data_19764 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19764 _Entry.PDB_ID 2MK9 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 19764 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ASP N N 2 118.854 118.854 121.292 -2.438 19764 2 1 1 . 1 1 2 2 ASP HA H 2 4.701 4.701 4.843 -0.142 19764 3 1 1 . 1 1 2 2 ASP C C 2 175.219 175.219 176.257 -1.038 19764 4 1 1 . 1 1 2 2 ASP CA C 2 53.518 53.518 54.701 -1.183 19764 5 1 1 . 1 1 2 2 ASP CB C 2 39.533 39.533 41.179 -1.646 19764 6 1 1 . 1 1 2 2 ASP H H 2 8.445 8.445 8.655 -0.210 19764 7 1 1 . 1 1 3 3 SER N N 3 114.607 114.607 115.716 -1.109 19764 8 1 1 . 1 1 3 3 SER HA H 3 4.513 4.513 4.764 -0.251 19764 9 1 1 . 1 1 3 3 SER C C 3 174.542 174.542 174.409 0.133 19764 10 1 1 . 1 1 3 3 SER CA C 3 58.447 58.447 57.710 0.737 19764 11 1 1 . 1 1 3 3 SER CB C 3 63.931 63.931 63.442 0.489 19764 12 1 1 . 1 1 3 3 SER H H 3 7.993 7.993 8.106 -0.113 19764 13 1 1 . 1 1 4 4 ALA N N 4 125.695 125.695 127.277 -1.582 19764 14 1 1 . 1 1 4 4 ALA HA H 4 4.475 4.475 4.371 0.104 19764 15 1 1 . 1 1 4 4 ALA CA C 4 54.340 54.340 55.592 -1.252 19764 16 1 1 . 1 1 4 4 ALA CB C 4 16.965 16.965 16.726 0.239 19764 17 1 1 . 1 1 4 4 ALA H H 4 8.476 8.476 8.748 -0.272 19764 18 1 1 . 1 1 5 5 PRO HA H 5 4.273 4.273 4.423 -0.150 19764 19 1 1 . 1 1 5 5 PRO C C 5 177.273 177.273 178.536 -1.263 19764 20 1 1 . 1 1 5 5 PRO CA C 5 65.399 65.399 65.052 0.348 19764 21 1 1 . 1 1 5 5 PRO CB C 5 30.875 30.875 31.680 -0.805 19764 22 1 1 . 1 1 6 6 PHE N N 6 116.345 116.345 118.714 -2.369 19764 23 1 1 . 1 1 6 6 PHE HA H 6 4.255 4.255 4.358 -0.103 19764 24 1 1 . 1 1 6 6 PHE C C 6 177.011 177.011 178.299 -1.288 19764 25 1 1 . 1 1 6 6 PHE CA C 6 61.203 61.203 60.891 0.312 19764 26 1 1 . 1 1 6 6 PHE CB C 6 38.703 38.703 39.274 -0.571 19764 27 1 1 . 1 1 6 6 PHE H H 6 7.769 7.769 8.123 -0.354 19764 28 1 1 . 1 1 7 7 GLU N N 7 118.531 118.531 120.743 -2.212 19764 29 1 1 . 1 1 7 7 GLU HA H 7 3.972 3.972 4.127 -0.155 19764 30 1 1 . 1 1 7 7 GLU C C 7 177.743 177.743 179.309 -1.566 19764 31 1 1 . 1 1 7 7 GLU CA C 7 59.818 59.818 59.559 0.260 19764 32 1 1 . 1 1 7 7 GLU CB C 7 28.080 28.080 29.600 -1.520 19764 33 1 1 . 1 1 7 7 GLU H H 7 8.334 8.334 7.958 0.376 19764 34 1 1 . 1 1 8 8 LEU N N 8 119.001 119.001 119.724 -0.723 19764 35 1 1 . 1 1 8 8 LEU HA H 8 4.112 4.112 4.109 0.003 19764 36 1 1 . 1 1 8 8 LEU C C 8 177.995 177.995 178.791 -0.796 19764 37 1 1 . 1 1 8 8 LEU CA C 8 58.093 58.093 57.776 0.317 19764 38 1 1 . 1 1 8 8 LEU CB C 8 41.424 41.424 40.893 0.531 19764 39 1 1 . 1 1 8 8 LEU H H 8 8.254 8.254 7.697 0.557 19764 40 1 1 . 1 1 9 9 PHE N N 9 118.536 118.536 119.925 -1.389 19764 41 1 1 . 1 1 9 9 PHE HA H 9 4.071 4.071 4.064 0.007 19764 42 1 1 . 1 1 9 9 PHE C C 9 177.219 177.219 177.659 -0.440 19764 43 1 1 . 1 1 9 9 PHE CA C 9 61.496 61.496 61.540 -0.044 19764 44 1 1 . 1 1 9 9 PHE CB C 9 38.768 38.768 38.721 0.047 19764 45 1 1 . 1 1 9 9 PHE H H 9 8.148 8.148 7.854 0.294 19764 46 1 1 . 1 1 10 10 PHE N N 10 119.124 119.124 119.018 0.106 19764 47 1 1 . 1 1 10 10 PHE HA H 10 4.067 4.067 4.201 -0.134 19764 48 1 1 . 1 1 10 10 PHE CA C 10 61.545 61.545 60.838 0.707 19764 49 1 1 . 1 1 10 10 PHE CB C 10 38.850 38.850 39.468 -0.618 19764 50 1 1 . 1 1 10 10 PHE H H 10 8.572 8.572 8.307 0.265 19764 51 1 1 . 1 1 11 11 MET N N 11 120.911 120.911 117.621 3.290 19764 52 1 1 . 1 1 11 11 MET HA H 11 4.019 4.019 4.115 -0.096 19764 53 1 1 . 1 1 11 11 MET C C 11 178.246 178.246 177.189 1.057 19764 54 1 1 . 1 1 11 11 MET CA C 11 59.255 59.255 57.997 1.258 19764 55 1 1 . 1 1 11 11 MET CB C 11 32.680 32.680 32.068 0.612 19764 56 1 1 . 1 1 11 11 MET H H 11 8.555 8.555 7.399 1.156 19764 57 1 1 . 1 1 12 12 ILE N N 12 120.842 120.842 117.744 3.098 19764 58 1 1 . 1 1 12 12 ILE HA H 12 3.560 3.560 3.627 -0.067 19764 59 1 1 . 1 1 12 12 ILE C C 12 176.760 176.760 177.508 -0.748 19764 60 1 1 . 1 1 12 12 ILE CA C 12 65.194 65.194 64.995 0.199 19764 61 1 1 . 1 1 12 12 ILE CB C 12 37.587 37.587 38.084 -0.497 19764 62 1 1 . 1 1 12 12 ILE H H 12 8.536 8.536 8.122 0.414 19764 63 1 1 . 1 1 13 13 ASN N N 13 117.647 117.647 118.272 -0.625 19764 64 1 1 . 1 1 13 13 ASN HA H 13 4.144 4.144 4.198 -0.054 19764 65 1 1 . 1 1 13 13 ASN C C 13 176.858 176.858 177.759 -0.901 19764 66 1 1 . 1 1 13 13 ASN CA C 13 57.064 57.064 56.737 0.327 19764 67 1 1 . 1 1 13 13 ASN CB C 13 38.939 38.939 38.097 0.842 19764 68 1 1 . 1 1 13 13 ASN H H 13 8.097 8.097 7.605 0.492 19764 69 1 1 . 1 1 14 14 THR N N 14 114.513 114.513 116.345 -1.832 19764 70 1 1 . 1 1 14 14 THR HA H 14 3.651 3.651 3.724 -0.073 19764 71 1 1 . 1 1 14 14 THR C C 14 175.252 175.252 176.530 -1.278 19764 72 1 1 . 1 1 14 14 THR CA C 14 67.551 67.551 65.807 1.744 19764 73 1 1 . 1 1 14 14 THR CB C 14 67.810 67.810 68.006 -0.196 19764 74 1 1 . 1 1 14 14 THR H H 14 8.018 8.018 7.519 0.499 19764 75 1 1 . 1 1 15 15 SER N N 15 117.295 117.295 117.573 -0.278 19764 76 1 1 . 1 1 15 15 SER HA H 15 3.986 3.986 4.182 -0.196 19764 77 1 1 . 1 1 15 15 SER C C 15 174.782 174.782 176.039 -1.257 19764 78 1 1 . 1 1 15 15 SER CA C 15 63.103 63.103 61.873 1.230 19764 79 1 1 . 1 1 15 15 SER CB C 15 62.684 62.684 62.870 -0.187 19764 80 1 1 . 1 1 15 15 SER H H 15 7.733 7.733 7.226 0.507 19764 81 1 1 . 1 1 16 16 ILE N N 16 120.420 120.420 122.010 -1.590 19764 82 1 1 . 1 1 16 16 ILE HA H 16 3.508 3.508 3.632 -0.124 19764 83 1 1 . 1 1 16 16 ILE C C 16 176.694 176.694 177.945 -1.251 19764 84 1 1 . 1 1 16 16 ILE CA C 16 64.887 64.887 65.122 -0.235 19764 85 1 1 . 1 1 16 16 ILE CB C 16 37.036 37.036 37.699 -0.663 19764 86 1 1 . 1 1 16 16 ILE H H 16 7.747 7.747 7.867 -0.120 19764 87 1 1 . 1 1 17 17 LEU N N 17 119.529 119.529 120.169 -0.640 19764 88 1 1 . 