 25098 3737 1 10 . 1 1 34 34 GLN CB C 34 27.615 27.615 29.211 -1.596 25098 3738 1 10 . 1 1 34 34 GLN H H 34 9.025 9.025 8.492 0.533 25098 3739 1 10 . 1 1 35 35 LYS N N 35 126.662 126.662 123.573 3.089 25098 3740 1 10 . 1 1 35 35 LYS HA H 35 4.441 4.441 4.229 0.212 25098 3741 1 10 . 1 1 35 35 LYS CA C 35 54.126 54.126 54.350 -0.224 25098 3742 1 10 . 1 1 35 35 LYS CB C 35 31.475 31.475 32.637 -1.162 25098 3743 1 10 . 1 1 35 35 LYS H H 35 8.479 8.479 8.554 -0.075 25098 3744 1 10 . 1 1 36 36 ASN N N 36 118.026 118.026 119.365 -1.339 25098 3745 1 10 . 1 1 36 36 ASN HA H 36 4.611 4.611 4.537 0.074 25098 3746 1 10 . 1 1 36 36 ASN CA C 36 53.478 53.478 53.252 0.226 25098 3747 1 10 . 1 1 36 36 ASN CB C 36 36.839 36.839 36.478 0.361 25098 3748 1 10 . 1 1 36 36 ASN H H 36 8.062 8.062 8.069 -0.007 25098 3749 1 10 . 1 1 37 37 GLY N N 37 111.719 111.719 108.586 3.133 25098 3750 1 10 . 1 1 37 37 GLY CA C 37 45.230 45.230 45.639 -0.409 25098 3751 1 10 . 1 1 37 37 GLY H H 37 8.285 8.285 8.064 0.221 25098 3752 1 10 . 1 1 38 38 TYR N N 38 114.733 114.733 114.114 0.619 25098 3753 1 10 . 1 1 38 38 TYR HA H 38 5.107 5.107 5.261 -0.154 25098 3754 1 10 . 1 1 38 38 TYR CA C 38 55.398 55.398 55.205 0.193 25098 3755 1 10 . 1 1 38 38 TYR CB C 38 39.246 39.246 40.192 -0.946 25098 3756 1 10 . 1 1 38 38 TYR H H 38 7.158 7.158 7.123 0.035 25098 3757 1 10 . 1 1 39 39 GLN N N 39 117.964 117.964 117.649 0.315 25098 3758 1 10 . 1 1 39 39 GLN HA H 39 5.472 5.472 5.100 0.372 25098 3759 1 10 . 1 1 39 39 GLN CA C 39 52.396 52.396 53.899 -1.503 25098 3760 1 10 . 1 1 39 39 GLN CB C 39 30.812 30.812 32.416 -1.604 25098 3761 1 10 . 1 1 39 39 GLN H H 39 9.401 9.401 9.036 0.365 25098 3762 1 10 . 1 1 40 40 GLU N N 40 123.527 123.527 121.131 2.396 25098 3763 1 10 . 1 1 40 40 GLU HA H 40 5.809 5.809 5.542 0.267 25098 3764 1 10 . 1 1 40 40 GLU CA C 40 54.574 54.574 54.937 -0.363 25098 3765 1 10 . 1 1 40 40 GLU CB C 40 35.999 35.999 34.418 1.581 25098 3766 1 10 . 1 1 40 40 GLU H H 40 9.027 9.027 8.966 0.061 25098 3767 1 10 . 1 1 41 41 ILE N N 41 124.884 124.884 122.634 2.250 25098 3768 1 10 . 1 1 41 41 ILE HA H 41 4.686 4.686 4.464 0.222 25098 3769 1 10 . 1 1 41 41 ILE CA C 41 59.126 59.126 60.379 -1.253 25098 3770 1 10 . 1 1 41 41 ILE CB C 41 42.658 42.658 41.890 0.768 25098 3771 1 10 . 1 1 41 41 ILE H H 41 8.503 8.503 8.356 0.147 25098 3772 1 10 . 1 1 42 42 ARG N N 42 127.316 127.316 129.340 -2.024 25098 3773 1 10 . 1 1 42 42 ARG HA H 42 5.136 5.136 4.587 0.549 25098 3774 1 10 . 1 1 42 42 ARG CA C 42 54.461 54.461 55.872 -1.411 25098 3775 1 10 . 1 1 42 42 ARG CB C 42 32.141 32.141 30.373 1.768 25098 3776 1 10 . 1 1 42 42 ARG H H 42 7.942 7.942 8.638 -0.696 25098 3777 1 10 . 1 1 43 43 VAL N N 43 126.060 126.060 128.668 -2.608 25098 3778 1 10 . 1 1 43 43 VAL HA H 43 4.357 4.357 4.154 0.203 25098 3779 1 10 . 1 1 43 43 VAL CA C 43 61.020 61.020 61.697 -0.677 25098 3780 1 10 . 1 1 43 43 VAL CB C 43 34.375 34.375 32.246 2.129 25098 3781 1 10 . 1 1 43 43 VAL H H 43 9.158 9.158 8.940 0.218 25098 3782 1 10 . 1 1 44 44 GLU N N 44 127.592 127.592 129.256 -1.664 25098 3783 1 10 . 1 1 44 44 GLU HA H 44 4.782 4.782 4.317 0.465 25098 3784 1 10 . 1 1 44 44 GLU CA C 44 55.944 55.944 56.587 -0.643 25098 3785 1 10 . 1 1 44 44 GLU CB C 44 31.779 31.779 30.014 1.765 25098 3786 1 10 . 1 1 44 44 GLU H H 44 9.086 9.086 8.906 0.180 25098 3787 1 10 . 1 1 45 45 VAL N N 45 126.323 126.323 128.745 -2.422 25098 3788 1 10 . 1 1 45 45 VAL HA H 45 4.910 4.910 4.664 0.246 25098 3789 1 10 . 1 1 45 45 VAL CA C 45 61.122 61.122 62.099 -0.977 25098 3790 1 10 . 1 1 45 45 VAL CB C 45 31.501 31.501 31.610 -0.109 25098 3791 1 10 . 1 1 45 45 VAL H H 45 8.617 8.617 9.027 -0.410 25098 3792 1 10 . 1 1 46 46 MET N N 46 127.658 127.658 124.684 2.974 25098 3793 1 10 . 1 1 46 46 MET HA H 46 4.755 4.755 4.741 0.014 25098 3794 1 10 . 1 1 46 46 MET CA C 46 55.999 55.999 54.367 1.631 25098 3795 1 10 . 1 1 46 46 MET CB C 46 32.530 32.530 33.096 -0.566 25098 3796 1 10 . 1 1 46 46 MET H H 46 8.319 8.319 7.828 0.491 25098 3797 1 10 . 1 1 47 47 GLY N N 47 119.231 119.231 107.472 11.759 25098 3798 1 10 . 1 1 47 47 GLY CA C 47 46.863 46.863 44.870 1.992 25098 3799 1 10 . 1 1 47 47 GLY H H 47 10.065 10.065 8.604 1.461 25098 3800 1 10 . 1 1 48 48 GLY N N 48 102.924 102.924 105.756 -2.832 25098 3801 1 10 . 1 1 48 48 GLY CA C 48 43.176 43.176 44.964 -1.788 25098 3802 1 10 . 1 1 48 48 GLY H H 48 6.639 6.639 7.740 -1.101 25098 3803 1 10 . 1 1 49 49 TYR N N 49 120.115 120.115 119.537 0.578 25098 3804 1 10 . 1 1 49 49 TYR HA H 49 5.267 5.267 5.106 0.161 25098 3805 1 10 . 1 1 49 49 TYR CA C 49 56.991 56.991 57.201 -0.210 25098 3806 1 10 . 1 1 49 49 TYR CB C 49 40.490 40.490 39.746 0.744 25098 3807 1 10 . 1 1 49 49 TYR H H 49 8.364 8.364 8.217 0.147 25098 3808 1 10 . 1 1 50 50 THR N N 50 117.545 117.545 118.868 -1.323 25098 3809 1 10 . 1 1 50 50 THR HA H 50 4.742 4.742 4.387 0.355 25098 3810 1 10 . 1 1 50 50 THR CA C 50 59.224 59.224 65.068 -5.844 25098 3811 1 10 . 1 1 50 50 THR CB C 50 71.576 71.576 68.030 3.546 25098 3812 1 10 . 1 1 50 50 THR H H 50 8.574 8.574 8.353 0.221 25098 3813 1 10 . 1 1 51 51 PRO HA H 51 4.928 4.928 4.510 0.418 25098 3814 1 10 . 1 1 51 51 PRO CA C 51 63.206 63.206 63.056 0.150 25098 3815 1 10 . 1 1 51 51 PRO CB C 51 34.946 34.946 31.074 3.872 25098 3816 1 10 . 1 1 52 52 GLU N N 52 114.661 114.661 122.092 -7.431 25098 3817 1 10 . 1 1 52 52 GLU HA H 52 4.468 4.468 3.950 0.518 25098 3818 1 10 . 1 1 52 52 GLU CA C 52 55.828 55.828 58.971 -3.143 25098 3819 1 10 . 1 1 52 52 GLU CB C 52 30.239 30.239 29.765 0.474 25098 3820 1 10 . 1 1 52 52 GLU H H 52 8.351 8.351 8.480 -0.129 25098 3821 1 10 . 1 1 53 53 LEU N N 53 123.273 123.273 116.606 6.667 25098 3822 1 10 . 1 1 53 53 LEU HA H 53 5.504 5.504 5.546 -0.042 25098 3823 1 10 . 1 1 53 53 LEU CA C 53 54.005 54.005 52.218 1.788 25098 3824 1 10 . 1 1 53 53 LEU CB C 53 44.276 44.276 44.154 0.122 25098 3825 1 10 . 1 1 53 53 LEU H H 53 7.476 7.476 7.322 0.154 25098 3826 1 10 . 1 1 54 54 ILE N N 54 121.159 121.159 119.911 1.248 25098 3827 1 10 . 1 1 54 54 ILE HA H 54 5.238 5.238 5.224 0.014 25098 3828 1 10 . 1 1 54 54 ILE CA C 54 59.006 59.006 59.336 -0.330 25098 3829 1 10 . 1 1 54 54 ILE CB C 54 41.979 41.979 39.098 2.881 25098 3830 1 10 . 1 1 54 54 ILE H H 54 8.732 8.732 9.347 -0.615 25098 3831 1 10 . 1 1 55 55 VAL N N 55 123.295 123.295 126.475 -3.180 25098 3832 1 10 . 1 1 55 55 VAL HA H 55 5.138 5.138 4.867 0.271 25098 3833 1 10 . 1 1 55 55 VAL CA C 55 61.216 61.216 62.166 -0.951 25098 3834 1 10 . 1 1 55 55 VAL CB C 55 33.376 33.376 32.227 1.149 25098 3835 1 10 . 1 1 55 55 VAL H H 55 8.456 8.456 8.926 -0.470 25098 3836 1 10 . 1 1 56 56 LEU N N 56 129.681 129.681 128.098 1.583 25098 3837 1 10 . 1 1 56 56 LEU HA H 56 4.637 4.637 4.766 -0.129 25098 3838 1 10 . 1 1 56 56 LEU CA C 56 53.044 53.044 53.447 -0.403 25098 3839 1 10 . 1 1 56 56 LEU CB C 56 45.712 45.712 46.005 -0.293 25098 3840 1 10 . 1 1 56 56 LEU H H 56 9.646 9.646 9.249 0.397 25098 3841 1 10 . 1 1 57 57 LYS N N 57 121.874 121.874 118.858 3.016 25098 3842 1 10 . 1 1 57 57 LYS HA H 57 4.815 4.815 4.588 0.227 25098 3843 1 10 . 1 1 57 57 LYS CA C 57 55.095 55.095 55.664 -0.569 25098 3844 1 10 . 1 1 57 57 LYS CB C 57 33.701 33.701 34.071 -0.370 25098 3845 1 10 . 1 1 57 57 LYS H H 57 9.619 9.619 8.397 1.222 25098 3846 1 10 . 1 1 58 58 LYS N N 58 124.865 124.865 121.776 3.089 25098 3847 1 10 . 1 1 58 58 LYS HA H 58 3.714 3.714 4.549 -0.835 25098 3848 1 10 . 1 1 58 58 LYS CA C 58 57.532 57.532 55.654 1.877 25098 3849 1 10 . 1 1 58 58 LYS CB C 58 33.246 33.246 33.715 -0.469 25098 3850 1 10 . 1 1 58 58 LYS H H 58 8.793 8.793 7.919 0.874 25098 3851 1 10 . 1 1 59 59 SER N N 59 113.482 113.482 117.930 -4.448 25098 3852 1 10 . 1 1 59 59 SER HA H 59 4.084 4.084 4.085 -0.001 25098 3853 1 10 . 1 1 59 59 SER CA C 59 61.005 61.005 59.858 1.147 25098 3854 1 10 . 1 1 59 59 SER CB C 59 60.917 60.917 62.709 -1.792 25098 3855 1 10 . 1 1 59 59 SER H H 59 8.946 8.946 9.134 -0.188 25098 3856 1 10 . 1 1 60 60 VAL N N 60 123.081 123.081 121.779 1.302 25098 3857 1 10 . 1 1 60 60 VAL HA H 60 4.448 4.448 4.608 -0.160 25098 3858 1 10 . 1 1 60 60 VAL CA C 60 59.101 59.101 58.566 0.535 25098 3859 1 10 . 1 1 60 60 VAL CB C 60 33.818 33.818 35.149 -1.331 25098 3860 1 10 . 1 1 60 60 VAL H H 60 6.974 6.974 7.604 -0.630 25098 3861 1 10 . 1 1 61 61 PRO HA H 61 4.405 4.405 4.605 -0.200 25098 3862 1 10 . 1 1 61 61 PRO CA C 61 64.752 64.752 62.997 1.755 25098 3863 1 10 . 1 1 61 61 PRO CB C 61 32.273 32.273 31.214 1.059 25098 3864 1 10 . 1 1 62 62 ALA N N 62 124.881 124.881 126.576 -1.695 25098 3865 1 10 . 1 1 62 62 ALA HA H 62 5.452 5.452 5.318 0.134 25098 3866 1 10 . 1 1 62 62 ALA CA C 62 49.746 49.746 50.279 -0.533 25098 3867 1 10 . 1 1 62 62 ALA CB C 62 22.483 22.483 22.749 -0.266 25098 3868 1 10 . 1 1 62 62 ALA H H 62 9.244 9.244 9.181 0.063 25098 3869 1 10 . 1 1 63 63 ARG N N 63 122.869 122.869 122.539 0.330 25098 3870 1 10 . 1 1 63 63 ARG HA H 63 4.498 4.498 5.388 -0.890 25098 3871 1 10 . 1 1 63 63 ARG CA C 63 55.022 55.022 53.528 1.494 25098 3872 1 10 . 1 1 63 63 ARG CB C 63 31.637 31.637 32.568 -0.931 25098 3873 1 10 . 1 1 63 63 ARG H H 63 8.858 8.858 9.039 -0.181 25098 3874 1 10 . 1 1 64 64 ILE N N 64 125.797 125.797 125.100 0.697 25098 3875 1 10 . 1 1 64 64 ILE HA H 64 4.367 4.367 4.314 0.053 25098 3876 1 10 . 1 1 64 64 ILE CA C 64 60.028 60.028 58.507 1.521 25098 3877 1 10 . 1 1 64 64 ILE CB C 64 37.499 37.499 37.050 0.449 25098 3878 1 10 . 1 1 64 64 ILE H H 64 9.033 9.033 8.850 0.183 25098 3879 1 10 . 1 1 65 65 VAL N N 65 127.998 127.998 128.733 -0.735 25098 3880 1 10 . 1 1 65 65 VAL HA H 65 4.122 4.122 4.119 0.003 25098 3881 1 10 . 1 1 65 65 VAL CA C 65 61.697 61.697 62.351 -0.654 25098 3882 1 10 . 1 1 65 65 VAL CB C 65 32.480 32.480 31.370 1.110 25098 3883 1 10 . 1 1 65 65 VAL H H 65 8.800 8.800 8.868 -0.068 25098 3884 1 10 . 1 1 66 66 PHE N N 66 126.431 126.431 128.919 -2.488 25098 3885 1 10 . 1 1 66 66 PHE HA H 66 5.190 5.190 5.175 0.015 25098 3886 1 10 . 1 1 66 66 PHE CA C 66 58.012 58.012 56.686 1.326 25098 3887 1 10 . 1 1 66 66 PHE CB C 66 41.731 41.731 39.548 2.183 25098 3888 1 10 . 1 1 66 66 PHE H H 66 9.536 9.536 9.384 0.152 25098 3889 1 10 . 1 1 67 67 ASP N N 67 123.469 123.469 125.505 -2.036 25098 3890 1 10 . 1 1 67 67 ASP HA H 67 4.986 4.986 4.995 -0.009 25098 3891 1 10 . 1 1 67 67 ASP CA C 67 52.158 52.158 53.943 -1.785 25098 3892 1 10 . 1 1 67 67 ASP CB C 67 42.083 42.083 42.211 -0.128 25098 3893 1 10 . 1 1 67 67 ASP H H 67 8.806 8.806 8.794 0.012 25098 3894 1 10 . 1 1 68 68 ARG N N 68 124.864 124.864 128.205 -3.341 25098 3895 1 10 . 1 1 68 68 ARG HA H 68 4.760 4.760 4.497 0.263 25098 3896 1 10 . 1 1 68 68 ARG CA C 68 58.018 58.018 56.661 1.357 25098 3897 1 10 . 1 1 68 68 ARG CB C 68 30.605 30.605 29.886 0.719 25098 3898 1 10 . 1 1 68 68 ARG H H 68 8.598 8.598 8.499 0.099 25098 3899 1 10 . 1 1 69 69 LYS N N 69 126.910 126.910 126.043 0.867 25098 3900 1 10 . 1 1 69 69 LYS HA H 69 4.662 4.662 4.384 0.278 25098 3901 1 10 . 1 1 69 69 LYS CA C 69 55.222 55.222 56.508 -1.286 25098 3902 1 10 . 1 1 69 69 LYS CB C 69 34.788 34.788 33.436 1.352 25098 3903 1 10 . 1 1 69 69 LYS H H 69 8.348 8.348 8.783 -0.435 25098 3904 1 10 . 1 1 70 70 ASP N N 70 119.420 119.420 119.563 -0.143 25098 3905 1 10 . 1 1 70 70 ASP HA H 70 5.085 5.085 4.937 0.148 25098 3906 1 10 . 1 1 70 70 ASP CA C 70 49.872 49.872 51.025 -1.153 25098 3907 1 10 . 1 1 70 70 ASP CB C 70 45.194 45.194 42.477 2.717 25098 3908 1 10 . 1 1 70 70 ASP H H 70 6.675 6.675 7.877 -1.202 25098 3909 1 10 . 1 1 71 71 PRO HA H 71 4.589 4.589 4.536 0.053 25098 3910 1 10 . 1 1 71 71 PRO CA C 71 63.781 63.781 62.596 1.185 25098 3911 1 10 . 1 1 72 72 SER N N 72 121.578 121.578 118.887 2.691 25098 3912 1 10 . 1 1 72 72 SER HA H 72 4.462 4.462 4.491 -0.029 25098 3913 1 10 . 1 1 72 72 SER CA C 72 57.029 57.029 56.617 0.412 25098 3914 1 10 . 1 1 72 72 SER CB C 72 63.781 63.781 63.376 0.405 25098 3915 1 10 . 1 1 72 72 SER H H 72 8.624 8.624 7.658 0.966 25098 3916 1 10 . 1 1 73 73 PRO HA H 73 4.348 4.348 4.303 0.045 25098 3917 1 10 . 1 1 73 73 PRO CA C 73 64.297 64.297 64.949 -0.652 25098 3918 1 10 . 1 1 74 74 CYS N N 74 114.456 114.456 113.642 0.814 25098 3919 1 10 . 1 1 74 74 CYS HA H 74 4.320 4.320 4.383 -0.063 25098 3920 1 10 . 1 1 74 74 CYS CA C 74 60.192 60.192 59.517 0.675 25098 3921 1 10 . 1 1 74 74 CYS CB C 74 27.035 27.035 26.434 0.601 25098 3922 1 10 . 1 1 74 74 CYS H H 74 8.010 8.010 8.148 -0.138 25098 3923 1 10 . 1 1 75 75 LEU N N 75 120.476 120.476 118.861 1.615 25098 3924 1 10 . 1 1 75 75 LEU HA H 75 4.546 4.546 4.439 0.107 25098 3925 1 10 . 1 1 75 75 LEU CA C 75 53.987 53.987 54.128 -0.141 25098 3926 1 10 . 1 1 75 75 LEU CB C 75 41.083 41.083 42.066 -0.983 25098 3927 1 10 . 1 1 75 75 LEU H H 75 7.629 7.629 7.440 0.189 25098 3928 1 10 . 1 1 76 76 ASP N N 76 117.861 117.861 118.769 -0.908 25098 3929 1 10 . 1 1 76 76 ASP HA H 76 4.466 4.466 4.384 0.082 25098 3930 1 10 . 1 1 76 76 ASP CB C 76 41.608 41.608 42.013 -0.405 25098 3931 1 10 . 1 1 76 76 ASP H H 76 7.465 7.465 7.459 0.006 25098 3932 1 10 . 1 1 77 77 GLN HA H 77 5.368 5.368 4.571 0.797 25098 3933 1 10 . 1 1 77 77 GLN CA C 77 53.830 53.830 54.679 -0.849 25098 3934 1 10 . 1 1 77 77 GLN CB C 77 33.290 33.290 33.702 -0.412 25098 3935 1 10 . 1 1 78 78 ILE N N 78 123.134 123.134 119.867 3.267 25098 3936 1 10 . 1 1 78 78 ILE HA H 78 4.893 4.893 4.466 0.427 25098 3937 1 10 . 1 1 78 78 ILE CA C 78 56.862 56.862 60.083 -3.220 25098 3938 1 10 . 1 1 78 78 ILE CB C 78 42.611 42.611 41.947 0.664 25098 3939 1 10 . 1 1 78 78 ILE H H 78 9.043 9.043 8.951 0.092 25098 3940 1 10 . 1 1 79 79 VAL N N 79 125.068 125.068 127.921 -2.853 25098 3941 1 10 . 1 1 79 79 VAL HA H 79 4.911 4.911 5.479 -0.568 25098 3942 1 10 . 1 1 79 79 VAL CB C 79 35.336 35.336 35.183 0.153 25098 3943 1 10 . 1 1 79 79 VAL H H 79 8.911 8.911 8.236 0.675 25098 3944 1 10 . 1 1 80 80 PHE N N 80 123.479 123.479 127.929 -4.450 25098 3945 1 10 . 1 1 80 80 PHE HA H 80 5.574 5.574 5.314 0.260 25098 3946 1 10 . 1 1 80 80 PHE CA C 80 53.684 53.684 55.822 -2.138 25098 3947 1 10 . 1 1 80 80 PHE CB C 80 39.905 39.905 39.416 0.489 25098 3948 1 10 . 1 1 80 80 PHE H H 80 8.628 8.628 9.629 -1.001 25098 3949 1 10 . 1 1 81 81 PRO HA H 81 4.427 4.427 4.399 0.028 25098 3950 1 10 . 1 1 81 81 PRO CA C 81 65.254 65.254 65.156 0.098 25098 3951 1 10 . 1 1 81 81 PRO CB C 81 32.319 32.319 31.551 0.768 25098 3952 1 10 . 1 1 82 82 ASP N N 82 114.119 114.119 116.768 -2.649 25098 3953 1 10 . 1 1 82 82 ASP HA H 82 4.484 4.484 4.771 -0.287 25098 3954 1 10 . 1 1 82 82 ASP CA C 82 55.569 55.569 55.477 0.092 25098 3955 1 10 . 1 1 82 82 ASP CB C 82 41.625 41.625 41.807 -0.182 25098 3956 1 10 . 1 1 82 82 ASP H H 82 8.692 8.692 8.583 0.109 25098 3957 1 10 . 1 1 83 83 PHE N N 83 113.198 113.198 118.700 -5.502 25098 3958 1 10 . 1 1 83 83 PHE HA H 83 4.618 4.618 4.763 -0.145 25098 3959 1 10 . 1 1 83 83 PHE CA C 83 57.454 57.454 58.722 -1.268 25098 3960 1 10 . 1 1 83 83 PHE CB C 83 41.445 41.445 40.909 0.536 25098 3961 1 10 . 1 1 83 83 PHE H H 83 7.434 7.434 7.867 -0.433 25098 3962 1 10 . 1 1 84 84 GLY N N 84 108.212 108.212 109.454 -1.242 25098 3963 1 10 . 1 1 84 84 GLY CA C 84 46.552 46.552 45.618 0.934 25098 3964 1 10 . 1 1 84 84 GLY H H 84 7.677 7.677 8.687 -1.010 25098 3965 1 10 . 1 1 85 85 VAL N N 85 117.875 117.875 121.873 -3.998 25098 3966 1 10 . 1 1 85 85 VAL HA H 85 4.270 4.270 4.397 -0.127 25098 3967 1 10 . 1 1 85 85 VAL CA C 85 61.664 61.664 62.025 -0.360 25098 3968 1 10 . 1 1 85 85 VAL CB C 85 34.286 34.286 33.125 1.161 25098 3969 1 10 . 1 1 85 85 VAL H H 85 7.075 7.075 7.644 -0.569 25098 3970 1 10 . 1 1 86 86 HIS N N 86 129.355 129.355 128.770 0.585 25098 3971 1 10 . 1 1 86 86 HIS HA H 86 5.204 5.204 5.634 -0.430 25098 3972 1 10 . 1 1 86 86 HIS CA C 86 55.513 55.513 54.611 0.902 25098 3973 1 10 . 1 1 86 86 HIS CB C 86 31.131 31.131 32.095 -0.964 25098 3974 1 10 . 1 1 86 86 HIS H H 86 8.921 8.921 8.869 0.052 25098 3975 1 10 . 1 1 87 87 ALA N N 87 126.717 126.717 129.978 -3.261 25098 3976 1 10 . 1 1 87 87 ALA HA H 87 4.749 4.749 4.490 0.259 25098 3977 1 10 . 1 1 87 87 ALA CA C 87 50.886 50.886 50.188 0.698 25098 3978 1 10 . 1 1 87 87 ALA CB C 87 22.088 22.088 22.863 -0.775 25098 3979 1 10 . 1 1 87 87 ALA H H 87 8.799 8.799 9.120 -0.321 25098 3980 1 10 . 1 1 88 88 ASN N N 88 119.348 119.348 117.650 1.698 25098 3981 1 10 . 1 1 88 88 ASN HA H 88 5.125 5.125 4.677 0.448 25098 3982 1 10 . 1 1 88 88 ASN CA C 88 51.796 51.796 52.291 -0.495 25098 3983 1 10 . 1 1 88 88 ASN CB C 88 39.015 39.015 40.166 -1.151 25098 3984 1 10 . 1 1 88 88 ASN H H 88 8.230 8.230 8.116 0.114 25098 3985 1 10 . 1 1 89 89 LEU N N 89 122.766 122.766 122.510 0.256 25098 3986 1 10 . 1 1 89 89 LEU HA H 89 4.440 4.440 4.772 -0.332 25098 3987 1 10 . 1 1 89 89 LEU CA C 89 50.791 50.791 51.738 -0.947 25098 3988 1 10 . 1 1 89 89 LEU CB C 89 42.662 42.662 42.672 -0.010 25098 3989 1 10 . 1 1 89 89 LEU H H 89 8.356 8.356 8.610 -0.254 25098 3990 1 10 . 1 1 90 90 PRO HA H 90 4.434 4.434 4.551 -0.117 25098 3991 1 10 . 1 1 90 90 PRO CA C 90 61.669 61.669 62.118 -0.449 25098 3992 1 10 . 1 1 91 91 MET N N 91 121.751 121.751 125.746 -3.995 25098 3993 1 10 . 1 1 91 91 MET HA H 91 4.144 4.144 4.107 0.037 25098 3994 1 10 . 1 1 91 91 MET CA C 91 55.460 55.460 55.413 0.047 25098 3995 1 10 . 1 1 91 91 MET CB C 91 30.951 30.951 32.190 -1.239 25098 3996 1 10 . 1 1 91 91 MET H H 91 8.709 8.709 8.601 0.108 25098 3997 1 10 . 1 1 92 92 GLY N N 92 112.856 112.856 113.944 -1.088 25098 3998 1 10 . 1 1 92 92 GLY CA C 92 46.265 46.265 44.965 1.300 25098 3999 1 10 . 1 1 92 92 GLY H H 92 8.325 8.325 8.699 -0.374 25098 4000 1 10 . 1 1 93 93 GLU N N 93 116.930 116.930 118.650 -1.720 25098 4001 1 10 . 1 1 93 93 GLU HA H 93 4.747 4.747 4.709 0.038 25098 4002 1 10 . 1 1 93 93 GLU CA C 93 54.151 54.151 54.489 -0.338 25098 4003 1 10 . 1 1 93 93 GLU CB C 93 33.784 33.784 33.098 0.686 25098 4004 1 10 . 1 1 93 93 GLU H H 93 7.331 7.331 7.872 -0.541 25098 4005 1 10 . 1 1 94 94 GLU N N 94 119.837 119.837 118.993 0.844 25098 4006 1 10 . 1 1 94 94 GLU HA H 94 5.103 5.103 5.234 -0.131 25098 4007 1 10 . 1 1 94 94 GLU CA C 94 55.340 55.340 54.956 0.384 25098 4008 1 10 . 1 1 94 94 GLU CB C 94 31.196 31.196 31.682 -0.486 25098 4009 1 10 . 1 1 94 94 GLU H H 94 8.418 8.418 8.613 -0.195 25098 4010 1 10 . 1 1 95 95 TYR N N 95 124.949 124.949 125.390 -0.441 25098 4011 1 10 . 1 1 95 95 TYR HA H 95 4.637 4.637 4.695 -0.058 25098 4012 1 10 . 1 1 95 95 TYR CA C 95 58.125 58.125 57.496 0.629 25098 4013 1 10 . 1 1 95 95 TYR CB C 95 43.144 43.144 40.681 2.463 25098 4014 1 10 . 1 1 95 95 TYR H H 95 9.059 9.059 9.118 -0.059 25098 4015 1 10 . 1 1 96 96 VAL N N 96 128.075 128.075 126.753 1.322 25098 4016 1 10 . 1 1 96 96 VAL HA H 96 4.440 4.440 4.870 -0.430 25098 4017 1 10 . 1 1 96 96 VAL CA C 96 61.772 61.772 59.793 1.979 25098 4018 1 10 . 1 1 96 96 VAL CB C 96 32.805 32.805 33.818 -1.013 25098 4019 1 10 . 1 1 96 96 VAL H H 96 7.795 7.795 8.234 -0.439 25098 4020 1 10 . 1 1 97 97 VAL N N 97 129.541 129.541 129.656 -0.115 25098 4021 1 10 . 1 1 97 97 VAL HA H 97 3.917 3.917 4.262 -0.345 25098 4022 1 10 . 1 1 97 97 VAL CA C 97 61.821 61.821 60.738 1.083 25098 4023 1 10 . 1 1 97 97 VAL CB C 97 33.313 33.313 32.934 0.378 25098 4024 1 10 . 1 1 97 97 VAL H H 97 9.110 9.110 8.920 0.190 25098 4025 1 10 . 1 1 98 98 GLU N N 98 127.575 127.575 129.013 -1.438 25098 4026 1 10 . 1 1 98 98 GLU HA H 98 5.237 5.237 4.731 0.506 25098 4027 1 10 . 1 1 98 98 GLU CA C 98 54.576 54.576 56.274 -1.698 25098 4028 1 10 . 1 1 98 98 GLU CB C 98 30.995 30.995 30.261 0.734 25098 4029 1 10 . 1 1 98 98 GLU H H 98 8.166 8.166 8.711 -0.545 25098 4030 1 10 . 1 1 99 99 ILE N N 99 118.374 118.374 122.016 -3.642 25098 4031 1 10 . 1 1 99 99 ILE HA H 99 4.386 4.386 4.563 -0.177 25098 4032 1 10 . 1 1 99 99 ILE CA C 99 59.143 59.143 58.834 0.309 25098 4033 1 10 . 1 1 99 99 ILE CB C 99 43.580 43.580 41.784 1.796 25098 4034 1 10 . 1 1 99 99 ILE H H 99 7.881 7.881 8.843 -0.962 25098 4035 1 10 . 1 1 100 100 THR N N 100 119.619 119.619 117.557 2.062 25098 4036 1 10 . 1 1 100 100 THR HA H 100 4.717 4.717 4.848 -0.131 25098 4037 1 10 . 1 1 100 100 THR CA C 100 58.983 58.983 59.178 -0.195 25098 4038 1 10 . 1 1 100 100 THR CB C 100 69.121 69.121 69.135 -0.014 25098 4039 1 10 . 1 1 100 100 THR H H 100 8.885 8.885 8.380 0.505 25098 4040 1 10 . 1 1 101 101 PRO HA H 101 4.620 4.620 4.646 -0.026 25098 4041 1 10 . 1 1 101 101 PRO CA C 101 62.096 62.096 62.866 -0.770 25098 4042 1 10 . 1 1 101 101 PRO CB C 101 32.296 32.296 31.912 0.384 25098 4043 1 10 . 1 1 102 102 GLU N N 102 124.589 124.589 124.184 0.405 25098 4044 1 10 . 1 1 102 102 GLU HA H 102 4.379 4.379 4.364 0.015 25098 4045 1 10 . 1 1 102 102 GLU CA C 102 56.649 56.649 57.337 -0.688 25098 4046 1 10 . 1 1 102 102 GLU CB C 102 30.740 30.740 30.474 0.266 25098 4047 1 10 . 1 1 102 102 GLU H H 102 8.574 8.574 8.381 0.193 25098 4048 1 10 . 1 1 103 103 GLN N N 103 118.304 118.304 117.413 0.891 25098 4049 1 10 . 1 1 103 103 GLN HA H 103 4.662 4.662 4.614 0.048 25098 4050 1 10 . 1 1 103 103 GLN CA C 103 53.956 53.956 54.519 -0.563 25098 4051 1 10 . 1 1 103 103 GLN CB C 103 31.762 31.762 32.206 -0.444 25098 4052 1 10 . 1 1 103 103 GLN H H 103 8.518 8.518 7.713 0.805 25098 4053 1 10 . 1 1 104 104 ALA N N 104 124.603 124.603 126.179 -1.576 25098 4054 1 10 . 1 1 104 104 ALA HA H 104 4.195 4.195 4.594 -0.399 25098 4055 1 10 . 1 1 104 104 ALA CA C 104 51.886 51.886 52.062 -0.176 25098 4056 1 10 . 1 1 104 104 ALA CB C 104 19.377 19.377 19.333 0.044 25098 4057 1 10 . 1 1 104 104 ALA H H 104 8.575 8.575 8.508 0.067 25098 4058 1 10 . 1 1 105 105 GLY N N 105 108.486 108.486 111.866 -3.380 25098 4059 1 10 . 1 1 105 105 GLY CA C 105 44.726 44.726 45.354 -0.628 25098 4060 1 10 . 1 1 105 105 GLY H H 105 8.710 8.710 8.122 0.588 25098 4061 1 10 . 1 1 106 106 GLU N N 106 118.462 118.462 120.731 -2.269 25098 4062 1 10 . 1 1 106 106 GLU HA H 106 5.098 5.098 5.241 -0.143 25098 4063 1 10 . 1 1 106 106 GLU CA C 106 54.382 54.382 55.835 -1.453 25098 4064 1 10 . 1 1 106 106 GLU CB C 106 31.878 31.878 31.354 0.524 25098 4065 1 10 . 1 1 106 106 GLU H H 106 7.620 7.620 8.326 -0.706 25098 4066 1 10 . 1 1 107 107 PHE N N 107 123.388 123.388 124.630 -1.242 25098 4067 1 10 . 1 1 107 107 PHE HA H 107 4.999 4.999 5.126 -0.127 25098 4068 1 10 . 1 1 107 107 PHE CA C 107 56.623 56.623 56.910 -0.287 25098 4069 1 10 . 1 1 107 107 PHE CB C 107 43.035 43.035 43.130 -0.095 25098 4070 1 10 . 1 1 107 107 PHE H H 107 9.381 9.381 9.531 -0.150 25098 4071 1 10 . 1 1 108 108 SER N N 108 117.621 117.621 114.782 2.839 25098 4072 1 10 . 1 1 108 108 SER HA H 108 5.137 5.137 5.278 -0.141 25098 4073 1 10 . 1 1 108 108 SER CA C 108 58.465 58.465 57.561 0.904 25098 4074 1 10 . 1 1 108 108 SER CB C 108 65.864 65.864 66.388 -0.524 25098 4075 1 10 . 1 1 108 108 SER H H 108 8.846 8.846 9.196 -0.350 25098 4076 1 10 . 1 1 109 109 PHE N N 109 116.119 116.119 114.995 1.124 25098 4077 1 10 . 1 1 109 109 PHE HA H 109 5.154 5.154 4.847 0.307 25098 4078 1 10 . 1 1 109 109 PHE CA C 109 55.800 55.800 56.321 -0.521 25098 4079 1 10 . 1 1 109 109 PHE CB C 109 39.858 39.858 41.017 -1.159 25098 4080 1 10 . 1 1 109 109 PHE H H 109 7.646 7.646 8.438 -0.792 25098 4081 1 10 . 1 1 110 110 ALA N N 110 121.615 121.615 123.710 -2.095 25098 4082 1 10 . 1 1 110 110 ALA HA H 110 5.258 5.258 4.964 0.294 25098 4083 1 10 . 1 1 110 110 ALA CA C 110 50.940 50.940 52.017 -1.077 25098 4084 1 10 . 1 1 110 110 ALA CB C 110 24.724 24.724 22.641 2.083 25098 4085 1 10 . 1 1 110 110 ALA H H 110 8.826 8.826 8.037 0.789 25098 4086 1 10 . 1 1 111 111 CYS N N 111 114.162 114.162 117.791 -3.629 25098 4087 1 10 . 1 1 111 111 CYS HA H 111 5.372 5.372 4.675 0.697 25098 4088 1 10 . 1 1 111 111 CYS CA C 111 55.651 55.651 58.777 -3.126 25098 4089 1 10 . 1 1 111 111 CYS CB C 111 33.551 33.551 30.936 2.615 25098 4090 1 10 . 1 1 111 111 CYS H H 111 7.820 7.820 8.924 -1.104 25098 4091 1 10 . 1 1 112 112 GLY N N 112 108.348 108.348 114.599 -6.251 25098 4092 1 10 . 1 1 112 112 GLY H H 112 8.277 8.277 8.567 -0.290 25098 4093 1 10 . 1 1 117 117 HIS N N 117 117.324 117.324 118.539 -1.215 25098 4094 1 10 . 1 1 117 117 HIS HA H 117 4.540 4.540 5.108 -0.568 25098 4095 1 10 . 1 1 117 117 HIS CA C 117 56.897 56.897 54.556 2.341 25098 4096 1 10 . 1 1 117 117 HIS CB C 117 29.675 29.675 32.429 -2.754 25098 4097 1 10 . 1 1 117 117 HIS H H 117 8.670 8.670 7.936 0.734 25098 4098 1 10 . 1 1 118 118 GLY N N 118 109.716 109.716 107.238 2.478 25098 4099 1 10 . 1 1 118 118 GLY CA C 118 43.143 43.143 43.431 -0.288 25098 4100 1 10 . 1 1 118 118 GLY H H 118 8.350 8.350 8.472 -0.122 25098 4101 1 10 . 1 1 119 119 LYS N N 119 120.631 120.631 122.316 -1.685 25098 4102 1 10 . 1 1 119 119 LYS HA H 119 4.949 4.949 5.073 -0.124 25098 4103 1 10 . 1 1 119 119 LYS CA C 119 55.192 55.192 54.573 0.619 25098 4104 1 10 . 1 1 119 119 LYS CB C 119 36.931 36.931 36.985 -0.054 25098 4105 1 10 . 1 1 119 119 LYS H H 119 8.561 8.561 8.959 -0.398 25098 4106 1 10 . 1 1 120 120 MET N N 120 123.525 123.525 123.837 -0.312 25098 4107 1 10 . 1 1 120 120 MET HA H 120 5.565 5.565 5.418 0.147 25098 4108 1 10 . 1 1 120 120 MET CA C 120 53.142 53.142 54.490 -1.348 25098 4109 1 10 . 1 1 120 120 MET CB C 120 37.448 37.448 37.496 -0.048 25098 4110 1 10 . 1 1 120 120 MET H H 120 9.329 9.329 9.246 0.083 25098 4111 1 10 . 1 1 121 121 ILE N N 121 127.707 127.707 126.563 1.144 25098 4112 1 10 . 1 1 121 121 ILE HA H 121 4.890 4.890 5.050 -0.160 25098 4113 1 10 . 1 1 121 121 ILE CA C 121 60.048 60.048 60.403 -0.355 25098 4114 1 10 . 1 1 121 121 ILE CB C 121 39.806 39.806 40.217 -0.411 25098 4115 1 10 . 1 1 121 121 ILE H H 121 9.471 9.471 9.341 0.130 25098 4116 1 10 . 1 1 122 122 VAL N N 122 127.738 127.738 128.702 -0.964 25098 4117 1 10 . 1 1 122 122 VAL HA H 122 4.994 4.994 4.786 0.208 25098 4118 1 10 . 1 1 122 122 VAL CA C 122 60.618 60.618 61.905 -1.287 25098 4119 1 10 . 1 1 122 122 VAL CB C 122 33.297 33.297 32.825 0.471 25098 4120 1 10 . 1 1 122 122 VAL H H 122 9.350 9.350 9.112 0.238 25098 4121 1 11 . 1 1 28 28 MET N N 28 119.966 119.966 122.489 -2.523 25098 4122 1 11 . 1 1 28 28 MET H H 28 8.438 8.438 7.981 0.457 25098 4123 1 11 . 1 1 29 29 GLY N N 29 109.326 109.326 114.199 -4.873 25098 4124 1 11 . 1 1 29 29 GLY CA C 29 44.803 44.803 44.628 0.175 25098 4125 1 11 . 1 1 29 29 GLY H H 29 8.343 8.343 8.520 -0.177 25098 4126 1 11 . 1 1 30 30 GLN N N 30 121.171 121.171 119.967 1.204 25098 4127 1 11 . 1 1 30 30 GLN HA H 30 4.548 4.548 4.638 -0.090 25098 4128 1 11 . 1 1 30 30 GLN CA C 30 54.981 54.981 54.449 0.532 25098 4129 1 11 . 1 1 30 30 GLN CB C 30 30.824 30.824 33.564 -2.740 25098 4130 1 11 . 1 1 30 30 GLN H H 30 8.174 8.174 8.755 -0.581 25098 4131 1 11 . 1 1 31 31 LYS N N 31 125.160 125.160 123.908 1.252 25098 4132 1 11 . 1 1 31 31 LYS HA H 31 4.829 4.829 4.399 0.430 25098 4133 1 11 . 1 1 31 31 LYS CA C 31 55.952 55.952 55.548 0.404 25098 4134 1 11 . 1 1 31 31 LYS CB C 31 33.322 33.322 33.833 -0.511 25098 4135 1 11 . 1 1 31 31 LYS H H 31 8.713 8.713 8.700 0.013 25098 4136 1 11 . 1 1 32 32 ALA N N 32 123.842 123.842 129.433 -5.591 25098 4137 1 11 . 1 1 32 32 ALA HA H 32 4.125 4.125 4.262 -0.137 25098 4138 1 11 . 1 1 32 32 ALA CA C 32 52.301 52.301 51.986 0.315 25098 4139 1 11 . 1 1 32 32 ALA CB C 32 18.956 18.956 20.128 -1.172 25098 4140 1 11 . 1 1 32 32 ALA H H 32 8.152 8.152 8.133 0.019 25098 4141 1 11 . 1 1 33 33 GLN N N 33 121.807 121.807 120.503 1.304 25098 4142 1 11 . 1 1 33 33 GLN HA H 33 4.380 4.380 4.367 0.013 25098 4143 1 11 . 1 1 33 33 GLN CA C 33 55.299 55.299 55.126 0.173 25098 4144 1 11 . 1 1 33 33 GLN CB C 33 29.835 29.835 29.824 0.011 25098 4145 1 11 . 1 1 33 33 GLN H H 33 8.808 8.808 8.355 0.453 25098 4146 1 11 . 1 1 34 34 GLN N N 34 124.320 124.320 123.440 0.880 25098 4147 1 11 . 1 1 34 34 GLN HA H 34 4.212 4.212 4.324 -0.112 25098 4148 1 11 . 1 1 34 34 GLN CA C 34 55.368 55.368 55.604 -0.236 25098 4149 1 11 . 1 1 34 34 GLN CB C 34 27.615 27.615 29.326 -1.711 25098 4150 1 11 . 1 1 34 34 GLN H H 34 9.025 9.025 8.508 0.517 25098 4151 1 11 . 1 1 35 35 LYS N N 35 126.662 126.662 123.587 3.075 25098 4152 1 11 . 1 1 35 35 LYS HA H 35 4.441 4.441 4.317 0.124 25098 4153 1 11 . 1 1 35 35 LYS CA C 35 54.126 54.126 54.214 -0.088 25098 4154 1 11 . 1 1 35 35 LYS CB C 35 31.475 31.475 32.785 -1.310 25098 4155 1 11 . 1 1 35 35 LYS H H 35 8.479 8.479 8.588 -0.109 25098 4156 1 11 . 1 1 36 36 ASN N N 36 118.026 118.026 118.602 -0.576 25098 4157 1 11 . 1 1 36 36 ASN HA H 36 4.611 4.611 4.549 0.062 25098 4158 1 11 . 1 1 36 36 ASN CA C 36 53.478 53.478 53.615 -0.137 25098 4159 1 11 . 1 1 36 36 ASN CB C 36 36.839 36.839 37.246 -0.407 25098 4160 1 11 . 1 1 36 36 ASN H H 36 8.062 8.062 8.299 -0.237 25098 4161 1 11 . 1 1 37 37 GLY N N 37 111.719 111.719 108.387 3.332 25098 4162 1 11 . 1 1 37 37 GLY CA C 37 45.230 45.230 45.429 -0.199 25098 4163 1 11 . 1 1 37 37 GLY H H 37 8.285 8.285 8.187 0.098 25098 4164 1 11 . 1 1 38 38 TYR N N 38 114.733 114.733 115.069 -0.336 25098 4165 1 11 . 1 1 38 38 TYR HA H 38 5.107 5.107 5.346 -0.239 25098 4166 1 11 . 1 1 38 38 TYR CA C 38 55.398 55.398 55.380 0.018 25098 4167 1 11 . 1 1 38 38 TYR CB C 38 39.246 39.246 40.533 -1.287 25098 4168 1 11 . 1 1 38 38 TYR H H 38 7.158 7.158 7.231 -0.073 25098 4169 1 11 . 1 1 39 39 GLN N N 39 117.964 117.964 117.318 0.646 25098 4170 1 11 . 1 1 39 39 GLN HA H 39 5.472 5.472 5.085 0.387 25098 4171 1 11 . 1 1 39 39 GLN CA C 39 52.396 52.396 53.709 -1.313 25098 4172 1 11 . 1 1 39 39 GLN CB C 39 30.812 30.812 32.447 -1.635 25098 4173 1 11 . 1 1 39 39 GLN H H 39 9.401 9.401 9.007 0.394 25098 4174 1 11 . 1 1 40 40 GLU N N 40 123.527 123.527 121.531 1.996 25098 4175 1 11 . 1 1 40 40 GLU HA H 40 5.809 5.809 5.601 0.208 25098 4176 1 11 . 1 1 40 40 GLU CA C 40 54.574 54.574 54.862 -0.288 25098 4177 1 11 . 1 1 40 40 GLU CB C 40 35.999 35.999 34.340 1.659 25098 4178 1 11 . 1 1 40 40 GLU H H 40 9.027 9.027 8.767 0.260 25098 4179 1 11 . 1 1 41 41 ILE N N 41 124.884 124.884 123.326 1.558 25098 4180 1 11 . 1 1 41 41 ILE HA H 41 4.686 4.686 4.532 0.154 25098 4181 1 11 . 1 1 41 41 ILE CA C 41 59.126 59.126 60.255 -1.129 25098 4182 1 11 . 1 1 41 41 ILE CB C 41 42.658 42.658 42.082 0.576 25098 4183 1 11 . 1 1 41 41 ILE H H 41 8.503 8.503 8.247 0.256 25098 4184 1 11 . 1 1 42 42 ARG N N 42 127.316 127.316 129.020 -1.704 25098 4185 1 11 . 1 1 42 42 ARG HA H 42 5.136 5.136 4.537 0.599 25098 4186 1 11 . 1 1 42 42 ARG CA C 42 54.461 54.461 56.013 -1.552 25098 4187 1 11 . 1 1 42 42 ARG CB C 42 32.141 32.141 30.536 1.605 25098 4188 1 11 . 1 1 42 42 ARG H H 42 7.942 7.942 8.633 -0.691 25098 4189 1 11 . 1 1 43 43 VAL N N 43 126.060 126.060 128.805 -2.745 25098 4190 1 11 . 1 1 43 43 VAL HA H 43 4.357 4.357 4.176 0.181 25098 4191 1 11 . 1 1 43 43 VAL CA C 43 61.020 61.020 60.266 0.754 25098 4192 1 11 . 1 1 43 43 VAL CB C 43 34.375 34.375 31.953 2.421 25098 4193 1 11 . 1 1 43 43 VAL H H 43 9.158 9.158 9.021 0.137 25098 4194 1 11 . 1 1 44 44 GLU N N 44 127.592 127.592 128.933 -1.341 25098 4195 1 11 . 1 1 44 44 GLU HA H 44 4.782 4.782 4.361 0.421 25098 4196 1 11 . 1 1 44 44 GLU CA C 44 55.944 55.944 56.643 -0.699 25098 4197 1 11 . 1 1 44 44 GLU CB C 44 31.779 31.779 30.012 1.766 25098 4198 1 11 . 1 1 44 44 GLU H H 44 9.086 9.086 8.925 0.161 25098 4199 1 11 . 1 1 45 45 VAL N N 45 126.323 126.323 128.635 -2.312 25098 4200 1 11 . 1 1 45 45 VAL HA H 45 4.910 4.910 4.832 0.078 25098 4201 1 11 . 1 1 45 45 VAL CA C 45 61.122 61.122 61.522 -0.400 25098 4202 1 11 . 1 1 45 45 VAL CB C 45 31.501 31.501 32.288 -0.787 25098 4203 1 11 . 1 1 45 45 VAL H H 45 8.617 8.617 8.974 -0.357 25098 4204 1 11 . 1 1 46 46 MET N N 46 127.658 127.658 124.454 3.204 25098 4205 1 11 . 1 1 46 46 MET HA H 46 4.755 4.755 4.839 -0.084 25098 4206 1 11 . 1 1 46 46 MET CA C 46 55.999 55.999 54.398 1.601 25098 4207 1 11 . 1 1 46 46 MET CB C 46 32.530 32.530 33.270 -0.740 25098 4208 1 11 . 1 1 46 46 MET H H 46 8.319 8.319 7.919 0.400 25098 4209 1 11 . 1 1 47 47 GLY N N 47 119.231 119.231 107.164 12.067 25098 4210 1 11 . 1 1 47 47 GLY CA C 47 46.863 46.863 45.129 1.734 25098 4211 1 11 . 1 1 47 47 GLY H H 47 10.065 10.065 8.692 1.373 25098 4212 1 11 . 1 1 48 48 GLY N N 48 102.924 102.924 105.810 -2.886 25098 4213 1 11 . 1 1 48 48 GLY CA C 48 43.176 43.176 44.523 -1.347 25098 4214 1 11 . 1 1 48 48 GLY H H 48 6.639 6.639 7.590 -0.951 25098 4215 1 11 . 1 1 49 49 TYR N N 49 120.115 120.115 118.737 1.378 25098 4216 1 11 . 1 1 49 49 TYR HA H 49 5.267 5.267 5.141 0.126 25098 4217 1 11 . 1 1 49 49 TYR CA C 49 56.991 56.991 57.466 -0.475 25098 4218 1 11 . 1 1 49 49 TYR CB C 49 40.490 40.490 38.836 1.654 25098 4219 1 11 . 1 1 49 49 TYR H H 49 8.364 8.364 8.565 -0.201 25098 4220 1 11 . 1 1 50 50 THR N N 50 117.545 117.545 119.315 -1.770 25098 4221 1 11 . 1 1 50 50 THR HA H 50 4.742 4.742 4.336 0.406 25098 4222 1 11 . 1 1 50 50 THR CA C 50 59.224 59.224 65.589 -6.365 25098 4223 1 11 . 1 1 50 50 THR CB C 50 71.576 71.576 67.791 3.785 25098 4224 1 11 . 1 1 50 50 THR H H 50 8.574 8.574 8.486 0.088 25098 4225 1 11 . 1 1 51 51 PRO HA H 51 4.928 4.928 4.564 0.364 25098 4226 1 11 . 1 1 51 51 PRO CA C 51 63.206 63.206 63.045 0.161 25098 4227 1 11 . 1 1 51 51 PRO CB C 51 34.946 34.946 31.139 3.807 25098 4228 1 11 . 1 1 52 52 GLU N N 52 114.661 114.661 121.231 -6.570 25098 4229 1 11 . 1 1 52 52 GLU HA H 52 4.468 4.468 4.134 0.334 25098 4230 1 11 . 1 1 52 52 GLU CA C 52 55.828 55.828 59.140 -3.312 25098 4231 1 11 . 1 1 52 52 GLU CB C 52 30.239 30.239 29.952 0.287 25098 4232 1 11 . 1 1 52 52 GLU H H 52 8.351 8.351 8.471 -0.120 25098 4233 1 11 . 1 1 53 53 LEU N N 53 123.273 123.273 116.245 7.028 25098 4234 1 11 . 1 1 53 53 LEU HA H 53 5.504 5.504 5.481 0.023 25098 4235 1 11 . 1 1 53 53 LEU CA C 53 54.005 54.005 52.281 1.724 25098 4236 1 11 . 1 1 53 53 LEU CB C 53 44.276 44.276 44.153 0.123 25098 4237 1 11 . 1 1 53 53 LEU H H 53 7.476 7.476 7.357 0.119 25098 4238 1 11 . 1 1 54 54 ILE N N 54 121.159 121.159 120.149 1.010 25098 4239 1 11 . 1 1 54 54 ILE HA H 54 5.238 5.238 5.280 -0.042 25098 4240 1 11 . 1 1 54 54 ILE CA C 54 59.006 59.006 59.220 -0.214 25098 4241 1 11 . 1 1 54 54 ILE CB C 54 41.979 41.979 39.073 2.906 25098 4242 1 11 . 1 1 54 54 ILE H H 54 8.732 8.732 9.229 -0.497 25098 4243 1 11 . 1 1 55 55 VAL N N 55 123.295 123.295 126.941 -3.646 25098 4244 1 11 . 1 1 55 55 VAL HA H 55 5.138 5.138 4.836 0.302 25098 4245 1 11 . 1 1 55 55 VAL CA C 55 61.216 61.216 62.393 -1.177 25098 4246 1 11 . 1 1 55 55 VAL CB C 55 33.376 33.376 32.574 0.802 25098 4247 1 11 . 1 1 55 55 VAL H H 55 8.456 8.456 8.738 -0.282 25098 4248 1 11 . 1 1 56 56 LEU N N 56 129.681 129.681 127.786 1.895 25098 4249 1 11 . 1 1 56 56 LEU HA H 56 4.637 4.637 4.753 -0.116 25098 4250 1 11 . 1 1 56 56 LEU CA C 56 53.044 53.044 53.669 -0.625 25098 4251 1 11 . 1 1 56 56 LEU CB C 56 45.712 45.712 46.123 -0.411 25098 4252 1 11 . 1 1 56 56 LEU H H 56 9.646 9.646 9.295 0.351 25098 4253 1 11 . 1 1 57 57 LYS N N 57 121.874 121.874 118.945 2.929 25098 4254 1 11 . 1 1 57 57 LYS HA H 57 4.815 4.815 4.571 0.244 25098 4255 1 11 . 1 1 57 57 LYS CA C 57 55.095 55.095 55.698 -0.603 25098 4256 1 11 . 1 1 57 57 LYS CB C 57 33.701 33.701 34.277 -0.576 25098 4257 1 11 . 1 1 57 57 LYS H H 57 9.619 9.619 8.395 1.224 25098 4258 1 11 . 