1 1 17 17 LEU HA H 17 4.007 4.007 4.026 -0.019 19764 89 1 1 . 1 1 17 17 LEU C C 17 178.060 178.060 178.448 -0.388 19764 90 1 1 . 1 1 17 17 LEU CA C 17 58.262 58.262 57.835 0.427 19764 91 1 1 . 1 1 17 17 LEU CB C 17 41.525 41.525 42.188 -0.662 19764 92 1 1 . 1 1 17 17 LEU H H 17 7.677 7.677 7.773 -0.096 19764 93 1 1 . 1 1 18 18 LEU N N 18 117.308 117.308 120.043 -2.735 19764 94 1 1 . 1 1 18 18 LEU HA H 18 3.929 3.929 3.286 0.643 19764 95 1 1 . 1 1 18 18 LEU C C 18 178.016 178.016 178.876 -0.860 19764 96 1 1 . 1 1 18 18 LEU CA C 18 58.168 58.168 57.911 0.257 19764 97 1 1 . 1 1 18 18 LEU CB C 18 41.416 41.416 41.470 -0.054 19764 98 1 1 . 1 1 18 18 LEU H H 18 8.087 8.087 8.079 0.008 19764 99 1 1 . 1 1 19 19 ILE N N 19 118.636 118.636 119.371 -0.735 19764 100 1 1 . 1 1 19 19 ILE HA H 19 3.626 3.626 3.637 -0.011 19764 101 1 1 . 1 1 19 19 ILE C C 19 177.131 177.131 177.402 -0.271 19764 102 1 1 . 1 1 19 19 ILE CA C 19 65.504 65.504 65.948 -0.444 19764 103 1 1 . 1 1 19 19 ILE CB C 19 37.242 37.242 37.944 -0.702 19764 104 1 1 . 1 1 19 19 ILE H H 19 8.108 8.108 8.651 -0.543 19764 105 1 1 . 1 1 20 20 PHE N N 20 119.349 119.349 119.441 -0.092 19764 106 1 1 . 1 1 20 20 PHE HA H 20 4.204 4.204 4.180 0.024 19764 107 1 1 . 1 1 20 20 PHE C C 20 176.771 176.771 177.685 -0.914 19764 108 1 1 . 1 1 20 20 PHE CA C 20 61.540 61.540 60.866 0.674 19764 109 1 1 . 1 1 20 20 PHE CB C 20 38.503 38.503 39.015 -0.512 19764 110 1 1 . 1 1 20 20 PHE H H 20 8.448 8.448 7.471 0.977 19764 111 1 1 . 1 1 21 21 ILE N N 21 118.342 118.342 120.521 -2.179 19764 112 1 1 . 1 1 21 21 ILE HA H 21 3.428 3.428 3.408 0.020 19764 113 1 1 . 1 1 21 21 ILE C C 21 176.989 176.989 177.639 -0.650 19764 114 1 1 . 1 1 21 21 ILE CA C 21 65.547 65.547 65.715 -0.168 19764 115 1 1 . 1 1 21 21 ILE CB C 21 37.354 37.354 37.714 -0.360 19764 116 1 1 . 1 1 21 21 ILE H H 21 8.485 8.485 8.347 0.138 19764 117 1 1 . 1 1 22 22 PHE N N 22 119.166 119.166 118.964 0.202 19764 118 1 1 . 1 1 22 22 PHE HA H 22 4.207 4.207 4.230 -0.023 19764 119 1 1 . 1 1 22 22 PHE C C 22 176.880 176.880 177.983 -1.103 19764 120 1 1 . 1 1 22 22 PHE CA C 22 61.174 61.174 60.912 0.262 19764 121 1 1 . 1 1 22 22 PHE CB C 22 38.432 38.432 37.847 0.585 19764 122 1 1 . 1 1 22 22 PHE H H 22 8.576 8.576 7.953 0.623 19764 123 1 1 . 1 1 23 23 ILE N N 23 118.582 118.582 119.232 -0.650 19764 124 1 1 . 1 1 23 23 ILE HA H 23 3.552 3.552 3.669 -0.117 19764 125 1 1 . 1 1 23 23 ILE C C 23 177.284 177.284 177.832 -0.548 19764 126 1 1 . 1 1 23 23 ILE CA C 23 65.453 65.453 66.171 -0.718 19764 127 1 1 . 1 1 23 23 ILE CB C 23 37.112 37.112 37.745 -0.633 19764 128 1 1 . 1 1 23 23 ILE H H 23 8.508 8.508 8.509 -0.001 19764 129 1 1 . 1 1 24 24 VAL N N 24 119.194 119.194 118.207 0.987 19764 130 1 1 . 1 1 24 24 VAL HA H 24 3.446 3.446 3.433 0.013 19764 131 1 1 . 1 1 24 24 VAL C C 24 178.060 178.060 177.870 0.190 19764 132 1 1 . 1 1 24 24 VAL CA C 24 67.298 67.298 66.284 1.014 19764 133 1 1 . 1 1 24 24 VAL CB C 24 30.785 30.785 30.968 -0.183 19764 134 1 1 . 1 1 24 24 VAL H H 24 8.212 8.212 7.226 0.986 19764 135 1 1 . 1 1 25 25 LEU N N 25 119.253 119.253 120.843 -1.590 19764 136 1 1 . 1 1 25 25 LEU HA H 25 3.956 3.956 3.966 -0.010 19764 137 1 1 . 1 1 25 25 LEU C C 25 178.574 178.574 179.803 -1.229 19764 138 1 1 . 1 1 25 25 LEU CA C 25 58.254 58.254 57.851 0.403 19764 139 1 1 . 1 1 25 25 LEU CB C 25 41.536 41.536 41.744 -0.208 19764 140 1 1 . 1 1 25 25 LEU H H 25 8.442 8.442 7.859 0.583 19764 141 1 1 . 1 1 26 26 LEU N N 26 121.151 121.151 119.732 1.419 19764 142 1 1 . 1 1 26 26 LEU HA H 26 3.915 3.915 4.017 -0.102 19764 143 1 1 . 1 1 26 26 LEU C C 26 178.770 178.770 179.463 -0.693 19764 144 1 1 . 1 1 26 26 LEU CA C 26 58.658 58.658 58.302 0.356 19764 145 1 1 . 1 1 26 26 LEU CB C 26 41.590 41.590 40.823 0.767 19764 146 1 1 . 1 1 26 26 LEU H H 26 8.639 8.639 8.193 0.446 19764 147 1 1 . 1 1 27 27 ILE N N 27 118.583 118.583 118.596 -0.013 19764 148 1 1 . 1 1 27 27 ILE HA H 27 3.551 3.551 3.585 -0.034 19764 149 1 1 . 1 1 27 27 ILE C C 27 178.333 178.333 177.718 0.615 19764 150 1 1 . 1 1 27 27 ILE CA C 27 65.199 65.199 65.646 -0.447 19764 151 1 1 . 1 1 27 27 ILE CB C 27 37.564 37.564 37.507 0.057 19764 152 1 1 . 1 1 27 27 ILE H H 27 8.475 8.475 7.374 1.101 19764 153 1 1 . 1 1 28 28 HIS N N 28 117.341 117.341 118.690 -1.349 19764 154 1 1 . 1 1 28 28 HIS HA H 28 4.353 4.353 4.191 0.162 19764 155 1 1 . 1 1 28 28 HIS C C 28 176.498 176.498 177.826 -1.328 19764 156 1 1 . 1 1 28 28 HIS CA C 28 59.110 59.110 59.561 -0.451 19764 157 1 1 . 1 1 28 28 HIS CB C 28 28.024 28.024 29.924 -1.900 19764 158 1 1 . 1 1 28 28 HIS H H 28 8.415 8.415 7.779 0.636 19764 159 1 1 . 1 1 29 29 PHE N N 29 115.694 115.694 116.580 -0.886 19764 160 1 1 . 1 1 29 29 PHE HA H 29 4.337 4.337 4.379 -0.042 19764 161 1 1 . 1 1 29 29 PHE C C 29 176.924 176.924 176.701 0.223 19764 162 1 1 . 1 1 29 29 PHE CA C 29 60.735 60.735 58.793 1.942 19764 163 1 1 . 1 1 29 29 PHE CB C 29 39.449 39.449 39.278 0.171 19764 164 1 1 . 1 1 29 29 PHE H H 29 8.727 8.727 7.822 0.905 19764 165 1 1 . 1 1 30 30 GLU N N 30 115.099 115.099 119.404 -4.305 19764 166 1 1 . 1 1 30 30 GLU HA H 30 4.336 4.336 4.266 0.070 19764 167 1 1 . 1 1 30 30 GLU C C 30 176.563 176.563 177.787 -1.224 19764 168 1 1 . 1 1 30 30 GLU CA C 30 55.482 55.482 57.238 -1.756 19764 169 1 1 . 1 1 30 30 GLU CB C 30 28.002 28.002 29.918 -1.916 19764 170 1 1 . 1 1 30 30 GLU H H 30 8.319 8.319 8.338 -0.019 19764 171 1 1 . 1 1 31 31 GLY N N 31 107.479 107.479 107.950 -0.471 19764 172 1 1 . 1 1 31 31 GLY C C 31 173.766 173.766 173.806 -0.040 19764 173 1 1 . 1 1 31 31 GLY CA C 31 45.982 45.982 44.569 1.413 19764 174 1 1 . 1 1 31 31 GLY H H 31 7.850 7.850 7.797 0.053 19764 175 1 1 . 