1 1 58 58 LYS N N 58 124.865 124.865 121.440 3.425 25098 4259 1 11 . 1 1 58 58 LYS HA H 58 3.714 3.714 4.664 -0.950 25098 4260 1 11 . 1 1 58 58 LYS CA C 58 57.532 57.532 55.352 2.179 25098 4261 1 11 . 1 1 58 58 LYS CB C 58 33.246 33.246 33.856 -0.610 25098 4262 1 11 . 1 1 58 58 LYS H H 58 8.793 8.793 8.097 0.696 25098 4263 1 11 . 1 1 59 59 SER N N 59 113.482 113.482 118.039 -4.557 25098 4264 1 11 . 1 1 59 59 SER HA H 59 4.084 4.084 4.111 -0.027 25098 4265 1 11 . 1 1 59 59 SER CA C 59 61.005 61.005 59.885 1.120 25098 4266 1 11 . 1 1 59 59 SER CB C 59 60.917 60.917 62.729 -1.812 25098 4267 1 11 . 1 1 59 59 SER H H 59 8.946 8.946 9.182 -0.236 25098 4268 1 11 . 1 1 60 60 VAL N N 60 123.081 123.081 121.843 1.238 25098 4269 1 11 . 1 1 60 60 VAL HA H 60 4.448 4.448 4.639 -0.191 25098 4270 1 11 . 1 1 60 60 VAL CA C 60 59.101 59.101 58.404 0.697 25098 4271 1 11 . 1 1 60 60 VAL CB C 60 33.818 33.818 35.147 -1.329 25098 4272 1 11 . 1 1 60 60 VAL H H 60 6.974 6.974 7.604 -0.630 25098 4273 1 11 . 1 1 61 61 PRO HA H 61 4.405 4.405 4.687 -0.282 25098 4274 1 11 . 1 1 61 61 PRO CA C 61 64.752 64.752 62.967 1.785 25098 4275 1 11 . 1 1 61 61 PRO CB C 61 32.273 32.273 31.226 1.048 25098 4276 1 11 . 1 1 62 62 ALA N N 62 124.881 124.881 126.590 -1.709 25098 4277 1 11 . 1 1 62 62 ALA HA H 62 5.452 5.452 5.340 0.112 25098 4278 1 11 . 1 1 62 62 ALA CA C 62 49.746 49.746 50.324 -0.578 25098 4279 1 11 . 1 1 62 62 ALA CB C 62 22.483 22.483 22.807 -0.324 25098 4280 1 11 . 1 1 62 62 ALA H H 62 9.244 9.244 9.194 0.050 25098 4281 1 11 . 1 1 63 63 ARG N N 63 122.869 122.869 122.489 0.380 25098 4282 1 11 . 1 1 63 63 ARG HA H 63 4.498 4.498 5.489 -0.991 25098 4283 1 11 . 1 1 63 63 ARG CA C 63 55.022 55.022 53.563 1.459 25098 4284 1 11 . 1 1 63 63 ARG CB C 63 31.637 31.637 32.909 -1.272 25098 4285 1 11 . 1 1 63 63 ARG H H 63 8.858 8.858 9.143 -0.285 25098 4286 1 11 . 1 1 64 64 ILE N N 64 125.797 125.797 125.314 0.483 25098 4287 1 11 . 1 1 64 64 ILE HA H 64 4.367 4.367 4.327 0.041 25098 4288 1 11 . 1 1 64 64 ILE CA C 64 60.028 60.028 58.618 1.410 25098 4289 1 11 . 1 1 64 64 ILE CB C 64 37.499 37.499 37.361 0.138 25098 4290 1 11 . 1 1 64 64 ILE H H 64 9.033 9.033 8.912 0.121 25098 4291 1 11 . 1 1 65 65 VAL N N 65 127.998 127.998 128.075 -0.077 25098 4292 1 11 . 1 1 65 65 VAL HA H 65 4.122 4.122 4.175 -0.053 25098 4293 1 11 . 1 1 65 65 VAL CA C 65 61.697 61.697 62.188 -0.491 25098 4294 1 11 . 1 1 65 65 VAL CB C 65 32.480 32.480 30.877 1.603 25098 4295 1 11 . 1 1 65 65 VAL H H 65 8.800 8.800 8.828 -0.028 25098 4296 1 11 . 1 1 66 66 PHE N N 66 126.431 126.431 128.626 -2.195 25098 4297 1 11 . 1 1 66 66 PHE HA H 66 5.190 5.190 5.133 0.057 25098 4298 1 11 . 1 1 66 66 PHE CA C 66 58.012 58.012 56.824 1.188 25098 4299 1 11 . 1 1 66 66 PHE CB C 66 41.731 41.731 39.703 2.028 25098 4300 1 11 . 1 1 66 66 PHE H H 66 9.536 9.536 9.431 0.105 25098 4301 1 11 . 1 1 67 67 ASP N N 67 123.469 123.469 125.339 -1.870 25098 4302 1 11 . 1 1 67 67 ASP HA H 67 4.986 4.986 5.024 -0.038 25098 4303 1 11 . 1 1 67 67 ASP CA C 67 52.158 52.158 53.850 -1.692 25098 4304 1 11 . 1 1 67 67 ASP CB C 67 42.083 42.083 42.354 -0.271 25098 4305 1 11 . 1 1 67 67 ASP H H 67 8.806 8.806 8.909 -0.103 25098 4306 1 11 . 1 1 68 68 ARG N N 68 124.864 124.864 128.480 -3.616 25098 4307 1 11 . 1 1 68 68 ARG HA H 68 4.760 4.760 4.362 0.398 25098 4308 1 11 . 1 1 68 68 ARG CA C 68 58.018 58.018 56.698 1.320 25098 4309 1 11 . 1 1 68 68 ARG CB C 68 30.605 30.605 29.750 0.855 25098 4310 1 11 . 1 1 68 68 ARG H H 68 8.598 8.598 8.413 0.185 25098 4311 1 11 . 1 1 69 69 LYS N N 69 126.910 126.910 126.544 0.366 25098 4312 1 11 . 1 1 69 69 LYS HA H 69 4.662 4.662 4.345 0.317 25098 4313 1 11 . 1 1 69 69 LYS CA C 69 55.222 55.222 56.870 -1.647 25098 4314 1 11 . 1 1 69 69 LYS CB C 69 34.788 34.788 33.288 1.500 25098 4315 1 11 . 1 1 69 69 LYS H H 69 8.348 8.348 8.820 -0.472 25098 4316 1 11 . 1 1 70 70 ASP N N 70 119.420 119.420 119.597 -0.177 25098 4317 1 11 . 1 1 70 70 ASP HA H 70 5.085 5.085 4.921 0.164 25098 4318 1 11 . 1 1 70 70 ASP CA C 70 49.872 49.872 51.337 -1.465 25098 4319 1 11 . 1 1 70 70 ASP CB C 70 45.194 45.194 42.825 2.369 25098 4320 1 11 . 1 1 70 70 ASP H H 70 6.675 6.675 7.887 -1.212 25098 4321 1 11 . 1 1 71 71 PRO HA H 71 4.589 4.589 4.522 0.067 25098 4322 1 11 . 1 1 71 71 PRO CA C 71 63.781 63.781 62.500 1.281 25098 4323 1 11 . 1 1 72 72 SER N N 72 121.578 121.578 116.774 4.804 25098 4324 1 11 . 1 1 72 72 SER HA H 72 4.462 4.462 4.495 -0.033 25098 4325 1 11 . 1 1 72 72 SER CA C 72 57.029 57.029 55.544 1.485 25098 4326 1 11 . 1 1 72 72 SER CB C 72 63.781 63.781 64.578 -0.797 25098 4327 1 11 . 1 1 72 72 SER H H 72 8.624 8.624 7.596 1.028 25098 4328 1 11 . 1 1 73 73 PRO HA H 73 4.348 4.348 4.332 0.016 25098 4329 1 11 . 1 1 73 73 PRO CA C 73 64.297 64.297 64.635 -0.338 25098 4330 1 11 . 1 1 74 74 CYS N N 74 114.456 114.456 115.579 -1.123 25098 4331 1 11 . 1 1 74 74 CYS HA H 74 4.320 4.320 4.305 0.015 25098 4332 1 11 . 1 1 74 74 CYS CA C 74 60.192 60.192 60.905 -0.713 25098 4333 1 11 . 1 1 74 74 CYS CB C 74 27.035 27.035 27.452 -0.417 25098 4334 1 11 . 1 1 74 74 CYS H H 74 8.010 8.010 7.605 0.405 25098 4335 1 11 . 1 1 75 75 LEU N N 75 120.476 120.476 117.854 2.622 25098 4336 1 11 . 1 1 75 75 LEU HA H 75 4.546 4.546 4.472 0.074 25098 4337 1 11 . 1 1 75 75 LEU CA C 75 53.987 53.987 53.928 0.059 25098 4338 1 11 . 1 1 75 75 LEU CB C 75 41.083 41.083 42.536 -1.453 25098 4339 1 11 . 1 1 75 75 LEU H H 75 7.629 7.629 7.409 0.220 25098 4340 1 11 . 1 1 76 76 ASP N N 76 117.861 117.861 119.250 -1.389 25098 4341 1 11 . 1 1 76 76 ASP HA H 76 4.466 4.466 4.441 0.025 25098 4342 1 11 . 1 1 76 76 ASP CB C 76 41.608 41.608 42.284 -0.676 25098 4343 1 11 . 1 1 76 76 ASP H H 76 7.465 7.465 7.586 -0.121 25098 4344 1 11 . 1 1 77 77 GLN HA H 77 5.368 5.368 4.737 0.631 25098 4345 1 11 . 1 1 77 77 GLN CA C 77 53.830 53.830 54.696 -0.866 25098 4346 1 11 . 1 1 77 77 GLN CB C 77 33.290 33.290 33.631 -0.341 25098 4347 1 11 . 1 1 78 78 ILE N N 78 123.134 123.134 121.220 1.914 25098 4348 1 11 . 1 1 78 78 ILE HA H 78 4.893 4.893 4.469 0.424 25098 4349 1 11 . 1 1 78 78 ILE CA C 78 56.862 56.862 60.535 -3.673 25098 4350 1 11 . 1 1 78 78 ILE CB C 78 42.611 42.611 42.104 0.507 25098 4351 1 11 . 1 1 78 78 ILE H H 78 9.043 9.043 9.107 -0.064 25098 4352 1 11 . 1 1 79 79 VAL N N 79 125.068 125.068 127.863 -2.795 25098 4353 1 11 . 1 1 79 79 VAL HA H 79 4.911 4.911 5.471 -0.560 25098 4354 1 11 . 1 1 79 79 VAL CB C 79 35.336 35.336 35.757 -0.421 25098 4355 1 11 . 1 1 79 79 VAL H H 79 8.911 8.911 8.174 0.737 25098 4356 1 11 . 1 1 80 80 PHE N N 80 123.479 123.479 128.063 -4.584 25098 4357 1 11 . 1 1 80 80 PHE HA H 80 5.574 5.574 5.316 0.258 25098 4358 1 11 . 1 1 80 80 PHE CA C 80 53.684 53.684 55.502 -1.818 25098 4359 1 11 . 1 1 80 80 PHE CB C 80 39.905 39.905 39.546 0.359 25098 4360 1 11 . 1 1 80 80 PHE H H 80 8.628 8.628 9.629 -1.001 25098 4361 1 11 . 1 1 81 81 PRO HA H 81 4.427 4.427 4.355 0.072 25098 4362 1 11 . 1 1 81 81 PRO CA C 81 65.254 65.254 65.063 0.191 25098 4363 1 11 . 1 1 81 81 PRO CB C 81 32.319 32.319 31.487 0.832 25098 4364 1 11 . 1 1 82 82 ASP N N 82 114.119 114.119 118.084 -3.965 25098 4365 1 11 . 1 1 82 82 ASP HA H 82 4.484 4.484 4.615 -0.131 25098 4366 1 11 . 1 1 82 82 ASP CA C 82 55.569 55.569 55.150 0.419 25098 4367 1 11 . 1 1 82 82 ASP CB C 82 41.625 41.625 41.816 -0.191 25098 4368 1 11 . 1 1 82 82 ASP H H 82 8.692 8.692 8.538 0.154 25098 4369 1 11 . 1 1 83 83 PHE N N 83 113.198 113.198 117.941 -4.743 25098 4370 1 11 . 1 1 83 83 PHE HA H 83 4.618 4.618 4.554 0.064 25098 4371 1 11 . 1 1 83 83 PHE CA C 83 57.454 57.454 58.024 -0.570 25098 4372 1 11 . 1 1 83 83 PHE CB C 83 41.445 41.445 42.002 -0.556 25098 4373 1 11 . 1 1 83 83 PHE H H 83 7.434 7.434 7.693 -0.259 25098 4374 1 11 . 1 1 84 84 GLY N N 84 108.212 108.212 109.465 -1.253 25098 4375 1 11 . 1 1 84 84 GLY CA C 84 46.552 46.552 45.586 0.966 25098 4376 1 11 . 1 1 84 84 GLY H H 84 7.677 7.677 8.620 -0.943 25098 4377 1 11 . 1 1 85 85 VAL N N 85 117.875 117.875 121.682 -3.807 25098 4378 1 11 . 1 1 85 85 VAL HA H 85 4.270 4.270 4.378 -0.108 25098 4379 1 11 . 1 1 85 85 VAL CA C 85 61.664 61.664 61.971 -0.307 25098 4380 1 11 . 1 1 85 85 VAL CB C 85 34.286 34.286 33.296 0.990 25098 4381 1 11 . 1 1 85 85 VAL H H 85 7.075 7.075 7.588 -0.513 25098 4382 1 11 . 1 1 86 86 HIS N N 86 129.355 129.355 128.706 0.649 25098 4383 1 11 . 1 1 86 86 HIS HA H 86 5.204 5.204 5.602 -0.398 25098 4384 1 11 . 1 1 86 86 HIS CA C 86 55.513 55.513 54.578 0.935 25098 4385 1 11 . 1 1 86 86 HIS CB C 86 31.131 31.131 31.940 -0.809 25098 4386 1 11 . 1 1 86 86 HIS H H 86 8.921 8.921 8.870 0.051 25098 4387 1 11 . 1 1 87 87 ALA N N 87 126.717 126.717 129.565 -2.848 25098 4388 1 11 . 1 1 87 87 ALA HA H 87 4.749 4.749 4.504 0.245 25098 4389 1 11 . 1 1 87 87 ALA CA C 87 50.886 50.886 50.249 0.637 25098 4390 1 11 . 1 1 87 87 ALA CB C 87 22.088 22.088 22.552 -0.464 25098 4391 1 11 . 1 1 87 87 ALA H H 87 8.799 8.799 9.158 -0.359 25098 4392 1 11 . 1 1 88 88 ASN N N 88 119.348 119.348 116.680 2.668 25098 4393 1 11 . 1 1 88 88 ASN HA H 88 5.125 5.125 4.896 0.229 25098 4394 1 11 . 1 1 88 88 ASN CA C 88 51.796 51.796 51.696 0.100 25098 4395 1 11 . 1 1 88 88 ASN CB C 88 39.015 39.015 39.979 -0.964 25098 4396 1 11 . 1 1 88 88 ASN H H 88 8.230 8.230 8.062 0.168 25098 4397 1 11 . 1 1 89 89 LEU N N 89 122.766 122.766 119.894 2.872 25098 4398 1 11 . 1 1 89 89 LEU HA H 89 4.440 4.440 4.773 -0.333 25098 4399 1 11 . 1 1 89 89 LEU CA C 89 50.791 50.791 51.891 -1.100 25098 4400 1 11 . 1 1 89 89 LEU CB C 89 42.662 42.662 43.104 -0.442 25098 4401 1 11 . 1 1 89 89 LEU H H 89 8.356 8.356 8.738 -0.382 25098 4402 1 11 . 1 1 90 90 PRO HA H 90 4.434 4.434 4.562 -0.128 25098 4403 1 11 . 1 1 90 90 PRO CA C 90 61.669 61.669 62.319 -0.650 25098 4404 1 11 . 1 1 91 91 MET N N 91 121.751 121.751 125.243 -3.492 25098 4405 1 11 . 1 1 91 91 MET HA H 91 4.144 4.144 4.085 0.059 25098 4406 1 11 . 1 1 91 91 MET CA C 91 55.460 55.460 55.075 0.385 25098 4407 1 11 . 1 1 91 91 MET CB C 91 30.951 30.951 32.228 -1.277 25098 4408 1 11 . 1 1 91 91 MET H H 91 8.709 8.709 8.478 0.231 25098 4409 1 11 . 1 1 92 92 GLY N N 92 112.856 112.856 114.113 -1.257 25098 4410 1 11 . 1 1 92 92 GLY CA C 92 46.265 46.265 44.988 1.277 25098 4411 1 11 . 1 1 92 92 GLY H H 92 8.325 8.325 8.772 -0.447 25098 4412 1 11 . 1 1 93 93 GLU N N 93 116.930 116.930 118.582 -1.652 25098 4413 1 11 . 1 1 93 93 GLU HA H 93 4.747 4.747 4.707 0.040 25098 4414 1 11 . 1 1 93 93 GLU CA C 93 54.151 54.151 54.522 -0.371 25098 4415 1 11 . 1 1 93 93 GLU CB C 93 33.784 33.784 33.147 0.637 25098 4416 1 11 . 1 1 93 93 GLU H H 93 7.331 7.331 7.839 -0.508 25098 4417 1 11 . 1 1 94 94 GLU N N 94 119.837 119.837 118.979 0.858 25098 4418 1 11 . 1 1 94 94 GLU HA H 94 5.103 5.103 5.219 -0.116 25098 4419 1 11 . 1 1 94 94 GLU CA C 94 55.340 55.340 54.987 0.353 25098 4420 1 11 . 1 1 94 94 GLU CB C 94 31.196 31.196 31.735 -0.539 25098 4421 1 11 . 1 1 94 94 GLU H H 94 8.418 8.418 8.605 -0.187 25098 4422 1 11 . 1 1 95 95 TYR N N 95 124.949 124.949 125.047 -0.098 25098 4423 1 11 . 1 1 95 95 TYR HA H 95 4.637 4.637 4.764 -0.127 25098 4424 1 11 . 1 1 95 95 TYR CA C 95 58.125 58.125 57.383 0.742 25098 4425 1 11 . 1 1 95 95 TYR CB C 95 43.144 43.144 41.034 2.110 25098 4426 1 11 . 1 1 95 95 TYR H H 95 9.059 9.059 9.232 -0.173 25098 4427 1 11 . 1 1 96 96 VAL N N 96 128.075 128.075 127.152 0.923 25098 4428 1 11 . 1 1 96 96 VAL HA H 96 4.440 4.440 4.835 -0.395 25098 4429 1 11 . 1 1 96 96 VAL CA C 96 61.772 61.772 60.719 1.052 25098 4430 1 11 . 1 1 96 96 VAL CB C 96 32.805 32.805 33.883 -1.078 25098 4431 1 11 . 1 1 96 96 VAL H H 96 7.795 7.795 8.317 -0.522 25098 4432 1 11 . 1 1 97 97 VAL N N 97 129.541 129.541 130.121 -0.580 25098 4433 1 11 . 1 1 97 97 VAL HA H 97 3.917 3.917 4.274 -0.357 25098 4434 1 11 . 1 1 97 97 VAL CA C 97 61.821 61.821 61.615 0.206 25098 4435 1 11 . 1 1 97 97 VAL CB C 97 33.313 33.313 33.469 -0.156 25098 4436 1 11 . 1 1 97 97 VAL H H 97 9.110 9.110 8.998 0.112 25098 4437 1 11 . 1 1 98 98 GLU N N 98 127.575 127.575 129.002 -1.427 25098 4438 1 11 . 1 1 98 98 GLU HA H 98 5.237 5.237 4.729 0.508 25098 4439 1 11 . 1 1 98 98 GLU CA C 98 54.576 54.576 56.298 -1.722 25098 4440 1 11 . 1 1 98 98 GLU CB C 98 30.995 30.995 30.270 0.725 25098 4441 1 11 . 1 1 98 98 GLU H H 98 8.166 8.166 8.679 -0.513 25098 4442 1 11 . 1 1 99 99 ILE N N 99 118.374 118.374 120.776 -2.402 25098 4443 1 11 . 1 1 99 99 ILE HA H 99 4.386 4.386 4.582 -0.196 25098 4444 1 11 . 1 1 99 99 ILE CA C 99 59.143 59.143 58.996 0.147 25098 4445 1 11 . 1 1 99 99 ILE CB C 99 43.580 43.580 42.189 1.391 25098 4446 1 11 . 1 1 99 99 ILE H H 99 7.881 7.881 8.886 -1.005 25098 4447 1 11 . 1 1 100 100 THR N N 100 119.619 119.619 116.831 2.788 25098 4448 1 11 . 1 1 100 100 THR HA H 100 4.717 4.717 4.981 -0.264 25098 4449 1 11 . 1 1 100 100 THR CA C 100 58.983 58.983 59.324 -0.341 25098 4450 1 11 . 1 1 100 100 THR CB C 100 69.121 69.121 69.686 -0.565 25098 4451 1 11 . 1 1 100 100 THR H H 100 8.885 8.885 8.456 0.430 25098 4452 1 11 . 1 1 101 101 PRO HA H 101 4.620 4.620 4.898 -0.278 25098 4453 1 11 . 1 1 101 101 PRO CA C 101 62.096 62.096 63.069 -0.973 25098 4454 1 11 . 1 1 101 101 PRO CB C 101 32.296 32.296 32.539 -0.243 25098 4455 1 11 . 1 1 102 102 GLU N N 102 124.589 124.589 124.242 0.347 25098 4456 1 11 . 1 1 102 102 GLU HA H 102 4.379 4.379 4.385 -0.006 25098 4457 1 11 . 1 1 102 102 GLU CA C 102 56.649 56.649 57.486 -0.837 25098 4458 1 11 . 1 1 102 102 GLU CB C 102 30.740 30.740 30.481 0.259 25098 4459 1 11 . 1 1 102 102 GLU H H 102 8.574 8.574 8.416 0.158 25098 4460 1 11 . 1 1 103 103 GLN N N 103 118.304 118.304 117.416 0.888 25098 4461 1 11 . 1 1 103 103 GLN HA H 103 4.662 4.662 4.602 0.060 25098 4462 1 11 . 1 1 103 103 GLN CA C 103 53.956 53.956 54.526 -0.570 25098 4463 1 11 . 1 1 103 103 GLN CB C 103 31.762 31.762 32.407 -0.645 25098 4464 1 11 . 1 1 103 103 GLN H H 103 8.518 8.518 7.806 0.712 25098 4465 1 11 . 1 1 104 104 ALA N N 104 124.603 124.603 125.800 -1.197 25098 4466 1 11 . 1 1 104 104 ALA HA H 104 4.195 4.195 4.407 -0.212 25098 4467 1 11 . 1 1 104 104 ALA CA C 104 51.886 51.886 51.909 -0.023 25098 4468 1 11 . 1 1 104 104 ALA CB C 104 19.377 19.377 19.201 0.176 25098 4469 1 11 . 1 1 104 104 ALA H H 104 8.575 8.575 8.451 0.124 25098 4470 1 11 . 1 1 105 105 GLY N N 105 108.486 108.486 111.245 -2.759 25098 4471 1 11 . 1 1 105 105 GLY CA C 105 44.726 44.726 45.142 -0.416 25098 4472 1 11 . 1 1 105 105 GLY H H 105 8.710 8.710 7.593 1.117 25098 4473 1 11 . 1 1 106 106 GLU N N 106 118.462 118.462 120.677 -2.215 25098 4474 1 11 . 1 1 106 106 GLU HA H 106 5.098 5.098 4.838 0.260 25098 4475 1 11 . 1 1 106 106 GLU CA C 106 54.382 54.382 55.889 -1.507 25098 4476 1 11 . 1 1 106 106 GLU CB C 106 31.878 31.878 30.776 1.102 25098 4477 1 11 . 1 1 106 106 GLU H H 106 7.620 7.620 8.292 -0.672 25098 4478 1 11 . 1 1 107 107 PHE N N 107 123.388 123.388 125.131 -1.743 25098 4479 1 11 . 1 1 107 107 PHE HA H 107 4.999 4.999 5.236 -0.237 25098 4480 1 11 . 1 1 107 107 PHE CA C 107 56.623 56.623 55.752 0.871 25098 4481 1 11 . 1 1 107 107 PHE CB C 107 43.035 43.035 42.169 0.866 25098 4482 1 11 . 1 1 107 107 PHE H H 107 9.381 9.381 9.287 0.094 25098 4483 1 11 . 1 1 108 108 SER N N 108 117.621 117.621 114.298 3.323 25098 4484 1 11 . 1 1 108 108 SER HA H 108 5.137 5.137 5.051 0.086 25098 4485 1 11 . 1 1 108 108 SER CA C 108 58.465 58.465 57.479 0.986 25098 4486 1 11 . 1 1 108 108 SER CB C 108 65.864 65.864 66.393 -0.529 25098 4487 1 11 . 1 1 108 108 SER H H 108 8.846 8.846 9.173 -0.327 25098 4488 1 11 . 1 1 109 109 PHE N N 109 116.119 116.119 114.285 1.834 25098 4489 1 11 . 1 1 109 109 PHE HA H 109 5.154 5.154 4.830 0.324 25098 4490 1 11 . 1 1 109 109 PHE CA C 109 55.800 55.800 56.449 -0.649 25098 4491 1 11 . 1 1 109 109 PHE CB C 109 39.858 39.858 41.079 -1.221 25098 4492 1 11 . 1 1 109 109 PHE H H 109 7.646 7.646 8.149 -0.503 25098 4493 1 11 . 1 1 110 110 ALA N N 110 121.615 121.615 122.419 -0.804 25098 4494 1 11 . 1 1 110 110 ALA HA H 110 5.258 5.258 4.908 0.350 25098 4495 1 11 . 1 1 110 110 ALA CA C 110 50.940 50.940 51.448 -0.508 25098 4496 1 11 . 1 1 110 110 ALA CB C 110 24.724 24.724 22.588 2.136 25098 4497 1 11 . 1 1 110 110 ALA H H 110 8.826 8.826 8.208 0.618 25098 4498 1 11 . 1 1 111 111 CYS N N 111 114.162 114.162 119.883 -5.721 25098 4499 1 11 . 1 1 111 111 CYS HA H 111 5.372 5.372 4.674 0.698 25098 4500 1 11 . 1 1 111 111 CYS CA C 111 55.651 55.651 58.177 -2.526 25098 4501 1 11 . 1 1 111 111 CYS CB C 111 33.551 33.551 29.529 4.022 25098 4502 1 11 . 1 1 111 111 CYS H H 111 7.820 7.820 8.577 -0.757 25098 4503 1 11 . 1 1 112 112 GLY N N 112 108.348 108.348 115.226 -6.878 25098 4504 1 11 . 1 1 112 112 GLY H H 112 8.277 8.277 8.402 -0.125 25098 4505 1 11 . 1 1 117 117 HIS N N 117 117.324 117.324 120.497 -3.173 25098 4506 1 11 . 1 1 117 117 HIS HA H 117 4.540 4.540 4.641 -0.101 25098 4507 1 11 . 1 1 117 117 HIS CA C 117 56.897 56.897 56.095 0.802 25098 4508 1 11 . 1 1 117 117 HIS CB C 117 29.675 29.675 31.361 -1.686 25098 4509 1 11 . 1 1 117 117 HIS H H 117 8.670 8.670 8.476 0.194 25098 4510 1 11 . 1 1 118 118 GLY N N 118 109.716 109.716 112.456 -2.740 25098 4511 1 11 . 1 1 118 118 GLY CA C 118 43.143 43.143 44.312 -1.169 25098 4512 1 11 . 1 1 118 118 GLY H H 118 8.350 8.350 8.000 0.350 25098 4513 1 11 . 1 1 119 119 LYS N N 119 120.631 120.631 125.038 -4.407 25098 4514 1 11 . 1 1 119 119 LYS HA H 119 4.949 4.949 4.983 -0.034 25098 4515 1 11 . 1 1 119 119 LYS CA C 119 55.192 55.192 54.250 0.942 25098 4516 1 11 . 1 1 119 119 LYS CB C 119 36.931 36.931 37.246 -0.315 25098 4517 1 11 . 1 1 119 119 LYS H H 119 8.561 8.561 8.920 -0.359 25098 4518 1 11 . 1 1 120 120 MET N N 120 123.525 123.525 123.284 0.241 25098 4519 1 11 . 1 1 120 120 MET HA H 120 5.565 5.565 5.363 0.202 25098 4520 1 11 . 1 1 120 120 MET CA C 120 53.142 53.142 54.646 -1.504 25098 4521 1 11 . 1 1 120 120 MET CB C 120 37.448 37.448 37.464 -0.016 25098 4522 1 11 . 1 1 120 120 MET H H 120 9.329 9.329 9.232 0.097 25098 4523 1 11 . 1 1 121 121 ILE N N 121 127.707 127.707 127.164 0.543 25098 4524 1 11 . 1 1 121 121 ILE HA H 121 4.890 4.890 4.749 0.141 25098 4525 1 11 . 1 1 121 121 ILE CA C 121 60.048 60.048 60.201 -0.153 25098 4526 1 11 . 1 1 121 121 ILE CB C 121 39.806 39.806 39.812 -0.006 25098 4527 1 11 . 1 1 121 121 ILE H H 121 9.471 9.471 9.262 0.209 25098 4528 1 11 . 1 1 122 122 VAL N N 122 127.738 127.738 128.465 -0.727 25098 4529 1 11 . 1 1 122 122 VAL HA H 122 4.994 4.994 4.715 0.279 25098 4530 1 11 . 1 1 122 122 VAL CA C 122 60.618 60.618 60.631 -0.013 25098 4531 1 11 . 1 1 122 122 VAL CB C 122 33.297 33.297 31.555 1.742 25098 4532 1 11 . 1 1 122 122 VAL H H 122 9.350 9.350 8.456 0.894 25098 4533 1 12 . 1 1 28 28 MET N N 28 119.966 119.966 124.625 -4.659 25098 4534 1 12 . 1 1 28 28 MET H H 28 8.438 8.438 8.263 0.175 25098 4535 1 12 . 1 1 29 29 GLY N N 29 109.326 109.326 112.156 -2.830 25098 4536 1 12 . 1 1 29 29 GLY CA C 29 44.803 44.803 44.566 0.237 25098 4537 1 12 . 1 1 29 29 GLY H H 29 8.343 8.343 8.045 0.298 25098 4538 1 12 . 1 1 30 30 GLN N N 30 121.171 121.171 119.629 1.542 25098 4539 1 12 . 1 1 30 30 GLN HA H 30 4.548 4.548 4.616 -0.068 25098 4540 1 12 . 1 1 30 30 GLN CA C 30 54.981 54.981 54.837 0.144 25098 4541 1 12 . 1 1 30 30 GLN CB C 30 30.824 30.824 32.696 -1.872 25098 4542 1 12 . 1 1 30 30 GLN H H 30 8.174 8.174 8.868 -0.694 25098 4543 1 12 . 1 1 31 31 LYS N N 31 125.160 125.160 125.783 -0.623 25098 4544 1 12 . 1 1 31 31 LYS HA H 31 4.829 4.829 4.358 0.471 25098 4545 1 12 . 1 1 31 31 LYS CA C 31 55.952 55.952 55.946 0.006 25098 4546 1 12 . 1 1 31 31 LYS CB C 31 33.322 33.322 33.532 -0.210 25098 4547 1 12 . 1 1 31 31 LYS H H 31 8.713 8.713 8.771 -0.058 25098 4548 1 12 . 1 1 32 32 ALA N N 32 123.842 123.842 129.071 -5.229 25098 4549 1 12 . 1 1 32 32 ALA HA H 32 4.125 4.125 4.264 -0.139 25098 4550 1 12 . 1 1 32 32 ALA CA C 32 52.301 52.301 51.879 0.422 25098 4551 1 12 . 1 1 32 32 ALA CB C 32 18.956 18.956 20.100 -1.144 25098 4552 1 12 . 1 1 32 32 ALA H H 32 8.152 8.152 8.114 0.038 25098 4553 1 12 . 1 1 33 33 GLN N N 33 121.807 121.807 120.694 1.113 25098 4554 1 12 . 1 1 33 33 GLN HA H 33 4.380 4.380 4.282 0.098 25098 4555 1 12 . 1 1 33 33 GLN CA C 33 55.299 55.299 55.453 -0.154 25098 4556 1 12 . 1 1 33 33 GLN CB C 33 29.835 29.835 29.585 0.250 25098 4557 1 12 . 1 1 33 33 GLN H H 33 8.808 8.808 8.490 0.318 25098 4558 1 12 . 1 1 34 34 GLN N N 34 124.320 124.320 124.172 0.148 25098 4559 1 12 . 1 1 34 34 GLN HA H 34 4.212 4.212 4.355 -0.143 25098 4560 1 12 . 1 1 34 34 GLN CA C 34 55.368 55.368 55.812 -0.445 25098 4561 1 12 . 1 1 34 34 GLN CB C 34 27.615 27.615 29.509 -1.894 25098 4562 1 12 . 1 1 34 34 GLN H H 34 9.025 9.025 8.506 0.519 25098 4563 1 12 . 1 1 35 35 LYS N N 35 126.662 126.662 123.681 2.981 25098 4564 1 12 . 1 1 35 35 LYS HA H 35 4.441 4.441 4.256 0.185 25098 4565 1 12 . 1 1 35 35 LYS CA C 35 54.126 54.126 54.283 -0.157 25098 4566 1 12 . 1 1 35 35 LYS CB C 35 31.475 31.475 32.725 -1.250 25098 4567 1 12 . 1 1 35 35 LYS H H 35 8.479 8.479 8.611 -0.132 25098 4568 1 12 . 1 1 36 36 ASN N N 36 118.026 118.026 118.580 -0.554 25098 4569 1 12 . 1 1 36 36 ASN HA H 36 4.611 4.611 4.539 0.072 25098 4570 1 12 . 1 1 36 36 ASN CA C 36 53.478 53.478 53.696 -0.218 25098 4571 1 12 . 1 1 36 36 ASN CB C 36 36.839 36.839 37.292 -0.453 25098 4572 1 12 . 1 1 36 36 ASN H H 36 8.062 8.062 8.258 -0.196 25098 4573 1 12 . 1 1 37 37 GLY N N 37 111.719 111.719 108.696 3.023 25098 4574 1 12 . 1 1 37 37 GLY CA C 37 45.230 45.230 45.471 -0.241 25098 4575 1 12 . 1 1 37 37 GLY H H 37 8.285 8.285 8.181 0.104 25098 4576 1 12 . 1 1 38 38 TYR N N 38 114.733 114.733 114.536 0.197 25098 4577 1 12 . 1 1 38 38 TYR HA H 38 5.107 5.107 5.299 -0.192 25098 4578 1 12 . 1 1 38 38 TYR CA C 38 55.398 55.398 55.198 0.200 25098 4579 1 12 . 1 1 38 38 TYR CB C 38 39.246 39.246 40.252 -1.006 25098 4580 1 12 . 1 1 38 38 TYR H H 38 7.158 7.158 7.218 -0.060 25098 4581 1 12 . 1 1 39 39 GLN N N 39 117.964 117.964 117.091 0.873 25098 4582 1 12 . 1 1 39 39 GLN HA H 39 5.472 5.472 5.074 0.398 25098 4583 1 12 . 1 1 39 39 GLN CA C 39 52.396 52.396 53.776 -1.380 25098 4584 1 12 . 1 1 39 39 GLN CB C 39 30.812 30.812 32.539 -1.727 25098 4585 1 12 . 1 1 39 39 GLN H H 39 9.401 9.401 8.918 0.483 25098 4586 1 12 . 1 1 40 40 GLU N N 40 123.527 123.527 121.394 2.133 25098 4587 1 12 . 1 1 40 40 GLU HA H 40 5.809 5.809 5.593 0.216 25098 4588 1 12 . 1 1 40 40 GLU CA C 40 54.574 54.574 54.741 -0.167 25098 4589 1 12 . 1 1 40 40 GLU CB C 40 35.999 35.999 34.456 1.543 25098 4590 1 12 . 1 1 40 40 GLU H H 40 9.027 9.027 8.879 0.148 25098 4591 1 12 . 1 1 41 41 ILE N N 41 124.884 124.884 122.800 2.084 25098 4592 1 12 . 1 1 41 41 ILE HA H 41 4.686 4.686 4.520 0.166 25098 4593 1 12 . 1 1 41 41 ILE CA C 41 59.126 59.126 60.292 -1.166 25098 4594 1 12 . 1 1 41 41 ILE CB C 41 42.658 42.658 42.031 0.627 25098 4595 1 12 . 1 1 41 41 ILE H H 41 8.503 8.503 8.202 0.301 25098 4596 1 12 . 1 1 42 42 ARG N N 42 127.316 127.316 129.234 -1.918 25098 4597 1 12 . 1 1 42 42 ARG HA H 42 5.136 5.136 4.481 0.655 25098 4598 1 12 . 1 1 42 42 ARG CA C 42 54.461 54.461 55.976 -1.515 25098 4599 1 12 . 1 1 42 42 ARG CB C 42 32.141 32.141 30.257 1.884 25098 4600 1 12 . 1 1 42 42 ARG H H 42 7.942 7.942 8.678 -0.736 25098 4601 1 12 . 1 1 43 43 VAL N N 43 126.060 126.060 126.840 -0.780 25098 4602 1 12 . 1 1 43 43 VAL HA H 43 4.357 4.357 4.289 0.068 25098 4603 1 12 . 1 1 43 43 VAL CA C 43 61.020 61.020 61.654 -0.634 25098 4604 1 12 . 1 1 43 43 VAL CB C 43 34.375 34.375 32.603 1.772 25098 4605 1 12 . 1 1 43 43 VAL H H 43 9.158 9.158 8.925 0.233 25098 4606 1 12 . 1 1 44 44 GLU N N 44 127.592 127.592 129.293 -1.701 25098 4607 1 12 . 1 1 44 44 GLU HA H 44 4.782 4.782 4.344 0.438 25098 4608 1 12 . 1 1 44 44 GLU CA C 44 55.944 55.944 56.482 -0.538 25098 4609 1 12 . 1 1 44 44 GLU CB C 44 31.779 31.779 30.131 1.647 25098 4610 1 12 . 1 1 44 44 GLU H H 44 9.086 9.086 8.950 0.136 25098 4611 1 12 . 1 1 45 45 VAL N N 45 126.323 126.323 128.629 -2.306 25098 4612 1 12 . 1 1 45 45 VAL HA H 45 4.910 4.910 4.782 0.128 25098 4613 1 12 . 1 1 45 45 VAL CA C 45 61.122 61.122 61.580 -0.458 25098 4614 1 12 . 1 1 45 45 VAL CB C 45 31.501 31.501 32.207 -0.706 25098 4615 1 12 . 1 1 45 45 VAL H H 45 8.617 8.617 9.021 -0.404 25098 4616 1 12 . 1 1 46 46 MET N N 46 127.658 127.658 124.441 3.217 25098 4617 1 12 . 1 1 46 46 MET HA H 46 4.755 4.755 4.851 -0.096 25098 4618 1 12 . 1 1 46 46 MET CA C 46 55.999 55.999 54.330 1.669 25098 4619 1 12 . 1 1 46 46 MET CB C 46 32.530 32.530 33.158 -0.628 25098 4620 1 12 . 1 1 46 46 MET H H 46 8.319 8.319 7.950 0.369 25098 4621 1 12 . 1 1 47 47 GLY N N 47 119.231 119.231 106.984 12.247 25098 4622 1 12 . 1 1 47 47 GLY CA C 47 46.863 46.863 45.263 1.600 25098 4623 1 12 . 1 1 47 47 GLY H H 47 10.065 10.065 8.649 1.417 25098 4624 1 12 . 1 1 48 48 GLY N N 48 102.924 102.924 105.440 -2.516 25098 4625 1 12 . 1 1 48 48 GLY CA C 48 43.176 43.176 44.023 -0.847 25098 4626 1 12 . 1 1 48 48 GLY H H 48 6.639 6.639 7.560 -0.921 25098 4627 1 12 . 1 1 49 49 TYR N N 49 120.115 120.115 118.539 1.576 25098 4628 1 12 . 1 1 49 49 TYR HA H 49 5.267 5.267 5.011 0.256 25098 4629 1 12 . 1 1 49 49 TYR CA C 49 56.991 56.991 57.496 -0.505 25098 4630 1 12 . 1 1 49 49 TYR CB C 49 40.490 40.490 38.099 2.391 25098 4631 1 12 . 1 1 49 49 TYR H H 49 8.364 8.364 8.467 -0.103 25098 4632 1 12 . 1 1 50 50 THR N N 50 117.545 117.545 119.201 -1.656 25098 4633 1 12 . 1 1 50 50 THR HA H 50 4.742 4.742 4.348 0.394 25098 4634 1 12 . 1 1 50 50 THR CA C 50 59.224 59.224 65.390 -6.166 25098 4635 1 12 . 1 1 50 50 THR CB C 50 71.576 71.576 67.824 3.752 25098 4636 1 12 . 1 1 50 50 THR H H 50 8.574 8.574 8.420 0.154 25098 4637 1 12 . 1 1 51 51 PRO HA H 51 4.928 4.928 4.695 0.233 25098 4638 1 12 . 1 1 51 51 PRO CA C 51 63.206 63.206 62.964 0.242 25098 4639 1 12 . 1 1 51 51 PRO CB C 51 34.946 34.946 31.443 3.503 25098 4640 1 12 . 1 1 52 52 GLU N N 52 114.661 114.661 121.466 -6.805 25098 4641 1 12 . 1 1 52 52 GLU HA H 52 4.468 4.468 4.091 0.377 25098 4642 1 12 . 1 1 52 52 GLU CA C 52 55.828 55.828 58.913 -3.085 25098 4643 1 12 . 1 1 52 52 GLU CB C 52 30.239 30.239 29.991 0.248 25098 4644 1 12 . 1 1 52 52 GLU H H 52 8.351 8.351 8.452 -0.101 25098 4645 1 12 . 1 1 53 53 LEU N N 53 123.273 123.273 116.212 7.061 25098 4646 1 12 . 1 1 53 53 LEU HA H 53 5.504 5.504 5.562 -0.058 25098 4647 1 12 . 1 1 53 53 LEU CA C 53 54.005 54.005 52.672 1.333 25098 4648 1 12 . 1 1 53 53 LEU CB C 53 44.276 44.276 44.123 0.152 25098 4649 1 12 . 1 1 53 53 LEU H H 53 7.476 7.476 7.584 -0.108 25098 4650 1 12 . 1 1 54 54 ILE N N 54 121.159 121.159 120.338 0.821 25098 4651 1 12 . 1 1 54 54 ILE HA H 54 5.238 5.238 5.324 -0.086 25098 4652 1 12 . 1 1 54 54 ILE CA C 54 59.006 59.006 59.110 -0.104 25098 4653 1 12 . 1 1 54 54 ILE CB C 54 41.979 41.979 39.410 2.569 25098 4654 1 12 . 1 1 54 54 ILE H H 54 8.732 8.732 9.197 -0.465 25098 4655 1 12 . 1 1 55 55 VAL N N 55 123.295 123.295 126.530 -3.235 25098 4656 1 12 . 1 1 55 55 VAL HA H 55 5.138 5.138 5.006 0.132 25098 4657 1 12 . 1 1 55 55 VAL CA C 55 61.216 61.216 60.861 0.355 25098 4658 1 12 . 1 1 55 55 VAL CB C 55 33.376 33.376 31.810 1.566 25098 4659 1 12 . 1 1 55 55 VAL H H 55 8.456 8.456 8.725 -0.269 25098 4660 1 12 . 1 1 56 56 LEU N N 56 129.681 129.681 127.359 2.322 25098 4661 1 12 . 1 1 56 56 LEU HA H 56 4.637 4.637 5.037 -0.400 25098 4662 1 12 . 1 1 56 56 LEU CA C 56 53.044 53.044 53.403 -0.359 25098 4663 1 12 . 1 1 56 56 LEU CB C 56 45.712 45.712 46.605 -0.893 25098 4664 1 12 . 1 1 56 56 LEU H H 56 9.646 9.646 9.334 0.312 25098 4665 1 12 . 1 1 57 57 LYS N N 57 121.874 121.874 119.816 2.058 25098 4666 1 12 . 1 1 57 57 LYS HA H 57 4.815 4.815 4.743 0.072 25098 4667 1 12 . 1 1 57 57 LYS CA C 57 55.095 55.095 55.656 -0.561 25098 4668 1 12 . 1 1 57 57 LYS CB C 57 33.701 33.701 34.166 -0.465 25098 4669 1 12 . 1 1 57 57 LYS H H 57 9.619 9.619 8.878 0.741 25098 4670 1 12 . 1 1 58 58 LYS N N 58 124.865 124.865 120.903 3.962 25098 4671 1 12 . 1 1 58 58 LYS HA H 58 3.714 3.714 4.608 -0.894 25098 4672 1 12 . 1 1 58 58 LYS CA C 58 57.532 57.532 55.235 2.297 25098 4673 1 12 . 1 1 58 58 LYS CB C 58 33.246 33.246 34.064 -0.818 25098 4674 1 12 . 1 1 58 58 LYS H H 58 8.793 8.793 8.066 0.727 25098 4675 1 12 . 1 1 59 59 SER N N 59 113.482 113.482 117.863 -4.381 25098 4676 1 12 . 1 1 59 59 SER HA H 59 4.084 4.084 4.096 -0.012 25098 4677 1 12 . 1 1 59 59 SER CA C 59 61.005 61.005 59.794 1.211 25098 4678 1 12 . 1 1 59 59 SER CB C 59 60.917 60.917 62.680 -1.763 25098 4679 1 12 . 1 1 59 59 SER H H 59 8.946 8.946 9.049 -0.103 25098 4680 1 12 . 1 1 60 60 VAL N N 60 123.081 123.081 121.543 1.538 25098 4681 1 12 . 1 1 60 60 VAL HA H 60 4.448 4.448 4.580 -0.132 25098 4682 1 12 . 1 1 60 60 VAL CA C 60 59.101 59.101 58.238 0.863 25098 4683 1 12 . 1 1 60 60 VAL CB C 60 33.818 33.818 34.964 -1.146 25098 4684 1 12 . 1 1 60 60 VAL H H 60 6.974 6.974 7.454 -0.480 25098 4685 1 12 . 1 1 61 61 PRO HA H 61 4.405 4.405 4.584 -0.179 25098 4686 1 12 . 1 1 61 61 PRO CA C 61 64.752 64.752 62.859 1.893 25098 4687 1 12 . 1 1 61 61 PRO CB C 61 32.273 32.273 31.328 0.945 25098 4688 1 12 . 1 1 62 62 ALA N N 62 124.881 124.881 126.589 -1.708 25098 4689 1 12 . 1 1 62 62 ALA HA H 62 5.452 5.452 5.279 0.173 25098 4690 1 12 . 1 1 62 62 ALA CA C 62 49.746 49.746 50.208 -0.462 25098 4691 1 12 . 1 1 62 62 ALA CB C 62 22.483 22.483 22.750 -0.267 25098 4692 1 12 . 1 1 62 62 ALA H H 62 9.244 9.244 9.163 0.081 25098 4693 1 12 . 1 1 63 63 ARG N N 63 122.869 122.869 122.160 0.709 25098 4694 1 12 . 1 1 63 63 ARG HA H 63 4.498 4.498 5.436 -0.938 25098 4695 1 12 . 1 1 63 63 ARG CA C 63 55.022 55.022 53.545 1.477 25098 4696 1 12 . 1 1 63 63 ARG CB C 63 31.637 31.637 32.897 -1.260 25098 4697 1 12 . 1 1 63 63 ARG H H 63 8.858 8.858 9.073 -0.215 25098 4698 1 12 . 1 1 64 64 ILE N N 64 125.797 125.797 125.329 0.468 25098 4699 1 12 . 1 1 64 64 ILE HA H 64 4.367 4.367 4.161 0.206 25098 4700 1 12 . 1 1 64 64 ILE CA C 64 60.028 60.028 58.662 1.366 25098 4701 1 12 . 1 1 64 64 ILE CB C 64 37.499 37.499 37.179 0.320 25098 4702 1 12 . 1 1 64 64 ILE H H 64 9.033 9.033 8.879 0.154 25098 4703 1 12 . 1 1 65 65 VAL N N 65 127.998 127.998 128.134 -0.136 25098 4704 1 12 . 1 1 65 65 VAL HA H 65 4.122 4.122 4.154 -0.032 25098 4705 1 12 . 1 1 65 65 VAL CA C 65 61.697 61.697 61.913 -0.216 25098 4706 1 12 . 1 1 65 65 VAL CB C 65 32.480 32.480 31.579 0.901 25098 4707 1 12 . 1 1 65 65 VAL H H 65 8.800 8.800 8.783 0.017 25098 4708 1 12 . 1 1 66 66 PHE N N 66 126.431 126.431 128.195 -1.764 25098 4709 1 12 . 1 1 66 66 PHE HA H 66 5.190 5.190 5.191 -0.001 25098 4710 1 12 . 1 1 66 66 PHE CA C 66 58.012 58.012 56.758 1.254 25098 4711 1 12 . 1 1 66 66 PHE CB C 66 41.731 41.731 40.313 1.418 25098 4712 1 12 . 1 1 66 66 PHE H H 66 9.536 9.536 9.491 0.045 25098 4713 1 12 . 1 1 67 67 ASP N N 67 123.469 123.469 125.496 -2.027 25098 4714 1 12 . 1 1 67 67 ASP HA H 67 4.986 4.986 4.978 0.008 25098 4715 1 12 . 1 1 67 67 ASP CA C 67 52.158 52.158 53.292 -1.134 25098 4716 1 12 . 1 1 67 67 ASP CB C 67 42.083 42.083 42.407 -0.324 25098 4717 1 12 . 1 1 67 67 ASP H H 67 8.806 8.806 8.896 -0.090 25098 4718 1 12 . 1 1 68 68 ARG N N 68 124.864 124.864 127.980 -3.116 25098 4719 1 12 . 1 1 68 68 ARG HA H 68 4.760 4.760 4.481 0.279 25098 4720 1 12 . 1 1 68 68 ARG CA C 68 58.018 58.018 56.757 1.261 25098 4721 1 12 . 1 1 68 68 ARG CB C 68 30.605 30.605 29.859 0.746 25098 4722 1 12 . 1 1 68 68 ARG H H 68 8.598 8.598 8.077 0.521 25098 4723 1 12 . 1 1 69 69 LYS N N 69 126.910 126.910 126.073 0.837 25098 4724 1 12 . 1 1 69 69 LYS HA H 69 4.662 4.662 4.366 0.296 25098 4725 1 12 . 1 1 69 69 LYS CA C 69 55.222 55.222 56.594 -1.372 25098 4726 1 12 . 1 1 69 69 LYS CB C 69 34.788 34.788 33.445 1.343 25098 4727 1 12 . 1 1 69 69 LYS H H 69 8.348 8.348 8.785 -0.437 25098 4728 1 12 . 1 1 70 70 ASP N N 70 119.420 119.420 119.705 -0.285 25098 4729 1 12 . 1 1 70 70 ASP HA H 70 5.085 5.085 4.934 0.151 25098 4730 1 12 . 1 1 70 70 ASP CA C 70 49.872 49.872 51.308 -1.436 25098 4731 1 12 . 1 1 70 70 ASP CB C 70 45.194 45.194 42.971 2.223 25098 4732 1 12 . 1 1 70 70 ASP H H 70 6.675 6.675 7.879 -1.204 25098 4733 1 12 . 1 1 71 71 PRO HA H 71 4.589 4.589 4.538 0.051 25098 4734 1 12 . 1 1 71 71 PRO CA C 71 63.781 63.781 62.703 1.078 25098 4735 1 12 . 1 1 72 72 SER N N 72 121.578 121.578 117.593 3.985 25098 4736 1 12 . 1 1 72 72 SER HA H 72 4.462 4.462 4.466 -0.004 25098 4737 1 12 . 1 1 72 72 SER CA C 72 57.029 57.029 55.518 1.511 25098 4738 1 12 . 1 1 72 72 SER CB C 72 63.781 63.781 64.103 -0.322 25098 4739 1 12 . 1 1 72 72 SER H H 72 8.624 8.624 7.587 1.037 25098 4740 1 12 . 1 1 73 73 PRO HA H 73 4.348 4.348 4.353 -0.005 25098 4741 1 12 . 1 1 73 73 PRO CA C 73 64.297 64.297 64.947 -0.650 25098 4742 1 12 . 1 1 74 74 CYS N N 74 114.456 114.456 114.768 -0.312 25098 4743 1 12 . 1 1 74 74 CYS HA H 74 4.320 4.320 4.403 -0.083 25098 4744 1 12 . 1 1 74 74 CYS CA C 74 60.192 60.192 58.809 1.383 25098 4745 1 12 . 1 1 74 74 CYS CB C 74 27.035 27.035 26.608 0.427 25098 4746 1 12 . 1 1 74 74 CYS H H 74 8.010 8.010 8.147 -0.137 25098 4747 1 12 . 1 1 75 75 LEU N N 75 120.476 120.476 118.022 2.454 25098 4748 1 12 . 1 1 75 75 LEU HA H 75 4.546 4.546 4.461 0.085 25098 4749 1 12 . 1 1 75 75 LEU CA C 75 53.987 53.987 54.057 -0.070 25098 4750 1 12 . 1 1 75 75 LEU CB C 75 41.083 41.083 42.230 -1.147 25098 4751 1 12 . 1 1 75 75 LEU H H 75 7.629 7.629 7.416 0.213 25098 4752 1 12 . 1 1 76 76 ASP N N 76 117.861 117.861 119.316 -1.455 25098 4753 1 12 . 1 1 76 76 ASP HA H 76 4.466 4.466 4.400 0.066 25098 4754 1 12 . 1 1 76 76 ASP CB C 76 41.608 41.608 42.151 -0.543 25098 4755 1 12 . 1 1 76 76 ASP H H 76 7.465 7.465 7.450 0.015 25098 4756 1 12 . 1 1 77 77 GLN HA H 77 5.368 5.368 4.747 0.621 25098 4757 1 12 . 1 1 77 77 GLN CA C 77 53.830 53.830 54.796 -0.966 25098 4758 1 12 . 1 1 77 77 GLN CB C 77 33.290 33.290 33.722 -0.432 25098 4759 1 12 . 1 1 78 78 ILE N N 78 123.134 123.134 120.549 2.585 25098 4760 1 12 . 1 1 78 78 ILE HA H 78 4.893 4.893 4.480 0.413 25098 4761 1 12 . 1 1 78 78 ILE CA C 78 56.862 56.862 60.019 -3.157 25098 4762 1 12 . 1 1 78 78 ILE CB C 78 42.611 42.611 41.913 0.699 25098 4763 1 12 . 1 1 78 78 ILE H H 78 9.043 9.043 8.998 0.045 25098 4764 1 12 . 1 1 79 79 VAL N N 79 125.068 125.068 128.629 -3.561 25098 4765 1 12 . 1 1 79 79 VAL HA H 79 4.911 4.911 5.467 -0.556 25098 4766 1 12 . 1 1 79 79 VAL CB C 79 35.336 35.336 35.247 0.089 25098 4767 1 12 . 1 1 79 79 VAL H H 79 8.911 8.911 8.220 0.691 25098 4768 1 12 . 1 1 80 80 PHE N N 80 123.479 123.479 128.503 -5.024 25098 4769 1 12 . 1 1 80 80 PHE HA H 80 5.574 5.574 5.286 0.288 25098 4770 1 12 . 1 1 80 80 PHE CA C 80 53.684 53.684 55.685 -2.001 25098 4771 1 12 . 1 1 80 80 PHE CB C 80 39.905 39.905 39.535 0.370 25098 4772 1 12 . 1 1 80 80 PHE H H 80 8.628 8.628 9.607 -0.979 25098 4773 1 12 . 1 1 81 81 PRO HA H 81 4.427 4.427 4.404 0.023 25098 4774 1 12 . 1 1 81 81 PRO CA C 81 65.254 65.254 65.147 0.107 25098 4775 1 12 . 1 1 81 81 PRO CB C 81 32.319 32.319 31.567 0.752 25098 4776 1 12 . 1 1 82 82 ASP N N 82 114.119 114.119 116.791 -2.672 25098 4777 1 12 . 1 1 82 82 ASP HA H 82 4.484 4.484 4.774 -0.289 25098 4778 1 12 . 1 1 82 82 ASP CA C 82 55.569 55.569 55.469 0.100 25098 4779 1 12 . 1 1 82 82 ASP CB C 82 41.625 41.625 41.804 -0.179 25098 4780 1 12 . 1 1 82 82 ASP H H 82 8.692 8.692 8.592 0.100 25098 4781 1 12 . 1 1 83 83 PHE N N 83 113.198 113.198 118.686 -5.488 25098 4782 1 12 . 1 1 83 83 PHE HA H 83 4.618 4.618 4.753 -0.135 25098 4783 1 12 . 1 1 83 83 PHE CA C 83 57.454 57.454 58.657 -1.203 25098 4784 1 12 . 1 1 83 83 PHE CB C 83 41.445 41.445 40.835 0.610 25098 4785 1 12 . 1 1 83 83 PHE H H 83 7.434 7.434 7.849 -0.415 25098 4786 1 12 . 1 1 84 84 GLY N N 84 108.212 108.212 109.362 -1.150 25098 4787 1 12 . 1 1 84 84 GLY CA C 84 46.552 46.552 45.762 0.790 25098 4788 1 12 . 1 1 84 84 GLY H H 84 7.677 7.677 8.577 -0.900 25098 4789 1 12 . 1 1 85 85 VAL N N 85 117.875 117.875 121.642 -3.767 25098 4790 1 12 . 1 1 85 85 VAL HA H 85 4.270 4.270 4.409 -0.139 25098 4791 1 12 . 1 1 85 85 VAL CA C 85 61.664 61.664 61.877 -0.213 25098 4792 1 12 . 1 1 85 85 VAL CB C 85 34.286 34.286 33.998 0.288 25098 4793 1 12 . 1 1 85 85 VAL H H 85 7.075 7.075 7.616 -0.541 25098 4794 1 12 . 1 1 86 86 HIS N N 86 129.355 129.355 128.884 0.471 25098 4795 1 12 . 1 1 86 86 HIS HA H 86 5.204 5.204 5.573 -0.369 25098 4796 1 12 . 1 1 86 86 HIS CA C 86 55.513 55.513 54.569 0.945 25098 4797 1 12 . 1 1 86 86 HIS CB C 86 31.131 31.131 31.717 -0.586 25098 4798 1 12 . 1 1 86 86 HIS H H 86 8.921 8.921 8.845 0.076 25098 4799 1 12 . 1 1 87 87 ALA N N 87 126.717 126.717 130.209 -3.492 25098 4800 1 12 . 1 1 87 87 ALA HA H 87 4.749 4.749 4.525 0.224 25098 4801 1 12 . 1 1 87 87 ALA CA C 87 50.886 50.886 50.189 0.697 25098 4802 1 12 . 1 1 87 87 ALA CB C 87 22.088 22.088 22.949 -0.861 25098 4803 1 12 . 1 1 87 87 ALA H H 87 8.799 8.799 9.112 -0.313 25098 4804 1 12 . 1 1 88 88 ASN N N 88 119.348 119.348 118.151 1.197 25098 4805 1 12 . 1 1 88 88 ASN HA H 88 5.125 5.125 4.668 0.457 25098 4806 1 12 . 1 1 88 88 ASN CA C 88 51.796 51.796 52.164 -0.368 25098 4807 1 12 . 1 1 88 88 ASN CB C 88 39.015 39.015 39.939 -0.924 25098 4808 1 12 . 1 1 88 88 ASN H H 88 8.230 8.230 8.207 0.023 25098 4809 1 12 . 1 1 89 89 LEU N N 89 122.766 122.766 122.993 -0.227 25098 4810 1 12 . 1 1 89 89 LEU HA H 89 4.440 4.440 4.691 -0.251 25098 4811 1 12 . 1 1 89 89 LEU CA C 89 50.791 50.791 51.806 -1.016 25098 4812 1 12 . 1 1 89 89 LEU CB C 89 42.662 42.662 42.441 0.221 25098 4813 1 12 . 1 1 89 89 LEU H H 89 8.356 8.356 8.527 -0.171 25098 4814 1 12 . 1 1 90 90 PRO HA H 90 4.434 4.434 4.559 -0.125 25098 4815 1 12 . 1 1 90 90 PRO CA C 90 61.669 61.669 62.048 -0.379 25098 4816 1 12 . 1 1 91 91 MET N N 91 121.751 121.751 125.482 -3.731 25098 4817 1 12 . 1 1 91 91 MET HA H 91 4.144 4.144 4.142 0.002 25098 4818 1 12 . 1 1 91 91 MET CA C 91 55.460 55.460 55.299 0.161 25098 4819 1 12 . 1 1 91 91 MET CB C 91 30.951 30.951 32.263 -1.312 25098 4820 1 12 . 1 1 91 91 MET H H 91 8.709 8.709 8.574 0.135 25098 4821 1 12 . 1 1 92 92 GLY N N 92 112.856 112.856 114.188 -1.332 25098 4822 1 12 . 1 1 92 92 GLY CA C 92 46.265 46.265 45.068 1.197 25098 4823 1 12 . 1 1 92 92 GLY H H 92 8.325 8.325 8.690 -0.365 25098 4824 1 12 . 1 1 93 93 GLU N N 93 116.930 116.930 118.608 -1.678 25098 4825 1 12 . 1 1 93 93 GLU HA H 93 4.747 4.747 4.755 -0.008 25098 4826 1 12 . 1 1 93 93 GLU CA C 93 54.151 54.151 54.647 -0.496 25098 4827 1 12 . 1 1 93 93 GLU CB C 93 33.784 33.784 33.157 0.627 25098 4828 1 12 . 1 1 93 93 GLU H H 93 7.331 7.331 7.880 -0.549 25098 4829 1 12 . 1 1 94 94 GLU N N 94 119.837 119.837 119.311 0.526 25098 4830 1 12 . 1 1 94 94 GLU HA H 94 5.103 5.103 5.231 -0.128 25098 4831 1 12 . 1 1 94 94 GLU CA C 94 55.340 55.340 55.346 -0.006 25098 4832 1 12 . 1 1 94 94 GLU CB C 94 31.196 31.196 31.545 -0.349 25098 4833 1 12 . 1 1 94 94 GLU H H 94 8.418 8.418 8.656 -0.238 25098 4834 1 12 . 1 1 95 95 TYR N N 95 124.949 124.949 126.029 -1.080 25098 4835 1 12 . 1 1 95 95 TYR HA H 95 4.637 4.637 4.809 -0.172 25098 4836 1 12 . 1 1 95 95 TYR CA C 95 58.125 58.125 57.422 0.703 25098 4837 1 12 . 1 1 95 95 TYR CB C 95 43.144 43.144 41.989 1.155 25098 4838 1 12 . 1 1 95 95 TYR H H 95 9.059 9.059 9.228 -0.169 25098 4839 1 12 . 1 1 96 96 VAL N N 96 128.075 128.075 126.204 1.871 25098 4840 1 12 . 1 1 96 96 VAL HA H 96 4.440 4.440 4.985 -0.545 25098 4841 1 12 . 1 1 96 96 VAL CA C 96 61.772 61.772 60.166 1.606 25098 4842 1 12 . 1 1 96 96 VAL CB C 96 32.805 32.805 34.264 -1.459 25098 4843 1 12 . 1 1 96 96 VAL H H 96 7.795 7.795 8.215 -0.420 25098 4844 1 12 . 1 1 97 97 VAL N N 97 129.541 129.541 129.536 0.005 25098 4845 1 12 . 1 1 97 97 VAL HA H 97 3.917 3.917 4.279 -0.362 25098 4846 1 12 . 1 1 97 97 VAL CA C 97 61.821 61.821 60.848 0.973 25098 4847 1 12 . 1 1 97 97 VAL CB C 97 33.313 33.313 32.892 0.421 25098 4848 1 12 . 1 1 97 97 VAL H H 97 9.110 9.110 8.923 0.187 25098 4849 1 12 . 1 1 98 98 GLU N N 98 127.575 127.575 129.018 -1.443 25098 4850 1 12 . 1 1 98 98 GLU HA H 98 5.237 5.237 4.838 0.399 25098 4851 1 12 . 1 1 98 98 GLU CA C 98 54.576 54.576 56.182 -1.606 25098 4852 1 12 . 1 1 98 98 GLU CB C 98 30.995 30.995 30.419 0.576 25098 4853 1 12 . 1 1 98 98 GLU H H 98 8.166 8.166 8.699 -0.533 25098 4854 1 12 . 1 1 99 99 ILE N N 99 118.374 118.374 121.956 -3.582 25098 4855 1 12 . 1 1 99 99 ILE HA H 99 4.386 4.386 4.566 -0.180 25098 4856 1 12 . 1 1 99 99 ILE CA C 99 59.143 59.143 58.834 0.309 25098 4857 1 12 . 1 1 99 99 ILE CB C 99 43.580 43.580 41.853 1.726 25098 4858 1 12 . 1 1 99 99 ILE H H 99 7.881 7.881 8.870 -0.989 25098 4859 1 12 . 1 1 100 100 THR N N 100 119.619 119.619 117.484 2.135 25098 4860 1 12 . 1 1 100 100 THR HA H 100 4.717 4.717 4.855 -0.138 25098 4861 1 12 . 1 1 100 100 THR CA C 100 58.983 58.983 59.166 -0.183 25098 4862 1 12 . 1 1 100 100 THR CB C 100 69.121 69.121 69.064 0.057 25098 4863 1 12 . 1 1 100 100 THR H H 100 8.885 8.885 8.379 0.506 25098 4864 1 12 . 1 1 101 101 PRO HA H 101 4.620 4.620 4.646 -0.026 25098 4865 1 12 . 1 1 101 101 PRO CA C 101 62.096 62.096 62.867 -0.771 25098 4866 1 12 . 1 1 101 101 PRO CB C 101 32.296 32.296 31.951 0.345 25098 4867 1 12 . 1 1 102 102 GLU N N 102 124.589 124.589 124.440 0.149 25098 4868 1 12 . 1 1 102 102 GLU HA H 102 4.379 4.379 4.327 0.052 25098 4869 1 12 . 1 1 102 102 GLU CA C 102 56.649 56.649 57.737 -1.088 25098 4870 1 12 . 1 1 102 102 GLU CB C 102 30.740 30.740 30.527 0.212 25098 4871 1 12 . 1 1 102 102 GLU H H 102 8.574 8.574 8.334 0.240 25098 4872 1 12 . 1 1 103 103 GLN N N 103 118.304 118.304 117.219 1.085 25098 4873 1 12 . 1 1 103 103 GLN HA H 103 4.662 4.662 4.595 0.067 25098 4874 1 12 . 1 1 103 103 GLN CA C 103 53.956 53.956 54.760 -0.804 25098 4875 1 12 . 1 1 103 103 GLN CB C 103 31.762 31.762 31.608 0.154 25098 4876 1 12 . 1 1 103 103 GLN H H 103 8.518 8.518 7.712 0.806 25098 4877 1 12 . 1 1 104 104 ALA N N 104 124.603 124.603 126.571 -1.968 25098 4878 1 12 . 1 1 104 104 ALA HA H 104 4.195 4.195 4.602 -0.407 25098 4879 1 12 . 1 1 104 104 ALA CA C 104 51.886 51.886 52.016 -0.130 25098 4880 1 12 . 1 1 104 104 ALA CB C 104 19.377 19.377 19.297 0.080 25098 4881 1 12 . 1 1 104 104 ALA H H 104 8.575 8.575 8.510 0.065 25098 4882 1 12 . 1 1 105 105 GLY N N 105 108.486 108.486 111.957 -3.471 25098 4883 1 12 . 1 1 105 105 GLY CA C 105 44.726 44.726 45.395 -0.669 25098 4884 1 12 . 1 1 105 105 GLY H H 105 8.710 8.710 8.096 0.614 25098 4885 1 12 . 1 1 106 106 GLU N N 106 118.462 118.462 120.530 -2.068 25098 4886 1 12 . 1 1 106 106 GLU HA H 106 5.098 5.098 5.284 -0.186 25098 4887 1 12 . 1 1 106 106 GLU CA C 106 54.382 54.382 55.799 -1.417 25098 4888 1 12 . 1 1 106 106 GLU CB C 106 31.878 31.878 31.230 0.648 25098 4889 1 12 . 1 1 106 106 GLU H H 106 7.620 7.620 8.214 -0.594 25098 4890 1 12 . 1 1 107 107 PHE N N 107 123.388 123.388 125.048 -1.660 25098 4891 1 12 . 1 1 107 107 PHE HA H 107 4.999 4.999 5.240 -0.241 25098 4892 1 12 . 1 1 107 107 PHE CA C 107 56.623 56.623 56.629 -0.006 25098 4893 1 12 . 1 1 107 107 PHE CB C 107 43.035 43.035 43.256 -0.221 25098 4894 1 12 . 1 1 107 107 PHE H H 107 9.381 9.381 9.550 -0.169 25098 4895 1 12 . 1 1 108 108 SER N N 108 117.621 117.621 114.877 2.744 25098 4896 1 12 . 1 1 108 108 SER HA H 108 5.137 5.137 5.261 -0.124 25098 4897 1 12 . 1 1 108 108 SER CA C 108 58.465 58.465 57.377 1.088 25098 4898 1 12 . 1 1 108 108 SER CB C 108 65.864 65.864 66.428 -0.564 25098 4899 1 12 . 1 1 108 108 SER H H 108 8.846 8.846 9.193 -0.347 25098 4900 1 12 . 1 1 109 109 PHE N N 109 116.119 116.119 115.164 0.955 25098 4901 1 12 . 1 1 109 109 PHE HA H 109 5.154 5.154 4.844 0.310 25098 4902 1 12 . 1 1 109 109 PHE CA C 109 55.800 55.800 56.523 -0.723 25098 4903 1 12 . 1 1 109 109 PHE CB C 109 39.858 39.858 40.885 -1.027 25098 4904 1 12 . 1 1 109 109 PHE H H 109 7.646 7.646 8.318 -0.672 25098 4905 1 12 . 1 1 110 110 ALA N N 110 121.615 121.615 124.388 -2.773 25098 4906 1 12 . 1 1 110 110 ALA HA H 110 5.258 5.258 5.003 0.255 25098 4907 1 12 . 1 1 110 110 ALA CA C 110 50.940 50.940 52.024 -1.084 25098 4908 1 12 . 1 1 110 110 ALA CB C 110 24.724 24.724 22.216 2.508 25098 4909 1 12 . 1 1 110 110 ALA H H 110 8.826 8.826 7.931 0.895 25098 4910 1 12 . 1 1 111 111 CYS N N 111 114.162 114.162 117.395 -3.233 25098 4911 1 12 . 1 1 111 111 CYS HA H 111 5.372 5.372 4.764 0.608 25098 4912 1 12 . 1 1 111 111 CYS CA C 111 55.651 55.651 58.154 -2.503 25098 4913 1 12 . 1 1 111 111 CYS CB C 111 33.551 33.551 30.314 3.237 25098 4914 1 12 . 1 1 111 111 CYS H H 111 7.820 7.820 8.580 -0.760 25098 4915 1 12 . 1 1 112 112 GLY N N 112 108.348 108.348 114.583 -6.235 25098 4916 1 12 . 1 1 112 112 GLY H H 112 8.277 8.277 8.568 -0.291 25098 4917 1 12 . 1 1 117 117 HIS N N 117 117.324 117.324 119.111 -1.787 25098 4918 1 12 . 1 1 117 117 HIS HA H 117 4.540 4.540 4.754 -0.214 25098 4919 1 12 . 1 1 117 117 HIS CA C 117 56.897 56.897 56.045 0.851 25098 4920 1 12 . 1 1 117 117 HIS CB C 117 29.675 29.675 31.429 -1.754 25098 4921 1 12 . 1 1 117 117 HIS H H 117 8.670 8.670 8.679 -0.009 25098 4922 1 12 . 1 1 118 118 GLY N N 118 109.716 109.716 110.764 -1.048 25098 4923 1 12 . 1 1 118 118 GLY CA C 118 43.143 43.143 44.505 -1.362 25098 4924 1 12 . 1 1 118 118 GLY H H 118 8.350 8.350 8.072 0.278 25098 4925 1 12 . 1 1 119 119 LYS N N 119 120.631 120.631 125.885 -5.254 25098 4926 1 12 . 1 1 119 119 LYS HA H 119 4.949 4.949 5.115 -0.166 25098 4927 1 12 . 1 1 119 119 LYS CA C 119 55.192 55.192 54.387 0.805 25098 4928 1 12 . 1 1 119 119 LYS CB C 119 36.931 36.931 37.133 -0.202 25098 4929 1 12 . 1 1 119 119 LYS H H 119 8.561 8.561 9.040 -0.479 25098 4930 1 12 . 1 1 120 120 MET N N 120 123.525 123.525 123.673 -0.148 25098 4931 1 12 . 1 1 120 120 MET HA H 120 5.565 5.565 5.377 0.188 25098 4932 1 12 . 1 1 120 120 MET CA C 120 53.142 53.142 54.565 -1.423 25098 4933 1 12 . 1 1 120 120 MET CB C 120 37.448 37.448 37.644 -0.195 25098 4934 1 12 . 1 1 120 120 MET H H 120 9.329 9.329 9.221 0.108 25098 4935 1 12 . 1 1 121 121 ILE N N 121 127.707 127.707 126.270 1.437 25098 4936 1 12 . 1 1 121 121 ILE HA H 121 4.890 4.890 5.039 -0.149 25098 4937 1 12 . 1 1 121 121 ILE CA C 121 60.048 60.048 60.441 -0.393 25098 4938 1 12 . 1 1 121 121 ILE CB C 121 39.806 39.806 40.457 -0.651 25098 4939 1 12 . 1 1 121 121 ILE H H 121 9.471 9.471 9.376 0.095 25098 4940 1 12 . 1 1 122 122 VAL N N 122 127.738 127.738 128.526 -0.788 25098 4941 1 12 . 1 1 122 122 VAL HA H 122 4.994 4.994 4.869 0.125 25098 4942 1 12 . 1 1 122 122 VAL CA C 122 60.618 60.618 61.754 -1.136 25098 4943 1 12 . 1 1 122 122 VAL CB C 122 33.297 33.297 32.827 0.470 25098 4944 1 12 . 1 1 122 122 VAL H H 122 9.350 9.350 9.105 0.245 25098 4945 1 13 . 1 1 28 28 MET N N 28 119.966 119.966 114.879 5.087 25098 4946 1 13 . 1 1 28 28 MET H H 28 8.438 8.438 7.744 0.694 25098 4947 1 13 . 1 1 29 29 GLY N N 29 109.326 109.326 106.841 2.485 25098 4948 1 13 . 1 1 29 29 GLY CA C 29 44.803 44.803 44.176 0.627 25098 4949 1 13 . 1 1 29 29 GLY H H 29 8.343 8.343 7.792 0.551 25098 4950 1 13 . 1 1 30 30 GLN N N 30 121.171 121.171 118.532 2.639 25098 4951 1 13 . 1 1 30 30 GLN HA H 30 4.548 4.548 4.710 -0.162 25098 4952 1 13 . 1 1 30 30 GLN CA C 30 54.981 54.981 54.214 0.767 25098 4953 1 13 . 1 1 30 30 GLN CB C 30 30.824 30.824 32.941 -2.117 25098 4954 1 13 . 1 1 30 30 GLN H H 30 8.174 8.174 8.829 -0.655 25098 4955 1 13 . 1 1 31 31 LYS N N 31 125.160 125.160 124.910 0.250 25098 4956 1 13 . 1 1 31 31 LYS HA H 31 4.829 4.829 4.366 0.463 25098 4957 1 13 . 1 1 31 31 LYS CA C 31 55.952 55.952 56.131 -0.179 25098 4958 1 13 . 1 1 31 31 LYS CB C 31 33.322 33.322 33.101 0.221 25098 4959 1 13 . 1 1 31 31 LYS H H 31 8.713 8.713 8.742 -0.029 25098 4960 1 13 . 1 1 32 32 ALA N N 32 123.842 123.842 129.249 -5.407 25098 4961 1 13 . 1 1 32 32 ALA HA H 32 4.125 4.125 4.240 -0.115 25098 4962 1 13 . 1 1 32 32 ALA CA C 32 52.301 52.301 51.994 0.307 25098 4963 1 13 . 1 1 32 32 ALA CB C 32 18.956 18.956 20.018 -1.062 25098 4964 1 13 . 1 1 32 32 ALA H H 32 8.152 8.152 8.157 -0.005 25098 4965 1 13 . 1 1 33 33 GLN N N 33 121.807 121.807 120.577 1.230 25098 4966 1 13 . 1 1 33 33 GLN HA H 33 4.380 4.380 4.318 0.062 25098 4967 1 13 . 1 1 33 33 GLN CA C 33 55.299 55.299 55.286 0.013 25098 4968 1 13 . 1 1 33 33 GLN CB C 33 29.835 29.835 29.582 0.252 25098 4969 1 13 . 1 1 33 33 GLN H H 33 8.808 8.808 8.468 0.340 25098 4970 1 13 . 1 1 34 34 GLN N N 34 124.320 124.320 124.288 0.032 25098 4971 1 13 . 1 1 34 34 GLN HA H 34 4.212 4.212 4.347 -0.135 25098 4972 1 13 . 1 1 34 34 GLN CA C 34 55.368 55.368 55.733 -0.365 25098 4973 1 13 . 1 1 34 34 GLN CB C 34 27.615 27.615 29.088 -1.473 25098 4974 1 13 . 1 1 34 34 GLN H H 34 9.025 9.025 8.491 0.534 25098 4975 1 13 . 1 1 35 35 LYS N N 35 126.662 126.662 123.605 3.057 25098 4976 1 13 . 1 1 35 35 LYS HA H 35 4.441 4.441 4.215 0.226 25098 4977 1 13 . 1 1 35 35 LYS CA C 35 54.126 54.126 54.394 -0.268 25098 4978 1 13 . 1 1 35 35 LYS CB C 35 31.475 31.475 32.563 -1.088 25098 4979 1 13 . 1 1 35 35 LYS H H 35 8.479 8.479 8.491 -0.012 25098 4980 1 13 . 1 1 36 36 ASN N N 36 118.026 118.026 119.382 -1.356 25098 4981 1 13 . 1 1 36 36 ASN HA H 36 4.611 4.611 4.551 0.060 25098 4982 1 13 . 1 1 36 36 ASN CA C 36 53.478 53.478 53.218 0.260 25098 4983 1 13 . 1 1 36 36 ASN CB C 36 36.839 36.839 36.509 0.330 25098 4984 1 13 . 1 1 36 36 ASN H H 36 8.062 8.062 8.147 -0.085 25098 4985 1 13 . 1 1 37 37 GLY N N 37 111.719 111.719 109.034 2.685 25098 4986 1 13 . 1 1 37 37 GLY CA C 37 45.230 45.230 45.612 -0.382 25098 4987 1 13 . 1 1 37 37 GLY H H 37 8.285 8.285 8.089 0.196 25098 4988 1 13 . 1 1 38 38 TYR N N 38 114.733 114.733 114.277 0.456 25098 4989 1 13 . 1 1 38 38 TYR HA H 38 5.107 5.107 5.263 -0.156 25098 4990 1 13 . 1 1 38 38 TYR CA C 38 55.398 55.398 55.289 0.109 25098 4991 1 13 . 1 1 38 38 TYR CB C 38 39.246 39.246 40.260 -1.014 25098 4992 1 13 . 1 1 38 38 TYR H H 38 7.158 7.158 7.179 -0.021 25098 4993 1 13 . 1 1 39 39 GLN N N 39 117.964 117.964 117.560 0.404 25098 4994 1 13 . 1 1 39 39 GLN HA H 39 5.472 5.472 5.083 0.389 25098 4995 1 13 . 1 1 39 39 GLN CA C 39 52.396 52.396 53.853 -1.457 25098 4996 1 13 . 1 1 39 39 GLN CB C 39 30.812 30.812 32.498 -1.685 25098 4997 1 13 . 1 1 39 39 GLN H H 39 9.401 9.401 8.940 0.461 25098 4998 1 13 . 1 1 40 40 GLU N N 40 123.527 123.527 120.954 2.573 25098 4999 1 13 . 1 1 40 40 GLU HA H 40 5.809 5.809 5.565 0.244 25098 5000 1 13 . 1 1 40 40 GLU CA C 40 54.574 54.574 54.823 -0.249 25098 5001 1 13 . 1 1 40 40 GLU CB C 40 35.999 35.999 34.436 1.563 25098 5002 1 13 . 1 1 40 40 GLU H H 40 9.027 9.027 8.843 0.184 25098 5003 1 13 . 1 1 41 41 ILE N N 41 124.884 124.884 122.546 2.338 25098 5004 1 13 . 1 1 41 41 ILE HA H 41 4.686 4.686 4.497 0.189 25098 5005 1 13 . 1 1 41 41 ILE CA C 41 59.126 59.126 60.487 -1.361 25098 5006 1 13 . 1 1 41 41 ILE CB C 41 42.658 42.658 42.126 0.532 25098 5007 1 13 . 1 1 41 41 ILE H H 41 8.503 8.503 8.174 0.329 25098 5008 1 13 . 1 1 42 42 ARG N N 42 127.316 127.316 129.306 -1.990 25098 5009 1 13 . 1 1 42 42 ARG HA H 42 5.136 5.136 4.599 0.537 25098 5010 1 13 . 1 1 42 42 ARG CA C 42 54.461 54.461 55.739 -1.278 25098 5011 1 13 . 1 1 42 42 ARG CB C 42 32.141 32.141 30.526 1.615 25098 5012 1 13 . 1 1 42 42 ARG H H 42 7.942 7.942 8.629 -0.687 25098 5013 1 13 . 1 1 43 43 VAL N N 43 126.060 126.060 128.536 -2.476 25098 5014 1 13 . 1 1 43 43 VAL HA H 43 4.357 4.357 4.201 0.156 25098 5015 1 13 . 1 1 43 43 VAL CA C 43 61.020 61.020 61.681 -0.661 25098 5016 1 13 . 1 1 43 43 VAL CB C 43 34.375 34.375 32.549 1.826 25098 5017 1 13 . 1 1 43 43 VAL H H 43 9.158 9.158 9.002 0.156 25098 5018 1 13 . 1 1 44 44 GLU N N 44 127.592 127.592 129.265 -1.673 25098 5019 1 13 . 1 1 44 44 GLU HA H 44 4.782 4.782 4.320 0.462 25098 5020 1 13 . 1 1 44 44 GLU CA C 44 55.944 55.944 56.955 -1.011 25098 5021 1 13 . 1 1 44 44 GLU CB C 44 31.779 31.779 30.249 1.530 25098 5022 1 13 . 1 1 44 44 GLU H H 44 9.086 9.086 8.964 0.122 25098 5023 1 13 . 1 1 45 45 VAL N N 45 126.323 126.323 127.354 -1.031 25098 5024 1 13 . 1 1 45 45 VAL HA H 45 4.910 4.910 4.752 0.158 25098 5025 1 13 . 1 1 45 45 VAL CA C 45 61.122 61.122 61.389 -0.267 25098 5026 1 13 . 1 1 45 45 VAL CB C 45 31.501 31.501 31.710 -0.210 25098 5027 1 13 . 1 1 45 45 VAL H H 45 8.617 8.617 9.035 -0.418 25098 5028 1 13 . 1 1 46 46 MET N N 46 127.658 127.658 124.321 3.337 25098 5029 1 13 . 1 1 46 46 MET HA H 46 4.755 4.755 4.803 -0.048 25098 5030 1 13 . 1 1 46 46 MET CA C 46 55.999 55.999 54.404 1.595 25098 5031 1 13 . 1 1 46 46 MET CB C 46 32.530 32.530 33.072 -0.542 25098 5032 1 13 . 1 1 46 46 MET H H 46 8.319 8.319 7.925 0.394 25098 5033 1 13 . 1 1 47 47 GLY N N 47 119.231 119.231 107.912 11.319 25098 5034 1 13 . 1 1 47 47 GLY CA C 47 46.863 46.863 45.614 1.249 25098 5035 1 13 . 1 1 47 47 GLY H H 47 10.065 10.065 8.367 1.698 25098 5036 1 13 . 1 1 48 48 GLY N N 48 102.924 102.924 106.549 -3.625 25098 5037 1 13 . 1 1 48 48 GLY CA C 48 43.176 43.176 44.545 -1.369 25098 5038 1 13 . 1 1 48 48 GLY H H 48 6.639 6.639 7.609 -0.970 25098 5039 1 13 . 1 1 49 49 TYR N N 49 120.115 120.115 118.836 1.279 25098 5040 1 13 . 1 1 49 49 TYR HA H 49 5.267 5.267 5.434 -0.167 25098 5041 1 13 . 1 1 49 49 TYR CA C 49 56.991 56.991 56.842 0.149 25098 5042 1 13 . 1 1 49 49 TYR CB C 49 40.490 40.490 40.231 0.259 25098 5043 1 13 . 1 1 49 49 TYR H H 49 8.364 8.364 8.284 0.080 25098 5044 1 13 . 1 1 50 50 THR N N 50 117.545 117.545 118.533 -0.988 25098 5045 1 13 . 1 1 50 50 THR HA H 50 4.742 4.742 4.374 0.368 25098 5046 1 13 . 1 1 50 50 THR CA C 50 59.224 59.224 65.365 -6.141 25098 5047 1 13 . 1 1 50 50 THR CB C 50 71.576 71.576 68.110 3.466 25098 5048 1 13 . 1 1 50 50 THR H H 50 8.574 8.574 8.385 0.189 25098 5049 1 13 . 1 1 51 51 PRO HA H 51 4.928 4.928 4.540 0.388 25098 5050 1 13 . 1 1 51 51 PRO CA C 51 63.206 63.206 63.006 0.200 25098 5051 1 13 . 1 1 51 51 PRO CB C 51 34.946 34.946 30.960 3.986 25098 5052 1 13 . 1 1 52 52 GLU N N 52 114.661 114.661 121.475 -6.814 25098 5053 1 13 . 1 1 52 52 GLU HA H 52 4.468 4.468 4.047 0.421 25098 5054 1 13 . 1 1 52 52 GLU CA C 52 55.828 55.828 58.889 -3.061 25098 5055 1 13 . 1 1 52 52 GLU CB C 52 30.239 30.239 29.943 0.296 25098 5056 1 13 . 1 1 52 52 GLU H H 52 8.351 8.351 8.450 -0.099 25098 5057 1 13 . 1 1 53 53 LEU N N 53 123.273 123.273 116.117 7.156 25098 5058 1 13 . 1 1 53 53 LEU HA H 53 5.504 5.504 5.533 -0.029 25098 5059 1 13 . 1 1 53 53 LEU CA C 53 54.005 54.005 52.500 1.505 25098 5060 1 13 . 1 1 53 53 LEU CB C 53 44.276 44.276 44.117 0.159 25098 5061 1 13 . 1 1 53 53 LEU H H 53 7.476 7.476 7.501 -0.025 25098 5062 1 13 . 1 1 54 54 ILE N N 54 121.159 121.159 119.997 1.162 25098 5063 1 13 . 1 1 54 54 ILE HA H 54 5.238 5.238 5.238 0.000 25098 5064 1 13 . 1 1 54 54 ILE CA C 54 59.006 59.006 59.347 -0.341 25098 5065 1 13 . 1 1 54 54 ILE CB C 54 41.979 41.979 39.010 2.969 25098 5066 1 13 . 1 1 54 54 ILE H H 54 8.732 8.732 9.279 -0.547 25098 5067 1 13 . 1 1 55 55 VAL N N 55 123.295 123.295 126.614 -3.319 25098 5068 1 13 . 1 1 55 55 VAL HA H 55 5.138 5.138 4.960 0.178 25098 5069 1 13 . 1 1 55 55 VAL CA C 55 61.216 61.216 61.971 -0.755 25098 5070 1 13 . 1 1 55 55 VAL CB C 55 33.376 33.376 32.377 0.999 25098 5071 1 13 . 1 1 55 55 VAL H H 55 8.456 8.456 8.837 -0.381 25098 5072 1 13 . 1 1 56 56 LEU N N 56 129.681 129.681 127.515 2.166 25098 5073 1 13 . 1 1 56 56 LEU HA H 56 4.637 4.637 4.773 -0.136 25098 5074 1 13 . 1 1 56 56 LEU CA C 56 53.044 53.044 53.436 -0.392 25098 5075 1 13 . 1 1 56 56 LEU CB C 56 45.712 45.712 45.925 -0.213 25098 5076 1 13 . 1 1 56 56 LEU H H 56 9.646 9.646 9.203 0.443 25098 5077 1 13 . 1 1 57 57 LYS N N 57 121.874 121.874 120.189 1.685 25098 5078 1 13 . 1 1 57 57 LYS HA H 57 4.815 4.815 4.504 0.311 25098 5079 1 13 . 1 1 57 57 LYS CA C 57 55.095 55.095 55.312 -0.217 25098 5080 1 13 . 1 1 57 57 LYS CB C 57 33.701 33.701 33.827 -0.126 25098 5081 1 13 . 1 1 57 57 LYS H H 57 9.619 9.619 8.301 1.318 25098 5082 1 13 . 1 1 58 58 LYS N N 58 124.865 124.865 120.968 3.897 25098 5083 1 13 . 1 1 58 58 LYS HA H 58 3.714 3.714 4.518 -0.804 25098 5084 1 13 . 1 1 58 58 LYS CA C 58 57.532 57.532 55.611 1.921 25098 5085 1 13 . 1 1 58 58 LYS CB C 58 33.246 33.246 33.824 -0.578 25098 5086 1 13 . 1 1 58 58 LYS H H 58 8.793 8.793 8.132 0.661 25098 5087 1 13 . 1 1 59 59 SER N N 59 113.482 113.482 118.164 -4.682 25098 5088 1 13 . 1 1 59 59 SER HA H 59 4.084 4.084 4.077 0.007 25098 5089 1 13 . 1 1 59 59 SER CA C 59 61.005 61.005 59.866 1.139 25098 5090 1 13 . 1 1 59 59 SER CB C 59 60.917 60.917 62.700 -1.783 25098 5091 1 13 . 1 1 59 59 SER H H 59 8.946 8.946 9.113 -0.167 25098 5092 1 13 . 1 1 60 60 VAL N N 60 123.081 123.081 121.714 1.367 25098 5093 1 13 . 1 1 60 60 VAL HA H 60 4.448 4.448 4.603 -0.155 25098 5094 1 13 . 1 1 60 60 VAL CA C 60 59.101 59.101 58.480 0.621 25098 5095 1 13 . 1 1 60 60 VAL CB C 60 33.818 33.818 35.123 -1.305 25098 5096 1 13 . 1 1 60 60 VAL H H 60 6.974 6.974 7.629 -0.655 25098 5097 1 13 . 1 1 61 61 PRO HA H 61 4.405 4.405 4.590 -0.185 25098 5098 1 13 . 1 1 61 61 PRO CA C 61 64.752 64.752 62.987 1.765 25098 5099 1 13 . 1 1 61 61 PRO CB C 61 32.273 32.273 31.156 1.117 25098 5100 1 13 . 1 1 62 62 ALA N N 62 124.881 124.881 126.592 -1.711 25098 5101 1 13 . 1 1 62 62 ALA HA H 62 5.452 5.452 5.275 0.177 25098 5102 1 13 . 1 1 62 62 ALA CA C 62 49.746 49.746 50.220 -0.474 25098 5103 1 13 . 1 1 62 62 ALA CB C 62 22.483 22.483 22.747 -0.265 25098 5104 1 13 . 1 1 62 62 ALA H H 62 9.244 9.244 9.141 0.103 25098 5105 1 13 . 1 1 63 63 ARG N N 63 122.869 122.869 122.286 0.583 25098 5106 1 13 . 1 1 63 63 ARG HA H 63 4.498 4.498 5.427 -0.929 25098 5107 1 13 . 1 1 63 63 ARG CA C 63 55.022 55.022 53.539 1.483 25098 5108 1 13 . 1 1 63 63 ARG CB C 63 31.637 31.637 32.840 -1.203 25098 5109 1 13 . 1 1 63 63 ARG H H 63 8.858 8.858 9.063 -0.205 25098 5110 1 13 . 1 1 64 64 ILE N N 64 125.797 125.797 125.269 0.528 25098 5111 1 13 . 1 1 64 64 ILE HA H 64 4.367 4.367 4.330 0.037 25098 5112 1 13 . 1 1 64 64 ILE CA C 64 60.028 60.028 58.478 1.550 25098 5113 1 13 . 1 1 64 64 ILE CB C 64 37.499 37.499 37.232 0.267 25098 5114 1 13 . 1 1 64 64 ILE H H 64 9.033 9.033 8.827 0.206 25098 5115 1 13 . 1 1 65 65 VAL N N 65 127.998 127.998 128.082 -0.084 25098 5116 1 13 . 1 1 65 65 VAL HA H 65 4.122 4.122 4.162 -0.040 25098 5117 1 13 . 1 1 65 65 VAL CA C 65 61.697 61.697 61.820 -0.123 25098 5118 1 13 . 1 1 65 65 VAL CB C 65 32.480 32.480 31.441 1.039 25098 5119 1 13 . 1 1 65 65 VAL H H 65 8.800 8.800 8.851 -0.051 25098 5120 1 13 . 1 1 66 66 PHE N N 66 126.431 126.431 128.677 -2.246 25098 5121 1 13 . 1 1 66 66 PHE HA H 66 5.190 5.190 5.195 -0.005 25098 5122 1 13 . 1 1 66 66 PHE CA C 66 58.012 58.012 56.763 1.249 25098 5123 1 13 . 1 1 66 66 PHE CB C 66 41.731 41.731 40.119 1.612 25098 5124 1 13 . 1 1 66 66 PHE H H 66 9.536 9.536 9.430 0.106 25098 5125 1 13 . 1 1 67 67 ASP N N 67 123.469 123.469 125.216 -1.747 25098 5126 1 13 . 1 1 67 67 ASP HA H 67 4.986 4.986 4.997 -0.011 25098 5127 1 13 . 1 1 67 67 ASP CA C 67 52.158 52.158 53.209 -1.051 25098 5128 1 13 . 1 1 67 67 ASP CB C 67 42.083 42.083 42.524 -0.441 25098 5129 1 13 . 1 1 67 67 ASP H H 67 8.806 8.806 9.083 -0.277 25098 5130 1 13 . 1 1 68 68 ARG N N 68 124.864 124.864 128.775 -3.911 25098 5131 1 13 . 1 1 68 68 ARG HA H 68 4.760 4.760 4.368 0.392 25098 5132 1 13 . 1 1 68 68 ARG CA C 68 58.018 58.018 56.464 1.554 25098 5133 1 13 . 1 1 68 68 ARG CB C 68 30.605 30.605 30.155 0.450 25098 5134 1 13 . 1 1 68 68 ARG H H 68 8.598 8.598 8.193 0.405 25098 5135 1 13 . 1 1 69 69 LYS N N 69 126.910 126.910 127.175 -0.265 25098 5136 1 13 . 1 1 69 69 LYS HA H 69 4.662 4.662 4.447 0.215 25098 5137 1 13 . 1 1 69 69 LYS CA C 69 55.222 55.222 56.720 -1.498 25098 5138 1 13 . 1 1 69 69 LYS CB C 69 34.788 34.788 33.887 0.901 25098 5139 1 13 . 1 1 69 69 LYS H H 69 8.348 8.348 8.814 -0.466 25098 5140 1 13 . 1 1 70 70 ASP N N 70 119.420 119.420 119.735 -0.315 25098 5141 1 13 . 1 1 70 70 ASP HA H 70 5.085 5.085 4.959 0.126 25098 5142 1 13 . 1 1 70 70 ASP CA C 70 49.872 49.872 51.112 -1.240 25098 5143 1 13 . 1 1 70 70 ASP CB C 70 45.194 45.194 42.964 2.231 25098 5144 1 13 . 1 1 70 70 ASP H H 70 6.675 6.675 7.870 -1.195 25098 5145 1 13 . 1 1 71 71 PRO HA H 71 4.589 4.589 4.536 0.053 25098 5146 1 13 . 1 1 71 71 PRO CA C 71 63.781 63.781 62.522 1.259 25098 5147 1 13 . 1 1 72 72 SER N N 72 121.578 121.578 118.575 3.003 25098 5148 1 13 . 1 1 72 72 SER HA H 72 4.462 4.462 4.518 -0.056 25098 5149 1 13 . 1 1 72 72 SER CA C 72 57.029 57.029 56.588 0.441 25098 5150 1 13 . 1 1 72 72 SER CB C 72 63.781 63.781 62.764 1.017 25098 5151 1 13 . 1 1 72 72 SER H H 72 8.624 8.624 7.705 0.919 25098 5152 1 13 . 1 1 73 73 PRO HA H 73 4.348 4.348 4.373 -0.025 25098 5153 1 13 . 1 1 73 73 PRO CA C 73 64.297 64.297 65.215 -0.918 25098 5154 1 13 . 1 1 74 74 CYS N N 74 114.456 114.456 113.114 1.342 25098 5155 1 13 . 1 1 74 74 CYS HA H 74 4.320 4.320 4.372 -0.052 25098 5156 1 13 . 1 1 74 74 CYS CA C 74 60.192 60.192 58.604 1.588 25098 5157 1 13 . 1 1 74 74 CYS CB C 74 27.035 27.035 25.872 1.163 25098 5158 1 13 . 1 1 74 74 CYS H H 74 8.010 8.010 8.183 -0.173 25098 5159 1 13 . 1 1 75 75 LEU N N 75 120.476 120.476 118.021 2.455 25098 5160 1 13 . 1 1 75 75 LEU HA H 75 4.546 4.546 4.449 0.096 25098 5161 1 13 . 1 1 75 75 LEU CA C 75 53.987 53.987 54.010 -0.023 25098 5162 1 13 . 1 1 75 75 LEU CB C 75 41.083 41.083 42.454 -1.371 25098 5163 1 13 . 1 1 75 75 LEU H H 75 7.629 7.629 7.356 0.273 25098 5164 1 13 . 1 1 76 76 ASP N N 76 117.861 117.861 118.906 -1.045 25098 5165 1 13 . 1 1 76 76 ASP HA H 76 4.466 4.466 4.379 0.087 25098 5166 1 13 . 1 1 76 76 ASP CB C 76 41.608 41.608 42.155 -0.547 25098 5167 1 13 . 1 1 76 76 ASP H H 76 7.465 7.465 7.431 0.034 25098 5168 1 13 . 1 1 77 77 GLN HA H 77 5.368 5.368 4.666 0.702 25098 5169 1 13 . 1 1 77 77 GLN CA C 77 53.830 53.830 54.366 -0.536 25098 5170 1 13 . 1 1 77 77 GLN CB C 77 33.290 33.290 33.142 0.149 25098 5171 1 13 . 1 1 78 78 ILE N N 78 123.134 123.134 121.003 2.131 25098 5172 1 13 . 1 1 78 78 ILE HA H 78 4.893 4.893 4.409 0.484 25098 5173 1 13 . 1 1 78 78 ILE CA C 78 56.862 56.862 60.101 -3.239 25098 5174 1 13 . 1 1 78 78 ILE CB C 78 42.611 42.611 41.626 0.985 25098 5175 1 13 . 1 1 78 78 ILE H H 78 9.043 9.043 8.940 0.103 25098 5176 1 13 . 1 1 79 79 VAL N N 79 125.068 125.068 128.566 -3.498 25098 5177 1 13 . 1 1 79 79 VAL HA H 79 4.911 4.911 5.380 -0.469 25098 5178 1 13 . 1 1 79 79 VAL CB C 79 35.336 35.336 35.013 0.323 25098 5179 1 13 . 1 1 79 79 VAL H H 79 8.911 8.911 8.188 0.723 25098 5180 1 13 . 1 1 80 80 PHE N N 80 123.479 123.479 128.008 -4.529 25098 5181 1 13 . 1 1 80 80 PHE HA H 80 5.574 5.574 5.261 0.313 25098 5182 1 13 . 1 1 80 80 PHE CA C 80 53.684 53.684 55.786 -2.102 25098 5183 1 13 . 1 1 80 80 PHE CB C 80 39.905 39.905 39.365 0.540 25098 5184 1 13 . 1 1 80 80 PHE H H 80 8.628 8.628 9.569 -0.941 25098 5185 1 13 . 1 1 81 81 PRO HA H 81 4.427 4.427 4.398 0.029 25098 5186 1 13 . 1 1 81 81 PRO CA C 81 65.254 65.254 65.135 0.119 25098 5187 1 13 . 1 1 81 81 PRO CB C 81 32.319 32.319 31.540 0.779 25098 5188 1 13 . 1 1 82 82 ASP N N 82 114.119 114.119 116.750 -2.631 25098 5189 1 13 . 1 1 82 82 ASP HA H 82 4.484 4.484 4.759 -0.275 25098 5190 1 13 . 1 1 82 82 ASP CA C 82 55.569 55.569 55.451 0.118 25098 5191 1 13 . 1 1 82 82 ASP CB C 82 41.625 41.625 41.800 -0.175 25098 5192 1 13 . 1 1 82 82 ASP H H 82 8.692 8.692 8.581 0.111 25098 5193 1 13 . 1 1 83 83 PHE N N 83 113.198 113.198 118.653 -5.455 25098 5194 1 13 . 1 1 83 83 PHE HA H 83 4.618 4.618 4.733 -0.115 25098 5195 1 13 . 1 1 83 83 PHE CA C 83 57.454 57.454 58.707 -1.253 25098 5196 1 13 . 1 1 83 83 PHE CB C 83 41.445 41.445 40.913 0.533 25098 5197 1 13 . 1 1 83 83 PHE H H 83 7.434 7.434 7.838 -0.404 25098 5198 1 13 . 1 1 84 84 GLY N N 84 108.212 108.212 108.971 -0.759 25098 5199 1 13 . 1 1 84 84 GLY CA C 84 46.552 46.552 45.619 0.933 25098 5200 1 13 . 1 1 84 84 GLY H H 84 7.677 7.677 8.580 -0.903 25098 5201 1 13 . 1 1 85 85 VAL N N 85 117.875 117.875 122.358 -4.483 25098 5202 1 13 . 1 1 85 85 VAL HA H 85 4.270 4.270 4.129 0.141 25098 5203 1 13 . 1 1 85 85 VAL CA C 85 61.664 61.664 61.632 0.032 25098 5204 1 13 . 1 1 85 85 VAL CB C 85 34.286 34.286 33.209 1.077 25098 5205 1 13 . 1 1 85 85 VAL H H 85 7.075 7.075 7.413 -0.338 25098 5206 1 13 . 1 1 86 86 HIS N N 86 129.355 129.355 124.843 4.512 25098 5207 1 13 . 1 1 86 86 HIS HA H 86 5.204 5.204 5.608 -0.404 25098 5208 1 13 . 1 1 86 86 HIS CA C 86 55.513 55.513 53.267 2.246 25098 5209 1 13 . 1 1 86 86 HIS CB C 86 31.131 31.131 30.182 0.949 25098 5210 1 13 . 1 1 86 86 HIS H H 86 8.921 8.921 8.283 0.638 25098 5211 1 13 . 1 1 87 87 ALA N N 87 126.717 126.717 127.622 -0.905 25098 5212 1 13 . 1 1 87 87 ALA HA H 87 4.749 4.749 4.791 -0.042 25098 5213 1 13 . 1 1 87 87 ALA CA C 87 50.886 50.886 50.362 0.524 25098 5214 1 13 . 1 1 87 87 ALA CB C 87 22.088 22.088 22.914 -0.826 25098 5215 1 13 . 1 1 87 87 ALA H H 87 8.799 8.799 9.087 -0.288 25098 5216 1 13 . 1 1 88 88 ASN N N 88 119.348 119.348 117.765 1.583 25098 5217 1 13 . 1 1 88 88 ASN HA H 88 5.125 5.125 4.801 0.324 25098 5218 1 13 . 1 1 88 88 ASN CA C 88 51.796 51.796 52.751 -0.955 25098 5219 1 13 . 1 1 88 88 ASN CB C 88 39.015 39.015 40.343 -1.328 25098 5220 1 13 . 1 1 88 88 ASN H H 88 8.230 8.230 8.327 -0.097 25098 5221 1 13 . 1 1 89 89 LEU N N 89 122.766 122.766 123.211 -0.445 25098 5222 1 13 . 1 1 89 89 LEU HA H 89 4.440 4.440 4.739 -0.299 25098 5223 1 13 . 1 1 89 89 LEU CA C 89 50.791 50.791 51.937 -1.146 25098 5224 1 13 . 1 1 89 89 LEU CB C 89 42.662 42.662 42.855 -0.193 25098 5225 1 13 . 1 1 89 89 LEU H H 89 8.356 8.356 8.606 -0.250 25098 5226 1 13 . 1 1 90 90 PRO HA H 90 4.434 4.434 4.556 -0.122 25098 5227 1 13 . 1 1 90 90 PRO CA C 90 61.669 61.669 62.094 -0.426 25098 5228 1 13 . 1 1 91 91 MET N N 91 121.751 121.751 125.514 -3.763 25098 5229 1 13 . 1 1 91 91 MET HA H 91 4.144 4.144 4.152 -0.008 25098 5230 1 13 . 1 1 91 91 MET CA C 91 55.460 55.460 55.415 0.045 25098 5231 1 13 . 1 1 91 91 MET CB C 91 30.951 30.951 32.252 -1.301 25098 5232 1 13 . 1 1 91 91 MET H H 91 8.709 8.709 8.589 0.120 25098 5233 1 13 . 1 1 92 92 GLY N N 92 112.856 112.856 113.969 -1.113 25098 5234 1 13 . 1 1 92 92 GLY CA C 92 46.265 46.265 45.048 1.217 25098 5235 1 13 . 1 1 92 92 GLY H H 92 8.325 8.325 8.611 -0.286 25098 5236 1 13 . 1 1 93 93 GLU N N 93 116.930 116.930 118.957 -2.027 25098 5237 1 13 . 1 1 93 93 GLU HA H 93 4.747 4.747 4.757 -0.010 25098 5238 1 13 . 1 1 93 93 GLU CA C 93 54.151 54.151 54.693 -0.542 25098 5239 1 13 . 1 1 93 93 GLU CB C 93 33.784 33.784 33.203 0.581 25098 5240 1 13 . 1 1 93 93 GLU H H 93 7.331 7.331 7.959 -0.628 25098 5241 1 13 . 1 1 94 94 GLU N N 94 119.837 119.837 119.258 0.579 25098 5242 1 13 . 1 1 94 94 GLU HA H 94 5.103 5.103 5.299 -0.196 25098 5243 1 13 . 1 1 94 94 GLU CA C 94 55.340 55.340 55.178 0.162 25098 5244 1 13 . 1 1 94 94 GLU CB C 94 31.196 31.196 31.742 -0.546 25098 5245 1 13 . 1 1 94 94 GLU H H 94 8.418 8.418 8.654 -0.236 25098 5246 1 13 . 1 1 95 95 TYR N N 95 124.949 124.949 125.935 -0.986 25098 5247 1 13 . 1 1 95 95 TYR HA H 95 4.637 4.637 4.817 -0.180 25098 5248 1 13 . 1 1 95 95 TYR CA C 95 58.125 58.125 57.407 0.718 25098 5249 1 13 . 1 1 95 95 TYR CB C 95 43.144 43.144 41.908 1.236 25098 5250 1 13 . 1 1 95 95 TYR H H 95 9.059 9.059 9.311 -0.252 25098 5251 1 13 . 1 1 96 96 VAL N N 96 128.075 128.075 126.374 1.701 25098 5252 1 13 . 1 1 96 96 VAL HA H 96 4.440 4.440 4.948 -0.508 25098 5253 1 13 . 1 1 96 96 VAL CA C 96 61.772 61.772 60.344 1.428 25098 5254 1 13 . 1 1 96 96 VAL CB C 96 32.805 32.805 34.071 -1.266 25098 5255 1 13 . 1 1 96 96 VAL H H 96 7.795 7.795 8.236 -0.441 25098 5256 1 13 . 1 1 97 97 VAL N N 97 129.541 129.541 129.491 0.050 25098 5257 1 13 . 1 1 97 97 VAL HA H 97 3.917 3.917 4.276 -0.359 25098 5258 1 13 . 1 1 97 97 VAL CA C 97 61.821 61.821 60.805 1.016 25098 5259 1 13 . 1 1 97 97 VAL CB C 97 33.313 33.313 32.979 0.334 25098 5260 1 13 . 1 1 97 97 VAL H H 97 9.110 9.110 8.885 0.225 25098 5261 1 13 . 1 1 98 98 GLU N N 98 127.575 127.575 128.960 -1.385 25098 5262 1 13 . 1 1 98 98 GLU HA H 98 5.237 5.237 4.785 0.452 25098 5263 1 13 . 1 1 98 98 GLU CA C 98 54.576 54.576 56.184 -1.608 25098 5264 1 13 . 1 1 98 98 GLU CB C 98 30.995 30.995 30.340 0.655 25098 5265 1 13 . 1 1 98 98 GLU H H 98 8.166 8.166 8.689 -0.523 25098 5266 1 13 . 1 1 99 99 ILE N N 99 118.374 118.374 122.073 -3.699 25098 5267 1 13 . 1 1 99 99 ILE HA H 99 4.386 4.386 4.568 -0.182 25098 5268 1 13 . 1 1 99 99 ILE CA C 99 59.143 59.143 59.046 0.097 25098 5269 1 13 . 1 1 99 99 ILE CB C 99 43.580 43.580 41.880 1.700 25098 5270 1 13 . 1 1 99 99 ILE H H 99 7.881 7.881 8.901 -1.020 25098 5271 1 13 . 1 1 100 100 THR N N 100 119.619 119.619 117.846 1.773 25098 5272 1 13 . 1 1 100 100 THR HA H 100 4.717 4.717 4.803 -0.086 25098 5273 1 13 . 1 1 100 100 THR CA C 100 58.983 58.983 58.780 0.203 25098 5274 1 13 . 1 1 100 100 THR CB C 100 69.121 69.121 69.174 -0.053 25098 5275 1 13 . 1 1 100 100 THR H H 100 8.885 8.885 8.316 0.569 25098 5276 1 13 . 1 1 101 101 PRO HA H 101 4.620 4.620 4.625 -0.005 25098 5277 1 13 . 1 1 101 101 PRO CA C 101 62.096 62.096 62.967 -0.871 25098 5278 1 13 . 1 1 101 101 PRO CB C 101 32.296 32.296 31.638 0.658 25098 5279 1 13 . 1 1 102 102 GLU N N 102 124.589 124.589 123.882 0.707 25098 5280 1 13 . 1 1 102 102 GLU HA H 102 4.379 4.379 4.422 -0.043 25098 5281 1 13 . 1 1 102 102 GLU CA C 102 56.649 56.649 56.509 0.140 25098 5282 1 13 . 1 1 102 102 GLU CB C 102 30.740 30.740 30.217 0.523 25098 5283 1 13 . 1 1 102 102 GLU H H 102 8.574 8.574 8.522 0.052 25098 5284 1 13 . 1 1 103 103 GLN N N 103 118.304 118.304 117.497 0.807 25098 5285 1 13 . 1 1 103 103 GLN HA H 103 4.662 4.662 4.458 0.204 25098 5286 1 13 . 1 1 103 103 GLN CA C 103 53.956 53.956 55.606 -1.650 25098 5287 1 13 . 1 1 103 103 GLN CB C 103 31.762 31.762 32.143 -0.381 25098 5288 1 13 . 1 1 103 103 GLN H H 103 8.518 8.518 7.506 1.012 25098 5289 1 13 . 1 1 104 104 ALA N N 104 124.603 124.603 126.075 -1.472 25098 5290 1 13 . 1 1 104 104 ALA HA H 104 4.195 4.195 4.617 -0.422 25098 5291 1 13 . 1 1 104 104 ALA CA C 104 51.886 51.886 52.001 -0.115 25098 5292 1 13 . 1 1 104 104 ALA CB C 104 19.377 19.377 19.210 0.167 25098 5293 1 13 . 1 1 104 104 ALA H H 104 8.575 8.575 8.469 0.106 25098 5294 1 13 . 1 1 105 105 GLY N N 105 108.486 108.486 111.834 -3.348 25098 5295 1 13 . 1 1 105 105 GLY CA C 105 44.726 44.726 45.340 -0.614 25098 5296 1 13 . 1 1 105 105 GLY H H 105 8.710 8.710 8.101 0.609 25098 5297 1 13 . 1 1 106 106 GLU N N 106 118.462 118.462 120.601 -2.139 25098 5298 1 13 . 1 1 106 106 GLU HA H 106 5.098 5.098 5.192 -0.094 25098 5299 1 13 . 1 1 106 106 GLU CA C 106 54.382 54.382 55.815 -1.433 25098 5300 1 13 . 