1 1 32 32 TRP N N 32 118.981 118.981 120.198 -1.217 19764 176 1 1 . 1 1 32 32 TRP HA H 32 4.645 4.645 4.813 -0.168 19764 177 1 1 . 1 1 32 32 TRP C C 32 175.350 175.350 175.474 -0.124 19764 178 1 1 . 1 1 32 32 TRP CA C 32 56.455 56.455 57.046 -0.591 19764 179 1 1 . 1 1 32 32 TRP CB C 32 29.033 29.033 31.185 -2.152 19764 180 1 1 . 1 1 32 32 TRP H H 32 7.530 7.530 7.783 -0.253 19764 181 1 1 . 1 1 33 33 ARG N N 33 121.186 121.186 117.607 3.579 19764 182 1 1 . 1 1 33 33 ARG HA H 33 4.273 4.273 4.577 -0.304 19764 183 1 1 . 1 1 33 33 ARG C C 33 174.990 174.990 175.216 -0.226 19764 184 1 1 . 1 1 33 33 ARG CA C 33 55.581 55.581 55.338 0.243 19764 185 1 1 . 1 1 33 33 ARG CB C 33 30.661 30.661 28.878 1.783 19764 186 1 1 . 1 1 33 33 ARG H H 33 7.926 7.926 8.102 -0.176 19764 187 1 2 . 1 1 2 2 ASP N N 2 118.854 118.854 122.723 -3.869 19764 188 1 2 . 1 1 2 2 ASP HA H 2 4.701 4.701 4.985 -0.284 19764 189 1 2 . 1 1 2 2 ASP C C 2 175.219 175.219 175.830 -0.611 19764 190 1 2 . 1 1 2 2 ASP CA C 2 53.518 53.518 54.656 -1.138 19764 191 1 2 . 1 1 2 2 ASP CB C 2 39.533 39.533 43.100 -3.567 19764 192 1 2 . 1 1 2 2 ASP H H 2 8.445 8.445 8.561 -0.116 19764 193 1 2 . 1 1 3 3 SER N N 3 114.607 114.607 117.910 -3.303 19764 194 1 2 . 1 1 3 3 SER HA H 3 4.513 4.513 4.814 -0.301 19764 195 1 2 . 1 1 3 3 SER C C 3 174.542 174.542 175.407 -0.865 19764 196 1 2 . 1 1 3 3 SER CA C 3 58.447 58.447 57.989 0.458 19764 197 1 2 . 1 1 3 3 SER CB C 3 63.931 63.931 64.076 -0.145 19764 198 1 2 . 1 1 3 3 SER H H 3 7.993 7.993 8.479 -0.486 19764 199 1 2 . 1 1 4 4 ALA N N 4 125.695 125.695 126.428 -0.733 19764 200 1 2 . 1 1 4 4 ALA HA H 4 4.475 4.475 4.362 0.113 19764 201 1 2 . 1 1 4 4 ALA CA C 4 54.340 54.340 54.940 -0.599 19764 202 1 2 . 1 1 4 4 ALA CB C 4 16.965 16.965 16.671 0.294 19764 203 1 2 . 1 1 4 4 ALA H H 4 8.476 8.476 8.279 0.197 19764 204 1 2 . 1 1 5 5 PRO HA H 5 4.273 4.273 4.350 -0.077 19764 205 1 2 . 1 1 5 5 PRO C C 5 177.273 177.273 178.400 -1.127 19764 206 1 2 . 1 1 5 5 PRO CA C 5 65.399 65.399 65.463 -0.064 19764 207 1 2 . 1 1 5 5 PRO CB C 5 30.875 30.875 31.423 -0.548 19764 208 1 2 . 1 1 6 6 PHE N N 6 116.345 116.345 118.587 -2.242 19764 209 1 2 . 1 1 6 6 PHE HA H 6 4.255 4.255 4.523 -0.268 19764 210 1 2 . 1 1 6 6 PHE C C 6 177.011 177.011 176.951 0.060 19764 211 1 2 . 1 1 6 6 PHE CA C 6 61.203 61.203 59.705 1.498 19764 212 1 2 . 1 1 6 6 PHE CB C 6 38.703 38.703 38.983 -0.280 19764 213 1 2 . 1 1 6 6 PHE H H 6 7.769 7.769 8.659 -0.890 19764 214 1 2 . 1 1 7 7 GLU N N 7 118.531 118.531 119.740 -1.209 19764 215 1 2 . 1 1 7 7 GLU HA H 7 3.972 3.972 3.870 0.102 19764 216 1 2 . 1 1 7 7 GLU C C 7 177.743 177.743 178.824 -1.081 19764 217 1 2 . 1 1 7 7 GLU CA C 7 59.818 59.818 59.355 0.463 19764 218 1 2 . 1 1 7 7 GLU CB C 7 28.080 28.080 29.614 -1.534 19764 219 1 2 . 1 1 7 7 GLU H H 7 8.334 8.334 7.577 0.757 19764 220 1 2 . 1 1 8 8 LEU N N 8 119.001 119.001 120.131 -1.130 19764 221 1 2 . 1 1 8 8 LEU HA H 8 4.112 4.112 3.980 0.132 19764 222 1 2 . 1 1 8 8 LEU C C 8 177.995 177.995 178.985 -0.990 19764 223 1 2 . 1 1 8 8 LEU CA C 8 58.093 58.093 57.870 0.223 19764 224 1 2 . 1 1 8 8 LEU CB C 8 41.424 41.424 40.891 0.533 19764 225 1 2 . 1 1 8 8 LEU H H 8 8.254 8.254 7.490 0.764 19764 226 1 2 . 1 1 9 9 PHE N N 9 118.536 118.536 118.449 0.087 19764 227 1 2 . 1 1 9 9 PHE HA H 9 4.071 4.071 4.044 0.027 19764 228 1 2 . 1 1 9 9 PHE C C 9 177.219 177.219 177.963 -0.744 19764 229 1 2 . 1 1 9 9 PHE CA C 9 61.496 61.496 62.764 -1.268 19764 230 1 2 . 1 1 9 9 PHE CB C 9 38.768 38.768 38.436 0.332 19764 231 1 2 . 1 1 9 9 PHE H H 9 8.148 8.148 7.729 0.419 19764 232 1 2 . 1 1 10 10 PHE N N 10 119.124 119.124 119.643 -0.519 19764 233 1 2 . 1 1 10 10 PHE HA H 10 4.067 4.067 4.023 0.044 19764 234 1 2 . 1 1 10 10 PHE CA C 10 61.545 61.545 61.540 0.005 19764 235 1 2 . 1 1 10 10 PHE CB C 10 38.850 38.850 38.877 -0.027 19764 236 1 2 . 1 1 10 10 PHE H H 10 8.572 8.572 7.803 0.769 19764 237 1 2 . 1 1 11 11 MET N N 11 120.911 120.911 119.037 1.874 19764 238 1 2 . 1 1 11 11 MET HA H 11 4.019 4.019 4.060 -0.041 19764 239 1 2 . 1 1 11 11 MET C C 11 178.246 178.246 178.338 -0.092 19764 240 1 2 . 1 1 11 11 MET CA C 11 59.255 59.255 58.737 0.518 19764 241 1 2 . 1 1 11 11 MET CB C 11 32.680 32.680 32.017 0.663 19764 242 1 2 . 1 1 11 11 MET H H 11 8.555 8.555 7.921 0.634 19764 243 1 2 . 1 1 12 12 ILE N N 12 120.842 120.842 118.862 1.980 19764 244 1 2 . 1 1 12 12 ILE HA H 12 3.560 3.560 3.632 -0.072 19764 245 1 2 . 1 1 12 12 ILE C C 12 176.760 176.760 177.372 -0.612 19764 246 1 2 . 1 1 12 12 ILE CA C 12 65.194 65.194 65.005 0.189 19764 247 1 2 . 1 1 12 12 ILE CB C 12 37.587 37.587 37.986 -0.399 19764 248 1 2 . 1 1 12 12 ILE H H 12 8.536 8.536 8.311 0.225 19764 249 1 2 . 1 1 13 13 ASN N N 13 117.647 117.647 118.586 -0.939 19764 250 1 2 . 1 1 13 13 ASN HA H 13 4.144 4.144 4.312 -0.168 19764 251 1 2 . 1 1 13 13 ASN C C 13 176.858 176.858 177.774 -0.916 19764 252 1 2 . 1 1 13 13 ASN CA C 13 57.064 57.064 56.836 0.228 19764 253 1 2 . 1 1 13 13 ASN CB C 13 38.939 38.939 38.367 0.572 19764 254 1 2 . 1 1 13 13 ASN H H 13 8.097 8.097 8.642 -0.545 19764 255 1 2 . 1 1 14 14 THR N N 14 114.513 114.513 116.154 -1.641 19764 256 1 2 . 1 1 14 14 THR HA H 14 3.651 3.651 3.693 -0.042 19764 257 1 2 . 1 1 14 14 THR C C 14 175.252 175.252 176.461 -1.209 19764 258 1 2 . 1 1 14 14 THR CA C 14 67.551 67.551 66.360 1.191 19764 259 1 2 . 1 1 14 14 THR CB C 14 67.810 67.810 67.802 0.008 19764 260 1 2 . 1 1 14 14 THR H H 14 8.018 8.018 7.955 0.063 19764 261 1 2 . 1 1 15 15 SER N N 15 117.295 117.295 117.587 -0.292 19764 262 1 2 . 1 1 15 15 SER HA H 15 3.986 3.986 4.170 -0.184 19764 263 1 2 . 1 1 15 15 SER C C 15 174.782 174.782 176.284 -1.502 19764 264 1 2 . 