1 1 106 106 GLU CB C 106 31.878 31.878 31.389 0.489 25098 5301 1 13 . 1 1 106 106 GLU H H 106 7.620 7.620 8.309 -0.689 25098 5302 1 13 . 1 1 107 107 PHE N N 107 123.388 123.388 124.314 -0.926 25098 5303 1 13 . 1 1 107 107 PHE HA H 107 4.999 4.999 5.117 -0.118 25098 5304 1 13 . 1 1 107 107 PHE CA C 107 56.623 56.623 56.861 -0.238 25098 5305 1 13 . 1 1 107 107 PHE CB C 107 43.035 43.035 43.155 -0.120 25098 5306 1 13 . 1 1 107 107 PHE H H 107 9.381 9.381 9.509 -0.128 25098 5307 1 13 . 1 1 108 108 SER N N 108 117.621 117.621 114.739 2.882 25098 5308 1 13 . 1 1 108 108 SER HA H 108 5.137 5.137 5.195 -0.058 25098 5309 1 13 . 1 1 108 108 SER CA C 108 58.465 58.465 57.532 0.933 25098 5310 1 13 . 1 1 108 108 SER CB C 108 65.864 65.864 66.374 -0.510 25098 5311 1 13 . 1 1 108 108 SER H H 108 8.846 8.846 9.160 -0.314 25098 5312 1 13 . 1 1 109 109 PHE N N 109 116.119 116.119 114.867 1.252 25098 5313 1 13 . 1 1 109 109 PHE HA H 109 5.154 5.154 4.768 0.386 25098 5314 1 13 . 1 1 109 109 PHE CA C 109 55.800 55.800 56.388 -0.588 25098 5315 1 13 . 1 1 109 109 PHE CB C 109 39.858 39.858 40.819 -0.961 25098 5316 1 13 . 1 1 109 109 PHE H H 109 7.646 7.646 8.305 -0.659 25098 5317 1 13 . 1 1 110 110 ALA N N 110 121.615 121.615 123.663 -2.048 25098 5318 1 13 . 1 1 110 110 ALA HA H 110 5.258 5.258 4.913 0.345 25098 5319 1 13 . 1 1 110 110 ALA CA C 110 50.940 50.940 51.718 -0.777 25098 5320 1 13 . 1 1 110 110 ALA CB C 110 24.724 24.724 22.218 2.506 25098 5321 1 13 . 1 1 110 110 ALA H H 110 8.826 8.826 7.941 0.885 25098 5322 1 13 . 1 1 111 111 CYS N N 111 114.162 114.162 119.398 -5.236 25098 5323 1 13 . 1 1 111 111 CYS HA H 111 5.372 5.372 4.670 0.702 25098 5324 1 13 . 1 1 111 111 CYS CA C 111 55.651 55.651 58.404 -2.753 25098 5325 1 13 . 1 1 111 111 CYS CB C 111 33.551 33.551 29.201 4.350 25098 5326 1 13 . 1 1 111 111 CYS H H 111 7.820 7.820 8.990 -1.170 25098 5327 1 13 . 1 1 112 112 GLY N N 112 108.348 108.348 115.040 -6.692 25098 5328 1 13 . 1 1 112 112 GLY H H 112 8.277 8.277 8.341 -0.064 25098 5329 1 13 . 1 1 117 117 HIS N N 117 117.324 117.324 118.513 -1.189 25098 5330 1 13 . 1 1 117 117 HIS HA H 117 4.540 4.540 4.844 -0.304 25098 5331 1 13 . 1 1 117 117 HIS CA C 117 56.897 56.897 56.573 0.324 25098 5332 1 13 . 1 1 117 117 HIS CB C 117 29.675 29.675 33.763 -4.088 25098 5333 1 13 . 1 1 117 117 HIS H H 117 8.670 8.670 8.629 0.041 25098 5334 1 13 . 1 1 118 118 GLY N N 118 109.716 109.716 108.765 0.951 25098 5335 1 13 . 1 1 118 118 GLY CA C 118 43.143 43.143 43.403 -0.260 25098 5336 1 13 . 1 1 118 118 GLY H H 118 8.350 8.350 7.891 0.459 25098 5337 1 13 . 1 1 119 119 LYS N N 119 120.631 120.631 124.313 -3.682 25098 5338 1 13 . 1 1 119 119 LYS HA H 119 4.949 4.949 5.021 -0.072 25098 5339 1 13 . 1 1 119 119 LYS CA C 119 55.192 55.192 54.354 0.838 25098 5340 1 13 . 1 1 119 119 LYS CB C 119 36.931 36.931 37.020 -0.089 25098 5341 1 13 . 1 1 119 119 LYS H H 119 8.561 8.561 8.935 -0.374 25098 5342 1 13 . 1 1 120 120 MET N N 120 123.525 123.525 123.403 0.122 25098 5343 1 13 . 1 1 120 120 MET HA H 120 5.565 5.565 5.355 0.210 25098 5344 1 13 . 1 1 120 120 MET CA C 120 53.142 53.142 54.619 -1.477 25098 5345 1 13 . 1 1 120 120 MET CB C 120 37.448 37.448 37.599 -0.151 25098 5346 1 13 . 1 1 120 120 MET H H 120 9.329 9.329 9.238 0.091 25098 5347 1 13 . 1 1 121 121 ILE N N 121 127.707 127.707 126.022 1.685 25098 5348 1 13 . 1 1 121 121 ILE HA H 121 4.890 4.890 5.052 -0.162 25098 5349 1 13 . 1 1 121 121 ILE CA C 121 60.048 60.048 60.474 -0.426 25098 5350 1 13 . 1 1 121 121 ILE CB C 121 39.806 39.806 40.604 -0.798 25098 5351 1 13 . 1 1 121 121 ILE H H 121 9.471 9.471 9.315 0.156 25098 5352 1 13 . 1 1 122 122 VAL N N 122 127.738 127.738 127.646 0.092 25098 5353 1 13 . 1 1 122 122 VAL HA H 122 4.994 4.994 4.825 0.169 25098 5354 1 13 . 1 1 122 122 VAL CA C 122 60.618 60.618 61.723 -1.105 25098 5355 1 13 . 1 1 122 122 VAL CB C 122 33.297 33.297 32.819 0.478 25098 5356 1 13 . 1 1 122 122 VAL H H 122 9.350 9.350 8.934 0.416 25098 5357 1 14 . 1 1 28 28 MET N N 28 119.966 119.966 119.816 0.150 25098 5358 1 14 . 1 1 28 28 MET H H 28 8.438 8.438 7.608 0.830 25098 5359 1 14 . 1 1 29 29 GLY N N 29 109.326 109.326 106.580 2.746 25098 5360 1 14 . 1 1 29 29 GLY CA C 29 44.803 44.803 43.944 0.859 25098 5361 1 14 . 1 1 29 29 GLY H H 29 8.343 8.343 8.183 0.160 25098 5362 1 14 . 1 1 30 30 GLN N N 30 121.171 121.171 119.400 1.771 25098 5363 1 14 . 1 1 30 30 GLN HA H 30 4.548 4.548 4.648 -0.100 25098 5364 1 14 . 1 1 30 30 GLN CA C 30 54.981 54.981 54.812 0.168 25098 5365 1 14 . 1 1 30 30 GLN CB C 30 30.824 30.824 31.943 -1.119 25098 5366 1 14 . 1 1 30 30 GLN H H 30 8.174 8.174 8.899 -0.725 25098 5367 1 14 . 1 1 31 31 LYS N N 31 125.160 125.160 126.718 -1.558 25098 5368 1 14 . 1 1 31 31 LYS HA H 31 4.829 4.829 4.319 0.510 25098 5369 1 14 . 1 1 31 31 LYS CA C 31 55.952 55.952 56.070 -0.118 25098 5370 1 14 . 1 1 31 31 LYS CB C 31 33.322 33.322 33.278 0.044 25098 5371 1 14 . 1 1 31 31 LYS H H 31 8.713 8.713 8.776 -0.063 25098 5372 1 14 . 1 1 32 32 ALA N N 32 123.842 123.842 129.495 -5.653 25098 5373 1 14 . 1 1 32 32 ALA HA H 32 4.125 4.125 4.249 -0.124 25098 5374 1 14 . 1 1 32 32 ALA CA C 32 52.301 52.301 52.034 0.267 25098 5375 1 14 . 1 1 32 32 ALA CB C 32 18.956 18.956 20.027 -1.071 25098 5376 1 14 . 1 1 32 32 ALA H H 32 8.152 8.152 8.087 0.065 25098 5377 1 14 . 1 1 33 33 GLN N N 33 121.807 121.807 120.971 0.836 25098 5378 1 14 . 1 1 33 33 GLN HA H 33 4.380 4.380 4.308 0.072 25098 5379 1 14 . 1 1 33 33 GLN CA C 33 55.299 55.299 55.383 -0.084 25098 5380 1 14 . 1 1 33 33 GLN CB C 33 29.835 29.835 29.557 0.278 25098 5381 1 14 . 1 1 33 33 GLN H H 33 8.808 8.808 8.476 0.332 25098 5382 1 14 . 1 1 34 34 GLN N N 34 124.320 124.320 124.354 -0.034 25098 5383 1 14 . 1 1 34 34 GLN HA H 34 4.212 4.212 4.399 -0.187 25098 5384 1 14 . 1 1 34 34 GLN CA C 34 55.368 55.368 55.671 -0.303 25098 5385 1 14 . 1 1 34 34 GLN CB C 34 27.615 27.615 29.117 -1.502 25098 5386 1 14 . 1 1 34 34 GLN H H 34 9.025 9.025 8.488 0.537 25098 5387 1 14 . 1 1 35 35 LYS N N 35 126.662 126.662 123.266 3.396 25098 5388 1 14 . 1 1 35 35 LYS HA H 35 4.441 4.441 4.245 0.196 25098 5389 1 14 . 1 1 35 35 LYS CA C 35 54.126 54.126 54.169 -0.043 25098 5390 1 14 . 1 1 35 35 LYS CB C 35 31.475 31.475 32.589 -1.114 25098 5391 1 14 . 1 1 35 35 LYS H H 35 8.479 8.479 8.530 -0.051 25098 5392 1 14 . 1 1 36 36 ASN N N 36 118.026 118.026 119.404 -1.378 25098 5393 1 14 . 1 1 36 36 ASN HA H 36 4.611 4.611 4.566 0.045 25098 5394 1 14 . 1 1 36 36 ASN CA C 36 53.478 53.478 53.364 0.114 25098 5395 1 14 . 1 1 36 36 ASN CB C 36 36.839 36.839 36.493 0.346 25098 5396 1 14 . 1 1 36 36 ASN H H 36 8.062 8.062 8.279 -0.217 25098 5397 1 14 . 1 1 37 37 GLY N N 37 111.719 111.719 108.918 2.801 25098 5398 1 14 . 1 1 37 37 GLY CA C 37 45.230 45.230 45.487 -0.257 25098 5399 1 14 . 1 1 37 37 GLY H H 37 8.285 8.285 8.115 0.170 25098 5400 1 14 . 1 1 38 38 TYR N N 38 114.733 114.733 115.128 -0.395 25098 5401 1 14 . 1 1 38 38 TYR HA H 38 5.107 5.107 5.296 -0.189 25098 5402 1 14 . 1 1 38 38 TYR CA C 38 55.398 55.398 55.448 -0.050 25098 5403 1 14 . 1 1 38 38 TYR CB C 38 39.246 39.246 40.352 -1.106 25098 5404 1 14 . 1 1 38 38 TYR H H 38 7.158 7.158 7.227 -0.069 25098 5405 1 14 . 1 1 39 39 GLN N N 39 117.964 117.964 117.011 0.953 25098 5406 1 14 . 1 1 39 39 GLN HA H 39 5.472 5.472 5.084 0.388 25098 5407 1 14 . 1 1 39 39 GLN CA C 39 52.396 52.396 53.837 -1.441 25098 5408 1 14 . 1 1 39 39 GLN CB C 39 30.812 30.812 32.721 -1.909 25098 5409 1 14 . 1 1 39 39 GLN H H 39 9.401 9.401 8.995 0.406 25098 5410 1 14 . 1 1 40 40 GLU N N 40 123.527 123.527 121.186 2.341 25098 5411 1 14 . 1 1 40 40 GLU HA H 40 5.809 5.809 5.605 0.204 25098 5412 1 14 . 1 1 40 40 GLU CA C 40 54.574 54.574 54.887 -0.313 25098 5413 1 14 . 1 1 40 40 GLU CB C 40 35.999 35.999 34.487 1.512 25098 5414 1 14 . 1 1 40 40 GLU H H 40 9.027 9.027 8.884 0.143 25098 5415 1 14 . 1 1 41 41 ILE N N 41 124.884 124.884 122.485 2.399 25098 5416 1 14 . 1 1 41 41 ILE HA H 41 4.686 4.686 4.526 0.160 25098 5417 1 14 . 1 1 41 41 ILE CA C 41 59.126 59.126 60.297 -1.171 25098 5418 1 14 . 1 1 41 41 ILE CB C 41 42.658 42.658 42.151 0.507 25098 5419 1 14 . 1 1 41 41 ILE H H 41 8.503 8.503 8.276 0.227 25098 5420 1 14 . 1 1 42 42 ARG N N 42 127.316 127.316 128.939 -1.623 25098 5421 1 14 . 1 1 42 42 ARG HA H 42 5.136 5.136 4.598 0.538 25098 5422 1 14 . 1 1 42 42 ARG CA C 42 54.461 54.461 55.880 -1.419 25098 5423 1 14 . 1 1 42 42 ARG CB C 42 32.141 32.141 30.700 1.442 25098 5424 1 14 . 1 1 42 42 ARG H H 42 7.942 7.942 8.623 -0.681 25098 5425 1 14 . 1 1 43 43 VAL N N 43 126.060 126.060 128.666 -2.606 25098 5426 1 14 . 1 1 43 43 VAL HA H 43 4.357 4.357 4.196 0.161 25098 5427 1 14 . 1 1 43 43 VAL CA C 43 61.020 61.020 60.209 0.811 25098 5428 1 14 . 1 1 43 43 VAL CB C 43 34.375 34.375 32.034 2.341 25098 5429 1 14 . 1 1 43 43 VAL H H 43 9.158 9.158 9.068 0.090 25098 5430 1 14 . 1 1 44 44 GLU N N 44 127.592 127.592 129.054 -1.462 25098 5431 1 14 . 1 1 44 44 GLU HA H 44 4.782 4.782 4.365 0.417 25098 5432 1 14 . 1 1 44 44 GLU CA C 44 55.944 55.944 56.614 -0.670 25098 5433 1 14 . 1 1 44 44 GLU CB C 44 31.779 31.779 30.003 1.776 25098 5434 1 14 . 1 1 44 44 GLU H H 44 9.086 9.086 8.936 0.150 25098 5435 1 14 . 1 1 45 45 VAL N N 45 126.323 126.323 128.848 -2.525 25098 5436 1 14 . 1 1 45 45 VAL HA H 45 4.910 4.910 4.765 0.145 25098 5437 1 14 . 1 1 45 45 VAL CA C 45 61.122 61.122 61.760 -0.637 25098 5438 1 14 . 1 1 45 45 VAL CB C 45 31.501 31.501 32.378 -0.877 25098 5439 1 14 . 1 1 45 45 VAL H H 45 8.617 8.617 9.025 -0.408 25098 5440 1 14 . 1 1 46 46 MET N N 46 127.658 127.658 124.508 3.150 25098 5441 1 14 . 1 1 46 46 MET HA H 46 4.755 4.755 4.842 -0.087 25098 5442 1 14 . 1 1 46 46 MET CA C 46 55.999 55.999 54.367 1.633 25098 5443 1 14 . 1 1 46 46 MET CB C 46 32.530 32.530 33.115 -0.585 25098 5444 1 14 . 1 1 46 46 MET H H 46 8.319 8.319 7.818 0.501 25098 5445 1 14 . 1 1 47 47 GLY N N 47 119.231 119.231 106.967 12.264 25098 5446 1 14 . 1 1 47 47 GLY CA C 47 46.863 46.863 45.288 1.575 25098 5447 1 14 . 1 1 47 47 GLY H H 47 10.065 10.065 8.613 1.452 25098 5448 1 14 . 1 1 48 48 GLY N N 48 102.924 102.924 106.406 -3.482 25098 5449 1 14 . 1 1 48 48 GLY CA C 48 43.176 43.176 44.372 -1.196 25098 5450 1 14 . 1 1 48 48 GLY H H 48 6.639 6.639 7.693 -1.054 25098 5451 1 14 . 1 1 49 49 TYR N N 49 120.115 120.115 118.771 1.344 25098 5452 1 14 . 1 1 49 49 TYR HA H 49 5.267 5.267 5.096 0.171 25098 5453 1 14 . 1 1 49 49 TYR CA C 49 56.991 56.991 57.376 -0.385 25098 5454 1 14 . 1 1 49 49 TYR CB C 49 40.490 40.490 38.940 1.550 25098 5455 1 14 . 1 1 49 49 TYR H H 49 8.364 8.364 8.272 0.092 25098 5456 1 14 . 1 1 50 50 THR N N 50 117.545 117.545 119.059 -1.514 25098 5457 1 14 . 1 1 50 50 THR HA H 50 4.742 4.742 4.322 0.420 25098 5458 1 14 . 1 1 50 50 THR CA C 50 59.224 59.224 65.221 -5.997 25098 5459 1 14 . 1 1 50 50 THR CB C 50 71.576 71.576 67.795 3.781 25098 5460 1 14 . 1 1 50 50 THR H H 50 8.574 8.574 8.397 0.177 25098 5461 1 14 . 1 1 51 51 PRO HA H 51 4.928 4.928 4.522 0.406 25098 5462 1 14 . 1 1 51 51 PRO CA C 51 63.206 63.206 63.059 0.147 25098 5463 1 14 . 1 1 51 51 PRO CB C 51 34.946 34.946 31.437 3.509 25098 5464 1 14 . 1 1 52 52 GLU N N 52 114.661 114.661 122.038 -7.377 25098 5465 1 14 . 1 1 52 52 GLU HA H 52 4.468 4.468 3.970 0.498 25098 5466 1 14 . 1 1 52 52 GLU CA C 52 55.828 55.828 58.882 -3.054 25098 5467 1 14 . 1 1 52 52 GLU CB C 52 30.239 30.239 29.846 0.393 25098 5468 1 14 . 1 1 52 52 GLU H H 52 8.351 8.351 8.456 -0.105 25098 5469 1 14 . 1 1 53 53 LEU N N 53 123.273 123.273 115.986 7.287 25098 5470 1 14 . 1 1 53 53 LEU HA H 53 5.504 5.504 5.471 0.033 25098 5471 1 14 . 1 1 53 53 LEU CA C 53 54.005 54.005 52.587 1.418 25098 5472 1 14 . 1 1 53 53 LEU CB C 53 44.276 44.276 44.121 0.155 25098 5473 1 14 . 1 1 53 53 LEU H H 53 7.476 7.476 7.505 -0.029 25098 5474 1 14 . 1 1 54 54 ILE N N 54 121.159 121.159 119.870 1.289 25098 5475 1 14 . 1 1 54 54 ILE HA H 54 5.238 5.238 5.270 -0.032 25098 5476 1 14 . 1 1 54 54 ILE CA C 54 59.006 59.006 59.261 -0.255 25098 5477 1 14 . 1 1 54 54 ILE CB C 54 41.979 41.979 39.205 2.774 25098 5478 1 14 . 1 1 54 54 ILE H H 54 8.732 8.732 9.240 -0.508 25098 5479 1 14 . 1 1 55 55 VAL N N 55 123.295 123.295 126.238 -2.943 25098 5480 1 14 . 1 1 55 55 VAL HA H 55 5.138 5.138 4.857 0.281 25098 5481 1 14 . 1 1 55 55 VAL CA C 55 61.216 61.216 62.020 -0.805 25098 5482 1 14 . 1 1 55 55 VAL CB C 55 33.376 33.376 32.325 1.051 25098 5483 1 14 . 1 1 55 55 VAL H H 55 8.456 8.456 8.688 -0.232 25098 5484 1 14 . 1 1 56 56 LEU N N 56 129.681 129.681 127.353 2.328 25098 5485 1 14 . 1 1 56 56 LEU HA H 56 4.637 4.637 5.116 -0.479 25098 5486 1 14 . 1 1 56 56 LEU CA C 56 53.044 53.044 53.311 -0.267 25098 5487 1 14 . 1 1 56 56 LEU CB C 56 45.712 45.712 46.840 -1.128 25098 5488 1 14 . 1 1 56 56 LEU H H 56 9.646 9.646 9.252 0.394 25098 5489 1 14 . 1 1 57 57 LYS N N 57 121.874 121.874 119.851 2.023 25098 5490 1 14 . 1 1 57 57 LYS HA H 57 4.815 4.815 4.814 0.001 25098 5491 1 14 . 1 1 57 57 LYS CA C 57 55.095 55.095 54.960 0.135 25098 5492 1 14 . 1 1 57 57 LYS CB C 57 33.701 33.701 34.629 -0.928 25098 5493 1 14 . 1 1 57 57 LYS H H 57 9.619 9.619 8.981 0.638 25098 5494 1 14 . 1 1 58 58 LYS N N 58 124.865 124.865 121.196 3.669 25098 5495 1 14 . 1 1 58 58 LYS HA H 58 3.714 3.714 4.598 -0.884 25098 5496 1 14 . 1 1 58 58 LYS CA C 58 57.532 57.532 55.729 1.803 25098 5497 1 14 . 1 1 58 58 LYS CB C 58 33.246 33.246 33.931 -0.685 25098 5498 1 14 . 1 1 58 58 LYS H H 58 8.793 8.793 7.918 0.875 25098 5499 1 14 . 1 1 59 59 SER N N 59 113.482 113.482 117.840 -4.358 25098 5500 1 14 . 1 1 59 59 SER HA H 59 4.084 4.084 4.109 -0.025 25098 5501 1 14 . 1 1 59 59 SER CA C 59 61.005 61.005 59.831 1.174 25098 5502 1 14 . 1 1 59 59 SER CB C 59 60.917 60.917 62.615 -1.698 25098 5503 1 14 . 1 1 59 59 SER H H 59 8.946 8.946 9.124 -0.178 25098 5504 1 14 . 1 1 60 60 VAL N N 60 123.081 123.081 120.994 2.087 25098 5505 1 14 . 1 1 60 60 VAL HA H 60 4.448 4.448 4.606 -0.158 25098 5506 1 14 . 1 1 60 60 VAL CA C 60 59.101 59.101 58.520 0.581 25098 5507 1 14 . 1 1 60 60 VAL CB C 60 33.818 33.818 34.742 -0.923 25098 5508 1 14 . 1 1 60 60 VAL H H 60 6.974 6.974 7.517 -0.543 25098 5509 1 14 . 1 1 61 61 PRO HA H 61 4.405 4.405 4.628 -0.223 25098 5510 1 14 . 1 1 61 61 PRO CA C 61 64.752 64.752 63.078 1.675 25098 5511 1 14 . 1 1 61 61 PRO CB C 61 32.273 32.273 31.177 1.096 25098 5512 1 14 . 1 1 62 62 ALA N N 62 124.881 124.881 126.628 -1.747 25098 5513 1 14 . 1 1 62 62 ALA HA H 62 5.452 5.452 5.349 0.103 25098 5514 1 14 . 1 1 62 62 ALA CA C 62 49.746 49.746 50.318 -0.572 25098 5515 1 14 . 1 1 62 62 ALA CB C 62 22.483 22.483 22.834 -0.350 25098 5516 1 14 . 1 1 62 62 ALA H H 62 9.244 9.244 9.214 0.030 25098 5517 1 14 . 1 1 63 63 ARG N N 63 122.869 122.869 122.249 0.620 25098 5518 1 14 . 1 1 63 63 ARG HA H 63 4.498 4.498 5.479 -0.981 25098 5519 1 14 . 1 1 63 63 ARG CA C 63 55.022 55.022 53.545 1.477 25098 5520 1 14 . 1 1 63 63 ARG CB C 63 31.637 31.637 33.001 -1.364 25098 5521 1 14 . 1 1 63 63 ARG H H 63 8.858 8.858 9.136 -0.278 25098 5522 1 14 . 1 1 64 64 ILE N N 64 125.797 125.797 124.789 1.008 25098 5523 1 14 . 1 1 64 64 ILE HA H 64 4.367 4.367 4.374 -0.007 25098 5524 1 14 . 1 1 64 64 ILE CA C 64 60.028 60.028 58.502 1.526 25098 5525 1 14 . 1 1 64 64 ILE CB C 64 37.499 37.499 37.326 0.173 25098 5526 1 14 . 1 1 64 64 ILE H H 64 9.033 9.033 8.808 0.225 25098 5527 1 14 . 1 1 65 65 VAL N N 65 127.998 127.998 128.062 -0.064 25098 5528 1 14 . 1 1 65 65 VAL HA H 65 4.122 4.122 4.175 -0.053 25098 5529 1 14 . 1 1 65 65 VAL CA C 65 61.697 61.697 61.844 -0.147 25098 5530 1 14 . 1 1 65 65 VAL CB C 65 32.480 32.480 31.555 0.925 25098 5531 1 14 . 1 1 65 65 VAL H H 65 8.800 8.800 8.909 -0.109 25098 5532 1 14 . 1 1 66 66 PHE N N 66 126.431 126.431 128.384 -1.953 25098 5533 1 14 . 1 1 66 66 PHE HA H 66 5.190 5.190 5.174 0.016 25098 5534 1 14 . 1 1 66 66 PHE CA C 66 58.012 58.012 56.883 1.129 25098 5535 1 14 . 1 1 66 66 PHE CB C 66 41.731 41.731 40.111 1.620 25098 5536 1 14 . 1 1 66 66 PHE H H 66 9.536 9.536 9.465 0.071 25098 5537 1 14 . 1 1 67 67 ASP N N 67 123.469 123.469 125.595 -2.126 25098 5538 1 14 . 1 1 67 67 ASP HA H 67 4.986 4.986 4.989 -0.003 25098 5539 1 14 . 1 1 67 67 ASP CA C 67 52.158 52.158 53.326 -1.168 25098 5540 1 14 . 1 1 67 67 ASP CB C 67 42.083 42.083 42.527 -0.444 25098 5541 1 14 . 1 1 67 67 ASP H H 67 8.806 8.806 8.874 -0.068 25098 5542 1 14 . 1 1 68 68 ARG N N 68 124.864 124.864 128.506 -3.642 25098 5543 1 14 . 1 1 68 68 ARG HA H 68 4.760 4.760 4.320 0.440 25098 5544 1 14 . 1 1 68 68 ARG CA C 68 58.018 58.018 56.419 1.599 25098 5545 1 14 . 1 1 68 68 ARG CB C 68 30.605 30.605 30.070 0.535 25098 5546 1 14 . 1 1 68 68 ARG H H 68 8.598 8.598 8.062 0.536 25098 5547 1 14 . 1 1 69 69 LYS N N 69 126.910 126.910 127.121 -0.211 25098 5548 1 14 . 1 1 69 69 LYS HA H 69 4.662 4.662 4.426 0.236 25098 5549 1 14 . 1 1 69 69 LYS CA C 69 55.222 55.222 56.464 -1.242 25098 5550 1 14 . 1 1 69 69 LYS CB C 69 34.788 34.788 33.634 1.154 25098 5551 1 14 . 1 1 69 69 LYS H H 69 8.348 8.348 8.916 -0.568 25098 5552 1 14 . 1 1 70 70 ASP N N 70 119.420 119.420 119.668 -0.248 25098 5553 1 14 . 1 1 70 70 ASP HA H 70 5.085 5.085 4.946 0.139 25098 5554 1 14 . 1 1 70 70 ASP CA C 70 49.872 49.872 51.008 -1.136 25098 5555 1 14 . 1 1 70 70 ASP CB C 70 45.194 45.194 42.521 2.673 25098 5556 1 14 . 1 1 70 70 ASP H H 70 6.675 6.675 7.881 -1.206 25098 5557 1 14 . 1 1 71 71 PRO HA H 71 4.589 4.589 4.528 0.061 25098 5558 1 14 . 1 1 71 71 PRO CA C 71 63.781 63.781 62.551 1.230 25098 5559 1 14 . 1 1 72 72 SER N N 72 121.578 121.578 118.931 2.647 25098 5560 1 14 . 1 1 72 72 SER HA H 72 4.462 4.462 4.521 -0.059 25098 5561 1 14 . 1 1 72 72 SER CA C 72 57.029 57.029 56.539 0.490 25098 5562 1 14 . 1 1 72 72 SER CB C 72 63.781 63.781 63.528 0.253 25098 5563 1 14 . 1 1 72 72 SER H H 72 8.624 8.624 7.691 0.933 25098 5564 1 14 . 1 1 73 73 PRO HA H 73 4.348 4.348 4.322 0.026 25098 5565 1 14 . 1 1 73 73 PRO CA C 73 64.297 64.297 64.822 -0.525 25098 5566 1 14 . 1 1 74 74 CYS N N 74 114.456 114.456 114.000 0.456 25098 5567 1 14 . 1 1 74 74 CYS HA H 74 4.320 4.320 4.392 -0.072 25098 5568 1 14 . 1 1 74 74 CYS CA C 74 60.192 60.192 59.614 0.578 25098 5569 1 14 . 1 1 74 74 CYS CB C 74 27.035 27.035 26.244 0.791 25098 5570 1 14 . 1 1 74 74 CYS H H 74 8.010 8.010 8.129 -0.119 25098 5571 1 14 . 1 1 75 75 LEU N N 75 120.476 120.476 118.774 1.702 25098 5572 1 14 . 1 1 75 75 LEU HA H 75 4.546 4.546 4.386 0.160 25098 5573 1 14 . 1 1 75 75 LEU CA C 75 53.987 53.987 54.184 -0.197 25098 5574 1 14 . 1 1 75 75 LEU CB C 75 41.083 41.083 41.884 -0.801 25098 5575 1 14 . 1 1 75 75 LEU H H 75 7.629 7.629 7.491 0.138 25098 5576 1 14 . 1 1 76 76 ASP N N 76 117.861 117.861 118.997 -1.136 25098 5577 1 14 . 1 1 76 76 ASP HA H 76 4.466 4.466 4.385 0.081 25098 5578 1 14 . 1 1 76 76 ASP CB C 76 41.608 41.608 42.070 -0.462 25098 5579 1 14 . 1 1 76 76 ASP H H 76 7.465 7.465 7.405 0.060 25098 5580 1 14 . 1 1 77 77 GLN HA H 77 5.368 5.368 4.697 0.671 25098 5581 1 14 . 1 1 77 77 GLN CA C 77 53.830 53.830 54.586 -0.756 25098 5582 1 14 . 1 1 77 77 GLN CB C 77 33.290 33.290 33.564 -0.274 25098 5583 1 14 . 1 1 78 78 ILE N N 78 123.134 123.134 120.100 3.034 25098 5584 1 14 . 1 1 78 78 ILE HA H 78 4.893 4.893 4.429 0.464 25098 5585 1 14 . 1 1 78 78 ILE CA C 78 56.862 56.862 60.118 -3.256 25098 5586 1 14 . 1 1 78 78 ILE CB C 78 42.611 42.611 41.614 0.997 25098 5587 1 14 . 1 1 78 78 ILE H H 78 9.043 9.043 8.983 0.060 25098 5588 1 14 . 1 1 79 79 VAL N N 79 125.068 125.068 129.016 -3.948 25098 5589 1 14 . 1 1 79 79 VAL HA H 79 4.911 4.911 5.375 -0.464 25098 5590 1 14 . 1 1 79 79 VAL CB C 79 35.336 35.336 35.154 0.182 25098 5591 1 14 . 1 1 79 79 VAL H H 79 8.911 8.911 8.257 0.654 25098 5592 1 14 . 1 1 80 80 PHE N N 80 123.479 123.479 128.418 -4.939 25098 5593 1 14 . 1 1 80 80 PHE HA H 80 5.574 5.574 5.231 0.343 25098 5594 1 14 . 1 1 80 80 PHE CA C 80 53.684 53.684 55.659 -1.975 25098 5595 1 14 . 1 1 80 80 PHE CB C 80 39.905 39.905 39.459 0.446 25098 5596 1 14 . 1 1 80 80 PHE H H 80 8.628 8.628 9.535 -0.907 25098 5597 1 14 . 1 1 81 81 PRO HA H 81 4.427 4.427 4.380 0.047 25098 5598 1 14 . 1 1 81 81 PRO CA C 81 65.254 65.254 65.091 0.163 25098 5599 1 14 . 1 1 81 81 PRO CB C 81 32.319 32.319 31.534 0.785 25098 5600 1 14 . 1 1 82 82 ASP N N 82 114.119 114.119 118.202 -4.083 25098 5601 1 14 . 1 1 82 82 ASP HA H 82 4.484 4.484 4.630 -0.146 25098 5602 1 14 . 1 1 82 82 ASP CA C 82 55.569 55.569 55.116 0.453 25098 5603 1 14 . 1 1 82 82 ASP CB C 82 41.625 41.625 41.705 -0.080 25098 5604 1 14 . 1 1 82 82 ASP H H 82 8.692 8.692 8.602 0.090 25098 5605 1 14 . 1 1 83 83 PHE N N 83 113.198 113.198 117.859 -4.661 25098 5606 1 14 . 1 1 83 83 PHE HA H 83 4.618 4.618 4.542 0.076 25098 5607 1 14 . 1 1 83 83 PHE CA C 83 57.454 57.454 57.994 -0.540 25098 5608 1 14 . 1 1 83 83 PHE CB C 83 41.445 41.445 41.991 -0.546 25098 5609 1 14 . 1 1 83 83 PHE H H 83 7.434 7.434 7.687 -0.253 25098 5610 1 14 . 1 1 84 84 GLY N N 84 108.212 108.212 109.146 -0.934 25098 5611 1 14 . 1 1 84 84 GLY CA C 84 46.552 46.552 45.492 1.060 25098 5612 1 14 . 1 1 84 84 GLY H H 84 7.677 7.677 8.604 -0.927 25098 5613 1 14 . 1 1 85 85 VAL N N 85 117.875 117.875 122.586 -4.711 25098 5614 1 14 . 1 1 85 85 VAL HA H 85 4.270 4.270 4.117 0.153 25098 5615 1 14 . 1 1 85 85 VAL CA C 85 61.664 61.664 61.773 -0.109 25098 5616 1 14 . 1 1 85 85 VAL CB C 85 34.286 34.286 32.648 1.638 25098 5617 1 14 . 1 1 85 85 VAL H H 85 7.075 7.075 7.434 -0.359 25098 5618 1 14 . 1 1 86 86 HIS N N 86 129.355 129.355 124.411 4.944 25098 5619 1 14 . 1 1 86 86 HIS HA H 86 5.204 5.204 5.534 -0.330 25098 5620 1 14 . 1 1 86 86 HIS CA C 86 55.513 55.513 53.348 2.165 25098 5621 1 14 . 1 1 86 86 HIS CB C 86 31.131 31.131 30.339 0.792 25098 5622 1 14 . 1 1 86 86 HIS H H 86 8.921 8.921 8.341 0.580 25098 5623 1 14 . 1 1 87 87 ALA N N 87 126.717 126.717 128.131 -1.414 25098 5624 1 14 . 1 1 87 87 ALA HA H 87 4.749 4.749 4.802 -0.053 25098 5625 1 14 . 1 1 87 87 ALA CA C 87 50.886 50.886 50.255 0.631 25098 5626 1 14 . 1 1 87 87 ALA CB C 87 22.088 22.088 22.908 -0.820 25098 5627 1 14 . 1 1 87 87 ALA H H 87 8.799 8.799 9.179 -0.380 25098 5628 1 14 . 1 1 88 88 ASN N N 88 119.348 119.348 117.978 1.370 25098 5629 1 14 . 1 1 88 88 ASN HA H 88 5.125 5.125 4.807 0.318 25098 5630 1 14 . 1 1 88 88 ASN CA C 88 51.796 51.796 52.221 -0.425 25098 5631 1 14 . 1 1 88 88 ASN CB C 88 39.015 39.015 40.536 -1.521 25098 5632 1 14 . 1 1 88 88 ASN H H 88 8.230 8.230 8.296 -0.066 25098 5633 1 14 . 1 1 89 89 LEU N N 89 122.766 122.766 122.685 0.081 25098 5634 1 14 . 1 1 89 89 LEU HA H 89 4.440 4.440 4.725 -0.285 25098 5635 1 14 . 1 1 89 89 LEU CA C 89 50.791 50.791 51.783 -0.992 25098 5636 1 14 . 1 1 89 89 LEU CB C 89 42.662 42.662 42.588 0.074 25098 5637 1 14 . 1 1 89 89 LEU H H 89 8.356 8.356 8.698 -0.342 25098 5638 1 14 . 1 1 90 90 PRO HA H 90 4.434 4.434 4.565 -0.131 25098 5639 1 14 . 1 1 90 90 PRO CA C 90 61.669 61.669 62.083 -0.414 25098 5640 1 14 . 1 1 91 91 MET N N 91 121.751 121.751 125.371 -3.620 25098 5641 1 14 . 1 1 91 91 MET HA H 91 4.144 4.144 4.169 -0.025 25098 5642 1 14 . 1 1 91 91 MET CA C 91 55.460 55.460 55.292 0.168 25098 5643 1 14 . 1 1 91 91 MET CB C 91 30.951 30.951 32.285 -1.335 25098 5644 1 14 . 1 1 91 91 MET H H 91 8.709 8.709 8.559 0.150 25098 5645 1 14 . 1 1 92 92 GLY N N 92 112.856 112.856 114.042 -1.186 25098 5646 1 14 . 1 1 92 92 GLY CA C 92 46.265 46.265 45.066 1.199 25098 5647 1 14 . 1 1 92 92 GLY H H 92 8.325 8.325 8.632 -0.307 25098 5648 1 14 . 1 1 93 93 GLU N N 93 116.930 116.930 119.041 -2.111 25098 5649 1 14 . 1 1 93 93 GLU HA H 93 4.747 4.747 4.707 0.040 25098 5650 1 14 . 1 1 93 93 GLU CA C 93 54.151 54.151 54.683 -0.532 25098 5651 1 14 . 1 1 93 93 GLU CB C 93 33.784 33.784 33.116 0.668 25098 5652 1 14 . 1 1 93 93 GLU H H 93 7.331 7.331 7.835 -0.504 25098 5653 1 14 . 1 1 94 94 GLU N N 94 119.837 119.837 119.414 0.423 25098 5654 1 14 . 1 1 94 94 GLU HA H 94 5.103 5.103 5.224 -0.121 25098 5655 1 14 . 1 1 94 94 GLU CA C 94 55.340 55.340 55.413 -0.073 25098 5656 1 14 . 1 1 94 94 GLU CB C 94 31.196 31.196 31.343 -0.147 25098 5657 1 14 . 1 1 94 94 GLU H H 94 8.418 8.418 8.683 -0.265 25098 5658 1 14 . 1 1 95 95 TYR N N 95 124.949 124.949 125.746 -0.797 25098 5659 1 14 . 1 1 95 95 TYR HA H 95 4.637 4.637 4.810 -0.173 25098 5660 1 14 . 1 1 95 95 TYR CA C 95 58.125 58.125 57.346 0.779 25098 5661 1 14 . 1 1 95 95 TYR CB C 95 43.144 43.144 41.649 1.495 25098 5662 1 14 . 1 1 95 95 TYR H H 95 9.059 9.059 9.195 -0.136 25098 5663 1 14 . 1 1 96 96 VAL N N 96 128.075 128.075 126.705 1.370 25098 5664 1 14 . 1 1 96 96 VAL HA H 96 4.440 4.440 5.029 -0.589 25098 5665 1 14 . 1 1 96 96 VAL CA C 96 61.772 61.772 59.952 1.820 25098 5666 1 14 . 1 1 96 96 VAL CB C 96 32.805 32.805 34.158 -1.353 25098 5667 1 14 . 1 1 96 96 VAL H H 96 7.795 7.795 8.280 -0.485 25098 5668 1 14 . 1 1 97 97 VAL N N 97 129.541 129.541 128.929 0.612 25098 5669 1 14 . 1 1 97 97 VAL HA H 97 3.917 3.917 4.279 -0.362 25098 5670 1 14 . 1 1 97 97 VAL CA C 97 61.821 61.821 60.699 1.122 25098 5671 1 14 . 1 1 97 97 VAL CB C 97 33.313 33.313 32.829 0.484 25098 5672 1 14 . 1 1 97 97 VAL H H 97 9.110 9.110 8.872 0.238 25098 5673 1 14 . 1 1 98 98 GLU N N 98 127.575 127.575 128.993 -1.418 25098 5674 1 14 . 1 1 98 98 GLU HA H 98 5.237 5.237 4.758 0.479 25098 5675 1 14 . 1 1 98 98 GLU CA C 98 54.576 54.576 56.245 -1.669 25098 5676 1 14 . 1 1 98 98 GLU CB C 98 30.995 30.995 30.337 0.658 25098 5677 1 14 . 1 1 98 98 GLU H H 98 8.166 8.166 8.706 -0.540 25098 5678 1 14 . 1 1 99 99 ILE N N 99 118.374 118.374 121.963 -3.589 25098 5679 1 14 . 1 1 99 99 ILE HA H 99 4.386 4.386 4.600 -0.214 25098 5680 1 14 . 1 1 99 99 ILE CA C 99 59.143 59.143 58.903 0.240 25098 5681 1 14 . 1 1 99 99 ILE CB C 99 43.580 43.580 41.902 1.678 25098 5682 1 14 . 1 1 99 99 ILE H H 99 7.881 7.881 8.879 -0.998 25098 5683 1 14 . 1 1 100 100 THR N N 100 119.619 119.619 117.479 2.140 25098 5684 1 14 . 1 1 100 100 THR HA H 100 4.717 4.717 4.915 -0.198 25098 5685 1 14 . 1 1 100 100 THR CA C 100 58.983 58.983 59.228 -0.245 25098 5686 1 14 . 1 1 100 100 THR CB C 100 69.121 69.121 69.150 -0.029 25098 5687 1 14 . 1 1 100 100 THR H H 100 8.885 8.885 8.431 0.454 25098 5688 1 14 . 1 1 101 101 PRO HA H 101 4.620 4.620 4.858 -0.238 25098 5689 1 14 . 1 1 101 101 PRO CA C 101 62.096 62.096 63.059 -0.962 25098 5690 1 14 . 1 1 101 101 PRO CB C 101 32.296 32.296 32.462 -0.166 25098 5691 1 14 . 1 1 102 102 GLU N N 102 124.589 124.589 124.109 0.480 25098 5692 1 14 . 1 1 102 102 GLU HA H 102 4.379 4.379 4.356 0.023 25098 5693 1 14 . 1 1 102 102 GLU CA C 102 56.649 56.649 57.563 -0.914 25098 5694 1 14 . 1 1 102 102 GLU CB C 102 30.740 30.740 30.439 0.301 25098 5695 1 14 . 1 1 102 102 GLU H H 102 8.574 8.574 8.365 0.209 25098 5696 1 14 . 1 1 103 103 GLN N N 103 118.304 118.304 117.177 1.127 25098 5697 1 14 . 1 1 103 103 GLN HA H 103 4.662 4.662 4.579 0.083 25098 5698 1 14 . 1 1 103 103 GLN CA C 103 53.956 53.956 54.742 -0.786 25098 5699 1 14 . 1 1 103 103 GLN CB C 103 31.762 31.762 32.083 -0.321 25098 5700 1 14 . 1 1 103 103 GLN H H 103 8.518 8.518 7.777 0.741 25098 5701 1 14 . 1 1 104 104 ALA N N 104 124.603 124.603 126.458 -1.855 25098 5702 1 14 . 1 1 104 104 ALA HA H 104 4.195 4.195 4.420 -0.225 25098 5703 1 14 . 1 1 104 104 ALA CA C 104 51.886 51.886 51.845 0.041 25098 5704 1 14 . 1 1 104 104 ALA CB C 104 19.377 19.377 19.273 0.104 25098 5705 1 14 . 1 1 104 104 ALA H H 104 8.575 8.575 8.456 0.119 25098 5706 1 14 . 1 1 105 105 GLY N N 105 108.486 108.486 111.154 -2.668 25098 5707 1 14 . 1 1 105 105 GLY CA C 105 44.726 44.726 45.132 -0.406 25098 5708 1 14 . 1 1 105 105 GLY H H 105 8.710 8.710 7.619 1.091 25098 5709 1 14 . 1 1 106 106 GLU N N 106 118.462 118.462 120.557 -2.095 25098 5710 1 14 . 1 1 106 106 GLU HA H 106 5.098 5.098 4.837 0.261 25098 5711 1 14 . 1 1 106 106 GLU CA C 106 54.382 54.382 55.880 -1.498 25098 5712 1 14 . 1 1 106 106 GLU CB C 106 31.878 31.878 30.776 1.102 25098 5713 1 14 . 1 1 106 106 GLU H H 106 7.620 7.620 8.286 -0.666 25098 5714 1 14 . 1 1 107 107 PHE N N 107 123.388 123.388 125.291 -1.903 25098 5715 1 14 . 1 1 107 107 PHE HA H 107 4.999 4.999 4.968 0.031 25098 5716 1 14 . 1 1 107 107 PHE CA C 107 56.623 56.623 55.899 0.724 25098 5717 1 14 . 1 1 107 107 PHE CB C 107 43.035 43.035 42.471 0.564 25098 5718 1 14 . 1 1 107 107 PHE H H 107 9.381 9.381 9.279 0.102 25098 5719 1 14 . 1 1 108 108 SER N N 108 117.621 117.621 114.397 3.224 25098 5720 1 14 . 1 1 108 108 SER HA H 108 5.137 5.137 5.085 0.052 25098 5721 1 14 . 1 1 108 108 SER CA C 108 58.465 58.465 57.781 0.684 25098 5722 1 14 . 1 1 108 108 SER CB C 108 65.864 65.864 66.271 -0.407 25098 5723 1 14 . 1 1 108 108 SER H H 108 8.846 8.846 9.290 -0.444 25098 5724 1 14 . 1 1 109 109 PHE N N 109 116.119 116.119 114.539 1.580 25098 5725 1 14 . 1 1 109 109 PHE HA H 109 5.154 5.154 4.854 0.300 25098 5726 1 14 . 1 1 109 109 PHE CA C 109 55.800 55.800 56.294 -0.494 25098 5727 1 14 . 1 1 109 109 PHE CB C 109 39.858 39.858 41.186 -1.328 25098 5728 1 14 . 1 1 109 109 PHE H H 109 7.646 7.646 8.413 -0.767 25098 5729 1 14 . 1 1 110 110 ALA N N 110 121.615 121.615 123.341 -1.726 25098 5730 1 14 . 1 1 110 110 ALA HA H 110 5.258 5.258 4.899 0.359 25098 5731 1 14 . 1 1 110 110 ALA CA C 110 50.940 50.940 52.232 -1.292 25098 5732 1 14 . 1 1 110 110 ALA CB C 110 24.724 24.724 22.563 2.161 25098 5733 1 14 . 1 1 110 110 ALA H H 110 8.826 8.826 8.010 0.816 25098 5734 1 14 . 1 1 111 111 CYS N N 111 114.162 114.162 119.992 -5.830 25098 5735 1 14 . 1 1 111 111 CYS HA H 111 5.372 5.372 4.823 0.549 25098 5736 1 14 . 1 1 111 111 CYS CA C 111 55.651 55.651 58.804 -3.153 25098 5737 1 14 . 1 1 111 111 CYS CB C 111 33.551 33.551 30.366 3.185 25098 5738 1 14 . 1 1 111 111 CYS H H 111 7.820 7.820 9.023 -1.203 25098 5739 1 14 . 1 1 112 112 GLY N N 112 108.348 108.348 113.894 -5.546 25098 5740 1 14 . 1 1 112 112 GLY H H 112 8.277 8.277 8.408 -0.131 25098 5741 1 14 . 1 1 117 117 HIS N N 117 117.324 117.324 117.438 -0.114 25098 5742 1 14 . 1 1 117 117 HIS HA H 117 4.540 4.540 4.990 -0.450 25098 5743 1 14 . 1 1 117 117 HIS CA C 117 56.897 56.897 55.545 1.352 25098 5744 1 14 . 1 1 117 117 HIS CB C 117 29.675 29.675 31.778 -2.103 25098 5745 1 14 . 1 1 117 117 HIS H H 117 8.670 8.670 8.091 0.579 25098 5746 1 14 . 1 1 118 118 GLY N N 118 109.716 109.716 106.749 2.967 25098 5747 1 14 . 1 1 118 118 GLY CA C 118 43.143 43.143 43.428 -0.285 25098 5748 1 14 . 1 1 118 118 GLY H H 118 8.350 8.350 8.579 -0.229 25098 5749 1 14 . 1 1 119 119 LYS N N 119 120.631 120.631 121.944 -1.313 25098 5750 1 14 . 1 1 119 119 LYS HA H 119 4.949 4.949 4.981 -0.032 25098 5751 1 14 . 1 1 119 119 LYS CA C 119 55.192 55.192 54.497 0.695 25098 5752 1 14 . 1 1 119 119 LYS CB C 119 36.931 36.931 37.016 -0.085 25098 5753 1 14 . 1 1 119 119 LYS H H 119 8.561 8.561 8.956 -0.395 25098 5754 1 14 . 1 1 120 120 MET N N 120 123.525 123.525 123.416 0.109 25098 5755 1 14 . 1 1 120 120 MET HA H 120 5.565 5.565 5.378 0.187 25098 5756 1 14 . 1 1 120 120 MET CA C 120 53.142 53.142 54.594 -1.452 25098 5757 1 14 . 1 1 120 120 MET CB C 120 37.448 37.448 37.522 -0.073 25098 5758 1 14 . 1 1 120 120 MET H H 120 9.329 9.329 9.274 0.055 25098 5759 1 14 . 1 1 121 121 ILE N N 121 127.707 127.707 126.572 1.135 25098 5760 1 14 . 1 1 121 121 ILE HA H 121 4.890 4.890 4.760 0.130 25098 5761 1 14 . 1 1 121 121 ILE CA C 121 60.048 60.048 60.168 -0.120 25098 5762 1 14 . 1 1 121 121 ILE CB C 121 39.806 39.806 39.898 -0.092 25098 5763 1 14 . 1 1 121 121 ILE H H 121 9.471 9.471 9.242 0.229 25098 5764 1 14 . 1 1 122 122 VAL N N 122 127.738 127.738 128.144 -0.406 25098 5765 1 14 . 1 1 122 122 VAL HA H 122 4.994 4.994 4.943 0.051 25098 5766 1 14 . 1 1 122 122 VAL CA C 122 60.618 60.618 61.606 -0.988 25098 5767 1 14 . 1 1 122 122 VAL CB C 122 33.297 33.297 32.623 0.674 25098 5768 1 14 . 1 1 122 122 VAL H H 122 9.350 9.350 8.480 0.870 25098 5769 1 15 . 1 1 28 28 MET N N 28 119.966 119.966 122.439 -2.473 25098 5770 1 15 . 1 1 28 28 MET H H 28 8.438 8.438 8.310 0.128 25098 5771 1 15 . 1 1 29 29 GLY N N 29 109.326 109.326 109.213 0.113 25098 5772 1 15 . 1 1 29 29 GLY CA C 29 44.803 44.803 44.399 0.404 25098 5773 1 15 . 1 1 29 29 GLY H H 29 8.343 8.343 7.939 0.404 25098 5774 1 15 . 1 1 30 30 GLN N N 30 121.171 121.171 120.509 0.662 25098 5775 1 15 . 1 1 30 30 GLN HA H 30 4.548 4.548 4.686 -0.138 25098 5776 1 15 . 1 1 30 30 GLN CA C 30 54.981 54.981 54.675 0.306 25098 5777 1 15 . 1 1 30 30 GLN CB C 30 30.824 30.824 32.267 -1.443 25098 5778 1 15 . 1 1 30 30 GLN H H 30 8.174 8.174 8.780 -0.606 25098 5779 1 15 . 1 1 31 31 LYS N N 31 125.160 125.160 126.702 -1.542 25098 5780 1 15 . 1 1 31 31 LYS HA H 31 4.829 4.829 4.353 0.476 25098 5781 1 15 . 1 1 31 31 LYS CA C 31 55.952 55.952 55.930 0.022 25098 5782 1 15 . 1 1 31 31 LYS CB C 31 33.322 33.322 33.370 -0.048 25098 5783 1 15 . 1 1 31 31 LYS H H 31 8.713 8.713 8.803 -0.090 25098 5784 1 15 . 1 1 32 32 ALA N N 32 123.842 123.842 130.155 -6.313 25098 5785 1 15 . 1 1 32 32 ALA HA H 32 4.125 4.125 4.223 -0.098 25098 5786 1 15 . 1 1 32 32 ALA CA C 32 52.301 52.301 52.171 0.130 25098 5787 1 15 . 1 1 32 32 ALA CB C 32 18.956 18.956 19.943 -0.987 25098 5788 1 15 . 1 1 32 32 ALA H H 32 8.152 8.152 8.294 -0.142 25098 5789 1 15 . 1 1 33 33 GLN N N 33 121.807 121.807 121.459 0.348 25098 5790 1 15 . 1 1 33 33 GLN HA H 33 4.380 4.380 4.362 0.018 25098 5791 1 15 . 1 1 33 33 GLN CA C 33 55.299 55.299 55.435 -0.136 25098 5792 1 15 . 1 1 33 33 GLN CB C 33 29.835 29.835 29.806 0.029 25098 5793 1 15 . 1 1 33 33 GLN H H 33 8.808 8.808 8.436 0.372 25098 5794 1 15 . 1 1 34 34 GLN N N 34 124.320 124.320 123.402 0.918 25098 5795 1 15 . 1 1 34 34 GLN HA H 34 4.212 4.212 4.352 -0.140 25098 5796 1 15 . 1 1 34 34 GLN CA C 34 55.368 55.368 55.285 0.083 25098 5797 1 15 . 1 1 34 34 GLN CB C 34 27.615 27.615 29.425 -1.810 25098 5798 1 15 . 1 1 34 34 GLN H H 34 9.025 9.025 8.480 0.545 25098 5799 1 15 . 1 1 35 35 LYS N N 35 126.662 126.662 123.629 3.033 25098 5800 1 15 . 1 1 35 35 LYS HA H 35 4.441 4.441 4.285 0.156 25098 5801 1 15 . 1 1 35 35 LYS CA C 35 54.126 54.126 54.159 -0.033 25098 5802 1 15 . 1 1 35 35 LYS CB C 35 31.475 31.475 32.791 -1.316 25098 5803 1 15 . 1 1 35 35 LYS H H 35 8.479 8.479 8.561 -0.082 25098 5804 1 15 . 1 1 36 36 ASN N N 36 118.026 118.026 118.801 -0.775 25098 5805 1 15 . 1 1 36 36 ASN HA H 36 4.611 4.611 4.562 0.049 25098 5806 1 15 . 1 1 36 36 ASN CA C 36 53.478 53.478 53.801 -0.323 25098 5807 1 15 . 1 1 36 36 ASN CB C 36 36.839 36.839 37.086 -0.247 25098 5808 1 15 . 1 1 36 36 ASN H H 36 8.062 8.062 8.251 -0.189 25098 5809 1 15 . 1 1 37 37 GLY N N 37 111.719 111.719 108.029 3.690 25098 5810 1 15 . 1 1 37 37 GLY CA C 37 45.230 45.230 45.583 -0.353 25098 5811 1 15 . 1 1 37 37 GLY H H 37 8.285 8.285 8.156 0.129 25098 5812 1 15 . 1 1 38 38 TYR N N 38 114.733 114.733 114.423 0.310 25098 5813 1 15 . 1 1 38 38 TYR HA H 38 5.107 5.107 5.257 -0.150 25098 5814 1 15 . 1 1 38 38 TYR CA C 38 55.398 55.398 55.241 0.157 25098 5815 1 15 . 1 1 38 38 TYR CB C 38 39.246 39.246 40.283 -1.037 25098 5816 1 15 . 1 1 38 38 TYR H H 38 7.158 7.158 7.189 -0.031 25098 5817 1 15 . 1 1 39 39 GLN N N 39 117.964 117.964 117.605 0.359 25098 5818 1 15 . 