1 1 15 15 SER CA C 15 63.103 63.103 61.751 1.352 19764 265 1 2 . 1 1 15 15 SER CB C 15 62.684 62.684 62.777 -0.093 19764 266 1 2 . 1 1 15 15 SER H H 15 7.733 7.733 7.525 0.208 19764 267 1 2 . 1 1 16 16 ILE N N 16 120.420 120.420 122.023 -1.603 19764 268 1 2 . 1 1 16 16 ILE HA H 16 3.508 3.508 3.682 -0.174 19764 269 1 2 . 1 1 16 16 ILE C C 16 176.694 176.694 177.861 -1.167 19764 270 1 2 . 1 1 16 16 ILE CA C 16 64.887 64.887 65.164 -0.277 19764 271 1 2 . 1 1 16 16 ILE CB C 16 37.036 37.036 37.716 -0.680 19764 272 1 2 . 1 1 16 16 ILE H H 16 7.747 7.747 7.681 0.066 19764 273 1 2 . 1 1 17 17 LEU N N 17 119.529 119.529 120.152 -0.623 19764 274 1 2 . 1 1 17 17 LEU HA H 17 4.007 4.007 4.031 -0.024 19764 275 1 2 . 1 1 17 17 LEU C C 17 178.060 178.060 178.409 -0.349 19764 276 1 2 . 1 1 17 17 LEU CA C 17 58.262 58.262 57.955 0.308 19764 277 1 2 . 1 1 17 17 LEU CB C 17 41.525 41.525 42.117 -0.592 19764 278 1 2 . 1 1 17 17 LEU H H 17 7.677 7.677 7.943 -0.266 19764 279 1 2 . 1 1 18 18 LEU N N 18 117.308 117.308 119.937 -2.629 19764 280 1 2 . 1 1 18 18 LEU HA H 18 3.929 3.929 3.261 0.668 19764 281 1 2 . 1 1 18 18 LEU C C 18 178.016 178.016 178.885 -0.869 19764 282 1 2 . 1 1 18 18 LEU CA C 18 58.168 58.168 57.869 0.299 19764 283 1 2 . 1 1 18 18 LEU CB C 18 41.416 41.416 41.446 -0.030 19764 284 1 2 . 1 1 18 18 LEU H H 18 8.087 8.087 8.093 -0.006 19764 285 1 2 . 1 1 19 19 ILE N N 19 118.636 118.636 119.415 -0.779 19764 286 1 2 . 1 1 19 19 ILE HA H 19 3.626 3.626 3.628 -0.002 19764 287 1 2 . 1 1 19 19 ILE C C 19 177.131 177.131 177.384 -0.253 19764 288 1 2 . 1 1 19 19 ILE CA C 19 65.504 65.504 65.937 -0.433 19764 289 1 2 . 1 1 19 19 ILE CB C 19 37.242 37.242 37.966 -0.724 19764 290 1 2 . 1 1 19 19 ILE H H 19 8.108 8.108 8.712 -0.604 19764 291 1 2 . 1 1 20 20 PHE N N 20 119.349 119.349 119.494 -0.145 19764 292 1 2 . 1 1 20 20 PHE HA H 20 4.204 4.204 4.180 0.024 19764 293 1 2 . 1 1 20 20 PHE C C 20 176.771 176.771 177.703 -0.932 19764 294 1 2 . 1 1 20 20 PHE CA C 20 61.540 61.540 60.916 0.624 19764 295 1 2 . 1 1 20 20 PHE CB C 20 38.503 38.503 39.010 -0.507 19764 296 1 2 . 1 1 20 20 PHE H H 20 8.448 8.448 7.493 0.955 19764 297 1 2 . 1 1 21 21 ILE N N 21 118.342 118.342 120.476 -2.134 19764 298 1 2 . 1 1 21 21 ILE HA H 21 3.428 3.428 3.412 0.016 19764 299 1 2 . 1 1 21 21 ILE C C 21 176.989 176.989 177.670 -0.681 19764 300 1 2 . 1 1 21 21 ILE CA C 21 65.547 65.547 65.690 -0.143 19764 301 1 2 . 1 1 21 21 ILE CB C 21 37.354 37.354 37.725 -0.371 19764 302 1 2 . 1 1 21 21 ILE H H 21 8.485 8.485 8.356 0.129 19764 303 1 2 . 1 1 22 22 PHE N N 22 119.166 119.166 118.930 0.236 19764 304 1 2 . 1 1 22 22 PHE HA H 22 4.207 4.207 4.226 -0.019 19764 305 1 2 . 1 1 22 22 PHE C C 22 176.880 176.880 178.006 -1.126 19764 306 1 2 . 1 1 22 22 PHE CA C 22 61.174 61.174 60.691 0.483 19764 307 1 2 . 1 1 22 22 PHE CB C 22 38.432 38.432 37.841 0.591 19764 308 1 2 . 1 1 22 22 PHE H H 22 8.576 8.576 7.886 0.690 19764 309 1 2 . 1 1 23 23 ILE N N 23 118.582 118.582 119.228 -0.646 19764 310 1 2 . 1 1 23 23 ILE HA H 23 3.552 3.552 3.663 -0.111 19764 311 1 2 . 1 1 23 23 ILE C C 23 177.284 177.284 177.904 -0.620 19764 312 1 2 . 1 1 23 23 ILE CA C 23 65.453 65.453 66.190 -0.737 19764 313 1 2 . 1 1 23 23 ILE CB C 23 37.112 37.112 37.769 -0.657 19764 314 1 2 . 1 1 23 23 ILE H H 23 8.508 8.508 8.523 -0.015 19764 315 1 2 . 1 1 24 24 VAL N N 24 119.194 119.194 118.324 0.870 19764 316 1 2 . 1 1 24 24 VAL HA H 24 3.446 3.446 3.418 0.028 19764 317 1 2 . 1 1 24 24 VAL C C 24 178.060 178.060 177.502 0.558 19764 318 1 2 . 1 1 24 24 VAL CA C 24 67.298 67.298 66.143 1.155 19764 319 1 2 . 1 1 24 24 VAL CB C 24 30.785 30.785 31.313 -0.528 19764 320 1 2 . 1 1 24 24 VAL H H 24 8.212 8.212 7.221 0.991 19764 321 1 2 . 1 1 25 25 LEU N N 25 119.253 119.253 120.535 -1.282 19764 322 1 2 . 1 1 25 25 LEU HA H 25 3.956 3.956 3.894 0.062 19764 323 1 2 . 1 1 25 25 LEU C C 25 178.574 178.574 179.247 -0.673 19764 324 1 2 . 1 1 25 25 LEU CA C 25 58.254 58.254 57.780 0.474 19764 325 1 2 . 1 1 25 25 LEU CB C 25 41.536 41.536 41.613 -0.077 19764 326 1 2 . 1 1 25 25 LEU H H 25 8.442 8.442 7.740 0.702 19764 327 1 2 . 1 1 26 26 LEU N N 26 121.151 121.151 119.427 1.724 19764 328 1 2 . 1 1 26 26 LEU HA H 26 3.915 3.915 4.116 -0.201 19764 329 1 2 . 1 1 26 26 LEU C C 26 178.770 178.770 179.591 -0.821 19764 330 1 2 . 1 1 26 26 LEU CA C 26 58.658 58.658 58.476 0.182 19764 331 1 2 . 1 1 26 26 LEU CB C 26 41.590 41.590 40.717 0.873 19764 332 1 2 . 1 1 26 26 LEU H H 26 8.639 8.639 8.162 0.477 19764 333 1 2 . 1 1 27 27 ILE N N 27 118.583 118.583 119.250 -0.667 19764 334 1 2 . 1 1 27 27 ILE HA H 27 3.551 3.551 3.857 -0.306 19764 335 1 2 . 1 1 27 27 ILE C C 27 178.333 178.333 178.198 0.135 19764 336 1 2 . 1 1 27 27 ILE CA C 27 65.199 65.199 64.787 0.412 19764 337 1 2 . 1 1 27 27 ILE CB C 27 37.564 37.564 37.755 -0.191 19764 338 1 2 . 1 1 27 27 ILE H H 27 8.475 8.475 7.344 1.131 19764 339 1 2 . 1 1 28 28 HIS N N 28 117.341 117.341 119.424 -2.083 19764 340 1 2 . 1 1 28 28 HIS HA H 28 4.353 4.353 4.452 -0.099 19764 341 1 2 . 1 1 28 28 HIS C C 28 176.498 176.498 177.722 -1.224 19764 342 1 2 . 1 1 28 28 HIS CA C 28 59.110 59.110 59.534 -0.424 19764 343 1 2 . 1 1 28 28 HIS CB C 28 28.024 28.024 29.737 -1.713 19764 344 1 2 . 1 1 28 28 HIS H H 28 8.415 8.415 7.869 0.546 19764 345 1 2 . 1 1 29 29 PHE N N 29 115.694 115.694 116.823 -1.129 19764 346 1 2 . 1 1 29 29 PHE HA H 29 4.337 4.337 4.599 -0.262 19764 347 1 2 . 1 1 29 29 PHE C C 29 176.924 176.924 177.176 -0.252 19764 348 1 2 . 1 1 29 29 PHE CA C 29 60.735 60.735 59.658 1.077 19764 349 1 2 . 1 1 29 29 PHE CB C 29 39.449 39.449 39.488 -0.039 19764 350 1 2 . 