1 1 39 39 GLN HA H 39 5.472 5.472 5.070 0.402 25098 5819 1 15 . 1 1 39 39 GLN CA C 39 52.396 52.396 53.880 -1.484 25098 5820 1 15 . 1 1 39 39 GLN CB C 39 30.812 30.812 32.444 -1.631 25098 5821 1 15 . 1 1 39 39 GLN H H 39 9.401 9.401 8.900 0.501 25098 5822 1 15 . 1 1 40 40 GLU N N 40 123.527 123.527 121.185 2.342 25098 5823 1 15 . 1 1 40 40 GLU HA H 40 5.809 5.809 5.583 0.226 25098 5824 1 15 . 1 1 40 40 GLU CA C 40 54.574 54.574 54.762 -0.188 25098 5825 1 15 . 1 1 40 40 GLU CB C 40 35.999 35.999 34.432 1.567 25098 5826 1 15 . 1 1 40 40 GLU H H 40 9.027 9.027 8.903 0.124 25098 5827 1 15 . 1 1 41 41 ILE N N 41 124.884 124.884 122.427 2.457 25098 5828 1 15 . 1 1 41 41 ILE HA H 41 4.686 4.686 4.509 0.177 25098 5829 1 15 . 1 1 41 41 ILE CA C 41 59.126 59.126 60.296 -1.170 25098 5830 1 15 . 1 1 41 41 ILE CB C 41 42.658 42.658 42.045 0.613 25098 5831 1 15 . 1 1 41 41 ILE H H 41 8.503 8.503 8.271 0.232 25098 5832 1 15 . 1 1 42 42 ARG N N 42 127.316 127.316 129.023 -1.707 25098 5833 1 15 . 1 1 42 42 ARG HA H 42 5.136 5.136 4.604 0.532 25098 5834 1 15 . 1 1 42 42 ARG CA C 42 54.461 54.461 55.879 -1.418 25098 5835 1 15 . 1 1 42 42 ARG CB C 42 32.141 32.141 30.627 1.514 25098 5836 1 15 . 1 1 42 42 ARG H H 42 7.942 7.942 8.612 -0.670 25098 5837 1 15 . 1 1 43 43 VAL N N 43 126.060 126.060 128.677 -2.617 25098 5838 1 15 . 1 1 43 43 VAL HA H 43 4.357 4.357 4.180 0.177 25098 5839 1 15 . 1 1 43 43 VAL CA C 43 61.020 61.020 60.206 0.814 25098 5840 1 15 . 1 1 43 43 VAL CB C 43 34.375 34.375 31.978 2.397 25098 5841 1 15 . 1 1 43 43 VAL H H 43 9.158 9.158 9.046 0.112 25098 5842 1 15 . 1 1 44 44 GLU N N 44 127.592 127.592 129.066 -1.474 25098 5843 1 15 . 1 1 44 44 GLU HA H 44 4.782 4.782 4.359 0.423 25098 5844 1 15 . 1 1 44 44 GLU CA C 44 55.944 55.944 56.615 -0.671 25098 5845 1 15 . 1 1 44 44 GLU CB C 44 31.779 31.779 30.069 1.710 25098 5846 1 15 . 1 1 44 44 GLU H H 44 9.086 9.086 8.914 0.172 25098 5847 1 15 . 1 1 45 45 VAL N N 45 126.323 126.323 128.567 -2.244 25098 5848 1 15 . 1 1 45 45 VAL HA H 45 4.910 4.910 4.759 0.151 25098 5849 1 15 . 1 1 45 45 VAL CA C 45 61.122 61.122 62.094 -0.973 25098 5850 1 15 . 1 1 45 45 VAL CB C 45 31.501 31.501 31.629 -0.128 25098 5851 1 15 . 1 1 45 45 VAL H H 45 8.617 8.617 9.035 -0.418 25098 5852 1 15 . 1 1 46 46 MET N N 46 127.658 127.658 124.228 3.430 25098 5853 1 15 . 1 1 46 46 MET HA H 46 4.755 4.755 4.825 -0.070 25098 5854 1 15 . 1 1 46 46 MET CA C 46 55.999 55.999 54.288 1.711 25098 5855 1 15 . 1 1 46 46 MET CB C 46 32.530 32.530 33.029 -0.499 25098 5856 1 15 . 1 1 46 46 MET H H 46 8.319 8.319 8.184 0.136 25098 5857 1 15 . 1 1 47 47 GLY N N 47 119.231 119.231 108.321 10.910 25098 5858 1 15 . 1 1 47 47 GLY CA C 47 46.863 46.863 45.477 1.387 25098 5859 1 15 . 1 1 47 47 GLY H H 47 10.065 10.065 8.458 1.607 25098 5860 1 15 . 1 1 48 48 GLY N N 48 102.924 102.924 105.311 -2.387 25098 5861 1 15 . 1 1 48 48 GLY CA C 48 43.176 43.176 44.055 -0.879 25098 5862 1 15 . 1 1 48 48 GLY H H 48 6.639 6.639 7.486 -0.847 25098 5863 1 15 . 1 1 49 49 TYR N N 49 120.115 120.115 119.170 0.945 25098 5864 1 15 . 1 1 49 49 TYR HA H 49 5.267 5.267 4.989 0.278 25098 5865 1 15 . 1 1 49 49 TYR CA C 49 56.991 56.991 57.302 -0.311 25098 5866 1 15 . 1 1 49 49 TYR CB C 49 40.490 40.490 38.211 2.279 25098 5867 1 15 . 1 1 49 49 TYR H H 49 8.364 8.364 8.493 -0.129 25098 5868 1 15 . 1 1 50 50 THR N N 50 117.545 117.545 119.278 -1.733 25098 5869 1 15 . 1 1 50 50 THR HA H 50 4.742 4.742 4.373 0.369 25098 5870 1 15 . 1 1 50 50 THR CA C 50 59.224 59.224 64.892 -5.668 25098 5871 1 15 . 1 1 50 50 THR CB C 50 71.576 71.576 67.555 4.021 25098 5872 1 15 . 1 1 50 50 THR H H 50 8.574 8.574 8.371 0.203 25098 5873 1 15 . 1 1 51 51 PRO HA H 51 4.928 4.928 4.533 0.395 25098 5874 1 15 . 1 1 51 51 PRO CA C 51 63.206 63.206 62.985 0.221 25098 5875 1 15 . 1 1 51 51 PRO CB C 51 34.946 34.946 31.015 3.931 25098 5876 1 15 . 1 1 52 52 GLU N N 52 114.661 114.661 121.369 -6.708 25098 5877 1 15 . 1 1 52 52 GLU HA H 52 4.468 4.468 4.047 0.421 25098 5878 1 15 . 1 1 52 52 GLU CA C 52 55.828 55.828 59.031 -3.203 25098 5879 1 15 . 1 1 52 52 GLU CB C 52 30.239 30.239 29.878 0.361 25098 5880 1 15 . 1 1 52 52 GLU H H 52 8.351 8.351 8.456 -0.105 25098 5881 1 15 . 1 1 53 53 LEU N N 53 123.273 123.273 116.477 6.796 25098 5882 1 15 . 1 1 53 53 LEU HA H 53 5.504 5.504 5.507 -0.003 25098 5883 1 15 . 1 1 53 53 LEU CA C 53 54.005 54.005 52.247 1.758 25098 5884 1 15 . 1 1 53 53 LEU CB C 53 44.276 44.276 44.056 0.220 25098 5885 1 15 . 1 1 53 53 LEU H H 53 7.476 7.476 7.349 0.127 25098 5886 1 15 . 1 1 54 54 ILE N N 54 121.159 121.159 120.258 0.901 25098 5887 1 15 . 1 1 54 54 ILE HA H 54 5.238 5.238 5.314 -0.076 25098 5888 1 15 . 1 1 54 54 ILE CA C 54 59.006 59.006 59.215 -0.209 25098 5889 1 15 . 1 1 54 54 ILE CB C 54 41.979 41.979 39.011 2.968 25098 5890 1 15 . 1 1 54 54 ILE H H 54 8.732 8.732 9.196 -0.464 25098 5891 1 15 . 1 1 55 55 VAL N N 55 123.295 123.295 126.889 -3.594 25098 5892 1 15 . 1 1 55 55 VAL HA H 55 5.138 5.138 5.024 0.114 25098 5893 1 15 . 1 1 55 55 VAL CA C 55 61.216 61.216 61.775 -0.559 25098 5894 1 15 . 1 1 55 55 VAL CB C 55 33.376 33.376 32.582 0.794 25098 5895 1 15 . 1 1 55 55 VAL H H 55 8.456 8.456 8.792 -0.336 25098 5896 1 15 . 1 1 56 56 LEU N N 56 129.681 129.681 127.499 2.182 25098 5897 1 15 . 1 1 56 56 LEU HA H 56 4.637 4.637 4.777 -0.140 25098 5898 1 15 . 1 1 56 56 LEU CA C 56 53.044 53.044 53.406 -0.362 25098 5899 1 15 . 1 1 56 56 LEU CB C 56 45.712 45.712 45.897 -0.185 25098 5900 1 15 . 1 1 56 56 LEU H H 56 9.646 9.646 9.234 0.412 25098 5901 1 15 . 1 1 57 57 LYS N N 57 121.874 121.874 118.987 2.887 25098 5902 1 15 . 1 1 57 57 LYS HA H 57 4.815 4.815 4.504 0.311 25098 5903 1 15 . 1 1 57 57 LYS CA C 57 55.095 55.095 55.627 -0.532 25098 5904 1 15 . 1 1 57 57 LYS CB C 57 33.701 33.701 34.257 -0.556 25098 5905 1 15 . 1 1 57 57 LYS H H 57 9.619 9.619 8.350 1.269 25098 5906 1 15 . 1 1 58 58 LYS N N 58 124.865 124.865 121.619 3.246 25098 5907 1 15 . 1 1 58 58 LYS HA H 58 3.714 3.714 4.591 -0.877 25098 5908 1 15 . 1 1 58 58 LYS CA C 58 57.532 57.532 55.529 2.003 25098 5909 1 15 . 1 1 58 58 LYS CB C 58 33.246 33.246 33.812 -0.566 25098 5910 1 15 . 1 1 58 58 LYS H H 58 8.793 8.793 8.043 0.750 25098 5911 1 15 . 1 1 59 59 SER N N 59 113.482 113.482 117.987 -4.505 25098 5912 1 15 . 1 1 59 59 SER HA H 59 4.084 4.084 4.080 0.004 25098 5913 1 15 . 1 1 59 59 SER CA C 59 61.005 61.005 59.815 1.190 25098 5914 1 15 . 1 1 59 59 SER CB C 59 60.917 60.917 62.603 -1.686 25098 5915 1 15 . 1 1 59 59 SER H H 59 8.946 8.946 9.095 -0.149 25098 5916 1 15 . 1 1 60 60 VAL N N 60 123.081 123.081 120.969 2.112 25098 5917 1 15 . 1 1 60 60 VAL HA H 60 4.448 4.448 4.583 -0.135 25098 5918 1 15 . 1 1 60 60 VAL CA C 60 59.101 59.101 58.488 0.613 25098 5919 1 15 . 1 1 60 60 VAL CB C 60 33.818 33.818 34.748 -0.930 25098 5920 1 15 . 1 1 60 60 VAL H H 60 6.974 6.974 7.466 -0.492 25098 5921 1 15 . 1 1 61 61 PRO HA H 61 4.405 4.405 4.584 -0.179 25098 5922 1 15 . 1 1 61 61 PRO CA C 61 64.752 64.752 63.050 1.702 25098 5923 1 15 . 1 1 61 61 PRO CB C 61 32.273 32.273 31.154 1.119 25098 5924 1 15 . 1 1 62 62 ALA N N 62 124.881 124.881 126.524 -1.643 25098 5925 1 15 . 1 1 62 62 ALA HA H 62 5.452 5.452 5.337 0.115 25098 5926 1 15 . 1 1 62 62 ALA CA C 62 49.746 49.746 50.251 -0.505 25098 5927 1 15 . 1 1 62 62 ALA CB C 62 22.483 22.483 22.777 -0.294 25098 5928 1 15 . 1 1 62 62 ALA H H 62 9.244 9.244 9.146 0.098 25098 5929 1 15 . 1 1 63 63 ARG N N 63 122.869 122.869 122.320 0.549 25098 5930 1 15 . 1 1 63 63 ARG HA H 63 4.498 4.498 5.440 -0.942 25098 5931 1 15 . 1 1 63 63 ARG CA C 63 55.022 55.022 53.553 1.468 25098 5932 1 15 . 1 1 63 63 ARG CB C 63 31.637 31.637 32.914 -1.277 25098 5933 1 15 . 1 1 63 63 ARG H H 63 8.858 8.858 9.132 -0.274 25098 5934 1 15 . 1 1 64 64 ILE N N 64 125.797 125.797 124.950 0.847 25098 5935 1 15 . 1 1 64 64 ILE HA H 64 4.367 4.367 4.326 0.041 25098 5936 1 15 . 1 1 64 64 ILE CA C 64 60.028 60.028 58.488 1.540 25098 5937 1 15 . 1 1 64 64 ILE CB C 64 37.499 37.499 37.106 0.393 25098 5938 1 15 . 1 1 64 64 ILE H H 64 9.033 9.033 8.830 0.203 25098 5939 1 15 . 1 1 65 65 VAL N N 65 127.998 127.998 128.666 -0.668 25098 5940 1 15 . 1 1 65 65 VAL HA H 65 4.122 4.122 4.171 -0.049 25098 5941 1 15 . 1 1 65 65 VAL CA C 65 61.697 61.697 62.365 -0.668 25098 5942 1 15 . 1 1 65 65 VAL CB C 65 32.480 32.480 31.482 0.998 25098 5943 1 15 . 1 1 65 65 VAL H H 65 8.800 8.800 8.863 -0.063 25098 5944 1 15 . 1 1 66 66 PHE N N 66 126.431 126.431 128.589 -2.158 25098 5945 1 15 . 1 1 66 66 PHE HA H 66 5.190 5.190 5.227 -0.037 25098 5946 1 15 . 1 1 66 66 PHE CA C 66 58.012 58.012 57.087 0.925 25098 5947 1 15 . 1 1 66 66 PHE CB C 66 41.731 41.731 40.596 1.135 25098 5948 1 15 . 1 1 66 66 PHE H H 66 9.536 9.536 9.443 0.093 25098 5949 1 15 . 1 1 67 67 ASP N N 67 123.469 123.469 125.153 -1.684 25098 5950 1 15 . 1 1 67 67 ASP HA H 67 4.986 4.986 5.037 -0.051 25098 5951 1 15 . 1 1 67 67 ASP CA C 67 52.158 52.158 53.209 -1.051 25098 5952 1 15 . 1 1 67 67 ASP CB C 67 42.083 42.083 42.744 -0.661 25098 5953 1 15 . 1 1 67 67 ASP H H 67 8.806 8.806 8.973 -0.167 25098 5954 1 15 . 1 1 68 68 ARG N N 68 124.864 124.864 128.496 -3.632 25098 5955 1 15 . 1 1 68 68 ARG HA H 68 4.760 4.760 4.324 0.436 25098 5956 1 15 . 1 1 68 68 ARG CA C 68 58.018 58.018 56.303 1.715 25098 5957 1 15 . 1 1 68 68 ARG CB C 68 30.605 30.605 29.794 0.811 25098 5958 1 15 . 1 1 68 68 ARG H H 68 8.598 8.598 8.067 0.531 25098 5959 1 15 . 1 1 69 69 LYS N N 69 126.910 126.910 126.882 0.028 25098 5960 1 15 . 1 1 69 69 LYS HA H 69 4.662 4.662 4.398 0.264 25098 5961 1 15 . 1 1 69 69 LYS CA C 69 55.222 55.222 56.693 -1.471 25098 5962 1 15 . 1 1 69 69 LYS CB C 69 34.788 34.788 33.388 1.400 25098 5963 1 15 . 1 1 69 69 LYS H H 69 8.348 8.348 8.913 -0.565 25098 5964 1 15 . 1 1 70 70 ASP N N 70 119.420 119.420 119.247 0.173 25098 5965 1 15 . 1 1 70 70 ASP HA H 70 5.085 5.085 4.975 0.110 25098 5966 1 15 . 1 1 70 70 ASP CA C 70 49.872 49.872 50.942 -1.070 25098 5967 1 15 . 1 1 70 70 ASP CB C 70 45.194 45.194 42.843 2.351 25098 5968 1 15 . 1 1 70 70 ASP H H 70 6.675 6.675 7.850 -1.175 25098 5969 1 15 . 1 1 71 71 PRO HA H 71 4.589 4.589 4.567 0.022 25098 5970 1 15 . 1 1 71 71 PRO CA C 71 63.781 63.781 62.328 1.453 25098 5971 1 15 . 1 1 72 72 SER N N 72 121.578 121.578 117.644 3.934 25098 5972 1 15 . 1 1 72 72 SER HA H 72 4.462 4.462 4.529 -0.067 25098 5973 1 15 . 1 1 72 72 SER CA C 72 57.029 57.029 56.803 0.226 25098 5974 1 15 . 1 1 72 72 SER CB C 72 63.781 63.781 63.185 0.596 25098 5975 1 15 . 1 1 72 72 SER H H 72 8.624 8.624 7.691 0.933 25098 5976 1 15 . 1 1 73 73 PRO HA H 73 4.348 4.348 4.338 0.010 25098 5977 1 15 . 1 1 73 73 PRO CA C 73 64.297 64.297 65.123 -0.826 25098 5978 1 15 . 1 1 74 74 CYS N N 74 114.456 114.456 114.521 -0.065 25098 5979 1 15 . 1 1 74 74 CYS HA H 74 4.320 4.320 4.461 -0.141 25098 5980 1 15 . 1 1 74 74 CYS CA C 74 60.192 60.192 57.665 2.527 25098 5981 1 15 . 1 1 74 74 CYS CB C 74 27.035 27.035 25.882 1.153 25098 5982 1 15 . 1 1 74 74 CYS H H 74 8.010 8.010 8.212 -0.202 25098 5983 1 15 . 1 1 75 75 LEU N N 75 120.476 120.476 118.925 1.551 25098 5984 1 15 . 1 1 75 75 LEU HA H 75 4.546 4.546 4.459 0.087 25098 5985 1 15 . 1 1 75 75 LEU CA C 75 53.987 53.987 54.055 -0.068 25098 5986 1 15 . 1 1 75 75 LEU CB C 75 41.083 41.083 42.194 -1.111 25098 5987 1 15 . 1 1 75 75 LEU H H 75 7.629 7.629 7.436 0.193 25098 5988 1 15 . 1 1 76 76 ASP N N 76 117.861 117.861 119.108 -1.247 25098 5989 1 15 . 1 1 76 76 ASP HA H 76 4.466 4.466 4.394 0.072 25098 5990 1 15 . 1 1 76 76 ASP CB C 76 41.608 41.608 42.184 -0.576 25098 5991 1 15 . 1 1 76 76 ASP H H 76 7.465 7.465 7.444 0.021 25098 5992 1 15 . 1 1 77 77 GLN HA H 77 5.368 5.368 4.846 0.522 25098 5993 1 15 . 1 1 77 77 GLN CA C 77 53.830 53.830 54.643 -0.813 25098 5994 1 15 . 1 1 77 77 GLN CB C 77 33.290 33.290 32.739 0.551 25098 5995 1 15 . 1 1 78 78 ILE N N 78 123.134 123.134 121.889 1.245 25098 5996 1 15 . 1 1 78 78 ILE HA H 78 4.893 4.893 4.449 0.444 25098 5997 1 15 . 1 1 78 78 ILE CA C 78 56.862 56.862 60.123 -3.261 25098 5998 1 15 . 1 1 78 78 ILE CB C 78 42.611 42.611 41.823 0.788 25098 5999 1 15 . 1 1 78 78 ILE H H 78 9.043 9.043 8.916 0.127 25098 6000 1 15 . 1 1 79 79 VAL N N 79 125.068 125.068 128.176 -3.108 25098 6001 1 15 . 1 1 79 79 VAL HA H 79 4.911 4.911 5.400 -0.489 25098 6002 1 15 . 1 1 79 79 VAL CB C 79 35.336 35.336 35.342 -0.006 25098 6003 1 15 . 1 1 79 79 VAL H H 79 8.911 8.911 8.155 0.756 25098 6004 1 15 . 1 1 80 80 PHE N N 80 123.479 123.479 128.129 -4.650 25098 6005 1 15 . 1 1 80 80 PHE HA H 80 5.574 5.574 5.281 0.293 25098 6006 1 15 . 1 1 80 80 PHE CA C 80 53.684 53.684 55.826 -2.142 25098 6007 1 15 . 1 1 80 80 PHE CB C 80 39.905 39.905 39.200 0.705 25098 6008 1 15 . 1 1 80 80 PHE H H 80 8.628 8.628 9.612 -0.984 25098 6009 1 15 . 1 1 81 81 PRO HA H 81 4.427 4.427 4.449 -0.022 25098 6010 1 15 . 1 1 81 81 PRO CA C 81 65.254 65.254 64.565 0.689 25098 6011 1 15 . 1 1 81 81 PRO CB C 81 32.319 32.319 31.685 0.634 25098 6012 1 15 . 1 1 82 82 ASP N N 82 114.119 114.119 116.893 -2.774 25098 6013 1 15 . 1 1 82 82 ASP HA H 82 4.484 4.484 4.781 -0.297 25098 6014 1 15 . 1 1 82 82 ASP CA C 82 55.569 55.569 55.440 0.129 25098 6015 1 15 . 1 1 82 82 ASP CB C 82 41.625 41.625 41.683 -0.058 25098 6016 1 15 . 1 1 82 82 ASP H H 82 8.692 8.692 8.632 0.060 25098 6017 1 15 . 1 1 83 83 PHE N N 83 113.198 113.198 118.539 -5.341 25098 6018 1 15 . 1 1 83 83 PHE HA H 83 4.618 4.618 4.722 -0.104 25098 6019 1 15 . 1 1 83 83 PHE CA C 83 57.454 57.454 58.601 -1.147 25098 6020 1 15 . 1 1 83 83 PHE CB C 83 41.445 41.445 40.800 0.645 25098 6021 1 15 . 1 1 83 83 PHE H H 83 7.434 7.434 7.779 -0.345 25098 6022 1 15 . 1 1 84 84 GLY N N 84 108.212 108.212 109.096 -0.884 25098 6023 1 15 . 1 1 84 84 GLY CA C 84 46.552 46.552 45.580 0.972 25098 6024 1 15 . 1 1 84 84 GLY H H 84 7.677 7.677 8.619 -0.942 25098 6025 1 15 . 1 1 85 85 VAL N N 85 117.875 117.875 122.792 -4.917 25098 6026 1 15 . 1 1 85 85 VAL HA H 85 4.270 4.270 4.182 0.088 25098 6027 1 15 . 1 1 85 85 VAL CA C 85 61.664 61.664 60.679 0.985 25098 6028 1 15 . 1 1 85 85 VAL CB C 85 34.286 34.286 32.682 1.604 25098 6029 1 15 . 1 1 85 85 VAL H H 85 7.075 7.075 7.491 -0.416 25098 6030 1 15 . 1 1 86 86 HIS N N 86 129.355 129.355 124.797 4.558 25098 6031 1 15 . 1 1 86 86 HIS HA H 86 5.204 5.204 5.545 -0.341 25098 6032 1 15 . 1 1 86 86 HIS CA C 86 55.513 55.513 53.208 2.305 25098 6033 1 15 . 1 1 86 86 HIS CB C 86 31.131 31.131 30.372 0.760 25098 6034 1 15 . 1 1 86 86 HIS H H 86 8.921 8.921 8.328 0.593 25098 6035 1 15 . 1 1 87 87 ALA N N 87 126.717 126.717 128.081 -1.364 25098 6036 1 15 . 1 1 87 87 ALA HA H 87 4.749 4.749 4.795 -0.046 25098 6037 1 15 . 1 1 87 87 ALA CA C 87 50.886 50.886 50.365 0.521 25098 6038 1 15 . 1 1 87 87 ALA CB C 87 22.088 22.088 22.830 -0.742 25098 6039 1 15 . 1 1 87 87 ALA H H 87 8.799 8.799 9.231 -0.432 25098 6040 1 15 . 1 1 88 88 ASN N N 88 119.348 119.348 118.051 1.297 25098 6041 1 15 . 1 1 88 88 ASN HA H 88 5.125 5.125 5.106 0.019 25098 6042 1 15 . 1 1 88 88 ASN CA C 88 51.796 51.796 52.102 -0.306 25098 6043 1 15 . 1 1 88 88 ASN CB C 88 39.015 39.015 40.824 -1.809 25098 6044 1 15 . 1 1 88 88 ASN H H 88 8.230 8.230 8.246 -0.016 25098 6045 1 15 . 1 1 89 89 LEU N N 89 122.766 122.766 122.363 0.403 25098 6046 1 15 . 1 1 89 89 LEU HA H 89 4.440 4.440 4.739 -0.299 25098 6047 1 15 . 1 1 89 89 LEU CA C 89 50.791 50.791 51.814 -1.023 25098 6048 1 15 . 1 1 89 89 LEU CB C 89 42.662 42.662 42.380 0.282 25098 6049 1 15 . 1 1 89 89 LEU H H 89 8.356 8.356 8.725 -0.369 25098 6050 1 15 . 1 1 90 90 PRO HA H 90 4.434 4.434 4.495 -0.061 25098 6051 1 15 . 1 1 90 90 PRO CA C 90 61.669 61.669 62.218 -0.549 25098 6052 1 15 . 1 1 91 91 MET N N 91 121.751 121.751 125.025 -3.274 25098 6053 1 15 . 1 1 91 91 MET HA H 91 4.144 4.144 4.126 0.018 25098 6054 1 15 . 1 1 91 91 MET CA C 91 55.460 55.460 55.173 0.287 25098 6055 1 15 . 1 1 91 91 MET CB C 91 30.951 30.951 32.357 -1.406 25098 6056 1 15 . 1 1 91 91 MET H H 91 8.709 8.709 8.475 0.234 25098 6057 1 15 . 1 1 92 92 GLY N N 92 112.856 112.856 114.241 -1.385 25098 6058 1 15 . 1 1 92 92 GLY CA C 92 46.265 46.265 45.059 1.206 25098 6059 1 15 . 1 1 92 92 GLY H H 92 8.325 8.325 8.706 -0.381 25098 6060 1 15 . 1 1 93 93 GLU N N 93 116.930 116.930 119.130 -2.200 25098 6061 1 15 . 1 1 93 93 GLU HA H 93 4.747 4.747 4.712 0.035 25098 6062 1 15 . 1 1 93 93 GLU CA C 93 54.151 54.151 54.676 -0.525 25098 6063 1 15 . 1 1 93 93 GLU CB C 93 33.784 33.784 33.104 0.680 25098 6064 1 15 . 1 1 93 93 GLU H H 93 7.331 7.331 7.851 -0.520 25098 6065 1 15 . 1 1 94 94 GLU N N 94 119.837 119.837 119.304 0.533 25098 6066 1 15 . 1 1 94 94 GLU HA H 94 5.103 5.103 5.245 -0.142 25098 6067 1 15 . 1 1 94 94 GLU CA C 94 55.340 55.340 55.379 -0.039 25098 6068 1 15 . 1 1 94 94 GLU CB C 94 31.196 31.196 31.541 -0.345 25098 6069 1 15 . 1 1 94 94 GLU H H 94 8.418 8.418 8.664 -0.246 25098 6070 1 15 . 1 1 95 95 TYR N N 95 124.949 124.949 126.177 -1.228 25098 6071 1 15 . 1 1 95 95 TYR HA H 95 4.637 4.637 4.817 -0.180 25098 6072 1 15 . 1 1 95 95 TYR CA C 95 58.125 58.125 57.389 0.736 25098 6073 1 15 . 1 1 95 95 TYR CB C 95 43.144 43.144 41.802 1.342 25098 6074 1 15 . 1 1 95 95 TYR H H 95 9.059 9.059 9.325 -0.266 25098 6075 1 15 . 1 1 96 96 VAL N N 96 128.075 128.075 126.856 1.219 25098 6076 1 15 . 1 1 96 96 VAL HA H 96 4.440 4.440 4.956 -0.516 25098 6077 1 15 . 1 1 96 96 VAL CA C 96 61.772 61.772 60.141 1.631 25098 6078 1 15 . 1 1 96 96 VAL CB C 96 32.805 32.805 34.234 -1.429 25098 6079 1 15 . 1 1 96 96 VAL H H 96 7.795 7.795 8.278 -0.483 25098 6080 1 15 . 1 1 97 97 VAL N N 97 129.541 129.541 129.672 -0.131 25098 6081 1 15 . 1 1 97 97 VAL HA H 97 3.917 3.917 4.268 -0.351 25098 6082 1 15 . 1 1 97 97 VAL CA C 97 61.821 61.821 61.263 0.558 25098 6083 1 15 . 1 1 97 97 VAL CB C 97 33.313 33.313 33.329 -0.016 25098 6084 1 15 . 1 1 97 97 VAL H H 97 9.110 9.110 8.944 0.166 25098 6085 1 15 . 1 1 98 98 GLU N N 98 127.575 127.575 129.165 -1.590 25098 6086 1 15 . 1 1 98 98 GLU HA H 98 5.237 5.237 4.758 0.479 25098 6087 1 15 . 1 1 98 98 GLU CA C 98 54.576 54.576 56.208 -1.632 25098 6088 1 15 . 1 1 98 98 GLU CB C 98 30.995 30.995 30.338 0.657 25098 6089 1 15 . 1 1 98 98 GLU H H 98 8.166 8.166 8.707 -0.541 25098 6090 1 15 . 1 1 99 99 ILE N N 99 118.374 118.374 121.997 -3.623 25098 6091 1 15 . 1 1 99 99 ILE HA H 99 4.386 4.386 4.576 -0.190 25098 6092 1 15 . 1 1 99 99 ILE CA C 99 59.143 59.143 58.871 0.272 25098 6093 1 15 . 1 1 99 99 ILE CB C 99 43.580 43.580 41.880 1.700 25098 6094 1 15 . 1 1 99 99 ILE H H 99 7.881 7.881 8.865 -0.984 25098 6095 1 15 . 1 1 100 100 THR N N 100 119.619 119.619 117.455 2.164 25098 6096 1 15 . 1 1 100 100 THR HA H 100 4.717 4.717 4.857 -0.140 25098 6097 1 15 . 1 1 100 100 THR CA C 100 58.983 58.983 59.181 -0.198 25098 6098 1 15 . 1 1 100 100 THR CB C 100 69.121 69.121 69.121 0.000 25098 6099 1 15 . 1 1 100 100 THR H H 100 8.885 8.885 8.383 0.502 25098 6100 1 15 . 1 1 101 101 PRO HA H 101 4.620 4.620 4.643 -0.023 25098 6101 1 15 . 1 1 101 101 PRO CA C 101 62.096 62.096 62.863 -0.767 25098 6102 1 15 . 1 1 101 101 PRO CB C 101 32.296 32.296 31.941 0.355 25098 6103 1 15 . 1 1 102 102 GLU N N 102 124.589 124.589 124.195 0.394 25098 6104 1 15 . 1 1 102 102 GLU HA H 102 4.379 4.379 4.353 0.026 25098 6105 1 15 . 1 1 102 102 GLU CA C 102 56.649 56.649 57.380 -0.731 25098 6106 1 15 . 1 1 102 102 GLU CB C 102 30.740 30.740 30.460 0.279 25098 6107 1 15 . 1 1 102 102 GLU H H 102 8.574 8.574 8.374 0.200 25098 6108 1 15 . 1 1 103 103 GLN N N 103 118.304 118.304 117.432 0.872 25098 6109 1 15 . 1 1 103 103 GLN HA H 103 4.662 4.662 4.610 0.052 25098 6110 1 15 . 1 1 103 103 GLN CA C 103 53.956 53.956 54.518 -0.562 25098 6111 1 15 . 1 1 103 103 GLN CB C 103 31.762 31.762 32.215 -0.453 25098 6112 1 15 . 1 1 103 103 GLN H H 103 8.518 8.518 7.700 0.818 25098 6113 1 15 . 1 1 104 104 ALA N N 104 124.603 124.603 126.081 -1.478 25098 6114 1 15 . 1 1 104 104 ALA HA H 104 4.195 4.195 4.600 -0.405 25098 6115 1 15 . 1 1 104 104 ALA CA C 104 51.886 51.886 52.010 -0.124 25098 6116 1 15 . 1 1 104 104 ALA CB C 104 19.377 19.377 19.385 -0.008 25098 6117 1 15 . 1 1 104 104 ALA H H 104 8.575 8.575 8.498 0.077 25098 6118 1 15 . 1 1 105 105 GLY N N 105 108.486 108.486 111.889 -3.403 25098 6119 1 15 . 1 1 105 105 GLY CA C 105 44.726 44.726 45.328 -0.602 25098 6120 1 15 . 1 1 105 105 GLY H H 105 8.710 8.710 8.123 0.587 25098 6121 1 15 . 1 1 106 106 GLU N N 106 118.462 118.462 120.571 -2.109 25098 6122 1 15 . 1 1 106 106 GLU HA H 106 5.098 5.098 5.243 -0.145 25098 6123 1 15 . 1 1 106 106 GLU CA C 106 54.382 54.382 55.786 -1.404 25098 6124 1 15 . 1 1 106 106 GLU CB C 106 31.878 31.878 31.276 0.602 25098 6125 1 15 . 1 1 106 106 GLU H H 106 7.620 7.620 8.192 -0.572 25098 6126 1 15 . 1 1 107 107 PHE N N 107 123.388 123.388 124.821 -1.433 25098 6127 1 15 . 1 1 107 107 PHE HA H 107 4.999 4.999 4.966 0.033 25098 6128 1 15 . 1 1 107 107 PHE CA C 107 56.623 56.623 57.065 -0.442 25098 6129 1 15 . 1 1 107 107 PHE CB C 107 43.035 43.035 43.785 -0.750 25098 6130 1 15 . 1 1 107 107 PHE H H 107 9.381 9.381 9.559 -0.178 25098 6131 1 15 . 1 1 108 108 SER N N 108 117.621 117.621 113.633 3.988 25098 6132 1 15 . 1 1 108 108 SER HA H 108 5.137 5.137 5.195 -0.058 25098 6133 1 15 . 1 1 108 108 SER CA C 108 58.465 58.465 57.870 0.595 25098 6134 1 15 . 1 1 108 108 SER CB C 108 65.864 65.864 66.592 -0.728 25098 6135 1 15 . 1 1 108 108 SER H H 108 8.846 8.846 8.921 -0.075 25098 6136 1 15 . 1 1 109 109 PHE N N 109 116.119 116.119 117.172 -1.053 25098 6137 1 15 . 1 1 109 109 PHE HA H 109 5.154 5.154 4.791 0.363 25098 6138 1 15 . 1 1 109 109 PHE CA C 109 55.800 55.800 55.853 -0.053 25098 6139 1 15 . 1 1 109 109 PHE CB C 109 39.858 39.858 41.426 -1.568 25098 6140 1 15 . 1 1 109 109 PHE H H 109 7.646 7.646 8.385 -0.739 25098 6141 1 15 . 1 1 110 110 ALA N N 110 121.615 121.615 121.338 0.277 25098 6142 1 15 . 1 1 110 110 ALA HA H 110 5.258 5.258 4.917 0.341 25098 6143 1 15 . 1 1 110 110 ALA CA C 110 50.940 50.940 51.396 -0.456 25098 6144 1 15 . 1 1 110 110 ALA CB C 110 24.724 24.724 22.364 2.360 25098 6145 1 15 . 1 1 110 110 ALA H H 110 8.826 8.826 8.150 0.676 25098 6146 1 15 . 1 1 111 111 CYS N N 111 114.162 114.162 119.506 -5.344 25098 6147 1 15 . 1 1 111 111 CYS HA H 111 5.372 5.372 4.851 0.521 25098 6148 1 15 . 1 1 111 111 CYS CA C 111 55.651 55.651 57.670 -2.019 25098 6149 1 15 . 1 1 111 111 CYS CB C 111 33.551 33.551 29.485 4.066 25098 6150 1 15 . 1 1 111 111 CYS H H 111 7.820 7.820 8.912 -1.092 25098 6151 1 15 . 1 1 112 112 GLY N N 112 108.348 108.348 116.208 -7.860 25098 6152 1 15 . 1 1 112 112 GLY H H 112 8.277 8.277 8.988 -0.711 25098 6153 1 15 . 1 1 117 117 HIS N N 117 117.324 117.324 118.537 -1.213 25098 6154 1 15 . 1 1 117 117 HIS HA H 117 4.540 4.540 4.710 -0.170 25098 6155 1 15 . 1 1 117 117 HIS CA C 117 56.897 56.897 56.199 0.698 25098 6156 1 15 . 1 1 117 117 HIS CB C 117 29.675 29.675 31.716 -2.041 25098 6157 1 15 . 1 1 117 117 HIS H H 117 8.670 8.670 8.631 0.039 25098 6158 1 15 . 1 1 118 118 GLY N N 118 109.716 109.716 110.501 -0.785 25098 6159 1 15 . 1 1 118 118 GLY CA C 118 43.143 43.143 44.389 -1.246 25098 6160 1 15 . 1 1 118 118 GLY H H 118 8.350 8.350 7.778 0.572 25098 6161 1 15 . 1 1 119 119 LYS N N 119 120.631 120.631 125.398 -4.767 25098 6162 1 15 . 1 1 119 119 LYS HA H 119 4.949 4.949 5.040 -0.091 25098 6163 1 15 . 1 1 119 119 LYS CA C 119 55.192 55.192 54.307 0.885 25098 6164 1 15 . 1 1 119 119 LYS CB C 119 36.931 36.931 37.091 -0.160 25098 6165 1 15 . 1 1 119 119 LYS H H 119 8.561 8.561 8.978 -0.417 25098 6166 1 15 . 1 1 120 120 MET N N 120 123.525 123.525 123.091 0.434 25098 6167 1 15 . 1 1 120 120 MET HA H 120 5.565 5.565 5.367 0.198 25098 6168 1 15 . 1 1 120 120 MET CA C 120 53.142 53.142 54.642 -1.500 25098 6169 1 15 . 1 1 120 120 MET CB C 120 37.448 37.448 37.693 -0.245 25098 6170 1 15 . 1 1 120 120 MET H H 120 9.329 9.329 9.125 0.204 25098 6171 1 15 . 1 1 121 121 ILE N N 121 127.707 127.707 125.961 1.746 25098 6172 1 15 . 1 1 121 121 ILE HA H 121 4.890 4.890 5.069 -0.179 25098 6173 1 15 . 1 1 121 121 ILE CA C 121 60.048 60.048 60.325 -0.277 25098 6174 1 15 . 1 1 121 121 ILE CB C 121 39.806 39.806 40.651 -0.845 25098 6175 1 15 . 1 1 121 121 ILE H H 121 9.471 9.471 9.333 0.138 25098 6176 1 15 . 1 1 122 122 VAL N N 122 127.738 127.738 127.973 -0.235 25098 6177 1 15 . 1 1 122 122 VAL HA H 122 4.994 4.994 4.762 0.232 25098 6178 1 15 . 1 1 122 122 VAL CA C 122 60.618 60.618 61.401 -0.783 25098 6179 1 15 . 1 1 122 122 VAL CB C 122 33.297 33.297 32.607 0.690 25098 6180 1 15 . 1 1 122 122 VAL H H 122 9.350 9.350 9.047 0.303 25098 6181 1 16 . 1 1 28 28 MET N N 28 119.966 119.966 117.979 1.987 25098 6182 1 16 . 1 1 28 28 MET H H 28 8.438 8.438 8.496 -0.058 25098 6183 1 16 . 1 1 29 29 GLY N N 29 109.326 109.326 104.913 4.413 25098 6184 1 16 . 1 1 29 29 GLY CA C 29 44.803 44.803 44.682 0.121 25098 6185 1 16 . 1 1 29 29 GLY H H 29 8.343 8.343 7.850 0.493 25098 6186 1 16 . 1 1 30 30 GLN N N 30 121.171 121.171 119.290 1.881 25098 6187 1 16 . 1 1 30 30 GLN HA H 30 4.548 4.548 4.623 -0.075 25098 6188 1 16 . 1 1 30 30 GLN CA C 30 54.981 54.981 54.865 0.116 25098 6189 1 16 . 1 1 30 30 GLN CB C 30 30.824 30.824 32.648 -1.824 25098 6190 1 16 . 1 1 30 30 GLN H H 30 8.174 8.174 8.852 -0.678 25098 6191 1 16 . 1 1 31 31 LYS N N 31 125.160 125.160 126.039 -0.879 25098 6192 1 16 . 1 1 31 31 LYS HA H 31 4.829 4.829 4.368 0.461 25098 6193 1 16 . 1 1 31 31 LYS CA C 31 55.952 55.952 56.106 -0.154 25098 6194 1 16 . 1 1 31 31 LYS CB C 31 33.322 33.322 33.272 0.050 25098 6195 1 16 . 1 1 31 31 LYS H H 31 8.713 8.713 8.777 -0.064 25098 6196 1 16 . 1 1 32 32 ALA N N 32 123.842 123.842 129.411 -5.569 25098 6197 1 16 . 1 1 32 32 ALA HA H 32 4.125 4.125 4.242 -0.117 25098 6198 1 16 . 1 1 32 32 ALA CA C 32 52.301 52.301 52.026 0.275 25098 6199 1 16 . 1 1 32 32 ALA CB C 32 18.956 18.956 19.981 -1.025 25098 6200 1 16 . 1 1 32 32 ALA H H 32 8.152 8.152 8.115 0.037 25098 6201 1 16 . 1 1 33 33 GLN N N 33 121.807 121.807 121.278 0.529 25098 6202 1 16 . 1 1 33 33 GLN HA H 33 4.380 4.380 4.268 0.112 25098 6203 1 16 . 1 1 33 33 GLN CA C 33 55.299 55.299 55.572 -0.273 25098 6204 1 16 . 1 1 33 33 GLN CB C 33 29.835 29.835 29.558 0.277 25098 6205 1 16 . 1 1 33 33 GLN H H 33 8.808 8.808 8.375 0.433 25098 6206 1 16 . 1 1 34 34 GLN N N 34 124.320 124.320 123.974 0.346 25098 6207 1 16 . 1 1 34 34 GLN HA H 34 4.212 4.212 4.403 -0.191 25098 6208 1 16 . 1 1 34 34 GLN CA C 34 55.368 55.368 55.748 -0.380 25098 6209 1 16 . 1 1 34 34 GLN CB C 34 27.615 27.615 29.449 -1.834 25098 6210 1 16 . 1 1 34 34 GLN H H 34 9.025 9.025 8.484 0.541 25098 6211 1 16 . 1 1 35 35 LYS N N 35 126.662 126.662 123.673 2.989 25098 6212 1 16 . 1 1 35 35 LYS HA H 35 4.441 4.441 4.282 0.159 25098 6213 1 16 . 1 1 35 35 LYS CA C 35 54.126 54.126 54.272 -0.146 25098 6214 1 16 . 1 1 35 35 LYS CB C 35 31.475 31.475 32.651 -1.176 25098 6215 1 16 . 1 1 35 35 LYS H H 35 8.479 8.479 8.539 -0.060 25098 6216 1 16 . 1 1 36 36 ASN N N 36 118.026 118.026 118.562 -0.536 25098 6217 1 16 . 1 1 36 36 ASN HA H 36 4.611 4.611 4.540 0.071 25098 6218 1 16 . 1 1 36 36 ASN CA C 36 53.478 53.478 53.637 -0.159 25098 6219 1 16 . 1 1 36 36 ASN CB C 36 36.839 36.839 37.263 -0.424 25098 6220 1 16 . 1 1 36 36 ASN H H 36 8.062 8.062 8.268 -0.206 25098 6221 1 16 . 1 1 37 37 GLY N N 37 111.719 111.719 108.638 3.081 25098 6222 1 16 . 1 1 37 37 GLY CA C 37 45.230 45.230 45.453 -0.223 25098 6223 1 16 . 1 1 37 37 GLY H H 37 8.285 8.285 8.173 0.112 25098 6224 1 16 . 1 1 38 38 TYR N N 38 114.733 114.733 114.850 -0.117 25098 6225 1 16 . 1 1 38 38 TYR HA H 38 5.107 5.107 5.292 -0.185 25098 6226 1 16 . 1 1 38 38 TYR CA C 38 55.398 55.398 55.364 0.034 25098 6227 1 16 . 1 1 38 38 TYR CB C 38 39.246 39.246 40.411 -1.165 25098 6228 1 16 . 1 1 38 38 TYR H H 38 7.158 7.158 7.212 -0.054 25098 6229 1 16 . 1 1 39 39 GLN N N 39 117.964 117.964 117.187 0.777 25098 6230 1 16 . 1 1 39 39 GLN HA H 39 5.472 5.472 5.065 0.407 25098 6231 1 16 . 1 1 39 39 GLN CA C 39 52.396 52.396 53.809 -1.413 25098 6232 1 16 . 1 1 39 39 GLN CB C 39 30.812 30.812 32.587 -1.775 25098 6233 1 16 . 1 1 39 39 GLN H H 39 9.401 9.401 8.938 0.463 25098 6234 1 16 . 1 1 40 40 GLU N N 40 123.527 123.527 121.501 2.026 25098 6235 1 16 . 1 1 40 40 GLU HA H 40 5.809 5.809 5.622 0.187 25098 6236 1 16 . 1 1 40 40 GLU CA C 40 54.574 54.574 54.835 -0.261 25098 6237 1 16 . 1 1 40 40 GLU CB C 40 35.999 35.999 34.450 1.549 25098 6238 1 16 . 1 1 40 40 GLU H H 40 9.027 9.027 8.877 0.150 25098 6239 1 16 . 1 1 41 41 ILE N N 41 124.884 124.884 122.872 2.012 25098 6240 1 16 . 1 1 41 41 ILE HA H 41 4.686 4.686 4.532 0.154 25098 6241 1 16 . 1 1 41 41 ILE CA C 41 59.126 59.126 60.195 -1.069 25098 6242 1 16 . 1 1 41 41 ILE CB C 41 42.658 42.658 42.117 0.541 25098 6243 1 16 . 1 1 41 41 ILE H H 41 8.503 8.503 8.231 0.272 25098 6244 1 16 . 1 1 42 42 ARG N N 42 127.316 127.316 128.978 -1.662 25098 6245 1 16 . 1 1 42 42 ARG HA H 42 5.136 5.136 4.604 0.532 25098 6246 1 16 . 1 1 42 42 ARG CA C 42 54.461 54.461 56.004 -1.543 25098 6247 1 16 . 1 1 42 42 ARG CB C 42 32.141 32.141 30.571 1.570 25098 6248 1 16 . 1 1 42 42 ARG H H 42 7.942 7.942 8.627 -0.685 25098 6249 1 16 . 1 1 43 43 VAL N N 43 126.060 126.060 127.281 -1.221 25098 6250 1 16 . 1 1 43 43 VAL HA H 43 4.357 4.357 4.349 0.008 25098 6251 1 16 . 1 1 43 43 VAL CA C 43 61.020 61.020 60.175 0.845 25098 6252 1 16 . 1 1 43 43 VAL CB C 43 34.375 34.375 32.729 1.646 25098 6253 1 16 . 1 1 43 43 VAL H H 43 9.158 9.158 9.030 0.128 25098 6254 1 16 . 1 1 44 44 GLU N N 44 127.592 127.592 128.863 -1.271 25098 6255 1 16 . 1 1 44 44 GLU HA H 44 4.782 4.782 4.373 0.409 25098 6256 1 16 . 1 1 44 44 GLU CA C 44 55.944 55.944 56.819 -0.875 25098 6257 1 16 . 1 1 44 44 GLU CB C 44 31.779 31.779 30.177 1.602 25098 6258 1 16 . 1 1 44 44 GLU H H 44 9.086 9.086 8.972 0.114 25098 6259 1 16 . 1 1 45 45 VAL N N 45 126.323 126.323 127.574 -1.251 25098 6260 1 16 . 1 1 45 45 VAL HA H 45 4.910 4.910 4.840 0.070 25098 6261 1 16 . 1 1 45 45 VAL CA C 45 61.122 61.122 61.470 -0.348 25098 6262 1 16 . 1 1 45 45 VAL CB C 45 31.501 31.501 31.634 -0.133 25098 6263 1 16 . 1 1 45 45 VAL H H 45 8.617 8.617 8.998 -0.381 25098 6264 1 16 . 1 1 46 46 MET N N 46 127.658 127.658 124.504 3.154 25098 6265 1 16 . 1 1 46 46 MET HA H 46 4.755 4.755 4.761 -0.006 25098 6266 1 16 . 1 1 46 46 MET CA C 46 55.999 55.999 54.507 1.492 25098 6267 1 16 . 1 1 46 46 MET CB C 46 32.530 32.530 33.120 -0.590 25098 6268 1 16 . 1 1 46 46 MET H H 46 8.319 8.319 7.808 0.511 25098 6269 1 16 . 1 1 47 47 GLY N N 47 119.231 119.231 107.474 11.757 25098 6270 1 16 . 1 1 47 47 GLY CA C 47 46.863 46.863 45.108 1.756 25098 6271 1 16 . 1 1 47 47 GLY H H 47 10.065 10.065 8.728 1.337 25098 6272 1 16 . 1 1 48 48 GLY N N 48 102.924 102.924 105.965 -3.041 25098 6273 1 16 . 1 1 48 48 GLY CA C 48 43.176 43.176 44.676 -1.500 25098 6274 1 16 . 1 1 48 48 GLY H H 48 6.639 6.639 7.635 -0.996 25098 6275 1 16 . 1 1 49 49 TYR N N 49 120.115 120.115 119.065 1.050 25098 6276 1 16 . 1 1 49 49 TYR HA H 49 5.267 5.267 5.440 -0.173 25098 6277 1 16 . 1 1 49 49 TYR CA C 49 56.991 56.991 56.280 0.711 25098 6278 1 16 . 1 1 49 49 TYR CB C 49 40.490 40.490 40.167 0.323 25098 6279 1 16 . 1 1 49 49 TYR H H 49 8.364 8.364 8.397 -0.033 25098 6280 1 16 . 1 1 50 50 THR N N 50 117.545 117.545 118.516 -0.971 25098 6281 1 16 . 1 1 50 50 THR HA H 50 4.742 4.742 4.408 0.334 25098 6282 1 16 . 1 1 50 50 THR CA C 50 59.224 59.224 64.972 -5.748 25098 6283 1 16 . 1 1 50 50 THR CB C 50 71.576 71.576 67.775 3.801 25098 6284 1 16 . 1 1 50 50 THR H H 50 8.574 8.574 8.369 0.205 25098 6285 1 16 . 1 1 51 51 PRO HA H 51 4.928 4.928 4.753 0.175 25098 6286 1 16 . 1 1 51 51 PRO CA C 51 63.206 63.206 62.897 0.310 25098 6287 1 16 . 1 1 51 51 PRO CB C 51 34.946 34.946 31.201 3.745 25098 6288 1 16 . 1 1 52 52 GLU N N 52 114.661 114.661 121.396 -6.735 25098 6289 1 16 . 1 1 52 52 GLU HA H 52 4.468 4.468 4.115 0.353 25098 6290 1 16 . 1 1 52 52 GLU CA C 52 55.828 55.828 58.963 -3.135 25098 6291 1 16 . 1 1 52 52 GLU CB C 52 30.239 30.239 30.026 0.213 25098 6292 1 16 . 1 1 52 52 GLU H H 52 8.351 8.351 8.452 -0.101 25098 6293 1 16 . 1 1 53 53 LEU N N 53 123.273 123.273 115.721 7.552 25098 6294 1 16 . 1 1 53 53 LEU HA H 53 5.504 5.504 5.456 0.048 25098 6295 1 16 . 1 1 53 53 LEU CA C 53 54.005 54.005 52.635 1.370 25098 6296 1 16 . 1 1 53 53 LEU CB C 53 44.276 44.276 44.203 0.074 25098 6297 1 16 . 1 1 53 53 LEU H H 53 7.476 7.476 7.552 -0.076 25098 6298 1 16 . 1 1 54 54 ILE N N 54 121.159 121.159 120.207 0.952 25098 6299 1 16 . 1 1 54 54 ILE HA H 54 5.238 5.238 5.260 -0.022 25098 6300 1 16 . 1 1 54 54 ILE CA C 54 59.006 59.006 59.184 -0.178 25098 6301 1 16 . 1 1 54 54 ILE CB C 54 41.979 41.979 39.267 2.712 25098 6302 1 16 . 1 1 54 54 ILE H H 54 8.732 8.732 9.241 -0.509 25098 6303 1 16 . 1 1 55 55 VAL N N 55 123.295 123.295 126.634 -3.339 25098 6304 1 16 . 1 1 55 55 VAL HA H 55 5.138 5.138 4.919 0.219 25098 6305 1 16 . 1 1 55 55 VAL CA C 55 61.216 61.216 61.004 0.212 25098 6306 1 16 . 1 1 55 55 VAL CB C 55 33.376 33.376 31.727 1.649 25098 6307 1 16 . 1 1 55 55 VAL H H 55 8.456 8.456 8.857 -0.401 25098 6308 1 16 . 1 1 56 56 LEU N N 56 129.681 129.681 127.276 2.405 25098 6309 1 16 . 1 1 56 56 LEU HA H 56 4.637 4.637 5.087 -0.450 25098 6310 1 16 . 1 1 56 56 LEU CA C 56 53.044 53.044 53.389 -0.345 25098 6311 1 16 . 1 1 56 56 LEU CB C 56 45.712 45.712 46.764 -1.052 25098 6312 1 16 . 1 1 56 56 LEU H H 56 9.646 9.646 9.347 0.299 25098 6313 1 16 . 1 1 57 57 LYS N N 57 121.874 121.874 120.701 1.173 25098 6314 1 16 . 1 1 57 57 LYS HA H 57 4.815 4.815 4.447 0.368 25098 6315 1 16 . 1 1 57 57 LYS CA C 57 55.095 55.095 54.971 0.124 25098 6316 1 16 . 1 1 57 57 LYS CB C 57 33.701 33.701 34.009 -0.308 25098 6317 1 16 . 1 1 57 57 LYS H H 57 9.619 9.619 8.835 0.784 25098 6318 1 16 . 1 1 58 58 LYS N N 58 124.865 124.865 120.793 4.072 25098 6319 1 16 . 1 1 58 58 LYS HA H 58 3.714 3.714 4.532 -0.818 25098 6320 1 16 . 1 1 58 58 LYS CA C 58 57.532 57.532 55.600 1.932 25098 6321 1 16 . 1 1 58 58 LYS CB C 58 33.246 33.246 34.040 -0.794 25098 6322 1 16 . 1 1 58 58 LYS H H 58 8.793 8.793 8.282 0.511 25098 6323 1 16 . 1 1 59 59 SER N N 59 113.482 113.482 117.927 -4.445 25098 6324 1 16 . 1 1 59 59 SER HA H 59 4.084 4.084 4.080 0.004 25098 6325 1 16 . 1 1 59 59 SER CA C 59 61.005 61.005 59.833 1.172 25098 6326 1 16 . 1 1 59 59 SER CB C 59 60.917 60.917 62.593 -1.676 25098 6327 1 16 . 1 1 59 59 SER H H 59 8.946 8.946 9.121 -0.175 25098 6328 1 16 . 1 1 60 60 VAL N N 60 123.081 123.081 120.923 2.158 25098 6329 1 16 . 1 1 60 60 VAL HA H 60 4.448 4.448 4.586 -0.138 25098 6330 1 16 . 1 1 60 60 VAL CA C 60 59.101 59.101 58.498 0.603 25098 6331 1 16 . 1 1 60 60 VAL CB C 60 33.818 33.818 34.726 -0.908 25098 6332 1 16 . 1 1 60 60 VAL H H 60 6.974 6.974 7.483 -0.509 25098 6333 1 16 . 1 1 61 61 PRO HA H 61 4.405 4.405 4.585 -0.180 25098 6334 1 16 . 1 1 61 61 PRO CA C 61 64.752 64.752 63.083 1.669 25098 6335 1 16 . 1 1 61 61 PRO CB C 61 32.273 32.273 31.051 1.222 25098 6336 1 16 . 1 1 62 62 ALA N N 62 124.881 124.881 126.724 -1.843 25098 6337 1 16 . 1 1 62 62 ALA HA H 62 5.452 5.452 5.307 0.145 25098 6338 1 16 . 1 1 62 62 ALA CA C 62 49.746 49.746 50.261 -0.515 25098 6339 1 16 . 1 1 62 62 ALA CB C 62 22.483 22.483 22.749 -0.266 25098 6340 1 16 . 1 1 62 62 ALA H H 62 9.244 9.244 9.130 0.114 25098 6341 1 16 . 1 1 63 63 ARG N N 63 122.869 122.869 122.238 0.631 25098 6342 1 16 . 1 1 63 63 ARG HA H 63 4.498 4.498 5.505 -1.007 25098 6343 1 16 . 1 1 63 63 ARG CA C 63 55.022 55.022 53.490 1.532 25098 6344 1 16 . 1 1 63 63 ARG CB C 63 31.637 31.637 33.064 -1.427 25098 6345 1 16 . 1 1 63 63 ARG H H 63 8.858 8.858 9.071 -0.213 25098 6346 1 16 . 1 1 64 64 ILE N N 64 125.797 125.797 125.028 0.769 25098 6347 1 16 . 1 1 64 64 ILE HA H 64 4.367 4.367 4.330 0.037 25098 6348 1 16 . 1 1 64 64 ILE CA C 64 60.028 60.028 58.355 1.673 25098 6349 1 16 . 1 1 64 64 ILE CB C 64 37.499 37.499 37.057 0.442 25098 6350 1 16 . 1 1 64 64 ILE H H 64 9.033 9.033 8.771 0.262 25098 6351 1 16 . 1 1 65 65 VAL N N 65 127.998 127.998 128.710 -0.712 25098 6352 1 16 . 1 1 65 65 VAL HA H 65 4.122 4.122 4.187 -0.065 25098 6353 1 16 . 1 1 65 65 VAL CA C 65 61.697 61.697 61.913 -0.217 25098 6354 1 16 . 1 1 65 65 VAL CB C 65 32.480 32.480 31.127 1.353 25098 6355 1 16 . 1 1 65 65 VAL H H 65 8.800 8.800 8.864 -0.064 25098 6356 1 16 . 1 1 66 66 PHE N N 66 126.431 126.431 128.404 -1.973 25098 6357 1 16 . 1 1 66 66 PHE HA H 66 5.190 5.190 5.236 -0.046 25098 6358 1 16 . 1 1 66 66 PHE CA C 66 58.012 58.012 57.025 0.987 25098 6359 1 16 . 1 1 66 66 PHE CB C 66 41.731 41.731 40.519 1.212 25098 6360 1 16 . 1 1 66 66 PHE H H 66 9.536 9.536 9.447 0.089 25098 6361 1 16 . 1 1 67 67 ASP N N 67 123.469 123.469 125.453 -1.984 25098 6362 1 16 . 1 1 67 67 ASP HA H 67 4.986 4.986 5.013 -0.027 25098 6363 1 16 . 1 1 67 67 ASP CA C 67 52.158 52.158 53.281 -1.123 25098 6364 1 16 . 1 1 67 67 ASP CB C 67 42.083 42.083 42.474 -0.391 25098 6365 1 16 . 1 1 67 67 ASP H H 67 8.806 8.806 9.042 -0.236 25098 6366 1 16 . 1 1 68 68 ARG N N 68 124.864 124.864 127.785 -2.921 25098 6367 1 16 . 1 1 68 68 ARG HA H 68 4.760 4.760 4.360 0.400 25098 6368 1 16 . 1 1 68 68 ARG CA C 68 58.018 58.018 56.838 1.180 25098 6369 1 16 . 1 1 68 68 ARG CB C 68 30.605 30.605 29.980 0.625 25098 6370 1 16 . 1 1 68 68 ARG H H 68 8.598 8.598 8.052 0.546 25098 6371 1 16 . 1 1 69 69 LYS N N 69 126.910 126.910 126.126 0.784 25098 6372 1 16 . 1 1 69 69 LYS HA H 69 4.662 4.662 4.395 0.267 25098 6373 1 16 . 1 1 69 69 LYS CA C 69 55.222 55.222 56.695 -1.473 25098 6374 1 16 . 1 1 69 69 LYS CB C 69 34.788 34.788 33.508 1.280 25098 6375 1 16 . 1 1 69 69 LYS H H 69 8.348 8.348 8.814 -0.466 25098 6376 1 16 . 1 1 70 70 ASP N N 70 119.420 119.420 119.830 -0.410 25098 6377 1 16 . 1 1 70 70 ASP HA H 70 5.085 5.085 4.949 0.136 25098 6378 1 16 . 1 1 70 70 ASP CA C 70 49.872 49.872 51.088 -1.216 25098 6379 1 16 . 1 1 70 70 ASP CB C 70 45.194 45.194 42.520 2.674 25098 6380 1 16 . 1 1 70 70 ASP H H 70 6.675 6.675 7.902 -1.227 25098 6381 1 16 . 1 1 71 71 PRO HA H 71 4.589 4.589 4.495 0.094 25098 6382 1 16 . 1 1 71 71 PRO CA C 71 63.781 63.781 62.620 1.161 25098 6383 1 16 . 1 1 72 72 SER N N 72 121.578 121.578 117.451 4.127 25098 6384 1 16 . 1 1 72 72 SER HA H 72 4.462 4.462 4.508 -0.046 25098 6385 1 16 . 1 1 72 72 SER CA C 72 57.029 57.029 55.124 1.905 25098 6386 1 16 . 1 1 72 72 SER CB C 72 63.781 63.781 64.082 -0.301 25098 6387 1 16 . 1 1 72 72 SER H H 72 8.624 8.624 7.626 0.998 25098 6388 1 16 . 1 1 73 73 PRO HA H 73 4.348 4.348 4.389 -0.041 25098 6389 1 16 . 1 1 73 73 PRO CA C 73 64.297 64.297 64.659 -0.362 25098 6390 1 16 . 1 1 74 74 CYS N N 74 114.456 114.456 115.969 -1.513 25098 6391 1 16 . 1 1 74 74 CYS HA H 74 4.320 4.320 4.386 -0.066 25098 6392 1 16 . 1 1 74 74 CYS CA C 74 60.192 60.192 60.278 -0.086 25098 6393 1 16 . 1 1 74 74 CYS CB C 74 27.035 27.035 27.398 -0.364 25098 6394 1 16 . 1 1 74 74 CYS H H 74 8.010 8.010 7.754 0.256 25098 6395 1 16 . 1 1 75 75 LEU N N 75 120.476 120.476 118.004 2.472 25098 6396 1 16 . 1 1 75 75 LEU HA H 75 4.546 4.546 4.445 0.101 25098 6397 1 16 . 1 1 75 75 LEU CA C 75 53.987 53.987 54.202 -0.215 25098 6398 1 16 . 1 1 75 75 LEU CB C 75 41.083 41.083 42.301 -1.218 25098 6399 1 16 . 1 1 75 75 LEU H H 75 7.629 7.629 7.387 0.242 25098 6400 1 16 . 1 1 76 76 ASP N N 76 117.861 117.861 119.524 -1.663 25098 6401 1 16 . 1 1 76 76 ASP HA H 76 4.466 4.466 4.415 0.051 25098 6402 1 16 . 1 1 76 76 ASP CB C 76 41.608 41.608 42.124 -0.516 25098 6403 1 16 . 1 1 76 76 ASP H H 76 7.465 7.465 7.428 0.037 25098 6404 1 16 . 1 1 77 77 GLN HA H 77 5.368 5.368 4.825 0.543 25098 6405 1 16 . 1 1 77 77 GLN CA C 77 53.830 53.830 54.859 -1.029 25098 6406 1 16 . 1 1 77 77 GLN CB C 77 33.290 33.290 33.340 -0.050 25098 6407 1 16 . 1 1 78 78 ILE N N 78 123.134 123.134 120.512 2.622 25098 6408 1 16 . 1 1 78 78 ILE HA H 78 4.893 4.893 4.449 0.444 25098 6409 1 16 . 1 1 78 78 ILE CA C 78 56.862 56.862 60.246 -3.384 25098 6410 1 16 . 1 1 78 78 ILE CB C 78 42.611 42.611 41.538 1.073 25098 6411 1 16 . 1 1 78 78 ILE H H 78 9.043 9.043 9.010 0.033 25098 6412 1 16 . 1 1 79 79 VAL N N 79 125.068 125.068 128.679 -3.611 25098 6413 1 16 . 1 1 79 79 VAL HA H 79 4.911 4.911 5.385 -0.474 25098 6414 1 16 . 1 1 79 79 VAL CB C 79 35.336 35.336 35.050 0.286 25098 6415 1 16 . 1 1 79 79 VAL H H 79 8.911 8.911 8.250 0.661 25098 6416 1 16 . 1 1 80 80 PHE N N 80 123.479 123.479 127.959 -4.480 25098 6417 1 16 . 1 1 80 80 PHE HA H 80 5.574 5.574 5.210 0.364 25098 6418 1 16 . 1 1 80 80 PHE CA C 80 53.684 53.684 55.840 -2.156 25098 6419 1 16 . 1 1 80 80 PHE CB C 80 39.905 39.905 39.283 0.622 25098 6420 1 16 . 1 1 80 80 PHE H H 80 8.628 8.628 9.520 -0.892 25098 6421 1 16 . 1 1 81 81 PRO HA H 81 4.427 4.427 4.423 0.004 25098 6422 1 16 . 1 1 81 81 PRO CA C 81 65.254 65.254 65.140 0.114 25098 6423 1 16 . 1 1 81 81 PRO CB C 81 32.319 32.319 31.588 0.731 25098 6424 1 16 . 1 1 82 82 ASP N N 82 114.119 114.119 116.918 -2.799 25098 6425 1 16 . 1 1 82 82 ASP HA H 82 4.484 4.484 4.803 -0.319 25098 6426 1 16 . 1 1 82 82 ASP CA C 82 55.569 55.569 55.456 0.113 25098 6427 1 16 . 1 1 82 82 ASP CB C 82 41.625 41.625 41.808 -0.183 25098 6428 1 16 . 1 1 82 82 ASP H H 82 8.692 8.692 8.692 0.000 25098 6429 1 16 . 1 1 83 83 PHE N N 83 113.198 113.198 118.369 -5.171 25098 6430 1 16 . 1 1 83 83 PHE HA H 83 4.618 4.618 4.671 -0.053 25098 6431 1 16 . 1 1 83 83 PHE CA C 83 57.454 57.454 58.346 -0.893 25098 6432 1 16 . 1 1 83 83 PHE CB C 83 41.445 41.445 40.628 0.817 25098 6433 1 16 . 1 1 83 83 PHE H H 83 7.434 7.434 7.750 -0.316 25098 6434 1 16 . 1 1 84 84 GLY N N 84 108.212 108.212 109.190 -0.978 25098 6435 1 16 . 1 1 84 84 GLY CA C 84 46.552 46.552 45.632 0.920 25098 6436 1 16 . 1 1 84 84 GLY H H 84 7.677 7.677 8.559 -0.882 25098 6437 1 16 . 1 1 85 85 VAL N N 85 117.875 117.875 122.731 -4.856 25098 6438 1 16 . 1 1 85 85 VAL HA H 85 4.270 4.270 4.158 0.112 25098 6439 1 16 . 1 1 85 85 VAL CA C 85 61.664 61.664 60.944 0.720 25098 6440 1 16 . 1 1 85 85 VAL CB C 85 34.286 34.286 32.580 1.706 25098 6441 1 16 . 1 1 85 85 VAL H H 85 7.075 7.075 7.480 -0.405 25098 6442 1 16 . 1 1 86 86 HIS N N 86 129.355 129.355 125.159 4.196 25098 6443 1 16 . 1 1 86 86 HIS HA H 86 5.204 5.204 5.515 -0.311 25098 6444 1 16 . 1 1 86 86 HIS CA C 86 55.513 55.513 53.186 2.327 25098 6445 1 16 . 1 1 86 86 HIS CB C 86 31.131 31.131 30.068 1.063 25098 6446 1 16 . 1 1 86 86 HIS H H 86 8.921 8.921 8.291 0.630 25098 6447 1 16 . 1 1 87 87 ALA N N 87 126.717 126.717 127.162 -0.445 25098 6448 1 16 . 1 1 87 87 ALA HA H 87 4.749 4.749 4.766 -0.017 25098 6449 1 16 . 1 1 87 87 ALA CA C 87 50.886 50.886 50.229 0.657 25098 6450 1 16 . 1 1 87 87 ALA CB C 87 22.088 22.088 22.848 -0.760 25098 6451 1 16 . 1 1 87 87 ALA H H 87 8.799 8.799 9.200 -0.401 25098 6452 1 16 . 1 1 88 88 ASN N N 88 119.348 119.348 118.637 0.711 25098 6453 1 16 . 1 1 88 88 ASN HA H 88 5.125 5.125 4.774 0.351 25098 6454 1 16 . 1 1 88 88 ASN CA C 88 51.796 51.796 52.098 -0.302 25098 6455 1 16 . 1 1 88 88 ASN CB C 88 39.015 39.015 40.196 -1.181 25098 6456 1 16 . 1 1 88 88 ASN H H 88 8.230 8.230 8.314 -0.084 25098 6457 1 16 . 1 1 89 89 LEU N N 89 122.766 122.766 125.189 -2.423 25098 6458 1 16 . 1 1 89 89 LEU HA H 89 4.440 4.440 4.712 -0.272 25098 6459 1 16 . 1 1 89 89 LEU CA C 89 50.791 50.791 51.641 -0.849 25098 6460 1 16 . 1 1 89 89 LEU CB C 89 42.662 42.662 43.072 -0.410 25098 6461 1 16 . 1 1 89 89 LEU H H 89 8.356 8.356 8.795 -0.439 25098 6462 1 16 . 1 1 90 90 PRO HA H 90 4.434 4.434 4.576 -0.142 25098 6463 1 16 . 1 1 90 90 PRO CA C 90 61.669 61.669 62.165 -0.496 25098 6464 1 16 . 1 1 91 91 MET N N 91 121.751 121.751 125.562 -3.811 25098 6465 1 16 . 1 1 91 91 MET HA H 91 4.144 4.144 4.143 0.001 25098 6466 1 16 . 1 1 91 91 MET CA C 91 55.460 55.460 55.386 0.074 25098 6467 1 16 . 1 1 91 91 MET CB C 91 30.951 30.951 32.227 -1.276 25098 6468 1 16 . 1 1 91 91 MET H H 91 8.709 8.709 8.563 0.146 25098 6469 1 16 . 1 1 92 92 GLY N N 92 112.856 112.856 113.922 -1.066 25098 6470 1 16 . 1 1 92 92 GLY CA C 92 46.265 46.265 45.029 1.236 25098 6471 1 16 . 1 1 92 92 GLY H H 92 8.325 8.325 8.643 -0.318 25098 6472 1 16 . 1 1 93 93 GLU N N 93 116.930 116.930 119.049 -2.119 25098 6473 1 16 . 1 1 93 93 GLU HA H 93 4.747 4.747 4.646 0.101 25098 6474 1 16 . 1 1 93 93 GLU CA C 93 54.151 54.151 54.543 -0.392 25098 6475 1 16 . 1 1 93 93 GLU CB C 93 33.784 33.784 33.282 0.502 25098 6476 1 16 . 1 1 93 93 GLU H H 93 7.331 7.331 7.868 -0.537 25098 6477 1 16 . 1 1 94 94 GLU N N 94 119.837 119.837 119.426 0.411 25098 6478 1 16 . 1 1 94 94 GLU HA H 94 5.103 5.103 5.299 -0.196 25098 6479 1 16 . 1 1 94 94 GLU CA C 94 55.340 55.340 55.350 -0.010 25098 6480 1 16 . 1 1 94 94 GLU CB C 94 31.196 31.196 31.611 -0.416 25098 6481 1 16 . 1 1 94 94 GLU H H 94 8.418 8.418 8.646 -0.228 25098 6482 1 16 . 1 1 95 95 TYR N N 95 124.949 124.949 126.126 -1.177 25098 6483 1 16 . 1 1 95 95 TYR HA H 95 4.637 4.637 4.819 -0.182 25098 6484 1 16 . 1 1 95 95 TYR CA C 95 58.125 58.125 57.431 0.694 25098 6485 1 16 . 1 1 95 95 TYR CB C 95 43.144 43.144 41.881 1.263 25098 6486 1 16 . 1 1 95 95 TYR H H 95 9.059 9.059 9.204 -0.145 25098 6487 1 16 . 1 1 96 96 VAL N N 96 128.075 128.075 126.168 1.907 25098 6488 1 16 . 1 1 96 96 VAL HA H 96 4.440 4.440 4.990 -0.550 25098 6489 1 16 . 1 1 96 96 VAL CA C 96 61.772 61.772 60.024 1.748 25098 6490 1 16 . 1 1 96 96 VAL CB C 96 32.805 32.805 34.295 -1.490 25098 6491 1 16 . 1 1 96 96 VAL H H 96 7.795 7.795 8.220 -0.425 25098 6492 1 16 . 1 1 97 97 VAL N N 97 129.541 129.541 129.334 0.207 25098 6493 1 16 . 1 1 97 97 VAL HA H 97 3.917 3.917 4.257 -0.340 25098 6494 1 16 . 1 1 97 97 VAL CA C 97 61.821 61.821 61.400 0.421 25098 6495 1 16 . 1 1 97 97 VAL CB C 97 33.313 33.313 33.025 0.288 25098 6496 1 16 . 1 1 97 97 VAL H H 97 9.110 9.110 8.836 0.274 25098 6497 1 16 . 1 1 98 98 GLU N N 98 127.575 127.575 128.994 -1.419 25098 6498 1 16 . 1 1 98 98 GLU HA H 98 5.237 5.237 4.798 0.439 25098 6499 1 16 . 1 1 98 98 GLU CA C 98 54.576 54.576 56.159 -1.583 25098 6500 1 16 . 1 1 98 98 GLU CB C 98 30.995 30.995 30.351 0.644 25098 6501 1 16 . 1 1 98 98 GLU H H 98 8.166 8.166 8.713 -0.547 25098 6502 1 16 . 1 1 99 99 ILE N N 99 118.374 118.374 122.041 -3.667 25098 6503 1 16 . 1 1 99 99 ILE HA H 99 4.386 4.386 4.624 -0.238 25098 6504 1 16 . 1 1 99 99 ILE CA C 99 59.143 59.143 59.111 0.032 25098 6505 1 16 . 1 1 99 99 ILE CB C 99 43.580 43.580 42.024 1.556 25098 6506 1 16 . 1 1 99 99 ILE H H 99 7.881 7.881 8.926 -1.045 25098 6507 1 16 . 1 1 100 100 THR N N 100 119.619 119.619 117.751 1.868 25098 6508 1 16 . 1 1 100 100 THR HA H 100 4.717 4.717 4.828 -0.111 25098 6509 1 16 . 1 1 100 100 THR CA C 100 58.983 58.983 58.821 0.162 25098 6510 1 16 . 1 1 100 100 THR CB C 100 69.121 69.121 69.158 -0.037 25098 6511 1 16 . 1 1 100 100 THR H H 100 8.885 8.885 8.344 0.541 25098 6512 1 16 . 1 1 101 101 PRO HA H 101 4.620 4.620 4.685 -0.065 25098 6513 1 16 . 1 1 101 101 PRO CA C 101 62.096 62.096 62.983 -0.887 25098 6514 1 16 . 1 1 101 101 PRO CB C 101 32.296 32.296 31.897 0.399 25098 6515 1 16 . 1 1 102 102 GLU N N 102 124.589 124.589 124.784 -0.195 25098 6516 1 16 . 1 1 102 102 GLU HA H 102 4.379 4.379 4.357 0.022 25098 6517 1 16 . 1 1 102 102 GLU CA C 102 56.649 56.649 57.133 -0.484 25098 6518 1 16 . 1 1 102 102 GLU CB C 102 30.740 30.740 30.528 0.212 25098 6519 1 16 . 1 1 102 102 GLU H H 102 8.574 8.574 8.437 0.137 25098 6520 1 16 . 1 1 103 103 GLN N N 103 118.304 118.304 117.369 0.935 25098 6521 1 16 . 1 1 103 103 GLN HA H 103 4.662 4.662 4.578 0.084 25098 6522 1 16 . 1 1 103 103 GLN CA C 103 53.956 53.956 54.801 -0.845 25098 6523 1 16 . 1 1 103 103 GLN CB C 103 31.762 31.762 32.108 -0.346 25098 6524 1 16 . 1 1 103 103 GLN H H 103 8.518 8.518 7.668 0.850 25098 6525 1 16 . 1 1 104 104 ALA N N 104 124.603 124.603 126.439 -1.836 25098 6526 1 16 . 1 1 104 104 ALA HA H 104 4.195 4.195 4.577 -0.382 25098 6527 1 16 . 1 1 104 104 ALA CA C 104 51.886 51.886 52.110 -0.224 25098 6528 1 16 . 1 1 104 104 ALA CB C 104 19.377 19.377 19.372 0.005 25098 6529 1 16 . 1 1 104 104 ALA H H 104 8.575 8.575 8.500 0.075 25098 6530 1 16 . 1 1 105 105 GLY N N 105 108.486 108.486 111.863 -3.377 25098 6531 1 16 . 1 1 105 105 GLY CA C 105 44.726 44.726 45.334 -0.608 25098 6532 1 16 . 1 1 105 105 GLY H H 105 8.710 8.710 8.180 0.530 25098 6533 1 16 . 1 1 106 106 GLU N N 106 118.462 118.462 120.343 -1.881 25098 6534 1 16 . 1 1 106 106 GLU HA H 106 5.098 5.098 5.129 -0.031 25098 6535 1 16 . 1 1 106 106 GLU CA C 106 54.382 54.382 55.533 -1.151 25098 6536 1 16 . 1 1 106 106 GLU CB C 106 31.878 31.878 31.425 0.453 25098 6537 1 16 . 1 1 106 106 GLU H H 106 7.620 7.620 8.094 -0.474 25098 6538 1 16 . 1 1 107 107 PHE N N 107 123.388 123.388 125.335 -1.947 25098 6539 1 16 . 1 1 107 107 PHE HA H 107 4.999 4.999 5.079 -0.080 25098 6540 1 16 . 1 1 107 107 PHE CA C 107 56.623 56.623 56.926 -0.303 25098 6541 1 16 . 1 1 107 107 PHE CB C 107 43.035 43.035 43.977 -0.942 25098 6542 1 16 . 1 1 107 107 PHE H H 107 9.381 9.381 9.534 -0.153 25098 6543 1 16 . 1 1 108 108 SER N N 108 117.621 117.621 114.523 3.098 25098 6544 1 16 . 1 1 108 108 SER HA H 108 5.137 5.137 5.213 -0.076 25098 6545 1 16 . 1 1 108 108 SER CA C 108 58.465 58.465 57.455 1.010 25098 6546 1 16 . 1 1 108 108 SER CB C 108 65.864 65.864 66.512 -0.648 25098 6547 1 16 . 1 1 108 108 SER H H 108 8.846 8.846 9.202 -0.356 25098 6548 1 16 . 1 1 109 109 PHE N N 109 116.119 116.119 117.936 -1.817 25098 6549 1 16 . 1 1 109 109 PHE HA H 109 5.154 5.154 4.766 0.388 25098 6550 1 16 . 1 1 109 109 PHE CA C 109 55.800 55.800 55.906 -0.106 25098 6551 1 16 . 1 1 109 109 PHE CB C 109 39.858 39.858 40.893 -1.035 25098 6552 1 16 . 1 1 109 109 PHE H H 109 7.646 7.646 8.360 -0.714 25098 6553 1 16 . 1 1 110 110 ALA N N 110 121.615 121.615 123.330 -1.715 25098 6554 1 16 . 1 1 110 110 ALA HA H 110 5.258 5.258 4.984 0.274 25098 6555 1 16 . 1 1 110 110 ALA CA C 110 50.940 50.940 52.119 -1.179 25098 6556 1 16 . 1 1 110 110 ALA CB C 110 24.724 24.724 21.955 2.769 25098 6557 1 16 . 1 1 110 110 ALA H H 110 8.826 8.826 7.883 0.943 25098 6558 1 16 . 1 1 111 111 CYS N N 111 114.162 114.162 118.354 -4.192 25098 6559 1 16 . 1 1 111 111 CYS HA H 111 5.372 5.372 4.799 0.573 25098 6560 1 16 . 1 1 111 111 CYS CA C 111 55.651 55.651 58.022 -2.371 25098 6561 1 16 . 1 1 111 111 CYS CB C 111 33.551 33.551 29.923 3.628 25098 6562 1 16 . 1 1 111 111 CYS H H 111 7.820 7.820 8.604 -0.784 25098 6563 1 16 . 1 1 112 112 GLY N N 112 108.348 108.348 109.566 -1.218 25098 6564 1 16 . 1 1 112 112 GLY H H 112 8.277 8.277 8.156 0.121 25098 6565 1 16 . 1 1 117 117 HIS N N 117 117.324 117.324 120.990 -3.666 25098 6566 1 16 . 1 1 117 117 HIS HA H 117 4.540 4.540 4.750 -0.210 25098 6567 1 16 . 1 1 117 117 HIS CA C 117 56.897 56.897 56.138 0.759 25098 6568 1 16 . 1 1 117 117 HIS CB C 117 29.675 29.675 31.862 -2.187 25098 6569 1 16 . 1 1 117 117 HIS H H 117 8.670 8.670 8.576 0.094 25098 6570 1 16 . 1 1 118 118 GLY N N 118 109.716 109.716 112.507 -2.791 25098 6571 1 16 . 1 1 118 118 GLY CA C 118 43.143 43.143 44.462 -1.319 25098 6572 1 16 . 1 1 118 118 GLY H H 118 8.350 8.350 8.204 0.146 25098 6573 1 16 . 1 1 119 119 LYS N N 119 120.631 120.631 126.235 -5.604 25098 6574 1 16 . 1 1 119 119 LYS HA H 119 4.949 4.949 5.024 -0.075 25098 6575 1 16 . 1 1 119 119 LYS CA C 119 55.192 55.192 54.425 0.767 25098 6576 1 16 . 1 1 119 119 LYS CB C 119 36.931 36.931 37.121 -0.190 25098 6577 1 16 . 1 1 119 119 LYS H H 119 8.561 8.561 8.992 -0.431 25098 6578 1 16 . 1 1 120 120 MET N N 120 123.525 123.525 123.910 -0.385 25098 6579 1 16 . 1 1 120 120 MET HA H 120 5.565 5.565 5.333 0.232 25098 6580 1 16 . 1 1 120 120 MET CA C 120 53.142 53.142 54.885 -1.743 25098 6581 1 16 . 1 1 120 120 MET CB C 120 37.448 37.448 37.611 -0.163 25098 6582 1 16 . 1 1 120 120 MET H H 120 9.329 9.329 9.290 0.039 25098 6583 1 16 . 1 1 121 121 ILE N N 121 127.707 127.707 127.141 0.566 25098 6584 1 16 . 1 1 121 121 ILE HA H 121 4.890 4.890 4.992 -0.102 25098 6585 1 16 . 1 1 121 121 ILE CA C 121 60.048 60.048 60.329 -0.281 25098 6586 1 16 . 1 1 121 121 ILE CB C 121 39.806 39.806 40.125 -0.319 25098 6587 1 16 . 1 1 121 121 ILE H H 121 9.471 9.471 9.312 0.159 25098 6588 1 16 . 1 1 122 122 VAL N N 122 127.738 127.738 128.124 -0.386 25098 6589 1 16 . 1 1 122 122 VAL HA H 122 4.994 4.994 4.909 0.085 25098 6590 1 16 . 1 1 122 122 VAL CA C 122 60.618 60.618 61.722 -1.104 25098 6591 1 16 . 1 1 122 122 VAL CB C 122 33.297 33.297 32.499 0.798 25098 6592 1 16 . 1 1 122 122 VAL H H 122 9.350 9.350 8.878 0.472 25098 6593 1 17 . 1 1 28 28 MET N N 28 119.966 119.966 120.461 -0.495 25098 6594 1 17 . 1 1 28 28 MET H H 28 8.438 8.438 8.052 0.386 25098 6595 1 17 . 1 1 29 29 GLY N N 29 109.326 109.326 109.478 -0.152 25098 6596 1 17 . 1 1 29 29 GLY CA C 29 44.803 44.803 44.605 0.198 25098 6597 1 17 . 1 1 29 29 GLY H H 29 8.343 8.343 7.645 0.698 25098 6598 1 17 . 1 1 30 30 GLN N N 30 121.171 121.171 119.801 1.370 25098 6599 1 17 . 1 1 30 30 GLN HA H 30 4.548 4.548 4.662 -0.114 25098 6600 1 17 . 1 1 30 30 GLN CA C 30 54.981 54.981 54.806 0.175 25098 6601 1 17 . 1 1 30 30 GLN CB C 30 30.824 30.824 33.116 -2.292 25098 6602 1 17 . 1 1 30 30 GLN H H 30 8.174 8.174 8.660 -0.486 25098 6603 1 17 . 1 1 31 31 LYS N N 31 125.160 125.160 126.550 -1.390 25098 6604 1 17 . 1 1 31 31 LYS HA H 31 4.829 4.829 4.361 0.468 25098 6605 1 17 . 1 1 31 31 LYS CA C 31 55.952 55.952 55.908 0.044 25098 6606 1 17 . 1 1 31 31 LYS CB C 31 33.322 33.322 33.420 -0.098 25098 6607 1 17 . 1 1 31 31 LYS H H 31 8.713 8.713 8.762 -0.049 25098 6608 1 17 . 1 1 32 32 ALA N N 32 123.842 123.842 129.943 -6.101 25098 6609 1 17 . 1 1 32 32 ALA HA H 32 4.125 4.125 4.251 -0.126 25098 6610 1 17 . 1 1 32 32 ALA CA C 32 52.301 52.301 52.008 0.293 25098 6611 1 17 . 1 1 32 32 ALA CB C 32 18.956 18.956 20.003 -1.047 25098 6612 1 17 . 1 1 32 32 ALA H H 32 8.152 8.152 8.245 -0.093 25098 6613 1 17 . 1 1 33 33 GLN N N 33 121.807 121.807 120.643 1.164 25098 6614 1 17 . 1 1 33 33 GLN HA H 33 4.380 4.380 4.346 0.034 25098 6615 1 17 . 1 1 33 33 GLN CA C 33 55.299 55.299 55.223 0.076 25098 6616 1 17 . 1 1 33 33 GLN CB C 33 29.835 29.835 29.681 0.154 25098 6617 1 17 . 1 1 33 33 GLN H H 33 8.808 8.808 8.415 0.393 25098 6618 1 17 . 1 1 34 34 GLN N N 34 124.320 124.320 123.716 0.604 25098 6619 1 17 . 1 1 34 34 GLN HA H 34 4.212 4.212 4.307 -0.095 25098 6620 1 17 . 1 1 34 34 GLN CA C 34 55.368 55.368 55.651 -0.283 25098 6621 1 17 . 1 1 34 34 GLN CB C 34 27.615 27.615 29.416 -1.801 25098 6622 1 17 . 1 1 34 34 GLN H H 34 9.025 9.025 8.512 0.513 25098 6623 1 17 . 1 1 35 35 LYS N N 35 126.662 126.662 123.105 3.557 25098 6624 1 17 . 1 1 35 35 LYS HA H 35 4.441 4.441 4.288 0.153 25098 6625 1 17 . 1 1 35 35 LYS CA C 35 54.126 54.126 53.988 0.138 25098 6626 1 17 . 1 1 35 35 LYS CB C 35 31.475 31.475 32.654 -1.179 25098 6627 1 17 . 1 1 35 35 LYS H H 35 8.479 8.479 8.578 -0.099 25098 6628 1 17 . 1 1 36 36 ASN N N 36 118.026 118.026 119.456 -1.430 25098 6629 1 17 . 1 1 36 36 ASN HA H 36 4.611 4.611 4.552 0.059 25098 6630 1 17 . 1 1 36 36 ASN CA C 36 53.478 53.478 53.341 0.137 25098 6631 1 17 . 1 1 36 36 ASN CB C 36 36.839 36.839 36.528 0.311 25098 6632 1 17 . 1 1 36 36 ASN H H 36 8.062 8.062 8.162 -0.100 25098 6633 1 17 . 1 1 37 37 GLY N N 37 111.719 111.719 108.982 2.737 25098 6634 1 17 . 1 1 37 37 GLY CA C 37 45.230 45.230 45.655 -0.425 25098 6635 1 17 . 1 1 37 37 GLY H H 37 8.285 8.285 8.108 0.177 25098 6636 1 17 . 1 1 38 38 TYR N N 38 114.733 114.733 114.200 0.533 25098 6637 1 17 . 1 1 38 38 TYR HA H 38 5.107 5.107 5.265 -0.158 25098 6638 1 17 . 1 1 38 38 TYR CA C 38 55.398 55.398 55.314 0.084 25098 6639 1 17 . 1 1 38 38 TYR CB C 38 39.246 39.246 40.274 -1.028 25098 6640 1 17 . 1 1 38 38 TYR H H 38 7.158 7.158 7.179 -0.021 25098 6641 1 17 . 1 1 39 39 GLN N N 39 117.964 117.964 117.659 0.305 25098 6642 1 17 . 1 1 39 39 GLN HA H 39 5.472 5.472 5.059 0.413 25098 6643 1 17 . 1 1 39 39 GLN CA C 39 52.396 52.396 53.903 -1.507 25098 6644 1 17 . 1 1 39 39 GLN CB C 39 30.812 30.812 32.383 -1.571 25098 6645 1 17 . 1 1 39 39 GLN H H 39 9.401 9.401 8.886 0.515 25098 6646 1 17 . 1 1 40 40 GLU N N 40 123.527 123.527 121.319 2.208 25098 6647 1 17 . 1 1 40 40 GLU HA H 40 5.809 5.809 5.579 0.230 25098 6648 1 17 . 1 1 40 40 GLU CA C 40 54.574 54.574 54.933 -0.359 25098 6649 1 17 . 1 1 40 40 GLU CB C 40 35.999 35.999 34.388 1.611 25098 6650 1 17 . 1 1 40 40 GLU H H 40 9.027 9.027 8.907 0.120 25098 6651 1 17 . 1 1 41 41 ILE N N 41 124.884 124.884 122.875 2.009 25098 6652 1 17 . 1 1 41 41 ILE HA H 41 4.686 4.686 4.514 0.172 25098 6653 1 17 . 1 1 41 41 ILE CA C 41 59.126 59.126 60.236 -1.110 25098 6654 1 17 . 1 1 41 41 ILE CB C 41 42.658 42.658 42.107 0.551 25098 6655 1 17 . 1 1 41 41 ILE H H 41 8.503 8.503 8.261 0.242 25098 6656 1 17 . 1 1 42 42 ARG N N 42 127.316 127.316 128.913 -1.597 25098 6657 1 17 . 1 1 42 42 ARG HA H 42 5.136 5.136 4.586 0.550 25098 6658 1 17 . 1 1 42 42 ARG CA C 42 54.461 54.461 55.818 -1.357 25098 6659 1 17 . 1 1 42 42 ARG CB C 42 32.141 32.141 30.602 1.539 25098 6660 1 17 . 1 1 42 42 ARG H H 42 7.942 7.942 8.629 -0.687 25098 6661 1 17 . 1 1 43 43 VAL N N 43 126.060 126.060 127.158 -1.098 25098 6662 1 17 . 1 1 43 43 VAL HA H 43 4.357 4.357 4.265 0.092 25098 6663 1 17 . 1 1 43 43 VAL CA C 43 61.020 61.020 61.820 -0.800 25098 6664 1 17 . 1 1 43 43 VAL CB C 43 34.375 34.375 33.030 1.345 25098 6665 1 17 . 1 1 43 43 VAL H H 43 9.158 9.158 8.971 0.187 25098 6666 1 17 . 1 1 44 44 GLU N N 44 127.592 127.592 129.094 -1.502 25098 6667 1 17 . 1 1 44 44 GLU HA H 44 4.782 4.782 4.337 0.445 25098 6668 1 17 . 1 1 44 44 GLU CA C 44 55.944 55.944 56.748 -0.805 25098 6669 1 17 . 1 1 44 44 GLU CB C 44 31.779 31.779 30.177 1.602 25098 6670 1 17 . 1 1 44 44 GLU H H 44 9.086 9.086 8.932 0.154 25098 6671 1 17 . 1 1 45 45 VAL N N 45 126.323 126.323 128.519 -2.196 25098 6672 1 17 . 1 1 45 45 VAL HA H 45 4.910 4.910 4.673 0.237 25098 6673 1 17 . 1 1 45 45 VAL CA C 45 61.122 61.122 61.730 -0.608 25098 6674 1 17 . 1 1 45 45 VAL CB C 45 31.501 31.501 32.222 -0.721 25098 6675 1 17 . 1 1 45 45 VAL H H 45 8.617 8.617 9.006 -0.389 25098 6676 1 17 . 1 1 46 46 MET N N 46 127.658 127.658 124.171 3.487 25098 6677 1 17 . 1 1 46 46 MET HA H 46 4.755 4.755 4.846 -0.091 25098 6678 1 17 . 1 1 46 46 MET CA C 46 55.999 55.999 54.309 1.690 25098 6679 1 17 . 1 1 46 46 MET CB C 46 32.530 32.530 33.314 -0.784 25098 6680 1 17 . 1 1 46 46 MET H H 46 8.319 8.319 8.155 0.164 25098 6681 1 17 . 1 1 47 47 GLY N N 47 119.231 119.231 108.301 10.930 25098 6682 1 17 . 1 1 47 47 GLY CA C 47 46.863 46.863 45.547 1.317 25098 6683 1 17 . 1 1 47 47 GLY H H 47 10.065 10.065 8.470 1.595 25098 6684 1 17 . 1 1 48 48 GLY N N 48 102.924 102.924 105.114 -2.190 25098 6685 1 17 . 1 1 48 48 GLY CA C 48 43.176 43.176 44.019 -0.843 25098 6686 1 17 . 1 1 48 48 GLY H H 48 6.639 6.639 7.451 -0.812 25098 6687 1 17 . 1 1 49 49 TYR N N 49 120.115 120.115 119.179 0.936 25098 6688 1 17 . 1 1 49 49 TYR HA H 49 5.267 5.267 4.934 0.333 25098 6689 1 17 . 1 1 49 49 TYR CA C 49 56.991 56.991 57.663 -0.671 25098 6690 1 17 . 1 1 49 49 TYR CB C 49 40.490 40.490 37.872 2.618 25098 6691 1 17 . 1 1 49 49 TYR H H 49 8.364 8.364 8.466 -0.102 25098 6692 1 17 . 1 1 50 50 THR N N 50 117.545 117.545 119.434 -1.889 25098 6693 1 17 . 1 1 50 50 THR HA H 50 4.742 4.742 4.337 0.405 25098 6694 1 17 . 1 1 50 50 THR CA C 50 59.224 59.224 65.516 -6.292 25098 6695 1 17 . 1 1 50 50 THR CB C 50 71.576 71.576 67.964 3.612 25098 6696 1 17 . 1 1 50 50 THR H H 50 8.574 8.574 8.326 0.248 25098 6697 1 17 . 1 1 51 51 PRO HA H 51 4.928 4.928 4.671 0.257 25098 6698 1 17 . 1 1 51 51 PRO CA C 51 63.206 63.206 62.987 0.219 25098 6699 1 17 . 1 1 51 51 PRO CB C 51 34.946 34.946 31.208 3.738 25098 6700 1 17 . 1 1 52 52 GLU N N 52 114.661 114.661 121.315 -6.654 25098 6701 1 17 . 1 1 52 52 GLU HA H 52 4.468 4.468 4.048 0.420 25098 6702 1 17 . 1 1 52 52 GLU CA C 52 55.828 55.828 59.090 -3.262 25098 6703 1 17 . 1 1 52 52 GLU CB C 52 30.239 30.239 29.872 0.367 25098 6704 1 17 . 1 1 52 52 GLU H H 52 8.351 8.351 8.439 -0.088 25098 6705 1 17 . 1 1 53 53 LEU N N 53 123.273 123.273 116.339 6.934 25098 6706 1 17 . 1 1 53 53 LEU HA H 53 5.504 5.504 5.535 -0.031 25098 6707 1 17 . 1 1 53 53 LEU CA C 53 54.005 54.005 52.206 1.799 25098 6708 1 17 . 1 1 53 53 LEU CB C 53 44.276 44.276 44.154 0.123 25098 6709 1 17 . 1 1 53 53 LEU H H 53 7.476 7.476 7.338 0.138 25098 6710 1 17 . 1 1 54 54 ILE N N 54 121.159 121.159 120.179 0.980 25098 6711 1 17 . 1 1 54 54 ILE HA H 54 5.238 5.238 5.356 -0.118 25098 6712 1 17 . 1 1 54 54 ILE CA C 54 59.006 59.006 59.104 -0.098 25098 6713 1 17 . 1 1 54 54 ILE CB C 54 41.979 41.979 39.054 2.925 25098 6714 1 17 . 1 1 54 54 ILE H H 54 8.732 8.732 9.154 -0.422 25098 6715 1 17 . 1 1 55 55 VAL N N 55 123.295 123.295 126.964 -3.669 25098 6716 1 17 . 1 1 55 55 VAL HA H 55 5.138 5.138 4.926 0.212 25098 6717 1 17 . 1 1 55 55 VAL CA C 55 61.216 61.216 62.148 -0.932 25098 6718 1 17 . 1 1 55 55 VAL CB C 55 33.376 33.376 32.591 0.785 25098 6719 1 17 . 1 1 55 55 VAL H H 55 8.456 8.456 8.794 -0.338 25098 6720 1 17 . 1 1 56 56 LEU N N 56 129.681 129.681 127.496 2.185 25098 6721 1 17 . 1 1 56 56 LEU HA H 56 4.637 4.637 4.776 -0.139 25098 6722 1 17 . 1 1 56 56 LEU CA C 56 53.044 53.044 53.591 -0.547 25098 6723 1 17 . 1 1 56 56 LEU CB C 56 45.712 45.712 46.117 -0.404 25098 6724 1 17 . 1 1 56 56 LEU H H 56 9.646 9.646 9.217 0.429 25098 6725 1 17 . 1 1 57 57 LYS N N 57 121.874 121.874 118.832 3.042 25098 6726 1 17 . 1 1 57 57 LYS HA H 57 4.815 4.815 4.426 0.389 25098 6727 1 17 . 1 1 57 57 LYS CA C 57 55.095 55.095 55.600 -0.505 25098 6728 1 17 . 1 1 57 57 LYS CB C 57 33.701 33.701 33.732 -0.031 25098 6729 1 17 . 1 1 57 57 LYS H H 57 9.619 9.619 8.355 1.264 25098 6730 1 17 . 1 1 58 58 LYS N N 58 124.865 124.865 120.995 3.870 25098 6731 1 17 . 1 1 58 58 LYS HA H 58 3.714 3.714 4.548 -0.834 25098 6732 1 17 . 1 1 58 58 LYS CA C 58 57.532 57.532 55.308 2.224 25098 6733 1 17 . 1 1 58 58 LYS CB C 58 33.246 33.246 34.151 -0.905 25098 6734 1 17 . 1 1 58 58 LYS H H 58 8.793 8.793 8.175 0.618 25098 6735 1 17 . 1 1 59 59 SER N N 59 113.482 113.482 117.978 -4.496 25098 6736 1 17 . 1 1 59 59 SER HA H 59 4.084 4.084 4.085 -0.001 25098 6737 1 17 . 1 1 59 59 SER CA C 59 61.005 61.005 59.828 1.177 25098 6738 1 17 . 1 1 59 59 SER CB C 59 60.917 60.917 62.594 -1.677 25098 6739 1 17 . 1 1 59 59 SER H H 59 8.946 8.946 9.072 -0.126 25098 6740 1 17 . 1 1 60 60 VAL N N 60 123.081 123.081 120.947 2.134 25098 6741 1 17 . 1 1 60 60 VAL HA H 60 4.448 4.448 4.579 -0.131 25098 6742 1 17 . 1 1 60 60 VAL CA C 60 59.101 59.101 58.471 0.630 25098 6743 1 17 . 1 1 60 60 VAL CB C 60 33.818 33.818 34.696 -0.878 25098 6744 1 17 . 1 1 60 60 VAL H H 60 6.974 6.974 7.503 -0.529 25098 6745 1 17 . 1 1 61 61 PRO HA H 61 4.405 4.405 4.574 -0.169 25098 6746 1 17 . 1 1 61 61 PRO CA C 61 64.752 64.752 63.074 1.678 25098 6747 1 17 . 1 1 61 61 PRO CB C 61 32.273 32.273 31.142 1.131 25098 6748 1 17 . 1 1 62 62 ALA N N 62 124.881 124.881 126.551 -1.670 25098 6749 1 17 . 1 1 62 62 ALA HA H 62 5.452 5.452 5.266 0.186 25098 6750 1 17 . 1 1 62 62 ALA CA C 62 49.746 49.746 50.228 -0.483 25098 6751 1 17 . 1 1 62 62 ALA CB C 62 22.483 22.483 22.754 -0.271 25098 6752 1 17 . 1 1 62 62 ALA H H 62 9.244 9.244 9.099 0.145 25098 6753 1 17 . 1 1 63 63 ARG N N 63 122.869 122.869 122.168 0.701 25098 6754 1 17 . 1 1 63 63 ARG HA H 63 4.498 4.498 5.488 -0.990 25098 6755 1 17 . 1 1 63 63 ARG CA C 63 55.022 55.022 53.552 1.470 25098 6756 1 17 . 1 1 63 63 ARG CB C 63 31.637 31.637 33.036 -1.399 25098 6757 1 17 . 1 1 63 63 ARG H H 63 8.858 8.858 9.094 -0.236 25098 6758 1 17 . 1 1 64 64 ILE N N 64 125.797 125.797 125.090 0.707 25098 6759 1 17 . 1 1 64 64 ILE HA H 64 4.367 4.367 4.348 0.019 25098 6760 1 17 . 1 1 64 64 ILE CA C 64 60.028 60.028 58.292 1.736 25098 6761 1 17 . 1 1 64 64 ILE CB C 64 37.499 37.499 37.108 0.391 25098 6762 1 17 . 1 1 64 64 ILE H H 64 9.033 9.033 8.866 0.167 25098 6763 1 17 . 1 1 65 65 VAL N N 65 127.998 127.998 128.978 -0.980 25098 6764 1 17 . 1 1 65 65 VAL HA H 65 4.122 4.122 4.146 -0.024 25098 6765 1 17 . 1 1 65 65 VAL CA C 65 61.697 61.697 62.154 -0.457 25098 6766 1 17 . 1 1 65 65 VAL CB C 65 32.480 32.480 30.780 1.700 25098 6767 1 17 . 1 1 65 65 VAL H H 65 8.800 8.800 8.864 -0.064 25098 6768 1 17 . 1 1 66 66 PHE N N 66 126.431 126.431 128.913 -2.482 25098 6769 1 17 . 1 1 66 66 PHE HA H 66 5.190 5.190 5.102 0.088 25098 6770 1 17 . 1 1 66 66 PHE CA C 66 58.012 58.012 57.117 0.895 25098 6771 1 17 . 1 1 66 66 PHE CB C 66 41.731 41.731 40.054 1.677 25098 6772 1 17 . 1 1 66 66 PHE H H 66 9.536 9.536 9.218 0.318 25098 6773 1 17 . 1 1 67 67 ASP N N 67 123.469 123.469 125.104 -1.635 25098 6774 1 17 . 1 1 67 67 ASP HA H 67 4.986 4.986 5.124 -0.138 25098 6775 1 17 . 1 1 67 67 ASP CA C 67 52.158 52.158 53.018 -0.860 25098 6776 1 17 . 1 1 67 67 ASP CB C 67 42.083 42.083 42.335 -0.252 25098 6777 1 17 . 1 1 67 67 ASP H H 67 8.806 8.806 9.035 -0.229 25098 6778 1 17 . 1 1 68 68 ARG N N 68 124.864 124.864 128.736 -3.872 25098 6779 1 17 . 1 1 68 68 ARG HA H 68 4.760 4.760 4.394 0.366 25098 6780 1 17 . 1 1 68 68 ARG CA C 68 58.018 58.018 56.637 1.381 25098 6781 1 17 . 1 1 68 68 ARG CB C 68 30.605 30.605 29.599 1.006 25098 6782 1 17 . 1 1 68 68 ARG H H 68 8.598 8.598 8.267 0.331 25098 6783 1 17 . 1 1 69 69 LYS N N 69 126.910 126.910 125.491 1.419 25098 6784 1 17 . 1 1 69 69 LYS HA H 69 4.662 4.662 4.326 0.336 25098 6785 1 17 . 1 1 69 69 LYS CA C 69 55.222 55.222 57.214 -1.992 25098 6786 1 17 . 1 1 69 69 LYS CB C 69 34.788 34.788 33.195 1.593 25098 6787 1 17 . 1 1 69 69 LYS H H 69 8.348 8.348 8.664 -0.316 25098 6788 1 17 . 1 1 70 70 ASP N N 70 119.420 119.420 119.359 0.061 25098 6789 1 17 . 1 1 70 70 ASP HA H 70 5.085 5.085 4.978 0.107 25098 6790 1 17 . 1 1 70 70 ASP CA C 70 49.872 49.872 51.416 -1.544 25098 6791 1 17 . 1 1 70 70 ASP CB C 70 45.194 45.194 42.883 2.312 25098 6792 1 17 . 1 1 70 70 ASP H H 70 6.675 6.675 7.805 -1.130 25098 6793 1 17 . 1 1 71 71 PRO HA H 71 4.589 4.589 4.523 0.066 25098 6794 1 17 . 1 1 71 71 PRO CA C 71 63.781 63.781 62.690 1.091 25098 6795 1 17 . 1 1 72 72 SER N N 72 121.578 121.578 118.614 2.964 25098 6796 1 17 . 1 1 72 72 SER HA H 72 4.462 4.462 4.501 -0.039 25098 6797 1 17 . 1 1 72 72 SER CA C 72 57.029 57.029 57.119 -0.090 25098 6798 1 17 . 1 1 72 72 SER CB C 72 63.781 63.781 63.026 0.755 25098 6799 1 17 . 1 1 72 72 SER H H 72 8.624 8.624 7.716 0.908 25098 6800 1 17 . 1 1 73 73 PRO HA H 73 4.348 4.348 4.463 -0.115 25098 6801 1 17 . 1 1 73 73 PRO CA C 73 64.297 64.297 65.154 -0.857 25098 6802 1 17 . 1 1 74 74 CYS N N 74 114.456 114.456 113.298 1.158 25098 6803 1 17 . 1 1 74 74 CYS HA H 74 4.320 4.320 4.450 -0.130 25098 6804 1 17 . 1 1 74 74 CYS CA C 74 60.192 60.192 58.092 2.100 25098 6805 1 17 . 1 1 74 74 CYS CB C 74 27.035 27.035 25.892 1.143 25098 6806 1 17 . 1 1 74 74 CYS H H 74 8.010 8.010 8.242 -0.232 25098 6807 1 17 . 1 1 75 75 LEU N N 75 120.476 120.476 118.231 2.245 25098 6808 1 17 . 1 1 75 75 LEU HA H 75 4.546 4.546 4.499 0.047 25098 6809 1 17 . 1 1 75 75 LEU CA C 75 53.987 53.987 53.975 0.012 25098 6810 1 17 . 1 1 75 75 LEU CB C 75 41.083 41.083 42.277 -1.194 25098 6811 1 17 . 1 1 75 75 LEU H H 75 7.629 7.629 7.397 0.232 25098 6812 1 17 . 1 1 76 76 ASP N N 76 117.861 117.861 119.554 -1.693 25098 6813 1 17 . 1 1 76 76 ASP HA H 76 4.466 4.466 4.486 -0.020 25098 6814 1 17 . 1 1 76 76 ASP CB C 76 41.608 41.608 42.233 -0.625 25098 6815 1 17 . 1 1 76 76 ASP H H 76 7.465 7.465 7.418 0.047 25098 6816 1 17 . 1 1 77 77 GLN HA H 77 5.368 5.368 4.899 0.469 25098 6817 1 17 . 1 1 77 77 GLN CA C 77 53.830 53.830 54.655 -0.825 25098 6818 1 17 . 1 1 77 77 GLN CB C 77 33.290 33.290 32.042 1.248 25098 6819 1 17 . 1 1 78 78 ILE N N 78 123.134 123.134 125.631 -2.497 25098 6820 1 17 . 1 1 78 78 ILE HA H 78 4.893 4.893 4.406 0.487 25098 6821 1 17 . 1 1 78 78 ILE CA C 78 56.862 56.862 59.785 -2.923 25098 6822 1 17 . 1 1 78 78 ILE CB C 78 42.611 42.611 41.359 1.252 25098 6823 1 17 . 1 1 78 78 ILE H H 78 9.043 9.043 9.151 -0.108 25098 6824 1 17 . 1 1 79 79 VAL N N 79 125.068 125.068 127.954 -2.886 25098 6825 1 17 . 1 1 79 79 VAL HA H 79 4.911 4.911 5.361 -0.450 25098 6826 1 17 . 1 1 79 79 VAL CB C 79 35.336 35.336 35.081 0.255 25098 6827 1 17 . 1 1 79 79 VAL H H 79 8.911 8.911 7.973 0.938 25098 6828 1 17 . 1 1 80 80 PHE N N 80 123.479 123.479 127.904 -4.425 25098 6829 1 17 . 1 1 80 80 PHE HA H 80 5.574 5.574 5.271 0.303 25098 6830 1 17 . 1 1 80 80 PHE CA C 80 53.684 53.684 55.981 -2.297 25098 6831 1 17 . 1 1 80 80 PHE CB C 80 39.905 39.905 38.974 0.931 25098 6832 1 17 . 1 1 80 80 PHE H H 80 8.628 8.628 9.673 -1.045 25098 6833 1 17 . 1 1 81 81 PRO HA H 81 4.427 4.427 4.334 0.093 25098 6834 1 17 . 1 1 81 81 PRO CA C 81 65.254 65.254 65.288 -0.034 25098 6835 1 17 . 1 1 81 81 PRO CB C 81 32.319 32.319 31.554 0.765 25098 6836 1 17 . 1 1 82 82 ASP N N 82 114.119 114.119 115.708 -1.589 25098 6837 1 17 . 1 1 82 82 ASP HA H 82 4.484 4.484 4.756 -0.272 25098 6838 1 17 . 1 1 82 82 ASP CA C 82 55.569 55.569 55.623 -0.054 25098 6839 1 17 . 1 1 82 82 ASP CB C 82 41.625 41.625 41.924 -0.299 25098 6840 1 17 . 1 1 82 82 ASP H H 82 8.692 8.692 8.526 0.166 25098 6841 1 17 . 1 1 83 83 PHE N N 83 113.198 113.198 118.504 -5.306 25098 6842 1 17 . 1 1 83 83 PHE HA H 83 4.618 4.618 4.747 -0.129 25098 6843 1 17 . 1 1 83 83 PHE CA C 83 57.454 57.454 58.632 -1.178 25098 6844 1 17 . 1 1 83 83 PHE CB C 83 41.445 41.445 40.853 0.591 25098 6845 1 17 . 1 1 83 83 PHE H H 83 7.434 7.434 7.993 -0.559 25098 6846 1 17 . 1 1 84 84 GLY N N 84 108.212 108.212 108.234 -0.022 25098 6847 1 17 . 1 1 84 84 GLY CA C 84 46.552 46.552 45.678 0.873 25098 6848 1 17 . 1 1 84 84 GLY H H 84 7.677 7.677 8.902 -1.225 25098 6849 1 17 . 1 1 85 85 VAL N N 85 117.875 117.875 124.381 -6.506 25098 6850 1 17 . 1 1 85 85 VAL HA H 85 4.270 4.270 4.227 0.043 25098 6851 1 17 . 1 1 85 85 VAL CA C 85 61.664 61.664 63.316 -1.651 25098 6852 1 17 . 1 1 85 85 VAL CB C 85 34.286 34.286 31.496 2.790 25098 6853 1 17 . 1 1 85 85 VAL H H 85 7.075 7.075 7.858 -0.783 25098 6854 1 17 . 1 1 86 86 HIS N N 86 129.355 129.355 124.092 5.263 25098 6855 1 17 . 1 1 86 86 HIS HA H 86 5.204 5.204 5.760 -0.556 25098 6856 1 17 . 1 1 86 86 HIS CA C 86 55.513 55.513 53.526 1.987 25098 6857 1 17 . 1 1 86 86 HIS CB C 86 31.131 31.131 31.142 -0.011 25098 6858 1 17 . 1 1 86 86 HIS H H 86 8.921 8.921 8.428 0.493 25098 6859 1 17 . 1 1 87 87 ALA N N 87 126.717 126.717 127.671 -0.954 25098 6860 1 17 . 1 1 87 87 ALA HA H 87 4.749 4.749 4.733 0.016 25098 6861 1 17 . 