1 1 29 29 PHE H H 29 8.727 8.727 7.989 0.738 19764 351 1 2 . 1 1 30 30 GLU N N 30 115.099 115.099 118.613 -3.514 19764 352 1 2 . 1 1 30 30 GLU HA H 30 4.336 4.336 4.359 -0.023 19764 353 1 2 . 1 1 30 30 GLU C C 30 176.563 176.563 177.262 -0.699 19764 354 1 2 . 1 1 30 30 GLU CA C 30 55.482 55.482 57.391 -1.909 19764 355 1 2 . 1 1 30 30 GLU CB C 30 28.002 28.002 30.189 -2.187 19764 356 1 2 . 1 1 30 30 GLU H H 30 8.319 8.319 8.189 0.130 19764 357 1 2 . 1 1 31 31 GLY N N 31 107.479 107.479 107.813 -0.334 19764 358 1 2 . 1 1 31 31 GLY C C 31 173.766 173.766 173.649 0.117 19764 359 1 2 . 1 1 31 31 GLY CA C 31 45.982 45.982 44.653 1.329 19764 360 1 2 . 1 1 31 31 GLY H H 31 7.850 7.850 7.858 -0.008 19764 361 1 2 . 1 1 32 32 TRP N N 32 118.981 118.981 121.609 -2.628 19764 362 1 2 . 1 1 32 32 TRP HA H 32 4.645 4.645 4.659 -0.014 19764 363 1 2 . 1 1 32 32 TRP C C 32 175.350 175.350 174.358 0.992 19764 364 1 2 . 1 1 32 32 TRP CA C 32 56.455 56.455 57.293 -0.838 19764 365 1 2 . 1 1 32 32 TRP CB C 32 29.033 29.033 31.370 -2.337 19764 366 1 2 . 1 1 32 32 TRP H H 32 7.530 7.530 7.583 -0.053 19764 367 1 2 . 1 1 33 33 ARG N N 33 121.186 121.186 124.959 -3.773 19764 368 1 2 . 1 1 33 33 ARG HA H 33 4.273 4.273 4.291 -0.018 19764 369 1 2 . 1 1 33 33 ARG C C 33 174.990 174.990 174.844 0.146 19764 370 1 2 . 1 1 33 33 ARG CA C 33 55.581 55.581 55.360 0.221 19764 371 1 2 . 1 1 33 33 ARG CB C 33 30.661 30.661 30.784 -0.123 19764 372 1 2 . 1 1 33 33 ARG H H 33 7.926 7.926 8.150 -0.224 19764 373 1 3 . 1 1 2 2 ASP N N 2 118.854 118.854 123.099 -4.245 19764 374 1 3 . 1 1 2 2 ASP HA H 2 4.701 4.701 4.988 -0.287 19764 375 1 3 . 1 1 2 2 ASP C C 2 175.219 175.219 175.729 -0.510 19764 376 1 3 . 1 1 2 2 ASP CA C 2 53.518 53.518 54.448 -0.930 19764 377 1 3 . 1 1 2 2 ASP CB C 2 39.533 39.533 42.506 -2.973 19764 378 1 3 . 1 1 2 2 ASP H H 2 8.445 8.445 8.514 -0.069 19764 379 1 3 . 1 1 3 3 SER N N 3 114.607 114.607 119.136 -4.529 19764 380 1 3 . 1 1 3 3 SER HA H 3 4.513 4.513 4.930 -0.417 19764 381 1 3 . 1 1 3 3 SER C C 3 174.542 174.542 174.957 -0.415 19764 382 1 3 . 1 1 3 3 SER CA C 3 58.447 58.447 57.933 0.514 19764 383 1 3 . 1 1 3 3 SER CB C 3 63.931 63.931 64.327 -0.396 19764 384 1 3 . 1 1 3 3 SER H H 3 7.993 7.993 8.668 -0.675 19764 385 1 3 . 1 1 4 4 ALA N N 4 125.695 125.695 126.353 -0.658 19764 386 1 3 . 1 1 4 4 ALA HA H 4 4.475 4.475 4.421 0.054 19764 387 1 3 . 1 1 4 4 ALA CA C 4 54.340 54.340 55.110 -0.770 19764 388 1 3 . 1 1 4 4 ALA CB C 4 16.965 16.965 17.018 -0.053 19764 389 1 3 . 1 1 4 4 ALA H H 4 8.476 8.476 8.335 0.141 19764 390 1 3 . 1 1 5 5 PRO HA H 5 4.273 4.273 4.275 -0.002 19764 391 1 3 . 1 1 5 5 PRO C C 5 177.273 177.273 178.319 -1.046 19764 392 1 3 . 1 1 5 5 PRO CA C 5 65.399 65.399 65.057 0.342 19764 393 1 3 . 1 1 5 5 PRO CB C 5 30.875 30.875 31.410 -0.535 19764 394 1 3 . 1 1 6 6 PHE N N 6 116.345 116.345 117.825 -1.480 19764 395 1 3 . 1 1 6 6 PHE HA H 6 4.255 4.255 4.666 -0.411 19764 396 1 3 . 1 1 6 6 PHE C C 6 177.011 177.011 177.666 -0.655 19764 397 1 3 . 1 1 6 6 PHE CA C 6 61.203 61.203 61.133 0.070 19764 398 1 3 . 1 1 6 6 PHE CB C 6 38.703 38.703 38.887 -0.184 19764 399 1 3 . 1 1 6 6 PHE H H 6 7.769 7.769 8.140 -0.371 19764 400 1 3 . 1 1 7 7 GLU N N 7 118.531 118.531 120.513 -1.982 19764 401 1 3 . 1 1 7 7 GLU HA H 7 3.972 3.972 4.151 -0.179 19764 402 1 3 . 1 1 7 7 GLU C C 7 177.743 177.743 179.160 -1.417 19764 403 1 3 . 1 1 7 7 GLU CA C 7 59.818 59.818 59.379 0.439 19764 404 1 3 . 1 1 7 7 GLU CB C 7 28.080 28.080 29.463 -1.383 19764 405 1 3 . 1 1 7 7 GLU H H 7 8.334 8.334 7.927 0.407 19764 406 1 3 . 1 1 8 8 LEU N N 8 119.001 119.001 120.364 -1.363 19764 407 1 3 . 1 1 8 8 LEU HA H 8 4.112 4.112 4.097 0.015 19764 408 1 3 . 1 1 8 8 LEU C C 8 177.995 177.995 178.876 -0.881 19764 409 1 3 . 1 1 8 8 LEU CA C 8 58.093 58.093 57.948 0.145 19764 410 1 3 . 1 1 8 8 LEU CB C 8 41.424 41.424 41.843 -0.419 19764 411 1 3 . 1 1 8 8 LEU H H 8 8.254 8.254 7.565 0.689 19764 412 1 3 . 1 1 9 9 PHE N N 9 118.536 118.536 117.724 0.812 19764 413 1 3 . 1 1 9 9 PHE HA H 9 4.071 4.071 4.128 -0.057 19764 414 1 3 . 1 1 9 9 PHE C C 9 177.219 177.219 177.920 -0.701 19764 415 1 3 . 1 1 9 9 PHE CA C 9 61.496 61.496 62.393 -0.897 19764 416 1 3 . 1 1 9 9 PHE CB C 9 38.768 38.768 38.634 0.134 19764 417 1 3 . 1 1 9 9 PHE H H 9 8.148 8.148 7.660 0.488 19764 418 1 3 . 1 1 10 10 PHE N N 10 119.124 119.124 118.537 0.587 19764 419 1 3 . 1 1 10 10 PHE HA H 10 4.067 4.067 4.365 -0.298 19764 420 1 3 . 1 1 10 10 PHE CA C 10 61.545 61.545 61.163 0.382 19764 421 1 3 . 1 1 10 10 PHE CB C 10 38.850 38.850 39.297 -0.447 19764 422 1 3 . 1 1 10 10 PHE H H 10 8.572 8.572 7.627 0.945 19764 423 1 3 . 1 1 11 11 MET N N 11 120.911 120.911 119.483 1.428 19764 424 1 3 . 1 1 11 11 MET HA H 11 4.019 4.019 4.090 -0.071 19764 425 1 3 . 1 1 11 11 MET C C 11 178.246 178.246 178.173 0.073 19764 426 1 3 . 1 1 11 11 MET CA C 11 59.255 59.255 59.339 -0.084 19764 427 1 3 . 1 1 11 11 MET CB C 11 32.680 32.680 32.658 0.022 19764 428 1 3 . 1 1 11 11 MET H H 11 8.555 8.555 7.415 1.140 19764 429 1 3 . 1 1 12 12 ILE N N 12 120.842 120.842 119.441 1.401 19764 430 1 3 . 1 1 12 12 ILE HA H 12 3.560 3.560 3.583 -0.023 19764 431 1 3 . 1 1 12 12 ILE C C 12 176.760 176.760 177.278 -0.518 19764 432 1 3 . 1 1 12 12 ILE CA C 12 65.194 65.194 65.549 -0.355 19764 433 1 3 . 1 1 12 12 ILE CB C 12 37.587 37.587 37.676 -0.089 19764 434 1 3 . 1 1 12 12 ILE H H 12 8.536 8.536 8.506 0.030 19764 435 1 3 . 1 1 13 13 ASN N N 13 117.647 117.647 117.768 -0.121 19764 436 1 3 . 1 1 13 13 ASN HA H 13 4.144 4.144 4.317 -0.173 19764 437 1 3 . 1 1 13 13 ASN C C 13 176.858 176.858 177.652 -0.794 19764 438 1 3 . 1 1 13 13 ASN CA C 13 57.064 57.064 56.476 0.588 19764 439 1 3 . 1 1 13 13 ASN CB C 13 38.939 38.939 38.414 0.525 19764 440 1 3 . 1 1 13 13 ASN H H 13 8.097 8.097 7.790 0.307 19764 441 1 3 . 1 1 14 14 THR N N 14 114.513 114.513 114.037 0.476 19764 442 1 3 . 1 1 14 14 THR HA H 14 3.651 3.651 3.903 -0.252 19764 443 1 3 . 1 1 14 14 THR C C 14 175.252 175.252 176.611 -1.359 19764 444 1 3 . 1 1 14 14 THR CA C 14 67.551 67.551 65.360 2.191 19764 445 1 3 . 1 1 14 14 THR CB C 14 67.810 67.810 68.106 -0.296 19764 446 1 3 . 1 1 14 14 THR H H 14 8.018 8.018 7.505 0.513 19764 447 1 3 . 1 1 15 15 SER N N 15 117.295 117.295 117.798 -0.503 19764 448 1 3 . 1 1 15 15 SER HA H 15 3.986 3.986 4.253 -0.267 19764 449 1 3 . 1 1 15 15 SER C C 15 174.782 174.782 176.453 -1.671 19764 450 1 3 . 1 1 15 15 SER CA C 15 63.103 63.103 61.563 1.540 19764 451 1 3 . 1 1 15 15 SER CB C 15 62.684 62.684 62.706 -0.022 19764 452 1 3 . 1 1 15 15 SER H H 15 7.733 7.733 7.235 0.498 19764 453 1 3 . 1 1 16 16 ILE N N 16 120.420 120.420 121.482 -1.062 19764 454 1 3 . 1 1 16 16 ILE HA H 16 3.508 3.508 3.683 -0.175 19764 455 1 3 . 1 1 16 16 ILE C C 16 176.694 176.694 178.040 -1.346 19764 456 1 3 . 1 1 16 16 ILE CA C 16 64.887 64.887 64.972 -0.086 19764 457 1 3 . 1 1 16 16 ILE CB C 16 37.036 37.036 37.684 -0.648 19764 458 1 3 . 1 1 16 16 ILE H H 16 7.747 7.747 7.754 -0.007 19764 459 1 3 . 1 1 17 17 LEU N N 17 119.529 119.529 120.454 -0.925 19764 460 1 3 . 1 1 17 17 LEU HA H 17 4.007 4.007 4.049 -0.042 19764 461 1 3 . 1 1 17 17 LEU C C 17 178.060 178.060 178.434 -0.374 19764 462 1 3 . 1 1 17 17 LEU CA C 17 58.262 58.262 57.870 0.392 19764 463 1 3 . 1 1 17 17 LEU CB C 17 41.525 41.525 42.168 -0.643 19764 464 1 3 . 1 1 17 17 LEU H H 17 7.677 7.677 7.381 0.296 19764 465 1 3 . 1 1 18 18 LEU N N 18 117.308 117.308 119.894 -2.586 19764 466 1 3 . 1 1 18 18 LEU HA H 18 3.929 3.929 3.255 0.674 19764 467 1 3 . 1 1 18 18 LEU C C 18 178.016 178.016 178.876 -0.860 19764 468 1 3 . 1 1 18 18 LEU CA C 18 58.168 58.168 57.869 0.299 19764 469 1 3 . 1 1 18 18 LEU CB C 18 41.416 41.416 41.414 0.002 19764 470 1 3 . 1 1 18 18 LEU H H 18 8.087 8.087 8.145 -0.058 19764 471 1 3 . 1 1 19 19 ILE N N 19 118.636 118.636 119.530 -0.894 19764 472 1 3 . 1 1 19 19 ILE HA H 19 3.626 3.626 3.643 -0.017 19764 473 1 3 . 1 1 19 19 ILE C C 19 177.131 177.131 177.540 -0.409 19764 474 1 3 . 1 1 19 19 ILE CA C 19 65.504 65.504 65.731 -0.227 19764 475 1 3 . 1 1 19 19 ILE CB C 19 37.242 37.242 37.900 -0.658 19764 476 1 3 . 1 1 19 19 ILE H H 19 8.108 8.108 8.282 -0.174 19764 477 1 3 . 1 1 20 20 PHE N N 20 119.349 119.349 119.537 -0.188 19764 478 1 3 . 1 1 20 20 PHE HA H 20 4.204 4.204 4.185 0.019 19764 479 1 3 . 1 1 20 20 PHE C C 20 176.771 176.771 177.683 -0.912 19764 480 1 3 . 1 1 20 20 PHE CA C 20 61.540 61.540 60.899 0.641 19764 481 1 3 . 1 1 20 20 PHE CB C 20 38.503 38.503 39.048 -0.545 19764 482 1 3 . 1 1 20 20 PHE H H 20 8.448 8.448 7.479 0.969 19764 483 1 3 . 1 1 21 21 ILE N N 21 118.342 118.342 120.504 -2.162 19764 484 1 3 . 1 1 21 21 ILE HA H 21 3.428 3.428 3.419 0.009 19764 485 1 3 . 1 1 21 21 ILE C C 21 176.989 176.989 177.638 -0.649 19764 486 1 3 . 1 1 21 21 ILE CA C 21 65.547 65.547 65.733 -0.186 19764 487 1 3 . 1 1 21 21 ILE CB C 21 37.354 37.354 37.736 -0.382 19764 488 1 3 . 1 1 21 21 ILE H H 21 8.485 8.485 8.404 0.081 19764 489 1 3 . 1 1 22 22 PHE N N 22 119.166 119.166 118.966 0.200 19764 490 1 3 . 1 1 22 22 PHE HA H 22 4.207 4.207 4.239 -0.032 19764 491 1 3 . 1 1 22 22 PHE C C 22 176.880 176.880 178.000 -1.120 19764 492 1 3 . 1 1 22 22 PHE CA C 22 61.174 61.174 60.531 0.643 19764 493 1 3 . 1 1 22 22 PHE CB C 22 38.432 38.432 37.824 0.608 19764 494 1 3 . 1 1 22 22 PHE H H 22 8.576 8.576 7.861 0.715 19764 495 1 3 . 1 1 23 23 ILE N N 23 118.582 118.582 119.169 -0.587 19764 496 1 3 . 1 1 23 23 ILE HA H 23 3.552 3.552 3.665 -0.113 19764 497 1 3 . 1 1 23 23 ILE C C 23 177.284 177.284 177.719 -0.435 19764 498 1 3 . 1 1 23 23 ILE CA C 23 65.453 65.453 66.098 -0.645 19764 499 1 3 . 1 1 23 23 ILE CB C 23 37.112 37.112 37.623 -0.511 19764 500 1 3 . 1 1 23 23 ILE H H 23 8.508 8.508 8.534 -0.026 19764 501 1 3 . 1 1 24 24 VAL N N 24 119.194 119.194 118.426 0.768 19764 502 1 3 . 1 1 24 24 VAL HA H 24 3.446 3.446 3.454 -0.008 19764 503 1 3 . 1 1 24 24 VAL C C 24 178.060 178.060 177.512 0.548 19764 504 1 3 . 1 1 24 24 VAL CA C 24 67.298 67.298 66.077 1.221 19764 505 1 3 . 1 1 24 24 VAL CB C 24 30.785 30.785 31.129 -0.344 19764 506 1 3 . 1 1 24 24 VAL H H 24 8.212 8.212 7.235 0.977 19764 507 1 3 . 1 1 25 25 LEU N N 25 119.253 119.253 120.478 -1.225 19764 508 1 3 . 1 1 25 25 LEU HA H 25 3.956 3.956 3.850 0.106 19764 509 1 3 . 1 1 25 25 LEU C C 25 178.574 178.574 179.493 -0.919 19764 510 1 3 . 1 1 25 25 LEU CA C 25 58.254 58.254 57.751 0.503 19764 511 1 3 . 1 1 25 25 LEU CB C 25 41.536 41.536 41.572 -0.036 19764 512 1 3 . 1 1 25 25 LEU H H 25 8.442 8.442 7.745 0.697 19764 513 1 3 . 1 1 26 26 LEU N N 26 121.151 121.151 119.799 1.352 19764 514 1 3 . 1 1 26 26 LEU HA H 26 3.915 3.915 4.033 -0.118 19764 515 1 3 . 1 1 26 26 LEU C C 26 178.770 178.770 179.405 -0.635 19764 516 1 3 . 1 1 26 26 LEU CA C 26 58.658 58.658 58.254 0.404 19764 517 1 3 . 1 1 26 26 LEU CB C 26 41.590 41.590 40.805 0.785 19764 518 1 3 . 1 1 26 26 LEU H H 26 8.639 8.639 8.106 0.533 19764 519 1 3 . 1 1 27 27 ILE N N 27 118.583 118.583 118.720 -0.137 19764 520 1 3 . 1 1 27 27 ILE HA H 27 3.551 3.551 3.408 0.143 19764 521 1 3 . 1 1 27 27 ILE C C 27 178.333 178.333 177.729 0.604 19764 522 1 3 . 1 1 27 27 ILE CA C 27 65.199 65.199 65.608 -0.409 19764 523 1 3 . 1 1 27 27 ILE CB C 27 37.564 37.564 37.474 0.090 19764 524 1 3 . 1 1 27 27 ILE H H 27 8.475 8.475 7.387 1.088 19764 525 1 3 . 1 1 28 28 HIS N N 28 117.341 117.341 117.976 -0.635 19764 526 1 3 . 