1 1 87 87 ALA CA C 87 50.886 50.886 50.449 0.437 25098 6862 1 17 . 1 1 87 87 ALA CB C 87 22.088 22.088 22.704 -0.616 25098 6863 1 17 . 1 1 87 87 ALA H H 87 8.799 8.799 9.089 -0.290 25098 6864 1 17 . 1 1 88 88 ASN N N 88 119.348 119.348 119.252 0.096 25098 6865 1 17 . 1 1 88 88 ASN HA H 88 5.125 5.125 5.150 -0.025 25098 6866 1 17 . 1 1 88 88 ASN CA C 88 51.796 51.796 52.504 -0.708 25098 6867 1 17 . 1 1 88 88 ASN CB C 88 39.015 39.015 39.491 -0.476 25098 6868 1 17 . 1 1 88 88 ASN H H 88 8.230 8.230 8.673 -0.443 25098 6869 1 17 . 1 1 89 89 LEU N N 89 122.766 122.766 124.590 -1.824 25098 6870 1 17 . 1 1 89 89 LEU HA H 89 4.440 4.440 5.040 -0.600 25098 6871 1 17 . 1 1 89 89 LEU CA C 89 50.791 50.791 52.601 -1.810 25098 6872 1 17 . 1 1 89 89 LEU CB C 89 42.662 42.662 41.935 0.727 25098 6873 1 17 . 1 1 89 89 LEU H H 89 8.356 8.356 8.729 -0.373 25098 6874 1 17 . 1 1 90 90 PRO HA H 90 4.434 4.434 4.545 -0.111 25098 6875 1 17 . 1 1 90 90 PRO CA C 90 61.669 61.669 62.127 -0.459 25098 6876 1 17 . 1 1 91 91 MET N N 91 121.751 121.751 125.649 -3.898 25098 6877 1 17 . 1 1 91 91 MET HA H 91 4.144 4.144 4.099 0.045 25098 6878 1 17 . 1 1 91 91 MET CA C 91 55.460 55.460 55.292 0.168 25098 6879 1 17 . 1 1 91 91 MET CB C 91 30.951 30.951 32.322 -1.371 25098 6880 1 17 . 1 1 91 91 MET H H 91 8.709 8.709 8.596 0.113 25098 6881 1 17 . 1 1 92 92 GLY N N 92 112.856 112.856 113.948 -1.092 25098 6882 1 17 . 1 1 92 92 GLY CA C 92 46.265 46.265 44.998 1.267 25098 6883 1 17 . 1 1 92 92 GLY H H 92 8.325 8.325 8.720 -0.395 25098 6884 1 17 . 1 1 93 93 GLU N N 93 116.930 116.930 119.049 -2.119 25098 6885 1 17 . 1 1 93 93 GLU HA H 93 4.747 4.747 4.631 0.116 25098 6886 1 17 . 1 1 93 93 GLU CA C 93 54.151 54.151 54.306 -0.155 25098 6887 1 17 . 1 1 93 93 GLU CB C 93 33.784 33.784 33.307 0.477 25098 6888 1 17 . 1 1 93 93 GLU H H 93 7.331 7.331 7.966 -0.635 25098 6889 1 17 . 1 1 94 94 GLU N N 94 119.837 119.837 119.608 0.229 25098 6890 1 17 . 1 1 94 94 GLU HA H 94 5.103 5.103 5.291 -0.188 25098 6891 1 17 . 1 1 94 94 GLU CA C 94 55.340 55.340 55.467 -0.127 25098 6892 1 17 . 1 1 94 94 GLU CB C 94 31.196 31.196 31.615 -0.419 25098 6893 1 17 . 1 1 94 94 GLU H H 94 8.418 8.418 8.689 -0.271 25098 6894 1 17 . 1 1 95 95 TYR N N 95 124.949 124.949 126.218 -1.269 25098 6895 1 17 . 1 1 95 95 TYR HA H 95 4.637 4.637 4.835 -0.198 25098 6896 1 17 . 1 1 95 95 TYR CA C 95 58.125 58.125 55.745 2.380 25098 6897 1 17 . 1 1 95 95 TYR CB C 95 43.144 43.144 40.617 2.527 25098 6898 1 17 . 1 1 95 95 TYR H H 95 9.059 9.059 9.283 -0.224 25098 6899 1 17 . 1 1 96 96 VAL N N 96 128.075 128.075 128.572 -0.497 25098 6900 1 17 . 1 1 96 96 VAL HA H 96 4.440 4.440 4.793 -0.353 25098 6901 1 17 . 1 1 96 96 VAL CA C 96 61.772 61.772 60.488 1.284 25098 6902 1 17 . 1 1 96 96 VAL CB C 96 32.805 32.805 33.468 -0.663 25098 6903 1 17 . 1 1 96 96 VAL H H 96 7.795 7.795 8.929 -1.134 25098 6904 1 17 . 1 1 97 97 VAL N N 97 129.541 129.541 129.518 0.023 25098 6905 1 17 . 1 1 97 97 VAL HA H 97 3.917 3.917 4.071 -0.154 25098 6906 1 17 . 1 1 97 97 VAL CA C 97 61.821 61.821 61.261 0.560 25098 6907 1 17 . 1 1 97 97 VAL CB C 97 33.313 33.313 32.964 0.349 25098 6908 1 17 . 1 1 97 97 VAL H H 97 9.110 9.110 8.921 0.189 25098 6909 1 17 . 1 1 98 98 GLU N N 98 127.575 127.575 129.175 -1.600 25098 6910 1 17 . 1 1 98 98 GLU HA H 98 5.237 5.237 4.800 0.437 25098 6911 1 17 . 1 1 98 98 GLU CA C 98 54.576 54.576 56.080 -1.504 25098 6912 1 17 . 1 1 98 98 GLU CB C 98 30.995 30.995 30.409 0.586 25098 6913 1 17 . 1 1 98 98 GLU H H 98 8.166 8.166 8.678 -0.512 25098 6914 1 17 . 1 1 99 99 ILE N N 99 118.374 118.374 122.207 -3.833 25098 6915 1 17 . 1 1 99 99 ILE HA H 99 4.386 4.386 4.558 -0.172 25098 6916 1 17 . 1 1 99 99 ILE CA C 99 59.143 59.143 58.822 0.322 25098 6917 1 17 . 1 1 99 99 ILE CB C 99 43.580 43.580 41.837 1.743 25098 6918 1 17 . 1 1 99 99 ILE H H 99 7.881 7.881 8.934 -1.053 25098 6919 1 17 . 1 1 100 100 THR N N 100 119.619 119.619 117.617 2.002 25098 6920 1 17 . 1 1 100 100 THR HA H 100 4.717 4.717 4.831 -0.114 25098 6921 1 17 . 1 1 100 100 THR CA C 100 58.983 58.983 59.198 -0.215 25098 6922 1 17 . 1 1 100 100 THR CB C 100 69.121 69.121 68.728 0.393 25098 6923 1 17 . 1 1 100 100 THR H H 100 8.885 8.885 8.390 0.495 25098 6924 1 17 . 1 1 101 101 PRO HA H 101 4.620 4.620 4.700 -0.080 25098 6925 1 17 . 1 1 101 101 PRO CA C 101 62.096 62.096 62.917 -0.821 25098 6926 1 17 . 1 1 101 101 PRO CB C 101 32.296 32.296 31.621 0.675 25098 6927 1 17 . 1 1 102 102 GLU N N 102 124.589 124.589 123.861 0.728 25098 6928 1 17 . 1 1 102 102 GLU HA H 102 4.379 4.379 4.415 -0.036 25098 6929 1 17 . 1 1 102 102 GLU CA C 102 56.649 56.649 56.509 0.140 25098 6930 1 17 . 1 1 102 102 GLU CB C 102 30.740 30.740 30.141 0.599 25098 6931 1 17 . 1 1 102 102 GLU H H 102 8.574 8.574 8.496 0.078 25098 6932 1 17 . 1 1 103 103 GLN N N 103 118.304 118.304 117.457 0.847 25098 6933 1 17 . 1 1 103 103 GLN HA H 103 4.662 4.662 4.463 0.199 25098 6934 1 17 . 1 1 103 103 GLN CA C 103 53.956 53.956 55.609 -1.653 25098 6935 1 17 . 1 1 103 103 GLN CB C 103 31.762 31.762 32.281 -0.519 25098 6936 1 17 . 1 1 103 103 GLN H H 103 8.518 8.518 7.519 0.999 25098 6937 1 17 . 1 1 104 104 ALA N N 104 124.603 124.603 126.003 -1.400 25098 6938 1 17 . 1 1 104 104 ALA HA H 104 4.195 4.195 4.617 -0.422 25098 6939 1 17 . 1 1 104 104 ALA CA C 104 51.886 51.886 51.952 -0.065 25098 6940 1 17 . 1 1 104 104 ALA CB C 104 19.377 19.377 19.270 0.107 25098 6941 1 17 . 1 1 104 104 ALA H H 104 8.575 8.575 8.426 0.149 25098 6942 1 17 . 1 1 105 105 GLY N N 105 108.486 108.486 111.769 -3.283 25098 6943 1 17 . 1 1 105 105 GLY CA C 105 44.726 44.726 45.338 -0.612 25098 6944 1 17 . 1 1 105 105 GLY H H 105 8.710 8.710 8.140 0.570 25098 6945 1 17 . 1 1 106 106 GLU N N 106 118.462 118.462 120.646 -2.184 25098 6946 1 17 . 1 1 106 106 GLU HA H 106 5.098 5.098 5.131 -0.033 25098 6947 1 17 . 1 1 106 106 GLU CA C 106 54.382 54.382 55.869 -1.487 25098 6948 1 17 . 1 1 106 106 GLU CB C 106 31.878 31.878 31.234 0.644 25098 6949 1 17 . 1 1 106 106 GLU H H 106 7.620 7.620 8.300 -0.680 25098 6950 1 17 . 1 1 107 107 PHE N N 107 123.388 123.388 124.785 -1.397 25098 6951 1 17 . 1 1 107 107 PHE HA H 107 4.999 4.999 5.091 -0.092 25098 6952 1 17 . 1 1 107 107 PHE CA C 107 56.623 56.623 56.911 -0.288 25098 6953 1 17 . 1 1 107 107 PHE CB C 107 43.035 43.035 42.965 0.070 25098 6954 1 17 . 1 1 107 107 PHE H H 107 9.381 9.381 9.506 -0.125 25098 6955 1 17 . 1 1 108 108 SER N N 108 117.621 117.621 115.230 2.391 25098 6956 1 17 . 1 1 108 108 SER HA H 108 5.137 5.137 5.271 -0.134 25098 6957 1 17 . 1 1 108 108 SER CA C 108 58.465 58.465 57.039 1.426 25098 6958 1 17 . 1 1 108 108 SER CB C 108 65.864 65.864 66.502 -0.638 25098 6959 1 17 . 1 1 108 108 SER H H 108 8.846 8.846 9.411 -0.565 25098 6960 1 17 . 1 1 109 109 PHE N N 109 116.119 116.119 115.258 0.861 25098 6961 1 17 . 1 1 109 109 PHE HA H 109 5.154 5.154 4.824 0.330 25098 6962 1 17 . 1 1 109 109 PHE CA C 109 55.800 55.800 56.605 -0.805 25098 6963 1 17 . 1 1 109 109 PHE CB C 109 39.858 39.858 40.698 -0.840 25098 6964 1 17 . 1 1 109 109 PHE H H 109 7.646 7.646 8.277 -0.631 25098 6965 1 17 . 1 1 110 110 ALA N N 110 121.615 121.615 122.138 -0.523 25098 6966 1 17 . 1 1 110 110 ALA HA H 110 5.258 5.258 4.758 0.500 25098 6967 1 17 . 1 1 110 110 ALA CA C 110 50.940 50.940 51.732 -0.792 25098 6968 1 17 . 1 1 110 110 ALA CB C 110 24.724 24.724 22.488 2.236 25098 6969 1 17 . 1 1 110 110 ALA H H 110 8.826 8.826 8.355 0.471 25098 6970 1 17 . 1 1 111 111 CYS N N 111 114.162 114.162 118.818 -4.656 25098 6971 1 17 . 1 1 111 111 CYS HA H 111 5.372 5.372 4.836 0.536 25098 6972 1 17 . 1 1 111 111 CYS CA C 111 55.651 55.651 57.797 -2.146 25098 6973 1 17 . 1 1 111 111 CYS CB C 111 33.551 33.551 29.300 4.251 25098 6974 1 17 . 1 1 111 111 CYS H H 111 7.820 7.820 8.628 -0.808 25098 6975 1 17 . 1 1 112 112 GLY N N 112 108.348 108.348 116.648 -8.300 25098 6976 1 17 . 1 1 112 112 GLY H H 112 8.277 8.277 8.920 -0.643 25098 6977 1 17 . 1 1 117 117 HIS N N 117 117.324 117.324 119.479 -2.155 25098 6978 1 17 . 1 1 117 117 HIS HA H 117 4.540 4.540 4.765 -0.225 25098 6979 1 17 . 1 1 117 117 HIS CA C 117 56.897 56.897 56.233 0.665 25098 6980 1 17 . 1 1 117 117 HIS CB C 117 29.675 29.675 31.638 -1.963 25098 6981 1 17 . 1 1 117 117 HIS H H 117 8.670 8.670 8.773 -0.103 25098 6982 1 17 . 1 1 118 118 GLY N N 118 109.716 109.716 110.812 -1.096 25098 6983 1 17 . 1 1 118 118 GLY CA C 118 43.143 43.143 44.606 -1.463 25098 6984 1 17 . 1 1 118 118 GLY H H 118 8.350 8.350 8.051 0.299 25098 6985 1 17 . 1 1 119 119 LYS N N 119 120.631 120.631 125.926 -5.295 25098 6986 1 17 . 1 1 119 119 LYS HA H 119 4.949 4.949 5.054 -0.105 25098 6987 1 17 . 1 1 119 119 LYS CA C 119 55.192 55.192 54.462 0.730 25098 6988 1 17 . 1 1 119 119 LYS CB C 119 36.931 36.931 37.200 -0.269 25098 6989 1 17 . 1 1 119 119 LYS H H 119 8.561 8.561 8.928 -0.367 25098 6990 1 17 . 1 1 120 120 MET N N 120 123.525 123.525 123.897 -0.372 25098 6991 1 17 . 1 1 120 120 MET HA H 120 5.565 5.565 5.336 0.229 25098 6992 1 17 . 1 1 120 120 MET CA C 120 53.142 53.142 54.846 -1.704 25098 6993 1 17 . 1 1 120 120 MET CB C 120 37.448 37.448 37.611 -0.162 25098 6994 1 17 . 1 1 120 120 MET H H 120 9.329 9.329 9.210 0.119 25098 6995 1 17 . 1 1 121 121 ILE N N 121 127.707 127.707 126.964 0.743 25098 6996 1 17 . 1 1 121 121 ILE HA H 121 4.890 4.890 5.011 -0.121 25098 6997 1 17 . 1 1 121 121 ILE CA C 121 60.048 60.048 60.373 -0.325 25098 6998 1 17 . 1 1 121 121 ILE CB C 121 39.806 39.806 40.262 -0.456 25098 6999 1 17 . 1 1 121 121 ILE H H 121 9.471 9.471 9.335 0.136 25098 7000 1 17 . 1 1 122 122 VAL N N 122 127.738 127.738 127.803 -0.065 25098 7001 1 17 . 1 1 122 122 VAL HA H 122 4.994 4.994 4.812 0.182 25098 7002 1 17 . 1 1 122 122 VAL CA C 122 60.618 60.618 61.734 -1.116 25098 7003 1 17 . 1 1 122 122 VAL CB C 122 33.297 33.297 32.657 0.640 25098 7004 1 17 . 1 1 122 122 VAL H H 122 9.350 9.350 8.972 0.378 25098 7005 1 18 . 1 1 28 28 MET N N 28 119.966 119.966 115.655 4.311 25098 7006 1 18 . 1 1 28 28 MET H H 28 8.438 8.438 7.922 0.516 25098 7007 1 18 . 1 1 29 29 GLY N N 29 109.326 109.326 105.150 4.176 25098 7008 1 18 . 1 1 29 29 GLY CA C 29 44.803 44.803 44.713 0.090 25098 7009 1 18 . 1 1 29 29 GLY H H 29 8.343 8.343 8.137 0.206 25098 7010 1 18 . 1 1 30 30 GLN N N 30 121.171 121.171 121.853 -0.682 25098 7011 1 18 . 1 1 30 30 GLN HA H 30 4.548 4.548 4.658 -0.110 25098 7012 1 18 . 1 1 30 30 GLN CA C 30 54.981 54.981 54.884 0.097 25098 7013 1 18 . 1 1 30 30 GLN CB C 30 30.824 30.824 32.281 -1.457 25098 7014 1 18 . 1 1 30 30 GLN H H 30 8.174 8.174 9.021 -0.847 25098 7015 1 18 . 1 1 31 31 LYS N N 31 125.160 125.160 126.079 -0.919 25098 7016 1 18 . 1 1 31 31 LYS HA H 31 4.829 4.829 4.341 0.488 25098 7017 1 18 . 1 1 31 31 LYS CA C 31 55.952 55.952 56.014 -0.062 25098 7018 1 18 . 1 1 31 31 LYS CB C 31 33.322 33.322 33.461 -0.139 25098 7019 1 18 . 1 1 31 31 LYS H H 31 8.713 8.713 8.799 -0.086 25098 7020 1 18 . 1 1 32 32 ALA N N 32 123.842 123.842 129.248 -5.406 25098 7021 1 18 . 1 1 32 32 ALA HA H 32 4.125 4.125 4.256 -0.131 25098 7022 1 18 . 1 1 32 32 ALA CA C 32 52.301 52.301 51.933 0.368 25098 7023 1 18 . 1 1 32 32 ALA CB C 32 18.956 18.956 20.095 -1.139 25098 7024 1 18 . 1 1 32 32 ALA H H 32 8.152 8.152 8.128 0.024 25098 7025 1 18 . 1 1 33 33 GLN N N 33 121.807 121.807 120.578 1.229 25098 7026 1 18 . 1 1 33 33 GLN HA H 33 4.380 4.380 4.309 0.071 25098 7027 1 18 . 1 1 33 33 GLN CA C 33 55.299 55.299 55.361 -0.062 25098 7028 1 18 . 1 1 33 33 GLN CB C 33 29.835 29.835 29.658 0.177 25098 7029 1 18 . 1 1 33 33 GLN H H 33 8.808 8.808 8.485 0.323 25098 7030 1 18 . 1 1 34 34 GLN N N 34 124.320 124.320 123.786 0.534 25098 7031 1 18 . 1 1 34 34 GLN HA H 34 4.212 4.212 4.326 -0.114 25098 7032 1 18 . 1 1 34 34 GLN CA C 34 55.368 55.368 55.466 -0.098 25098 7033 1 18 . 1 1 34 34 GLN CB C 34 27.615 27.615 29.421 -1.806 25098 7034 1 18 . 1 1 34 34 GLN H H 34 9.025 9.025 8.503 0.522 25098 7035 1 18 . 1 1 35 35 LYS N N 35 126.662 126.662 123.582 3.080 25098 7036 1 18 . 1 1 35 35 LYS HA H 35 4.441 4.441 4.260 0.181 25098 7037 1 18 . 1 1 35 35 LYS CA C 35 54.126 54.126 54.331 -0.205 25098 7038 1 18 . 1 1 35 35 LYS CB C 35 31.475 31.475 32.812 -1.337 25098 7039 1 18 . 1 1 35 35 LYS H H 35 8.479 8.479 8.581 -0.102 25098 7040 1 18 . 1 1 36 36 ASN N N 36 118.026 118.026 118.607 -0.581 25098 7041 1 18 . 1 1 36 36 ASN HA H 36 4.611 4.611 4.526 0.085 25098 7042 1 18 . 1 1 36 36 ASN CA C 36 53.478 53.478 53.628 -0.150 25098 7043 1 18 . 1 1 36 36 ASN CB C 36 36.839 36.839 37.264 -0.425 25098 7044 1 18 . 1 1 36 36 ASN H H 36 8.062 8.062 8.178 -0.116 25098 7045 1 18 . 1 1 37 37 GLY N N 37 111.719 111.719 108.591 3.128 25098 7046 1 18 . 1 1 37 37 GLY CA C 37 45.230 45.230 45.524 -0.294 25098 7047 1 18 . 1 1 37 37 GLY H H 37 8.285 8.285 8.185 0.100 25098 7048 1 18 . 1 1 38 38 TYR N N 38 114.733 114.733 114.329 0.404 25098 7049 1 18 . 1 1 38 38 TYR HA H 38 5.107 5.107 5.287 -0.180 25098 7050 1 18 . 1 1 38 38 TYR CA C 38 55.398 55.398 55.164 0.234 25098 7051 1 18 . 1 1 38 38 TYR CB C 38 39.246 39.246 40.261 -1.014 25098 7052 1 18 . 1 1 38 38 TYR H H 38 7.158 7.158 7.184 -0.026 25098 7053 1 18 . 1 1 39 39 GLN N N 39 117.964 117.964 117.635 0.329 25098 7054 1 18 . 1 1 39 39 GLN HA H 39 5.472 5.472 5.092 0.380 25098 7055 1 18 . 1 1 39 39 GLN CA C 39 52.396 52.396 53.849 -1.453 25098 7056 1 18 . 1 1 39 39 GLN CB C 39 30.812 30.812 32.395 -1.583 25098 7057 1 18 . 1 1 39 39 GLN H H 39 9.401 9.401 8.944 0.457 25098 7058 1 18 . 1 1 40 40 GLU N N 40 123.527 123.527 121.150 2.377 25098 7059 1 18 . 1 1 40 40 GLU HA H 40 5.809 5.809 5.583 0.226 25098 7060 1 18 . 1 1 40 40 GLU CA C 40 54.574 54.574 54.780 -0.206 25098 7061 1 18 . 1 1 40 40 GLU CB C 40 35.999 35.999 34.437 1.562 25098 7062 1 18 . 1 1 40 40 GLU H H 40 9.027 9.027 8.917 0.110 25098 7063 1 18 . 1 1 41 41 ILE N N 41 124.884 124.884 122.679 2.205 25098 7064 1 18 . 1 1 41 41 ILE HA H 41 4.686 4.686 4.512 0.174 25098 7065 1 18 . 1 1 41 41 ILE CA C 41 59.126 59.126 60.342 -1.216 25098 7066 1 18 . 1 1 41 41 ILE CB C 41 42.658 42.658 42.064 0.594 25098 7067 1 18 . 1 1 41 41 ILE H H 41 8.503 8.503 8.237 0.266 25098 7068 1 18 . 1 1 42 42 ARG N N 42 127.316 127.316 129.324 -2.008 25098 7069 1 18 . 1 1 42 42 ARG HA H 42 5.136 5.136 4.522 0.614 25098 7070 1 18 . 1 1 42 42 ARG CA C 42 54.461 54.461 55.829 -1.368 25098 7071 1 18 . 1 1 42 42 ARG CB C 42 32.141 32.141 30.351 1.790 25098 7072 1 18 . 1 1 42 42 ARG H H 42 7.942 7.942 8.669 -0.727 25098 7073 1 18 . 1 1 43 43 VAL N N 43 126.060 126.060 128.619 -2.559 25098 7074 1 18 . 1 1 43 43 VAL HA H 43 4.357 4.357 4.148 0.209 25098 7075 1 18 . 1 1 43 43 VAL CA C 43 61.020 61.020 61.735 -0.715 25098 7076 1 18 . 1 1 43 43 VAL CB C 43 34.375 34.375 32.156 2.219 25098 7077 1 18 . 1 1 43 43 VAL H H 43 9.158 9.158 8.948 0.210 25098 7078 1 18 . 1 1 44 44 GLU N N 44 127.592 127.592 129.311 -1.719 25098 7079 1 18 . 1 1 44 44 GLU HA H 44 4.782 4.782 4.326 0.456 25098 7080 1 18 . 1 1 44 44 GLU CA C 44 55.944 55.944 56.673 -0.729 25098 7081 1 18 . 1 1 44 44 GLU CB C 44 31.779 31.779 30.163 1.615 25098 7082 1 18 . 1 1 44 44 GLU H H 44 9.086 9.086 8.922 0.164 25098 7083 1 18 . 1 1 45 45 VAL N N 45 126.323 126.323 128.418 -2.095 25098 7084 1 18 . 1 1 45 45 VAL HA H 45 4.910 4.910 4.709 0.201 25098 7085 1 18 . 1 1 45 45 VAL CA C 45 61.122 61.122 61.641 -0.519 25098 7086 1 18 . 1 1 45 45 VAL CB C 45 31.501 31.501 32.342 -0.841 25098 7087 1 18 . 1 1 45 45 VAL H H 45 8.617 8.617 8.974 -0.357 25098 7088 1 18 . 1 1 46 46 MET N N 46 127.658 127.658 124.407 3.251 25098 7089 1 18 . 1 1 46 46 MET HA H 46 4.755 4.755 4.850 -0.095 25098 7090 1 18 . 1 1 46 46 MET CA C 46 55.999 55.999 54.300 1.699 25098 7091 1 18 . 1 1 46 46 MET CB C 46 32.530 32.530 33.106 -0.576 25098 7092 1 18 . 1 1 46 46 MET H H 46 8.319 8.319 8.017 0.302 25098 7093 1 18 . 1 1 47 47 GLY N N 47 119.231 119.231 106.471 12.760 25098 7094 1 18 . 1 1 47 47 GLY CA C 47 46.863 46.863 45.145 1.718 25098 7095 1 18 . 1 1 47 47 GLY H H 47 10.065 10.065 8.671 1.394 25098 7096 1 18 . 1 1 48 48 GLY N N 48 102.924 102.924 105.801 -2.877 25098 7097 1 18 . 1 1 48 48 GLY CA C 48 43.176 43.176 44.513 -1.337 25098 7098 1 18 . 1 1 48 48 GLY H H 48 6.639 6.639 7.530 -0.891 25098 7099 1 18 . 1 1 49 49 TYR N N 49 120.115 120.115 118.211 1.904 25098 7100 1 18 . 1 1 49 49 TYR HA H 49 5.267 5.267 4.925 0.342 25098 7101 1 18 . 1 1 49 49 TYR CA C 49 56.991 56.991 57.370 -0.379 25098 7102 1 18 . 1 1 49 49 TYR CB C 49 40.490 40.490 38.593 1.897 25098 7103 1 18 . 1 1 49 49 TYR H H 49 8.364 8.364 8.253 0.111 25098 7104 1 18 . 1 1 50 50 THR N N 50 117.545 117.545 119.377 -1.832 25098 7105 1 18 . 1 1 50 50 THR HA H 50 4.742 4.742 4.299 0.443 25098 7106 1 18 . 1 1 50 50 THR CA C 50 59.224 59.224 65.756 -6.532 25098 7107 1 18 . 1 1 50 50 THR CB C 50 71.576 71.576 67.779 3.797 25098 7108 1 18 . 1 1 50 50 THR H H 50 8.574 8.574 8.418 0.156 25098 7109 1 18 . 1 1 51 51 PRO HA H 51 4.928 4.928 4.782 0.146 25098 7110 1 18 . 1 1 51 51 PRO CA C 51 63.206 63.206 62.796 0.410 25098 7111 1 18 . 1 1 51 51 PRO CB C 51 34.946 34.946 31.592 3.354 25098 7112 1 18 . 1 1 52 52 GLU N N 52 114.661 114.661 121.964 -7.303 25098 7113 1 18 . 1 1 52 52 GLU HA H 52 4.468 4.468 4.078 0.390 25098 7114 1 18 . 1 1 52 52 GLU CA C 52 55.828 55.828 58.972 -3.144 25098 7115 1 18 . 1 1 52 52 GLU CB C 52 30.239 30.239 29.895 0.344 25098 7116 1 18 . 1 1 52 52 GLU H H 52 8.351 8.351 8.470 -0.119 25098 7117 1 18 . 1 1 53 53 LEU N N 53 123.273 123.273 116.348 6.925 25098 7118 1 18 . 1 1 53 53 LEU HA H 53 5.504 5.504 5.484 0.020 25098 7119 1 18 . 1 1 53 53 LEU CA C 53 54.005 54.005 52.803 1.202 25098 7120 1 18 . 1 1 53 53 LEU CB C 53 44.276 44.276 44.044 0.232 25098 7121 1 18 . 1 1 53 53 LEU H H 53 7.476 7.476 7.537 -0.061 25098 7122 1 18 . 1 1 54 54 ILE N N 54 121.159 121.159 120.378 0.781 25098 7123 1 18 . 1 1 54 54 ILE HA H 54 5.238 5.238 5.325 -0.087 25098 7124 1 18 . 1 1 54 54 ILE CA C 54 59.006 59.006 59.148 -0.142 25098 7125 1 18 . 1 1 54 54 ILE CB C 54 41.979 41.979 39.391 2.588 25098 7126 1 18 . 1 1 54 54 ILE H H 54 8.732 8.732 9.198 -0.466 25098 7127 1 18 . 1 1 55 55 VAL N N 55 123.295 123.295 126.611 -3.316 25098 7128 1 18 . 1 1 55 55 VAL HA H 55 5.138 5.138 5.012 0.126 25098 7129 1 18 . 1 1 55 55 VAL CA C 55 61.216 61.216 60.916 0.300 25098 7130 1 18 . 1 1 55 55 VAL CB C 55 33.376 33.376 31.711 1.665 25098 7131 1 18 . 1 1 55 55 VAL H H 55 8.456 8.456 8.736 -0.280 25098 7132 1 18 . 1 1 56 56 LEU N N 56 129.681 129.681 127.750 1.931 25098 7133 1 18 . 1 1 56 56 LEU HA H 56 4.637 4.637 4.884 -0.247 25098 7134 1 18 . 1 1 56 56 LEU CA C 56 53.044 53.044 53.133 -0.089 25098 7135 1 18 . 1 1 56 56 LEU CB C 56 45.712 45.712 46.347 -0.635 25098 7136 1 18 . 1 1 56 56 LEU H H 56 9.646 9.646 9.185 0.461 25098 7137 1 18 . 1 1 57 57 LYS N N 57 121.874 121.874 119.207 2.667 25098 7138 1 18 . 1 1 57 57 LYS HA H 57 4.815 4.815 4.591 0.224 25098 7139 1 18 . 1 1 57 57 LYS CA C 57 55.095 55.095 55.427 -0.332 25098 7140 1 18 . 1 1 57 57 LYS CB C 57 33.701 33.701 34.332 -0.631 25098 7141 1 18 . 1 1 57 57 LYS H H 57 9.619 9.619 8.340 1.279 25098 7142 1 18 . 1 1 58 58 LYS N N 58 124.865 124.865 121.500 3.365 25098 7143 1 18 . 1 1 58 58 LYS HA H 58 3.714 3.714 4.553 -0.839 25098 7144 1 18 . 1 1 58 58 LYS CA C 58 57.532 57.532 55.720 1.812 25098 7145 1 18 . 1 1 58 58 LYS CB C 58 33.246 33.246 33.805 -0.559 25098 7146 1 18 . 1 1 58 58 LYS H H 58 8.793 8.793 7.923 0.870 25098 7147 1 18 . 1 1 59 59 SER N N 59 113.482 113.482 117.803 -4.321 25098 7148 1 18 . 1 1 59 59 SER HA H 59 4.084 4.084 4.082 0.002 25098 7149 1 18 . 1 1 59 59 SER CA C 59 61.005 61.005 59.807 1.198 25098 7150 1 18 . 1 1 59 59 SER CB C 59 60.917 60.917 62.610 -1.693 25098 7151 1 18 . 1 1 59 59 SER H H 59 8.946 8.946 9.053 -0.107 25098 7152 1 18 . 1 1 60 60 VAL N N 60 123.081 123.081 121.012 2.069 25098 7153 1 18 . 1 1 60 60 VAL HA H 60 4.448 4.448 4.576 -0.128 25098 7154 1 18 . 1 1 60 60 VAL CA C 60 59.101 59.101 58.488 0.613 25098 7155 1 18 . 1 1 60 60 VAL CB C 60 33.818 33.818 34.739 -0.921 25098 7156 1 18 . 1 1 60 60 VAL H H 60 6.974 6.974 7.471 -0.497 25098 7157 1 18 . 1 1 61 61 PRO HA H 61 4.405 4.405 4.573 -0.168 25098 7158 1 18 . 1 1 61 61 PRO CA C 61 64.752 64.752 63.033 1.719 25098 7159 1 18 . 1 1 61 61 PRO CB C 61 32.273 32.273 31.191 1.082 25098 7160 1 18 . 1 1 62 62 ALA N N 62 124.881 124.881 126.479 -1.598 25098 7161 1 18 . 1 1 62 62 ALA HA H 62 5.452 5.452 5.271 0.181 25098 7162 1 18 . 1 1 62 62 ALA CA C 62 49.746 49.746 50.236 -0.490 25098 7163 1 18 . 1 1 62 62 ALA CB C 62 22.483 22.483 22.750 -0.268 25098 7164 1 18 . 1 1 62 62 ALA H H 62 9.244 9.244 9.153 0.091 25098 7165 1 18 . 1 1 63 63 ARG N N 63 122.869 122.869 122.381 0.488 25098 7166 1 18 . 1 1 63 63 ARG HA H 63 4.498 4.498 5.433 -0.935 25098 7167 1 18 . 1 1 63 63 ARG CA C 63 55.022 55.022 53.547 1.475 25098 7168 1 18 . 1 1 63 63 ARG CB C 63 31.637 31.637 32.837 -1.200 25098 7169 1 18 . 1 1 63 63 ARG H H 63 8.858 8.858 9.031 -0.173 25098 7170 1 18 . 1 1 64 64 ILE N N 64 125.797 125.797 125.267 0.530 25098 7171 1 18 . 1 1 64 64 ILE HA H 64 4.367 4.367 4.304 0.063 25098 7172 1 18 . 1 1 64 64 ILE CA C 64 60.028 60.028 58.463 1.565 25098 7173 1 18 . 1 1 64 64 ILE CB C 64 37.499 37.499 37.100 0.399 25098 7174 1 18 . 1 1 64 64 ILE H H 64 9.033 9.033 8.849 0.184 25098 7175 1 18 . 1 1 65 65 VAL N N 65 127.998 127.998 128.824 -0.826 25098 7176 1 18 . 1 1 65 65 VAL HA H 65 4.122 4.122 4.180 -0.058 25098 7177 1 18 . 1 1 65 65 VAL CA C 65 61.697 61.697 61.867 -0.170 25098 7178 1 18 . 1 1 65 65 VAL CB C 65 32.480 32.480 30.901 1.579 25098 7179 1 18 . 1 1 65 65 VAL H H 65 8.800 8.800 8.823 -0.023 25098 7180 1 18 . 1 1 66 66 PHE N N 66 126.431 126.431 128.692 -2.261 25098 7181 1 18 . 1 1 66 66 PHE HA H 66 5.190 5.190 5.169 0.021 25098 7182 1 18 . 1 1 66 66 PHE CA C 66 58.012 58.012 56.911 1.101 25098 7183 1 18 . 1 1 66 66 PHE CB C 66 41.731 41.731 40.157 1.574 25098 7184 1 18 . 1 1 66 66 PHE H H 66 9.536 9.536 9.400 0.136 25098 7185 1 18 . 1 1 67 67 ASP N N 67 123.469 123.469 125.174 -1.705 25098 7186 1 18 . 1 1 67 67 ASP HA H 67 4.986 4.986 5.092 -0.106 25098 7187 1 18 . 1 1 67 67 ASP CA C 67 52.158 52.158 53.078 -0.920 25098 7188 1 18 . 1 1 67 67 ASP CB C 67 42.083 42.083 42.050 0.034 25098 7189 1 18 . 1 1 67 67 ASP H H 67 8.806 8.806 8.929 -0.123 25098 7190 1 18 . 1 1 68 68 ARG N N 68 124.864 124.864 128.554 -3.690 25098 7191 1 18 . 1 1 68 68 ARG HA H 68 4.760 4.760 4.340 0.420 25098 7192 1 18 . 1 1 68 68 ARG CA C 68 58.018 58.018 56.850 1.168 25098 7193 1 18 . 1 1 68 68 ARG CB C 68 30.605 30.605 29.640 0.965 25098 7194 1 18 . 1 1 68 68 ARG H H 68 8.598 8.598 8.257 0.341 25098 7195 1 18 . 1 1 69 69 LYS N N 69 126.910 126.910 125.646 1.264 25098 7196 1 18 . 1 1 69 69 LYS HA H 69 4.662 4.662 4.380 0.282 25098 7197 1 18 . 1 1 69 69 LYS CA C 69 55.222 55.222 56.629 -1.407 25098 7198 1 18 . 1 1 69 69 LYS CB C 69 34.788 34.788 33.496 1.292 25098 7199 1 18 . 1 1 69 69 LYS H H 69 8.348 8.348 8.737 -0.389 25098 7200 1 18 . 1 1 70 70 ASP N N 70 119.420 119.420 119.706 -0.286 25098 7201 1 18 . 1 1 70 70 ASP HA H 70 5.085 5.085 4.950 0.135 25098 7202 1 18 . 1 1 70 70 ASP CA C 70 49.872 49.872 50.980 -1.107 25098 7203 1 18 . 1 1 70 70 ASP CB C 70 45.194 45.194 42.946 2.248 25098 7204 1 18 . 1 1 70 70 ASP H H 70 6.675 6.675 7.840 -1.165 25098 7205 1 18 . 1 1 71 71 PRO HA H 71 4.589 4.589 4.548 0.041 25098 7206 1 18 . 1 1 71 71 PRO CA C 71 63.781 63.781 62.409 1.372 25098 7207 1 18 . 1 1 72 72 SER N N 72 121.578 121.578 118.044 3.534 25098 7208 1 18 . 1 1 72 72 SER HA H 72 4.462 4.462 4.512 -0.050 25098 7209 1 18 . 1 1 72 72 SER CA C 72 57.029 57.029 56.985 0.044 25098 7210 1 18 . 1 1 72 72 SER CB C 72 63.781 63.781 63.747 0.034 25098 7211 1 18 . 1 1 72 72 SER H H 72 8.624 8.624 7.599 1.025 25098 7212 1 18 . 1 1 73 73 PRO HA H 73 4.348 4.348 4.300 0.048 25098 7213 1 18 . 1 1 73 73 PRO CA C 73 64.297 64.297 64.798 -0.501 25098 7214 1 18 . 1 1 74 74 CYS N N 74 114.456 114.456 113.056 1.400 25098 7215 1 18 . 1 1 74 74 CYS HA H 74 4.320 4.320 4.372 -0.052 25098 7216 1 18 . 1 1 74 74 CYS CA C 74 60.192 60.192 58.822 1.370 25098 7217 1 18 . 1 1 74 74 CYS CB C 74 27.035 27.035 26.782 0.253 25098 7218 1 18 . 1 1 74 74 CYS H H 74 8.010 8.010 8.012 -0.002 25098 7219 1 18 . 1 1 75 75 LEU N N 75 120.476 120.476 118.178 2.298 25098 7220 1 18 . 1 1 75 75 LEU HA H 75 4.546 4.546 4.457 0.089 25098 7221 1 18 . 1 1 75 75 LEU CA C 75 53.987 53.987 53.985 0.002 25098 7222 1 18 . 1 1 75 75 LEU CB C 75 41.083 41.083 42.570 -1.487 25098 7223 1 18 . 1 1 75 75 LEU H H 75 7.629 7.629 7.409 0.220 25098 7224 1 18 . 1 1 76 76 ASP N N 76 117.861 117.861 118.920 -1.059 25098 7225 1 18 . 1 1 76 76 ASP HA H 76 4.466 4.466 4.394 0.072 25098 7226 1 18 . 1 1 76 76 ASP CB C 76 41.608 41.608 42.144 -0.536 25098 7227 1 18 . 1 1 76 76 ASP H H 76 7.465 7.465 7.450 0.015 25098 7228 1 18 . 1 1 77 77 GLN HA H 77 5.368 5.368 4.584 0.784 25098 7229 1 18 . 1 1 77 77 GLN CA C 77 53.830 53.830 54.599 -0.769 25098 7230 1 18 . 1 1 77 77 GLN CB C 77 33.290 33.290 33.383 -0.093 25098 7231 1 18 . 1 1 78 78 ILE N N 78 123.134 123.134 120.427 2.707 25098 7232 1 18 . 1 1 78 78 ILE HA H 78 4.893 4.893 4.402 0.491 25098 7233 1 18 . 1 1 78 78 ILE CA C 78 56.862 56.862 60.227 -3.365 25098 7234 1 18 . 1 1 78 78 ILE CB C 78 42.611 42.611 41.788 0.823 25098 7235 1 18 . 1 1 78 78 ILE H H 78 9.043 9.043 8.887 0.156 25098 7236 1 18 . 1 1 79 79 VAL N N 79 125.068 125.068 128.404 -3.336 25098 7237 1 18 . 1 1 79 79 VAL HA H 79 4.911 4.911 5.370 -0.459 25098 7238 1 18 . 1 1 79 79 VAL CB C 79 35.336 35.336 35.023 0.313 25098 7239 1 18 . 1 1 79 79 VAL H H 79 8.911 8.911 8.015 0.896 25098 7240 1 18 . 1 1 80 80 PHE N N 80 123.479 123.479 128.145 -4.666 25098 7241 1 18 . 1 1 80 80 PHE HA H 80 5.574 5.574 5.288 0.286 25098 7242 1 18 . 1 1 80 80 PHE CA C 80 53.684 53.684 55.829 -2.145 25098 7243 1 18 . 1 1 80 80 PHE CB C 80 39.905 39.905 39.396 0.509 25098 7244 1 18 . 1 1 80 80 PHE H H 80 8.628 8.628 9.587 -0.959 25098 7245 1 18 . 1 1 81 81 PRO HA H 81 4.427 4.427 4.419 0.008 25098 7246 1 18 . 1 1 81 81 PRO CA C 81 65.254 65.254 65.137 0.117 25098 7247 1 18 . 1 1 81 81 PRO CB C 81 32.319 32.319 31.572 0.747 25098 7248 1 18 . 1 1 82 82 ASP N N 82 114.119 114.119 116.788 -2.669 25098 7249 1 18 . 1 1 82 82 ASP HA H 82 4.484 4.484 4.772 -0.288 25098 7250 1 18 . 1 1 82 82 ASP CA C 82 55.569 55.569 55.482 0.087 25098 7251 1 18 . 1 1 82 82 ASP CB C 82 41.625 41.625 41.843 -0.218 25098 7252 1 18 . 1 1 82 82 ASP H H 82 8.692 8.692 8.617 0.075 25098 7253 1 18 . 1 1 83 83 PHE N N 83 113.198 113.198 118.683 -5.485 25098 7254 1 18 . 1 1 83 83 PHE HA H 83 4.618 4.618 4.737 -0.119 25098 7255 1 18 . 1 1 83 83 PHE CA C 83 57.454 57.454 58.721 -1.268 25098 7256 1 18 . 1 1 83 83 PHE CB C 83 41.445 41.445 40.940 0.506 25098 7257 1 18 . 1 1 83 83 PHE H H 83 7.434 7.434 7.842 -0.408 25098 7258 1 18 . 1 1 84 84 GLY N N 84 108.212 108.212 109.099 -0.887 25098 7259 1 18 . 1 1 84 84 GLY CA C 84 46.552 46.552 45.506 1.046 25098 7260 1 18 . 1 1 84 84 GLY H H 84 7.677 7.677 8.670 -0.993 25098 7261 1 18 . 1 1 85 85 VAL N N 85 117.875 117.875 122.754 -4.879 25098 7262 1 18 . 1 1 85 85 VAL HA H 85 4.270 4.270 4.131 0.139 25098 7263 1 18 . 1 1 85 85 VAL CA C 85 61.664 61.664 61.780 -0.116 25098 7264 1 18 . 1 1 85 85 VAL CB C 85 34.286 34.286 32.562 1.724 25098 7265 1 18 . 1 1 85 85 VAL H H 85 7.075 7.075 7.473 -0.398 25098 7266 1 18 . 1 1 86 86 HIS N N 86 129.355 129.355 124.330 5.025 25098 7267 1 18 . 1 1 86 86 HIS HA H 86 5.204 5.204 5.575 -0.371 25098 7268 1 18 . 1 1 86 86 HIS CA C 86 55.513 55.513 53.347 2.166 25098 7269 1 18 . 1 1 86 86 HIS CB C 86 31.131 31.131 30.438 0.693 25098 7270 1 18 . 1 1 86 86 HIS H H 86 8.921 8.921 8.356 0.565 25098 7271 1 18 . 1 1 87 87 ALA N N 87 126.717 126.717 127.974 -1.257 25098 7272 1 18 . 1 1 87 87 ALA HA H 87 4.749 4.749 4.795 -0.046 25098 7273 1 18 . 1 1 87 87 ALA CA C 87 50.886 50.886 50.252 0.634 25098 7274 1 18 . 1 1 87 87 ALA CB C 87 22.088 22.088 22.935 -0.847 25098 7275 1 18 . 1 1 87 87 ALA H H 87 8.799 8.799 9.152 -0.353 25098 7276 1 18 . 1 1 88 88 ASN N N 88 119.348 119.348 118.109 1.239 25098 7277 1 18 . 1 1 88 88 ASN HA H 88 5.125 5.125 4.755 0.370 25098 7278 1 18 . 1 1 88 88 ASN CA C 88 51.796 51.796 52.333 -0.537 25098 7279 1 18 . 1 1 88 88 ASN CB C 88 39.015 39.015 40.187 -1.171 25098 7280 1 18 . 1 1 88 88 ASN H H 88 8.230 8.230 8.309 -0.079 25098 7281 1 18 . 1 1 89 89 LEU N N 89 122.766 122.766 122.928 -0.162 25098 7282 1 18 . 1 1 89 89 LEU HA H 89 4.440 4.440 4.733 -0.293 25098 7283 1 18 . 1 1 89 89 LEU CA C 89 50.791 50.791 51.777 -0.986 25098 7284 1 18 . 1 1 89 89 LEU CB C 89 42.662 42.662 42.591 0.071 25098 7285 1 18 . 1 1 89 89 LEU H H 89 8.356 8.356 8.509 -0.153 25098 7286 1 18 . 1 1 90 90 PRO HA H 90 4.434 4.434 4.603 -0.169 25098 7287 1 18 . 1 1 90 90 PRO CA C 90 61.669 61.669 62.291 -0.622 25098 7288 1 18 . 1 1 91 91 MET N N 91 121.751 121.751 125.499 -3.748 25098 7289 1 18 . 1 1 91 91 MET HA H 91 4.144 4.144 4.087 0.057 25098 7290 1 18 . 1 1 91 91 MET CA C 91 55.460 55.460 55.332 0.128 25098 7291 1 18 . 1 1 91 91 MET CB C 91 30.951 30.951 32.293 -1.342 25098 7292 1 18 . 1 1 91 91 MET H H 91 8.709 8.709 8.591 0.118 25098 7293 1 18 . 1 1 92 92 GLY N N 92 112.856 112.856 113.959 -1.103 25098 7294 1 18 . 1 1 92 92 GLY CA C 92 46.265 46.265 44.993 1.272 25098 7295 1 18 . 1 1 92 92 GLY H H 92 8.325 8.325 8.749 -0.424 25098 7296 1 18 . 1 1 93 93 GLU N N 93 116.930 116.930 119.116 -2.186 25098 7297 1 18 . 1 1 93 93 GLU HA H 93 4.747 4.747 4.655 0.092 25098 7298 1 18 . 1 1 93 93 GLU CA C 93 54.151 54.151 54.310 -0.159 25098 7299 1 18 . 1 1 93 93 GLU CB C 93 33.784 33.784 33.378 0.406 25098 7300 1 18 . 1 1 93 93 GLU H H 93 7.331 7.331 7.982 -0.651 25098 7301 1 18 . 1 1 94 94 GLU N N 94 119.837 119.837 119.428 0.409 25098 7302 1 18 . 1 1 94 94 GLU HA H 94 5.103 5.103 5.260 -0.157 25098 7303 1 18 . 1 1 94 94 GLU CA C 94 55.340 55.340 55.454 -0.114 25098 7304 1 18 . 1 1 94 94 GLU CB C 94 31.196 31.196 31.418 -0.222 25098 7305 1 18 . 1 1 94 94 GLU H H 94 8.418 8.418 8.662 -0.244 25098 7306 1 18 . 1 1 95 95 TYR N N 95 124.949 124.949 126.313 -1.364 25098 7307 1 18 . 1 1 95 95 TYR HA H 95 4.637 4.637 4.806 -0.169 25098 7308 1 18 . 1 1 95 95 TYR CA C 95 58.125 58.125 57.355 0.770 25098 7309 1 18 . 1 1 95 95 TYR CB C 95 43.144 43.144 41.713 1.431 25098 7310 1 18 . 1 1 95 95 TYR H H 95 9.059 9.059 9.248 -0.189 25098 7311 1 18 . 1 1 96 96 VAL N N 96 128.075 128.075 126.600 1.475 25098 7312 1 18 . 1 1 96 96 VAL HA H 96 4.440 4.440 4.904 -0.464 25098 7313 1 18 . 1 1 96 96 VAL CA C 96 61.772 61.772 60.253 1.519 25098 7314 1 18 . 1 1 96 96 VAL CB C 96 32.805 32.805 34.026 -1.221 25098 7315 1 18 . 1 1 96 96 VAL H H 96 7.795 7.795 8.263 -0.468 25098 7316 1 18 . 1 1 97 97 VAL N N 97 129.541 129.541 129.636 -0.095 25098 7317 1 18 . 1 1 97 97 VAL HA H 97 3.917 3.917 4.261 -0.344 25098 7318 1 18 . 1 1 97 97 VAL CA C 97 61.821 61.821 61.468 0.353 25098 7319 1 18 . 1 1 97 97 VAL CB C 97 33.313 33.313 33.099 0.214 25098 7320 1 18 . 1 1 97 97 VAL H H 97 9.110 9.110 8.931 0.179 25098 7321 1 18 . 1 1 98 98 GLU N N 98 127.575 127.575 129.143 -1.568 25098 7322 1 18 . 1 1 98 98 GLU HA H 98 5.237 5.237 4.763 0.473 25098 7323 1 18 . 1 1 98 98 GLU CA C 98 54.576 54.576 56.221 -1.645 25098 7324 1 18 . 1 1 98 98 GLU CB C 98 30.995 30.995 30.286 0.709 25098 7325 1 18 . 1 1 98 98 GLU H H 98 8.166 8.166 8.726 -0.560 25098 7326 1 18 . 1 1 99 99 ILE N N 99 118.374 118.374 122.242 -3.868 25098 7327 1 18 . 1 1 99 99 ILE HA H 99 4.386 4.386 4.524 -0.138 25098 7328 1 18 . 1 1 99 99 ILE CA C 99 59.143 59.143 58.803 0.340 25098 7329 1 18 . 1 1 99 99 ILE CB C 99 43.580 43.580 41.845 1.735 25098 7330 1 18 . 1 1 99 99 ILE H H 99 7.881 7.881 8.930 -1.049 25098 7331 1 18 . 1 1 100 100 THR N N 100 119.619 119.619 117.635 1.984 25098 7332 1 18 . 1 1 100 100 THR HA H 100 4.717 4.717 4.823 -0.106 25098 7333 1 18 . 1 1 100 100 THR CA C 100 58.983 58.983 59.176 -0.193 25098 7334 1 18 . 1 1 100 100 THR CB C 100 69.121 69.121 68.754 0.367 25098 7335 1 18 . 1 1 100 100 THR H H 100 8.885 8.885 8.348 0.537 25098 7336 1 18 . 1 1 101 101 PRO HA H 101 4.620 4.620 4.712 -0.092 25098 7337 1 18 . 1 1 101 101 PRO CA C 101 62.096 62.096 62.959 -0.863 25098 7338 1 18 . 1 1 101 101 PRO CB C 101 32.296 32.296 31.720 0.577 25098 7339 1 18 . 1 1 102 102 GLU N N 102 124.589 124.589 124.420 0.169 25098 7340 1 18 . 1 1 102 102 GLU HA H 102 4.379 4.379 4.372 0.007 25098 7341 1 18 . 1 1 102 102 GLU CA C 102 56.649 56.649 57.320 -0.671 25098 7342 1 18 . 1 1 102 102 GLU CB C 102 30.740 30.740 30.480 0.260 25098 7343 1 18 . 1 1 102 102 GLU H H 102 8.574 8.574 8.326 0.248 25098 7344 1 18 . 1 1 103 103 GLN N N 103 118.304 118.304 117.281 1.023 25098 7345 1 18 . 1 1 103 103 GLN HA H 103 4.662 4.662 4.576 0.086 25098 7346 1 18 . 1 1 103 103 GLN CA C 103 53.956 53.956 55.009 -1.053 25098 7347 1 18 . 1 1 103 103 GLN CB C 103 31.762 31.762 32.051 -0.289 25098 7348 1 18 . 1 1 103 103 GLN H H 103 8.518 8.518 7.713 0.805 25098 7349 1 18 . 1 1 104 104 ALA N N 104 124.603 124.603 126.197 -1.594 25098 7350 1 18 . 1 1 104 104 ALA HA H 104 4.195 4.195 4.572 -0.377 25098 7351 1 18 . 1 1 104 104 ALA CA C 104 51.886 51.886 52.129 -0.243 25098 7352 1 18 . 1 1 104 104 ALA CB C 104 19.377 19.377 19.320 0.057 25098 7353 1 18 . 1 1 104 104 ALA H H 104 8.575 8.575 8.494 0.081 25098 7354 1 18 . 1 1 105 105 GLY N N 105 108.486 108.486 111.953 -3.467 25098 7355 1 18 . 1 1 105 105 GLY CA C 105 44.726 44.726 45.326 -0.600 25098 7356 1 18 . 1 1 105 105 GLY H H 105 8.710 8.710 8.131 0.579 25098 7357 1 18 . 1 1 106 106 GLU N N 106 118.462 118.462 120.591 -2.129 25098 7358 1 18 . 1 1 106 106 GLU HA H 106 5.098 5.098 5.200 -0.102 25098 7359 1 18 . 1 1 106 106 GLU CA C 106 54.382 54.382 55.947 -1.565 25098 7360 1 18 . 1 1 106 106 GLU CB C 106 31.878 31.878 31.347 0.531 25098 7361 1 18 . 1 1 106 106 GLU H H 106 7.620 7.620 8.313 -0.693 25098 7362 1 18 . 1 1 107 107 PHE N N 107 123.388 123.388 124.224 -0.836 25098 7363 1 18 . 1 1 107 107 PHE HA H 107 4.999 4.999 5.117 -0.118 25098 7364 1 18 . 1 1 107 107 PHE CA C 107 56.623 56.623 56.901 -0.278 25098 7365 1 18 . 1 1 107 107 PHE CB C 107 43.035 43.035 43.230 -0.195 25098 7366 1 18 . 1 1 107 107 PHE H H 107 9.381 9.381 9.521 -0.140 25098 7367 1 18 . 1 1 108 108 SER N N 108 117.621 117.621 114.775 2.846 25098 7368 1 18 . 1 1 108 108 SER HA H 108 5.137 5.137 5.135 0.002 25098 7369 1 18 . 1 1 108 108 SER CA C 108 58.465 58.465 57.742 0.723 25098 7370 1 18 . 1 1 108 108 SER CB C 108 65.864 65.864 66.425 -0.561 25098 7371 1 18 . 1 1 108 108 SER H H 108 8.846 8.846 9.091 -0.245 25098 7372 1 18 . 1 1 109 109 PHE N N 109 116.119 116.119 114.779 1.340 25098 7373 1 18 . 1 1 109 109 PHE HA H 109 5.154 5.154 4.830 0.324 25098 7374 1 18 . 1 1 109 109 PHE CA C 109 55.800 55.800 56.545 -0.746 25098 7375 1 18 . 1 1 109 109 PHE CB C 109 39.858 39.858 40.877 -1.019 25098 7376 1 18 . 1 1 109 109 PHE H H 109 7.646 7.646 8.303 -0.657 25098 7377 1 18 . 1 1 110 110 ALA N N 110 121.615 121.615 123.323 -1.708 25098 7378 1 18 . 1 1 110 110 ALA HA H 110 5.258 5.258 4.834 0.424 25098 7379 1 18 . 1 1 110 110 ALA CA C 110 50.940 50.940 51.529 -0.589 25098 7380 1 18 . 