1 1 28 28 HIS HA H 28 4.353 4.353 4.292 0.061 19764 527 1 3 . 1 1 28 28 HIS C C 28 176.498 176.498 177.706 -1.208 19764 528 1 3 . 1 1 28 28 HIS CA C 28 59.110 59.110 60.079 -0.969 19764 529 1 3 . 1 1 28 28 HIS CB C 28 28.024 28.024 29.881 -1.857 19764 530 1 3 . 1 1 28 28 HIS H H 28 8.415 8.415 7.775 0.640 19764 531 1 3 . 1 1 29 29 PHE N N 29 115.694 115.694 117.124 -1.430 19764 532 1 3 . 1 1 29 29 PHE HA H 29 4.337 4.337 4.524 -0.187 19764 533 1 3 . 1 1 29 29 PHE C C 29 176.924 176.924 177.212 -0.288 19764 534 1 3 . 1 1 29 29 PHE CA C 29 60.735 60.735 58.775 1.960 19764 535 1 3 . 1 1 29 29 PHE CB C 29 39.449 39.449 39.372 0.077 19764 536 1 3 . 1 1 29 29 PHE H H 29 8.727 8.727 7.718 1.009 19764 537 1 3 . 1 1 30 30 GLU N N 30 115.099 115.099 119.119 -4.020 19764 538 1 3 . 1 1 30 30 GLU HA H 30 4.336 4.336 4.291 0.045 19764 539 1 3 . 1 1 30 30 GLU C C 30 176.563 176.563 177.287 -0.724 19764 540 1 3 . 1 1 30 30 GLU CA C 30 55.482 55.482 57.117 -1.635 19764 541 1 3 . 1 1 30 30 GLU CB C 30 28.002 28.002 30.175 -2.173 19764 542 1 3 . 1 1 30 30 GLU H H 30 8.319 8.319 8.356 -0.037 19764 543 1 3 . 1 1 31 31 GLY N N 31 107.479 107.479 106.821 0.658 19764 544 1 3 . 1 1 31 31 GLY C C 31 173.766 173.766 174.006 -0.240 19764 545 1 3 . 1 1 31 31 GLY CA C 31 45.982 45.982 44.691 1.291 19764 546 1 3 . 1 1 31 31 GLY H H 31 7.850 7.850 7.793 0.057 19764 547 1 3 . 1 1 32 32 TRP N N 32 118.981 118.981 120.338 -1.357 19764 548 1 3 . 1 1 32 32 TRP HA H 32 4.645 4.645 4.794 -0.149 19764 549 1 3 . 1 1 32 32 TRP C C 32 175.350 175.350 175.957 -0.607 19764 550 1 3 . 1 1 32 32 TRP CA C 32 56.455 56.455 56.644 -0.189 19764 551 1 3 . 1 1 32 32 TRP CB C 32 29.033 29.033 30.549 -1.516 19764 552 1 3 . 1 1 32 32 TRP H H 32 7.530 7.530 7.607 -0.077 19764 553 1 3 . 1 1 33 33 ARG N N 33 121.186 121.186 119.865 1.321 19764 554 1 3 . 1 1 33 33 ARG HA H 33 4.273 4.273 4.321 -0.048 19764 555 1 3 . 1 1 33 33 ARG C C 33 174.990 174.990 175.684 -0.694 19764 556 1 3 . 1 1 33 33 ARG CA C 33 55.581 55.581 55.319 0.262 19764 557 1 3 . 1 1 33 33 ARG CB C 33 30.661 30.661 29.134 1.527 19764 558 1 3 . 1 1 33 33 ARG H H 33 7.926 7.926 8.122 -0.196 19764 559 1 4 . 1 1 2 2 ASP N N 2 118.854 118.854 121.545 -2.691 19764 560 1 4 . 1 1 2 2 ASP HA H 2 4.701 4.701 4.837 -0.136 19764 561 1 4 . 1 1 2 2 ASP C C 2 175.219 175.219 175.526 -0.307 19764 562 1 4 . 1 1 2 2 ASP CA C 2 53.518 53.518 54.257 -0.739 19764 563 1 4 . 1 1 2 2 ASP CB C 2 39.533 39.533 42.109 -2.576 19764 564 1 4 . 1 1 2 2 ASP H H 2 8.445 8.445 7.939 0.506 19764 565 1 4 . 1 1 3 3 SER N N 3 114.607 114.607 118.202 -3.595 19764 566 1 4 . 1 1 3 3 SER HA H 3 4.513 4.513 4.669 -0.156 19764 567 1 4 . 1 1 3 3 SER C C 3 174.542 174.542 175.275 -0.733 19764 568 1 4 . 1 1 3 3 SER CA C 3 58.447 58.447 57.696 0.751 19764 569 1 4 . 1 1 3 3 SER CB C 3 63.931 63.931 63.722 0.209 19764 570 1 4 . 1 1 3 3 SER H H 3 7.993 7.993 8.520 -0.527 19764 571 1 4 . 1 1 4 4 ALA N N 4 125.695 125.695 126.882 -1.187 19764 572 1 4 . 1 1 4 4 ALA HA H 4 4.475 4.475 4.344 0.131 19764 573 1 4 . 1 1 4 4 ALA CA C 4 54.340 54.340 55.185 -0.845 19764 574 1 4 . 1 1 4 4 ALA CB C 4 16.965 16.965 16.703 0.262 19764 575 1 4 . 1 1 4 4 ALA H H 4 8.476 8.476 8.300 0.176 19764 576 1 4 . 1 1 5 5 PRO HA H 5 4.273 4.273 4.390 -0.117 19764 577 1 4 . 1 1 5 5 PRO C C 5 177.273 177.273 178.410 -1.137 19764 578 1 4 . 1 1 5 5 PRO CA C 5 65.399 65.399 65.137 0.262 19764 579 1 4 . 1 1 5 5 PRO CB C 5 30.875 30.875 31.498 -0.623 19764 580 1 4 . 1 1 6 6 PHE N N 6 116.345 116.345 118.526 -2.181 19764 581 1 4 . 1 1 6 6 PHE HA H 6 4.255 4.255 4.393 -0.138 19764 582 1 4 . 1 1 6 6 PHE C C 6 177.011 177.011 177.286 -0.275 19764 583 1 4 . 1 1 6 6 PHE CA C 6 61.203 61.203 60.395 0.808 19764 584 1 4 . 1 1 6 6 PHE CB C 6 38.703 38.703 38.984 -0.281 19764 585 1 4 . 1 1 6 6 PHE H H 6 7.769 7.769 8.228 -0.459 19764 586 1 4 . 1 1 7 7 GLU N N 7 118.531 118.531 119.748 -1.217 19764 587 1 4 . 1 1 7 7 GLU HA H 7 3.972 3.972 4.103 -0.131 19764 588 1 4 . 1 1 7 7 GLU C C 7 177.743 177.743 179.254 -1.511 19764 589 1 4 . 1 1 7 7 GLU CA C 7 59.818 59.818 59.459 0.359 19764 590 1 4 . 1 1 7 7 GLU CB C 7 28.080 28.080 29.428 -1.348 19764 591 1 4 . 1 1 7 7 GLU H H 7 8.334 8.334 7.886 0.448 19764 592 1 4 . 1 1 8 8 LEU N N 8 119.001 119.001 120.108 -1.107 19764 593 1 4 . 1 1 8 8 LEU HA H 8 4.112 4.112 4.132 -0.020 19764 594 1 4 . 1 1 8 8 LEU C C 8 177.995 177.995 178.561 -0.566 19764 595 1 4 . 1 1 8 8 LEU CA C 8 58.093 58.093 57.760 0.333 19764 596 1 4 . 1 1 8 8 LEU CB C 8 41.424 41.424 41.774 -0.350 19764 597 1 4 . 1 1 8 8 LEU H H 8 8.254 8.254 7.663 0.591 19764 598 1 4 . 1 1 9 9 PHE N N 9 118.536 118.536 119.190 -0.654 19764 599 1 4 . 1 1 9 9 PHE HA H 9 4.071 4.071 4.006 0.065 19764 600 1 4 . 1 1 9 9 PHE C C 9 177.219 177.219 177.226 -0.007 19764 601 1 4 . 1 1 9 9 PHE CA C 9 61.496 61.496 61.560 -0.064 19764 602 1 4 . 1 1 9 9 PHE CB C 9 38.768 38.768 38.602 0.166 19764 603 1 4 . 1 1 9 9 PHE H H 9 8.148 8.148 7.792 0.356 19764 604 1 4 . 1 1 10 10 PHE N N 10 119.124 119.124 118.935 0.189 19764 605 1 4 . 1 1 10 10 PHE HA H 10 4.067 4.067 4.119 -0.052 19764 606 1 4 . 1 1 10 10 PHE CA C 10 61.545 61.545 61.100 0.445 19764 607 1 4 . 1 1 10 10 PHE CB C 10 38.850 38.850 39.007 -0.157 19764 608 1 4 . 1 1 10 10 PHE H H 10 8.572 8.572 7.779 0.793 19764 609 1 4 . 1 1 11 11 MET N N 11 120.911 120.911 118.411 2.500 19764 610 1 4 . 1 1 11 11 MET HA H 11 4.019 4.019 4.089 -0.070 19764 611 1 4 . 1 1 11 11 MET C C 11 178.246 178.246 177.570 0.676 19764 612 1 4 . 1 1 11 11 MET CA C 11 59.255 59.255 59.055 0.200 19764 613 1 4 . 1 1 11 11 MET CB C 11 32.680 32.680 32.522 0.158 19764 614 1 4 . 