1 1 110 110 ALA CB C 110 24.724 24.724 22.025 2.699 25098 7381 1 18 . 1 1 110 110 ALA H H 110 8.826 8.826 7.960 0.866 25098 7382 1 18 . 1 1 111 111 CYS N N 111 114.162 114.162 118.615 -4.453 25098 7383 1 18 . 1 1 111 111 CYS HA H 111 5.372 5.372 4.673 0.699 25098 7384 1 18 . 1 1 111 111 CYS CA C 111 55.651 55.651 58.657 -3.006 25098 7385 1 18 . 1 1 111 111 CYS CB C 111 33.551 33.551 29.220 4.331 25098 7386 1 18 . 1 1 111 111 CYS H H 111 7.820 7.820 8.772 -0.952 25098 7387 1 18 . 1 1 112 112 GLY N N 112 108.348 108.348 114.901 -6.553 25098 7388 1 18 . 1 1 112 112 GLY H H 112 8.277 8.277 8.317 -0.040 25098 7389 1 18 . 1 1 117 117 HIS N N 117 117.324 117.324 122.844 -5.520 25098 7390 1 18 . 1 1 117 117 HIS HA H 117 4.540 4.540 4.893 -0.353 25098 7391 1 18 . 1 1 117 117 HIS CA C 117 56.897 56.897 56.132 0.765 25098 7392 1 18 . 1 1 117 117 HIS CB C 117 29.675 29.675 33.512 -3.837 25098 7393 1 18 . 1 1 117 117 HIS H H 117 8.670 8.670 8.438 0.232 25098 7394 1 18 . 1 1 118 118 GLY N N 118 109.716 109.716 110.032 -0.316 25098 7395 1 18 . 1 1 118 118 GLY CA C 118 43.143 43.143 44.004 -0.861 25098 7396 1 18 . 1 1 118 118 GLY H H 118 8.350 8.350 8.557 -0.207 25098 7397 1 18 . 1 1 119 119 LYS N N 119 120.631 120.631 122.146 -1.515 25098 7398 1 18 . 1 1 119 119 LYS HA H 119 4.949 4.949 5.042 -0.093 25098 7399 1 18 . 1 1 119 119 LYS CA C 119 55.192 55.192 54.783 0.409 25098 7400 1 18 . 1 1 119 119 LYS CB C 119 36.931 36.931 37.277 -0.346 25098 7401 1 18 . 1 1 119 119 LYS H H 119 8.561 8.561 8.883 -0.322 25098 7402 1 18 . 1 1 120 120 MET N N 120 123.525 123.525 122.886 0.639 25098 7403 1 18 . 1 1 120 120 MET HA H 120 5.565 5.565 5.379 0.186 25098 7404 1 18 . 1 1 120 120 MET CA C 120 53.142 53.142 54.637 -1.495 25098 7405 1 18 . 1 1 120 120 MET CB C 120 37.448 37.448 37.754 -0.306 25098 7406 1 18 . 1 1 120 120 MET H H 120 9.329 9.329 9.253 0.076 25098 7407 1 18 . 1 1 121 121 ILE N N 121 127.707 127.707 125.884 1.823 25098 7408 1 18 . 1 1 121 121 ILE HA H 121 4.890 4.890 5.070 -0.180 25098 7409 1 18 . 1 1 121 121 ILE CA C 121 60.048 60.048 60.382 -0.334 25098 7410 1 18 . 1 1 121 121 ILE CB C 121 39.806 39.806 40.629 -0.823 25098 7411 1 18 . 1 1 121 121 ILE H H 121 9.471 9.471 9.328 0.143 25098 7412 1 18 . 1 1 122 122 VAL N N 122 127.738 127.738 128.004 -0.266 25098 7413 1 18 . 1 1 122 122 VAL HA H 122 4.994 4.994 4.860 0.134 25098 7414 1 18 . 1 1 122 122 VAL CA C 122 60.618 60.618 61.356 -0.738 25098 7415 1 18 . 1 1 122 122 VAL CB C 122 33.297 33.297 32.934 0.363 25098 7416 1 18 . 1 1 122 122 VAL H H 122 9.350 9.350 9.100 0.250 25098 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 83 3.046 0.435 3.033 25098 2 1 1 "Average Difference" HA 97 0.335 -0.038 0.334 25098 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25098 4 1 1 "Average Difference" CA 87 1.293 0.146 1.293 25098 5 1 1 "Average Difference" CB 78 1.413 -0.305 1.389 25098 6 1 1 "Average Difference" HN 83 0.499 0.016 0.502 25098 7 1 2 "Average Difference" N 83 2.917 0.403 2.907 25098 8 1 2 "Average Difference" HA 97 0.349 -0.053 0.347 25098 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25098 10 1 2 "Average Difference" CA 87 1.299 0.162 1.297 25098 11 1 2 "Average Difference" CB 78 1.364 -0.316 1.336 25098 12 1 2 "Average Difference" HN 83 0.537 0.000 0.540 25098 13 1 3 "Average Difference" N 83 3.044 0.107 3.060 25098 14 1 3 "Average Difference" HA 97 0.342 -0.048 0.340 25098 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25098 16 1 3 "Average Difference" CA 87 1.280 0.188 1.274 25098 17 1 3 "Average Difference" CB 78 1.352 -0.290 1.329 25098 18 1 3 "Average Difference" HN 83 0.499 0.010 0.502 25098 19 1 4 "Average Difference" N 83 3.010 0.495 2.988 25098 20 1 4 "Average Difference" HA 97 0.330 -0.018 0.331 25098 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25098 22 1 4 "Average Difference" CA 87 1.210 0.142 1.209 25098 23 1 4 "Average Difference" CB 78 1.394 -0.311 1.368 25098 24 1 4 "Average Difference" HN 83 0.536 0.043 0.538 25098 25 1 5 "Average Difference" N 83 3.142 0.354 3.141 25098 26 1 5 "Average Difference" HA 97 0.346 -0.038 0.345 25098 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25098 28 1 5 "Average Difference" CA 87 1.297 0.155 1.295 25098 29 1 5 "Average Difference" CB 78 1.376 -0.266 1.358 25098 30 1 5 "Average Difference" HN 83 0.529 0.027 0.532 25098 31 1 6 "Average Difference" N 83 2.979 0.610 2.933 25098 32 1 6 "Average Difference" HA 97 0.333 -0.034 0.333 25098 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25098 34 1 6 "Average Difference" CA 87 1.241 0.140 1.240 25098 35 1 6 "Average Difference" CB 78 1.379 -0.295 1.356 25098 36 1 6 "Average Difference" HN 83 0.498 0.030 0.500 25098 37 1 7 "Average Difference" N 83 2.929 0.466 2.909 25098 38 1 7 "Average Difference" HA 97 0.345 -0.047 0.343 25098 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25098 40 1 7 "Average Difference" CA 87 1.250 0.130 1.250 25098 41 1 7 "Average Difference" CB 78 1.315 -0.206 1.307 25098 42 1 7 "Average Difference" HN 83 0.544 0.016 0.548 25098 43 1 8 "Average Difference" N 83 3.053 0.614 3.008 25098 44 1 8 "Average Difference" HA 97 0.330 -0.038 0.329 25098 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25098 46 1 8 "Average Difference" CA 87 1.302 0.176 1.298 25098 47 1 8 "Average Difference" CB 78 1.352 -0.308 1.325 25098 48 1 8 "Average Difference" HN 83 0.519 0.028 0.522 25098 49 1 9 "Average Difference" N 83 3.103 0.412 3.094 25098 50 1 9 "Average Difference" HA 97 0.344 -0.031 0.345 25098 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25098 52 1 9 "Average Difference" CA 87 1.280 0.142 1.279 25098 53 1 9 "Average Difference" CB 78 1.338 -0.221 1.328 25098 54 1 9 "Average Difference" HN 83 0.509 0.026 0.512 25098 55 1 10 "Average Difference" N 83 2.909 0.509 2.882 25098 56 1 10 "Average Difference" HA 97 0.344 -0.048 0.343 25098 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25098 58 1 10 "Average Difference" CA 87 1.315 0.214 1.305 25098 59 1 10 "Average Difference" CB 78 1.287 -0.266 1.268 25098 60 1 10 "Average Difference" HN 83 0.517 0.030 0.520 25098 61 1 11 "Average Difference" N 83 3.082 0.517 3.056 25098 62 1 11 "Average Difference" HA 97 0.342 -0.052 0.339 25098 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25098 64 1 11 "Average Difference" CA 87 1.307 0.193 1.301 25098 65 1 11 "Average Difference" CB 78 1.381 -0.181 1.378 25098 66 1 11 "Average Difference" HN 83 0.506 0.017 0.509 25098 67 1 12 "Average Difference" N 83 3.009 0.556 2.975 25098 68 1 12 "Average Difference" HA 97 0.340 -0.018 0.341 25098 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25098 70 1 12 "Average Difference" CA 87 1.277 0.196 1.269 25098 71 1 12 "Average Difference" CB 78 1.266 -0.191 1.260 25098 72 1 12 "Average Difference" HN 83 0.479 0.038 0.481 25098 73 1 13 "Average Difference" N 83 3.020 0.262 3.027 25098 74 1 13 "Average Difference" HA 97 0.350 -0.028 0.351 25098 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25098 76 1 13 "Average Difference" CA 87 1.294 0.193 1.287 25098 77 1 13 "Average Difference" CB 78 1.367 -0.244 1.354 25098 78 1 13 "Average Difference" HN 83 0.534 0.005 0.537 25098 79 1 14 "Average Difference" N 83 3.043 0.302 3.047 25098 80 1 14 "Average Difference" HA 97 0.346 -0.042 0.345 25098 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25098 82 1 14 "Average Difference" CA 87 1.278 0.151 1.277 25098 83 1 14 "Average Difference" CB 78 1.284 -0.255 1.266 25098 84 1 14 "Average Difference" HN 83 0.525 0.015 0.528 25098 85 1 15 "Average Difference" N 83 3.018 0.500 2.995 25098 86 1 15 "Average Difference" HA 97 0.332 -0.035 0.332 25098 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25098 88 1 15 "Average Difference" CA 87 1.272 0.137 1.272 25098 89 1 15 "Average Difference" CB 78 1.363 -0.275 1.343 25098 90 1 15 "Average Difference" HN 83 0.516 0.031 0.518 25098 91 1 16 "Average Difference" N 83 2.996 0.403 2.987 25098 92 1 16 "Average Difference" HA 97 0.338 -0.021 0.339 25098 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25098 94 1 16 "Average Difference" CA 87 1.268 0.158 1.266 25098 95 1 16 "Average Difference" CB 78 1.313 -0.212 1.304 25098 96 1 16 "Average Difference" HN 83 0.487 0.024 0.489 25098 97 1 17 "Average Difference" N 83 3.048 0.564 3.014 25098 98 1 17 "Average Difference" HA 97 0.336 -0.042 0.335 25098 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25098 100 1 17 "Average Difference" CA 87 1.357 0.243 1.343 25098 101 1 17 "Average Difference" CB 78 1.396 -0.384 1.351 25098 102 1 17 "Average Difference" HN 83 0.539 0.047 0.540 25098 103 1 18 "Average Difference" N 83 3.144 0.302 3.148 25098 104 1 18 "Average Difference" HA 97 0.354 -0.031 0.354 25098 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25098 106 1 18 "Average Difference" CA 87 1.298 0.215 1.288 25098 107 1 18 "Average Difference" CB 78 1.383 -0.252 1.369 25098 108 1 18 "Average Difference" HN 83 0.509 0.017 0.512 25098 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 25098 _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 28 28 MET N N 28 119.966 119.966 120.477 -0.511 25098 2 1 . 1 1 28 28 MET H H 28 8.438 8.438 8.041 0.397 25098 3 1 . 1 1 29 29 GLY N N 29 109.326 109.326 109.303 0.023 25098 4 1 . 1 1 29 29 GLY CA C 29 44.803 44.803 44.454 0.349 25098 5 1 . 1 1 29 29 GLY H H 29 8.343 8.343 7.981 0.362 25098 6 1 . 1 1 30 30 GLN N N 30 121.171 121.171 120.150 1.021 25098 7 1 . 1 1 30 30 GLN HA H 30 4.548 4.548 4.624 -0.076 25098 8 1 . 1 1 30 30 GLN CA C 30 54.981 54.981 54.719 0.262 25098 9 1 . 1 1 30 30 GLN CB C 30 30.824 30.824 32.542 -1.718 25098 10 1 . 1 1 30 30 GLN H H 30 8.174 8.174 8.799 -0.625 25098 11 1 . 1 1 31 31 LYS N N 31 125.160 125.160 125.916 -0.756 25098 12 1 . 1 1 31 31 LYS HA H 31 4.829 4.829 4.350 0.479 25098 13 1 . 1 1 31 31 LYS CA C 31 55.952 55.952 55.977 -0.025 25098 14 1 . 1 1 31 31 LYS CB C 31 33.322 33.322 33.383 -0.061 25098 15 1 . 1 1 31 31 LYS H H 31 8.713 8.713 8.767 -0.054 25098 16 1 . 1 1 32 32 ALA N N 32 123.842 123.842 129.501 -5.659 25098 17 1 . 1 1 32 32 ALA HA H 32 4.125 4.125 4.254 -0.129 25098 18 1 . 1 1 32 32 ALA CA C 32 52.301 52.301 51.973 0.328 25098 19 1 . 1 1 32 32 ALA CB C 32 18.956 18.956 20.051 -1.095 25098 20 1 . 1 1 32 32 ALA H H 32 8.152 8.152 8.128 0.024 25098 21 1 . 1 1 33 33 GLN N N 33 121.807 121.807 120.630 1.177 25098 22 1 . 1 1 33 33 GLN HA H 33 4.380 4.380 4.318 0.062 25098 23 1 . 1 1 33 33 GLN CA C 33 55.299 55.299 55.347 -0.048 25098 24 1 . 1 1 33 33 GLN CB C 33 29.835 29.835 29.641 0.194 25098 25 1 . 1 1 33 33 GLN H H 33 8.808 8.808 8.456 0.352 25098 26 1 . 1 1 34 34 GLN N N 34 124.320 124.320 124.009 0.311 25098 27 1 . 1 1 34 34 GLN HA H 34 4.212 4.212 4.351 -0.139 25098 28 1 . 1 1 34 34 GLN CA C 34 55.368 55.368 55.587 -0.219 25098 29 1 . 1 1 34 34 GLN CB C 34 27.615 27.615 29.319 -1.704 25098 30 1 . 1 1 34 34 GLN H H 34 9.025 9.025 8.502 0.523 25098 31 1 . 1 1 35 35 LYS N N 35 126.662 126.662 123.541 3.121 25098 32 1 . 1 1 35 35 LYS HA H 35 4.441 4.441 4.265 0.176 25098 33 1 . 1 1 35 35 LYS CA C 35 54.126 54.126 54.237 -0.111 25098 34 1 . 1 1 35 35 LYS CB C 35 31.475 31.475 32.716 -1.241 25098 35 1 . 1 1 35 35 LYS H H 35 8.479 8.479 8.569 -0.090 25098 36 1 . 1 1 36 36 ASN N N 36 118.026 118.026 118.929 -0.903 25098 37 1 . 1 1 36 36 ASN HA H 36 4.611 4.611 4.545 0.066 25098 38 1 . 1 1 36 36 ASN CA C 36 53.478 53.478 53.534 -0.056 25098 39 1 . 1 1 36 36 ASN CB C 36 36.839 36.839 36.955 -0.116 25098 40 1 . 1 1 36 36 ASN H H 36 8.062 8.062 8.203 -0.141 25098 41 1 . 1 1 37 37 GLY N N 37 111.719 111.719 108.636 3.083 25098 42 1 . 1 1 37 37 GLY CA C 37 45.230 45.230 45.550 -0.320 25098 43 1 . 1 1 37 37 GLY H H 37 8.285 8.285 8.149 0.136 25098 44 1 . 1 1 38 38 TYR N N 38 114.733 114.733 114.433 0.300 25098 45 1 . 1 1 38 38 TYR HA H 38 5.107 5.107 5.271 -0.164 25098 46 1 . 1 1 38 38 TYR CA C 38 55.398 55.398 55.256 0.142 25098 47 1 . 1 1 38 38 TYR CB C 38 39.246 39.246 40.257 -1.011 25098 48 1 . 1 1 38 38 TYR H H 38 7.158 7.158 7.187 -0.029 25098 49 1 . 1 1 39 39 GLN N N 39 117.964 117.964 117.367 0.597 25098 50 1 . 1 1 39 39 GLN HA H 39 5.472 5.472 5.091 0.381 25098 51 1 . 1 1 39 39 GLN CA C 39 52.396 52.396 53.829 -1.433 25098 52 1 . 1 1 39 39 GLN CB C 39 30.812 30.812 32.517 -1.705 25098 53 1 . 1 1 39 39 GLN H H 39 9.401 9.401 8.928 0.473 25098 54 1 . 1 1 40 40 GLU N N 40 123.527 123.527 121.296 2.231 25098 55 1 . 1 1 40 40 GLU HA H 40 5.809 5.809 5.587 0.222 25098 56 1 . 1 1 40 40 GLU CA C 40 54.574 54.574 54.839 -0.265 25098 57 1 . 1 1 40 40 GLU CB C 40 35.999 35.999 34.433 1.566 25098 58 1 . 1 1 40 40 GLU H H 40 9.027 9.027 8.878 0.149 25098 59 1 . 1 1 41 41 ILE N N 41 124.884 124.884 122.723 2.161 25098 60 1 . 1 1 41 41 ILE HA H 41 4.686 4.686 4.510 0.176 25098 61 1 . 1 1 41 41 ILE CA C 41 59.126 59.126 60.338 -1.212 25098 62 1 . 1 1 41 41 ILE CB C 41 42.658 42.658 42.051 0.607 25098 63 1 . 1 1 41 41 ILE H H 41 8.503 8.503 8.260 0.243 25098 64 1 . 1 1 42 42 ARG N N 42 127.316 127.316 129.103 -1.787 25098 65 1 . 1 1 42 42 ARG HA H 42 5.136 5.136 4.578 0.558 25098 66 1 . 1 1 42 42 ARG CA C 42 54.461 54.461 55.903 -1.442 25098 67 1 . 1 1 42 42 ARG CB C 42 32.141 32.141 30.509 1.632 25098 68 1 . 1 1 42 42 ARG H H 42 7.942 7.942 8.636 -0.694 25098 69 1 . 1 1 43 43 VAL N N 43 126.060 126.060 127.883 -1.823 25098 70 1 . 1 1 43 43 VAL HA H 43 4.357 4.357 4.236 0.121 25098 71 1 . 1 1 43 43 VAL CA C 43 61.020 61.020 61.043 -0.023 25098 72 1 . 1 1 43 43 VAL CB C 43 34.375 34.375 32.418 1.957 25098 73 1 . 1 1 43 43 VAL H H 43 9.158 9.158 8.989 0.169 25098 74 1 . 1 1 44 44 GLU N N 44 127.592 127.592 129.176 -1.584 25098 75 1 . 1 1 44 44 GLU HA H 44 4.782 4.782 4.351 0.431 25098 76 1 . 1 1 44 44 GLU CA C 44 55.944 55.944 56.673 -0.729 25098 77 1 . 1 1 44 44 GLU CB C 44 31.779 31.779 30.121 1.658 25098 78 1 . 1 1 44 44 GLU H H 44 9.086 9.086 8.928 0.158 25098 79 1 . 1 1 45 45 VAL N N 45 126.323 126.323 128.453 -2.130 25098 80 1 . 1 1 45 45 VAL HA H 45 4.910 4.910 4.710 0.200 25098 81 1 . 1 1 45 45 VAL CA C 45 61.122 61.122 61.842 -0.720 25098 82 1 . 1 1 45 45 VAL CB C 45 31.501 31.501 31.973 -0.472 25098 83 1 . 1 1 45 45 VAL H H 45 8.617 8.617 9.008 -0.391 25098 84 1 . 1 1 46 46 MET N N 46 127.658 127.658 124.396 3.262 25098 85 1 . 1 1 46 46 MET HA H 46 4.755 4.755 4.817 -0.061 25098 86 1 . 1 1 46 46 MET CA C 46 55.999 55.999 54.369 1.630 25098 87 1 . 1 1 46 46 MET CB C 46 32.530 32.530 33.202 -0.672 25098 88 1 . 1 1 46 46 MET H H 46 8.319 8.319 7.936 0.383 25098 89 1 . 1 1 47 47 GLY N N 47 119.231 119.231 107.665 11.566 25098 90 1 . 1 1 47 47 GLY CA C 47 46.863 46.863 45.272 1.591 25098 91 1 . 1 1 47 47 GLY H H 47 10.065 10.065 8.594 1.471 25098 92 1 . 1 1 48 48 GLY N N 48 102.924 102.924 105.769 -2.845 25098 93 1 . 1 1 48 48 GLY CA C 48 43.176 43.176 44.480 -1.304 25098 94 1 . 1 1 48 48 GLY H H 48 6.639 6.639 7.612 -0.973 25098 95 1 . 1 1 49 49 TYR N N 49 120.115 120.115 119.018 1.097 25098 96 1 . 1 1 49 49 TYR HA H 49 5.267 5.267 5.111 0.156 25098 97 1 . 1 1 49 49 TYR CA C 49 56.991 56.991 57.225 -0.234 25098 98 1 . 1 1 49 49 TYR CB C 49 40.490 40.490 39.328 1.162 25098 99 1 . 1 1 49 49 TYR H H 49 8.364 8.364 8.360 0.004 25098 100 1 . 1 1 50 50 THR N N 50 117.545 117.545 118.927 -1.382 25098 101 1 . 1 1 50 50 THR HA H 50 4.742 4.742 4.378 0.364 25098 102 1 . 1 1 50 50 THR CA C 50 59.224 59.224 64.998 -5.774 25098 103 1 . 1 1 50 50 THR CB C 50 71.576 71.576 67.806 3.770 25098 104 1 . 1 1 50 50 THR H H 50 8.574 8.574 8.385 0.189 25098 105 1 . 1 1 51 51 PRO HA H 51 4.928 4.928 4.622 0.306 25098 106 1 . 1 1 51 51 PRO CA C 51 63.206 63.206 62.972 0.234 25098 107 1 . 1 1 51 51 PRO CB C 51 34.946 34.946 31.223 3.723 25098 108 1 . 1 1 52 52 GLU N N 52 114.661 114.661 121.789 -7.128 25098 109 1 . 1 1 52 52 GLU HA H 52 4.468 4.468 4.026 0.442 25098 110 1 . 1 1 52 52 GLU CA C 52 55.828 55.828 58.976 -3.148 25098 111 1 . 1 1 52 52 GLU CB C 52 30.239 30.239 29.882 0.357 25098 112 1 . 1 1 52 52 GLU H H 52 8.351 8.351 8.448 -0.097 25098 113 1 . 1 1 53 53 LEU N N 53 123.273 123.273 116.258 7.016 25098 114 1 . 1 1 53 53 LEU HA H 53 5.504 5.504 5.499 0.005 25098 115 1 . 1 1 53 53 LEU CA C 53 54.005 54.005 52.481 1.524 25098 116 1 . 1 1 53 53 LEU CB C 53 44.276 44.276 44.116 0.160 25098 117 1 . 1 1 53 53 LEU H H 53 7.476 7.476 7.446 0.030 25098 118 1 . 1 1 54 54 ILE N N 54 121.159 121.159 120.120 1.039 25098 119 1 . 1 1 54 54 ILE HA H 54 5.238 5.238 5.301 -0.063 25098 120 1 . 1 1 54 54 ILE CA C 54 59.006 59.006 59.195 -0.189 25098 121 1 . 1 1 54 54 ILE CB C 54 41.979 41.979 39.203 2.776 25098 122 1 . 1 1 54 54 ILE H H 54 8.732 8.732 9.240 -0.508 25098 123 1 . 1 1 55 55 VAL N N 55 123.295 123.295 126.622 -3.327 25098 124 1 . 1 1 55 55 VAL HA H 55 5.138 5.138 4.917 0.221 25098 125 1 . 1 1 55 55 VAL CA C 55 61.216 61.216 61.708 -0.492 25098 126 1 . 1 1 55 55 VAL CB C 55 33.376 33.376 32.227 1.149 25098 127 1 . 1 1 55 55 VAL H H 55 8.456 8.456 8.752 -0.296 25098 128 1 . 1 1 56 56 LEU N N 56 129.681 129.681 127.560 2.121 25098 129 1 . 1 1 56 56 LEU HA H 56 4.637 4.637 4.947 -0.309 25098 130 1 . 1 1 56 56 LEU CA C 56 53.044 53.044 53.318 -0.274 25098 131 1 . 1 1 56 56 LEU CB C 56 45.712 45.712 46.431 -0.719 25098 132 1 . 1 1 56 56 LEU H H 56 9.646 9.646 9.250 0.396 25098 133 1 . 1 1 57 57 LYS N N 57 121.874 121.874 119.658 2.216 25098 134 1 . 1 1 57 57 LYS HA H 57 4.815 4.815 4.606 0.209 25098 135 1 . 1 1 57 57 LYS CA C 57 55.095 55.095 55.320 -0.225 25098 136 1 . 1 1 57 57 LYS CB C 57 33.701 33.701 34.137 -0.435 25098 137 1 . 1 1 57 57 LYS H H 57 9.619 9.619 8.627 0.992 25098 138 1 . 1 1 58 58 LYS N N 58 124.865 124.865 121.185 3.680 25098 139 1 . 1 1 58 58 LYS HA H 58 3.714 3.714 4.564 -0.850 25098 140 1 . 1 1 58 58 LYS CA C 58 57.532 57.532 55.552 1.979 25098 141 1 . 1 1 58 58 LYS CB C 58 33.246 33.246 33.936 -0.690 25098 142 1 . 1 1 58 58 LYS H H 58 8.793 8.793 8.050 0.743 25098 143 1 . 1 1 59 59 SER N N 59 113.482 113.482 117.956 -4.474 25098 144 1 . 1 1 59 59 SER HA H 59 4.084 4.084 4.093 -0.009 25098 145 1 . 1 1 59 59 SER CA C 59 61.005 61.005 59.832 1.173 25098 146 1 . 1 1 59 59 SER CB C 59 60.917 60.917 62.657 -1.740 25098 147 1 . 1 1 59 59 SER H H 59 8.946 8.946 9.102 -0.156 25098 148 1 . 1 1 60 60 VAL N N 60 123.081 123.081 121.364 1.717 25098 149 1 . 1 1 60 60 VAL HA H 60 4.448 4.448 4.596 -0.148 25098 150 1 . 1 1 60 60 VAL CA C 60 59.101 59.101 58.444 0.657 25098 151 1 . 1 1 60 60 VAL CB C 60 33.818 33.818 34.928 -1.110 25098 152 1 . 1 1 60 60 VAL H H 60 6.974 6.974 7.535 -0.561 25098 153 1 . 1 1 61 61 PRO HA H 61 4.405 4.405 4.605 -0.200 25098 154 1 . 1 1 61 61 PRO CA C 61 64.752 64.752 62.989 1.763 25098 155 1 . 1 1 61 61 PRO CB C 61 32.273 32.273 31.164 1.109 25098 156 1 . 1 1 62 62 ALA N N 62 124.881 124.881 126.728 -1.847 25098 157 1 . 1 1 62 62 ALA HA H 62 5.452 5.452 5.287 0.166 25098 158 1 . 1 1 62 62 ALA CA C 62 49.746 49.746 50.259 -0.513 25098 159 1 . 1 1 62 62 ALA CB C 62 22.483 22.483 22.704 -0.221 25098 160 1 . 1 1 62 62 ALA H H 62 9.244 9.244 9.149 0.095 25098 161 1 . 1 1 63 63 ARG N N 63 122.869 122.869 122.357 0.512 25098 162 1 . 1 1 63 63 ARG HA H 63 4.498 4.498 5.448 -0.950 25098 163 1 . 1 1 63 63 ARG CA C 63 55.022 55.022 53.529 1.492 25098 164 1 . 1 1 63 63 ARG CB C 63 31.637 31.637 32.834 -1.197 25098 165 1 . 1 1 63 63 ARG H H 63 8.858 8.858 9.072 -0.214 25098 166 1 . 1 1 64 64 ILE N N 64 125.797 125.797 125.159 0.638 25098 167 1 . 1 1 64 64 ILE HA H 64 4.367 4.367 4.299 0.068 25098 168 1 . 1 1 64 64 ILE CA C 64 60.028 60.028 58.542 1.486 25098 169 1 . 1 1 64 64 ILE CB C 64 37.499 37.499 37.182 0.317 25098 170 1 . 1 1 64 64 ILE H H 64 9.033 9.033 8.858 0.175 25098 171 1 . 1 1 65 65 VAL N N 65 127.998 127.998 128.447 -0.449 25098 172 1 . 1 1 65 65 VAL HA H 65 4.122 4.122 4.186 -0.064 25098 173 1 . 1 1 65 65 VAL CA C 65 61.697 61.697 61.880 -0.183 25098 174 1 . 1 1 65 65 VAL CB C 65 32.480 32.480 31.010 1.470 25098 175 1 . 1 1 65 65 VAL H H 65 8.800 8.800 8.865 -0.065 25098 176 1 . 1 1 66 66 PHE N N 66 126.431 126.431 128.519 -2.088 25098 177 1 . 1 1 66 66 PHE HA H 66 5.190 5.190 5.161 0.029 25098 178 1 . 1 1 66 66 PHE CA C 66 58.012 58.012 56.979 1.033 25098 179 1 . 1 1 66 66 PHE CB C 66 41.731 41.731 40.036 1.695 25098 180 1 . 1 1 66 66 PHE H H 66 9.536 9.536 9.426 0.110 25098 181 1 . 1 1 67 67 ASP N N 67 123.469 123.469 125.376 -1.907 25098 182 1 . 1 1 67 67 ASP HA H 67 4.986 4.986 5.031 -0.045 25098 183 1 . 1 1 67 67 ASP CA C 67 52.158 52.158 53.382 -1.224 25098 184 1 . 1 1 67 67 ASP CB C 67 42.083 42.083 42.425 -0.342 25098 185 1 . 1 1 67 67 ASP H H 67 8.806 8.806 8.939 -0.133 25098 186 1 . 1 1 68 68 ARG N N 68 124.864 124.864 128.507 -3.643 25098 187 1 . 1 1 68 68 ARG HA H 68 4.760 4.760 4.375 0.386 25098 188 1 . 1 1 68 68 ARG CA C 68 58.018 58.018 56.581 1.437 25098 189 1 . 1 1 68 68 ARG CB C 68 30.605 30.605 29.884 0.721 25098 190 1 . 1 1 68 68 ARG H H 68 8.598 8.598 8.221 0.377 25098 191 1 . 1 1 69 69 LYS N N 69 126.910 126.910 126.590 0.320 25098 192 1 . 1 1 69 69 LYS HA H 69 4.662 4.662 4.381 0.281 25098 193 1 . 1 1 69 69 LYS CA C 69 55.222 55.222 56.850 -1.628 25098 194 1 . 1 1 69 69 LYS CB C 69 34.788 34.788 33.475 1.313 25098 195 1 . 1 1 69 69 LYS H H 69 8.348 8.348 8.797 -0.449 25098 196 1 . 1 1 70 70 ASP N N 70 119.420 119.420 119.536 -0.116 25098 197 1 . 1 1 70 70 ASP HA H 70 5.085 5.085 4.955 0.130 25098 198 1 . 1 1 70 70 ASP CA C 70 49.872 49.872 51.138 -1.266 25098 199 1 . 1 1 70 70 ASP CB C 70 45.194 45.194 42.733 2.461 25098 200 1 . 1 1 70 70 ASP H H 70 6.675 6.675 7.865 -1.190 25098 201 1 . 1 1 71 71 PRO HA H 71 4.589 4.589 4.526 0.063 25098 202 1 . 1 1 71 71 PRO CA C 71 63.781 63.781 62.530 1.251 25098 203 1 . 1 1 72 72 SER N N 72 121.578 121.578 117.971 3.607 25098 204 1 . 1 1 72 72 SER HA H 72 4.462 4.462 4.507 -0.045 25098 205 1 . 1 1 72 72 SER CA C 72 57.029 57.029 56.314 0.715 25098 206 1 . 1 1 72 72 SER CB C 72 63.781 63.781 63.621 0.160 25098 207 1 . 1 1 72 72 SER H H 72 8.624 8.624 7.651 0.973 25098 208 1 . 1 1 73 73 PRO HA H 73 4.348 4.348 4.363 -0.015 25098 209 1 . 1 1 73 73 PRO CA C 73 64.297 64.297 64.903 -0.606 25098 210 1 . 1 1 74 74 CYS N N 74 114.456 114.456 114.421 0.035 25098 211 1 . 1 1 74 74 CYS HA H 74 4.320 4.320 4.400 -0.080 25098 212 1 . 1 1 74 74 CYS CA C 74 60.192 60.192 59.119 1.073 25098 213 1 . 1 1 74 74 CYS CB C 74 27.035 27.035 26.530 0.505 25098 214 1 . 1 1 74 74 CYS H H 74 8.010 8.010 8.024 -0.014 25098 215 1 . 1 1 75 75 LEU N N 75 120.476 120.476 118.443 2.033 25098 216 1 . 1 1 75 75 LEU HA H 75 4.546 4.546 4.456 0.090 25098 217 1 . 1 1 75 75 LEU CA C 75 53.987 53.987 54.053 -0.066 25098 218 1 . 1 1 75 75 LEU CB C 75 41.083 41.083 42.278 -1.195 25098 219 1 . 1 1 75 75 LEU H H 75 7.629 7.629 7.417 0.212 25098 220 1 . 1 1 76 76 ASP N N 76 117.861 117.861 119.386 -1.525 25098 221 1 . 1 1 76 76 ASP HA H 76 4.466 4.466 4.414 0.052 25098 222 1 . 1 1 76 76 ASP CB C 76 41.608 41.608 42.151 -0.543 25098 223 1 . 1 1 76 76 ASP H H 76 7.465 7.465 7.460 0.004 25098 224 1 . 1 1 77 77 GLN HA H 77 5.368 5.368 4.747 0.621 25098 225 1 . 1 1 77 77 GLN CA C 77 53.830 53.830 54.666 -0.836 25098 226 1 . 1 1 77 77 GLN CB C 77 33.290 33.290 33.066 0.224 25098 227 1 . 1 1 78 78 ILE N N 78 123.134 123.134 121.518 1.616 25098 228 1 . 1 1 78 78 ILE HA H 78 4.893 4.893 4.435 0.458 25098 229 1 . 1 1 78 78 ILE CA C 78 56.862 56.862 60.138 -3.276 25098 230 1 . 1 1 78 78 ILE CB C 78 42.611 42.611 41.756 0.855 25098 231 1 . 1 1 78 78 ILE H H 78 9.043 9.043 9.019 0.024 25098 232 1 . 1 1 79 79 VAL N N 79 125.068 125.068 128.399 -3.331 25098 233 1 . 1 1 79 79 VAL HA H 79 4.911 4.911 5.406 -0.495 25098 234 1 . 1 1 79 79 VAL CB C 79 35.336 35.336 35.286 0.050 25098 235 1 . 1 1 79 79 VAL H H 79 8.911 8.911 8.143 0.768 25098 236 1 . 1 1 80 80 PHE N N 80 123.479 123.479 128.265 -4.786 25098 237 1 . 1 1 80 80 PHE HA H 80 5.574 5.574 5.270 0.304 25098 238 1 . 1 1 80 80 PHE CA C 80 53.684 53.684 55.754 -2.070 25098 239 1 . 1 1 80 80 PHE CB C 80 39.905 39.905 39.351 0.554 25098 240 1 . 1 1 80 80 PHE H H 80 8.628 8.628 9.602 -0.974 25098 241 1 . 1 1 81 81 PRO HA H 81 4.427 4.427 4.392 0.035 25098 242 1 . 1 1 81 81 PRO CA C 81 65.254 65.254 65.110 0.144 25098 243 1 . 1 1 81 81 PRO CB C 81 32.319 32.319 31.549 0.770 25098 244 1 . 1 1 82 82 ASP N N 82 114.119 114.119 116.987 -2.868 25098 245 1 . 1 1 82 82 ASP HA H 82 4.484 4.484 4.730 -0.246 25098 246 1 . 1 1 82 82 ASP CA C 82 55.569 55.569 55.397 0.172 25098 247 1 . 1 1 82 82 ASP CB C 82 41.625 41.625 41.781 -0.156 25098 248 1 . 1 1 82 82 ASP H H 82 8.692 8.692 8.596 0.096 25098 249 1 . 1 1 83 83 PHE N N 83 113.198 113.198 118.416 -5.218 25098 250 1 . 1 1 83 83 PHE HA H 83 4.618 4.618 4.687 -0.069 25098 251 1 . 1 1 83 83 PHE CA C 83 57.454 57.454 58.496 -1.042 25098 252 1 . 1 1 83 83 PHE CB C 83 41.445 41.445 41.118 0.327 25098 253 1 . 1 1 83 83 PHE H H 83 7.434 7.434 7.815 -0.381 25098 254 1 . 1 1 84 84 GLY N N 84 108.212 108.212 109.010 -0.798 25098 255 1 . 1 1 84 84 GLY CA C 84 46.552 46.552 45.603 0.949 25098 256 1 . 1 1 84 84 GLY H H 84 7.677 7.677 8.654 -0.977 25098 257 1 . 1 1 85 85 VAL N N 85 117.875 117.875 122.714 -4.839 25098 258 1 . 1 1 85 85 VAL HA H 85 4.270 4.270 4.216 0.054 25098 259 1 . 1 1 85 85 VAL CA C 85 61.664 61.664 61.831 -0.167 25098 260 1 . 1 1 85 85 VAL CB C 85 34.286 34.286 32.745 1.541 25098 261 1 . 1 1 85 85 VAL H H 85 7.075 7.075 7.552 -0.477 25098 262 1 . 1 1 86 86 HIS N N 86 129.355 129.355 125.562 3.793 25098 263 1 . 1 1 86 86 HIS HA H 86 5.204 5.204 5.618 -0.413 25098 264 1 . 1 1 86 86 HIS CA C 86 55.513 55.513 53.648 1.865 25098 265 1 . 1 1 86 86 HIS CB C 86 31.131 31.131 30.806 0.325 25098 266 1 . 1 1 86 86 HIS H H 86 8.921 8.921 8.456 0.465 25098 267 1 . 1 1 87 87 ALA N N 87 126.717 126.717 127.895 -1.178 25098 268 1 . 1 1 87 87 ALA HA H 87 4.749 4.749 4.687 0.062 25098 269 1 . 1 1 87 87 ALA CA C 87 50.886 50.886 50.399 0.487 25098 270 1 . 1 1 87 87 ALA CB C 87 22.088 22.088 22.720 -0.632 25098 271 1 . 1 1 87 87 ALA H H 87 8.799 8.799 9.173 -0.374 25098 272 1 . 1 1 88 88 ASN N N 88 119.348 119.348 118.002 1.346 25098 273 1 . 1 1 88 88 ASN HA H 88 5.125 5.125 4.876 0.249 25098 274 1 . 1 1 88 88 ASN CA C 88 51.796 51.796 52.161 -0.365 25098 275 1 . 1 1 88 88 ASN CB C 88 39.015 39.015 40.223 -1.208 25098 276 1 . 1 1 88 88 ASN H H 88 8.230 8.230 8.259 -0.029 25098 277 1 . 1 1 89 89 LEU N N 89 122.766 122.766 122.971 -0.205 25098 278 1 . 1 1 89 89 LEU HA H 89 4.440 4.440 4.757 -0.317 25098 279 1 . 1 1 89 89 LEU CA C 89 50.791 50.791 51.839 -1.048 25098 280 1 . 1 1 89 89 LEU CB C 89 42.662 42.662 42.715 -0.053 25098 281 1 . 1 1 89 89 LEU H H 89 8.356 8.356 8.707 -0.351 25098 282 1 . 1 1 90 90 PRO HA H 90 4.434 4.434 4.551 -0.117 25098 283 1 . 1 1 90 90 PRO CA C 90 61.669 61.669 62.166 -0.497 25098 284 1 . 1 1 91 91 MET N N 91 121.751 121.751 125.467 -3.716 25098 285 1 . 1 1 91 91 MET HA H 91 4.144 4.144 4.125 0.019 25098 286 1 . 1 1 91 91 MET CA C 91 55.460 55.460 55.313 0.147 25098 287 1 . 1 1 91 91 MET CB C 91 30.951 30.951 32.266 -1.315 25098 288 1 . 1 1 91 91 MET H H 91 8.709 8.709 8.552 0.157 25098 289 1 . 1 1 92 92 GLY N N 92 112.856 112.856 114.008 -1.152 25098 290 1 . 1 1 92 92 GLY CA C 92 46.265 46.265 45.020 1.245 25098 291 1 . 1 1 92 92 GLY H H 92 8.325 8.325 8.675 -0.350 25098 292 1 . 1 1 93 93 GLU N N 93 116.930 116.930 118.900 -1.970 25098 293 1 . 1 1 93 93 GLU HA H 93 4.747 4.747 4.698 0.049 25098 294 1 . 1 1 93 93 GLU CA C 93 54.151 54.151 54.521 -0.370 25098 295 1 . 1 1 93 93 GLU CB C 93 33.784 33.784 33.204 0.580 25098 296 1 . 1 1 93 93 GLU H H 93 7.331 7.331 7.887 -0.556 25098 297 1 . 1 1 94 94 GLU N N 94 119.837 119.837 119.259 0.578 25098 298 1 . 1 1 94 94 GLU HA H 94 5.103 5.103 5.256 -0.153 25098 299 1 . 1 1 94 94 GLU CA C 94 55.340 55.340 55.245 0.095 25098 300 1 . 1 1 94 94 GLU CB C 94 31.196 31.196 31.590 -0.394 25098 301 1 . 1 1 94 94 GLU H H 94 8.418 8.418 8.643 -0.225 25098 302 1 . 1 1 95 95 TYR N N 95 124.949 124.949 125.849 -0.900 25098 303 1 . 1 1 95 95 TYR HA H 95 4.637 4.637 4.785 -0.148 25098 304 1 . 1 1 95 95 TYR CA C 95 58.125 58.125 57.300 0.825 25098 305 1 . 1 1 95 95 TYR CB C 95 43.144 43.144 41.366 1.778 25098 306 1 . 1 1 95 95 TYR H H 95 9.059 9.059 9.224 -0.166 25098 307 1 . 1 1 96 96 VAL N N 96 128.075 128.075 126.887 1.188 25098 308 1 . 1 1 96 96 VAL HA H 96 4.440 4.440 4.912 -0.472 25098 309 1 . 1 1 96 96 VAL CA C 96 61.772 61.772 60.148 1.624 25098 310 1 . 1 1 96 96 VAL CB C 96 32.805 32.805 34.000 -1.195 25098 311 1 . 1 1 96 96 VAL H H 96 7.795 7.795 8.312 -0.517 25098 312 1 . 1 1 97 97 VAL N N 97 129.541 129.541 129.492 0.049 25098 313 1 . 1 1 97 97 VAL HA H 97 3.917 3.917 4.257 -0.340 25098 314 1 . 1 1 97 97 VAL CA C 97 61.821 61.821 61.116 0.705 25098 315 1 . 1 1 97 97 VAL CB C 97 33.313 33.313 33.114 0.199 25098 316 1 . 1 1 97 97 VAL H H 97 9.110 9.110 8.914 0.196 25098 317 1 . 1 1 98 98 GLU N N 98 127.575 127.575 129.048 -1.473 25098 318 1 . 1 1 98 98 GLU HA H 98 5.237 5.237 4.766 0.471 25098 319 1 . 1 1 98 98 GLU CA C 98 54.576 54.576 56.224 -1.648 25098 320 1 . 1 1 98 98 GLU CB C 98 30.995 30.995 30.314 0.681 25098 321 1 . 1 1 98 98 GLU H H 98 8.166 8.166 8.700 -0.534 25098 322 1 . 1 1 99 99 ILE N N 99 118.374 118.374 121.911 -3.536 25098 323 1 . 1 1 99 99 ILE HA H 99 4.386 4.386 4.573 -0.187 25098 324 1 . 1 1 99 99 ILE CA C 99 59.143 59.143 58.923 0.221 25098 325 1 . 1 1 99 99 ILE CB C 99 43.580 43.580 41.919 1.661 25098 326 1 . 1 1 99 99 ILE H H 99 7.881 7.881 8.905 -1.024 25098 327 1 . 1 1 100 100 THR N N 100 119.619 119.619 117.573 2.046 25098 328 1 . 1 1 100 100 THR HA H 100 4.717 4.717 4.874 -0.157 25098 329 1 . 1 1 100 100 THR CA C 100 58.983 58.983 59.116 -0.133 25098 330 1 . 1 1 100 100 THR CB C 100 69.121 69.121 69.076 0.044 25098 331 1 . 1 1 100 100 THR H H 100 8.885 8.885 8.386 0.499 25098 332 1 . 1 1 101 101 PRO HA H 101 4.620 4.620 4.730 -0.110 25098 333 1 . 1 1 101 101 PRO CA C 101 62.096 62.096 62.961 -0.865 25098 334 1 . 1 1 101 101 PRO CB C 101 32.296 32.296 31.967 0.329 25098 335 1 . 1 1 102 102 GLU N N 102 124.589 124.589 124.100 0.489 25098 336 1 . 1 1 102 102 GLU HA H 102 4.379 4.379 4.375 0.004 25098 337 1 . 1 1 102 102 GLU CA C 102 56.649 56.649 57.099 -0.450 25098 338 1 . 1 1 102 102 GLU CB C 102 30.740 30.740 30.374 0.366 25098 339 1 . 1 1 102 102 GLU H H 102 8.574 8.574 8.403 0.171 25098 340 1 . 1 1 103 103 GLN N N 103 118.304 118.304 117.361 0.943 25098 341 1 . 1 1 103 103 GLN HA H 103 4.662 4.662 4.558 0.104 25098 342 1 . 1 1 103 103 GLN CA C 103 53.956 53.956 54.905 -0.949 25098 343 1 . 1 1 103 103 GLN CB C 103 31.762 31.762 32.099 -0.337 25098 344 1 . 1 1 103 103 GLN H H 103 8.518 8.518 7.680 0.838 25098 345 1 . 1 1 104 104 ALA N N 104 124.603 124.603 126.263 -1.660 25098 346 1 . 1 1 104 104 ALA HA H 104 4.195 4.195 4.552 -0.356 25098 347 1 . 1 1 104 104 ALA CA C 104 51.886 51.886 52.025 -0.139 25098 348 1 . 1 1 104 104 ALA CB C 104 19.377 19.377 19.288 0.090 25098 349 1 . 1 1 104 104 ALA H H 104 8.575 8.575 8.479 0.096 25098 350 1 . 1 1 105 105 GLY N N 105 108.486 108.486 111.690 -3.204 25098 351 1 . 1 1 105 105 GLY CA C 105 44.726 44.726 45.283 -0.557 25098 352 1 . 1 1 105 105 GLY H H 105 8.710 8.710 7.990 0.720 25098 353 1 . 1 1 106 106 GLU N N 106 118.462 118.462 120.565 -2.103 25098 354 1 . 1 1 106 106 GLU HA H 106 5.098 5.098 5.109 -0.011 25098 355 1 . 1 1 106 106 GLU CA C 106 54.382 54.382 55.804 -1.422 25098 356 1 . 1 1 106 106 GLU CB C 106 31.878 31.878 31.141 0.737 25098 357 1 . 1 1 106 106 GLU H H 106 7.620 7.620 8.250 -0.630 25098 358 1 . 1 1 107 107 PHE N N 107 123.388 123.388 124.977 -1.589 25098 359 1 . 1 1 107 107 PHE HA H 107 4.999 4.999 5.106 -0.107 25098 360 1 . 1 1 107 107 PHE CA C 107 56.623 56.623 56.577 0.046 25098 361 1 . 1 1 107 107 PHE CB C 107 43.035 43.035 43.100 -0.065 25098 362 1 . 1 1 107 107 PHE H H 107 9.381 9.381 9.461 -0.080 25098 363 1 . 1 1 108 108 SER N N 108 117.621 117.621 114.663 2.958 25098 364 1 . 1 1 108 108 SER HA H 108 5.137 5.137 5.193 -0.056 25098 365 1 . 1 1 108 108 SER CA C 108 58.465 58.465 57.521 0.944 25098 366 1 . 1 1 108 108 SER CB C 108 65.864 65.864 66.409 -0.545 25098 367 1 . 1 1 108 108 SER H H 108 8.846 8.846 9.237 -0.391 25098 368 1 . 1 1 109 109 PHE N N 109 116.119 116.119 115.319 0.800 25098 369 1 . 1 1 109 109 PHE HA H 109 5.154 5.154 4.824 0.331 25098 370 1 . 1 1 109 109 PHE CA C 109 55.800 55.800 56.278 -0.478 25098 371 1 . 1 1 109 109 PHE CB C 109 39.858 39.858 41.004 -1.146 25098 372 1 . 1 1 109 109 PHE H H 109 7.646 7.646 8.322 -0.676 25098 373 1 . 1 1 110 110 ALA N N 110 121.615 121.615 123.005 -1.390 25098 374 1 . 1 1 110 110 ALA HA H 110 5.258 5.258 4.920 0.338 25098 375 1 . 1 1 110 110 ALA CA C 110 50.940 50.940 51.790 -0.850 25098 376 1 . 1 1 110 110 ALA CB C 110 24.724 24.724 22.432 2.292 25098 377 1 . 1 1 110 110 ALA H H 110 8.826 8.826 8.092 0.734 25098 378 1 . 1 1 111 111 CYS N N 111 114.162 114.162 118.791 -4.629 25098 379 1 . 1 1 111 111 CYS HA H 111 5.372 5.372 4.795 0.577 25098 380 1 . 1 1 111 111 CYS CA C 111 55.651 55.651 58.149 -2.498 25098 381 1 . 1 1 111 111 CYS CB C 111 33.551 33.551 29.580 3.971 25098 382 1 . 1 1 111 111 CYS H H 111 7.820 7.820 8.844 -1.024 25098 383 1 . 1 1 112 112 GLY N N 112 108.348 108.348 114.920 -6.572 25098 384 1 . 1 1 112 112 GLY H H 112 8.277 8.277 8.562 -0.285 25098 385 1 . 1 1 117 117 HIS N N 117 117.324 117.324 119.094 -1.770 25098 386 1 . 1 1 117 117 HIS HA H 117 4.540 4.540 4.884 -0.344 25098 387 1 . 1 1 117 117 HIS CA C 117 56.897 56.897 55.525 1.372 25098 388 1 . 1 1 117 117 HIS CB C 117 29.675 29.675 32.171 -2.496 25098 389 1 . 1 1 117 117 HIS H H 117 8.670 8.670 8.294 0.376 25098 390 1 . 1 1 118 118 GLY N N 118 109.716 109.716 108.941 0.775 25098 391 1 . 1 1 118 118 GLY CA C 118 43.143 43.143 43.906 -0.763 25098 392 1 . 1 1 118 118 GLY H H 118 8.350 8.350 8.229 0.121 25098 393 1 . 1 1 119 119 LYS N N 119 120.631 120.631 123.828 -3.197 25098 394 1 . 1 1 119 119 LYS HA H 119 4.949 4.949 5.031 -0.082 25098 395 1 . 1 1 119 119 LYS CA C 119 55.192 55.192 54.477 0.715 25098 396 1 . 1 1 119 119 LYS CB C 119 36.931 36.931 37.078 -0.147 25098 397 1 . 1 1 119 119 LYS H H 119 8.561 8.561 8.912 -0.351 25098 398 1 . 1 1 120 120 MET N N 120 123.525 123.525 123.607 -0.082 25098 399 1 . 1 1 120 120 MET HA H 120 5.565 5.565 5.370 0.195 25098 400 1 . 1 1 120 120 MET CA C 120 53.142 53.142 54.659 -1.518 25098 401 1 . 1 1 120 120 MET CB C 120 37.448 37.448 37.530 -0.082 25098 402 1 . 1 1 120 120 MET H H 120 9.329 9.329 9.246 0.083 25098 403 1 . 1 1 121 121 ILE N N 121 127.707 127.707 126.705 1.002 25098 404 1 . 1 1 121 121 ILE HA H 121 4.890 4.890 4.956 -0.066 25098 405 1 . 1 1 121 121 ILE CA C 121 60.048 60.048 60.344 -0.296 25098 406 1 . 1 1 121 121 ILE CB C 121 39.806 39.806 40.186 -0.380 25098 407 1 . 1 1 121 121 ILE H H 121 9.471 9.471 9.315 0.156 25098 408 1 . 1 1 122 122 VAL N N 122 127.738 127.738 128.163 -0.425 25098 409 1 . 1 1 122 122 VAL HA H 122 4.994 4.994 4.861 0.133 25098 410 1 . 1 1 122 122 VAL CA C 122 60.618 60.618 61.211 -0.593 25098 411 1 . 1 1 122 122 VAL CB C 122 33.297 33.297 32.287 1.010 25098 412 1 . 1 1 122 122 VAL H H 122 9.350 9.350 8.875 0.475 25098 stop_ save_