1 1 11 11 MET H H 11 8.555 8.555 7.368 1.187 19764 615 1 4 . 1 1 12 12 ILE N N 12 120.842 120.842 118.777 2.065 19764 616 1 4 . 1 1 12 12 ILE HA H 12 3.560 3.560 3.669 -0.109 19764 617 1 4 . 1 1 12 12 ILE C C 12 176.760 176.760 177.006 -0.246 19764 618 1 4 . 1 1 12 12 ILE CA C 12 65.194 65.194 64.648 0.546 19764 619 1 4 . 1 1 12 12 ILE CB C 12 37.587 37.587 38.050 -0.463 19764 620 1 4 . 1 1 12 12 ILE H H 12 8.536 8.536 7.983 0.553 19764 621 1 4 . 1 1 13 13 ASN N N 13 117.647 117.647 118.240 -0.593 19764 622 1 4 . 1 1 13 13 ASN HA H 13 4.144 4.144 4.090 0.054 19764 623 1 4 . 1 1 13 13 ASN C C 13 176.858 176.858 177.430 -0.572 19764 624 1 4 . 1 1 13 13 ASN CA C 13 57.064 57.064 56.631 0.433 19764 625 1 4 . 1 1 13 13 ASN CB C 13 38.939 38.939 38.151 0.788 19764 626 1 4 . 1 1 13 13 ASN H H 13 8.097 8.097 7.879 0.218 19764 627 1 4 . 1 1 14 14 THR N N 14 114.513 114.513 113.992 0.521 19764 628 1 4 . 1 1 14 14 THR HA H 14 3.651 3.651 3.771 -0.120 19764 629 1 4 . 1 1 14 14 THR C C 14 175.252 175.252 176.491 -1.239 19764 630 1 4 . 1 1 14 14 THR CA C 14 67.551 67.551 65.552 1.999 19764 631 1 4 . 1 1 14 14 THR CB C 14 67.810 67.810 68.458 -0.648 19764 632 1 4 . 1 1 14 14 THR H H 14 8.018 8.018 7.394 0.624 19764 633 1 4 . 1 1 15 15 SER N N 15 117.295 117.295 117.351 -0.056 19764 634 1 4 . 1 1 15 15 SER HA H 15 3.986 3.986 4.222 -0.236 19764 635 1 4 . 1 1 15 15 SER C C 15 174.782 174.782 176.120 -1.338 19764 636 1 4 . 1 1 15 15 SER CA C 15 63.103 63.103 62.020 1.083 19764 637 1 4 . 1 1 15 15 SER CB C 15 62.684 62.684 62.888 -0.204 19764 638 1 4 . 1 1 15 15 SER H H 15 7.733 7.733 7.272 0.461 19764 639 1 4 . 1 1 16 16 ILE N N 16 120.420 120.420 121.793 -1.373 19764 640 1 4 . 1 1 16 16 ILE HA H 16 3.508 3.508 3.633 -0.125 19764 641 1 4 . 1 1 16 16 ILE C C 16 176.694 176.694 177.959 -1.265 19764 642 1 4 . 1 1 16 16 ILE CA C 16 64.887 64.887 65.072 -0.185 19764 643 1 4 . 1 1 16 16 ILE CB C 16 37.036 37.036 37.688 -0.652 19764 644 1 4 . 1 1 16 16 ILE H H 16 7.747 7.747 7.833 -0.086 19764 645 1 4 . 1 1 17 17 LEU N N 17 119.529 119.529 120.100 -0.571 19764 646 1 4 . 1 1 17 17 LEU HA H 17 4.007 4.007 4.038 -0.031 19764 647 1 4 . 1 1 17 17 LEU C C 17 178.060 178.060 178.446 -0.386 19764 648 1 4 . 1 1 17 17 LEU CA C 17 58.262 58.262 57.784 0.478 19764 649 1 4 . 1 1 17 17 LEU CB C 17 41.525 41.525 42.215 -0.690 19764 650 1 4 . 1 1 17 17 LEU H H 17 7.677 7.677 7.580 0.097 19764 651 1 4 . 1 1 18 18 LEU N N 18 117.308 117.308 120.096 -2.788 19764 652 1 4 . 1 1 18 18 LEU HA H 18 3.929 3.929 3.280 0.649 19764 653 1 4 . 1 1 18 18 LEU C C 18 178.016 178.016 178.965 -0.949 19764 654 1 4 . 1 1 18 18 LEU CA C 18 58.168 58.168 57.873 0.295 19764 655 1 4 . 1 1 18 18 LEU CB C 18 41.416 41.416 41.468 -0.052 19764 656 1 4 . 1 1 18 18 LEU H H 18 8.087 8.087 8.074 0.013 19764 657 1 4 . 1 1 19 19 ILE N N 19 118.636 118.636 119.358 -0.722 19764 658 1 4 . 1 1 19 19 ILE HA H 19 3.626 3.626 3.640 -0.014 19764 659 1 4 . 1 1 19 19 ILE C C 19 177.131 177.131 177.378 -0.247 19764 660 1 4 . 1 1 19 19 ILE CA C 19 65.504 65.504 65.984 -0.480 19764 661 1 4 . 1 1 19 19 ILE CB C 19 37.242 37.242 37.958 -0.716 19764 662 1 4 . 1 1 19 19 ILE H H 19 8.108 8.108 8.540 -0.432 19764 663 1 4 . 1 1 20 20 PHE N N 20 119.349 119.349 119.539 -0.190 19764 664 1 4 . 1 1 20 20 PHE HA H 20 4.204 4.204 4.202 0.002 19764 665 1 4 . 1 1 20 20 PHE C C 20 176.771 176.771 177.641 -0.870 19764 666 1 4 . 1 1 20 20 PHE CA C 20 61.540 61.540 60.827 0.713 19764 667 1 4 . 1 1 20 20 PHE CB C 20 38.503 38.503 39.122 -0.619 19764 668 1 4 . 1 1 20 20 PHE H H 20 8.448 8.448 7.461 0.987 19764 669 1 4 . 1 1 21 21 ILE N N 21 118.342 118.342 120.413 -2.071 19764 670 1 4 . 1 1 21 21 ILE HA H 21 3.428 3.428 3.398 0.030 19764 671 1 4 . 1 1 21 21 ILE C C 21 176.989 176.989 177.594 -0.605 19764 672 1 4 . 1 1 21 21 ILE CA C 21 65.547 65.547 65.570 -0.023 19764 673 1 4 . 1 1 21 21 ILE CB C 21 37.354 37.354 37.704 -0.350 19764 674 1 4 . 1 1 21 21 ILE H H 21 8.485 8.485 8.440 0.045 19764 675 1 4 . 1 1 22 22 PHE N N 22 119.166 119.166 119.150 0.016 19764 676 1 4 . 1 1 22 22 PHE HA H 22 4.207 4.207 4.284 -0.077 19764 677 1 4 . 1 1 22 22 PHE C C 22 176.880 176.880 177.835 -0.955 19764 678 1 4 . 1 1 22 22 PHE CA C 22 61.174 61.174 60.645 0.529 19764 679 1 4 . 1 1 22 22 PHE CB C 22 38.432 38.432 38.128 0.304 19764 680 1 4 . 1 1 22 22 PHE H H 22 8.576 8.576 8.009 0.567 19764 681 1 4 . 1 1 23 23 ILE N N 23 118.582 118.582 119.454 -0.872 19764 682 1 4 . 1 1 23 23 ILE HA H 23 3.552 3.552 3.666 -0.114 19764 683 1 4 . 1 1 23 23 ILE C C 23 177.284 177.284 177.839 -0.555 19764 684 1 4 . 1 1 23 23 ILE CA C 23 65.453 65.453 66.084 -0.631 19764 685 1 4 . 1 1 23 23 ILE CB C 23 37.112 37.112 37.617 -0.505 19764 686 1 4 . 1 1 23 23 ILE H H 23 8.508 8.508 8.634 -0.126 19764 687 1 4 . 1 1 24 24 VAL N N 24 119.194 119.194 118.687 0.507 19764 688 1 4 . 1 1 24 24 VAL HA H 24 3.446 3.446 3.486 -0.040 19764 689 1 4 . 1 1 24 24 VAL C C 24 178.060 178.060 177.418 0.642 19764 690 1 4 . 1 1 24 24 VAL CA C 24 67.298 67.298 66.202 1.096 19764 691 1 4 . 1 1 24 24 VAL CB C 24 30.785 30.785 31.219 -0.434 19764 692 1 4 . 1 1 24 24 VAL H H 24 8.212 8.212 7.220 0.992 19764 693 1 4 . 1 1 25 25 LEU N N 25 119.253 119.253 119.808 -0.555 19764 694 1 4 . 1 1 25 25 LEU HA H 25 3.956 3.956 3.926 0.030 19764 695 1 4 . 1 1 25 25 LEU C C 25 178.574 178.574 179.693 -1.119 19764 696 1 4 . 1 1 25 25 LEU CA C 25 58.254 58.254 57.747 0.507 19764 697 1 4 . 1 1 25 25 LEU CB C 25 41.536 41.536 41.554 -0.018 19764 698 1 4 . 1 1 25 25 LEU H H 25 8.442 8.442 7.421 1.021 19764 699 1 4 . 1 1 26 26 LEU N N 26 121.151 121.151 120.365 0.786 19764 700 1 4 . 1 1 26 26 LEU HA H 26 3.915 3.915 4.094 -0.179 19764 701 1 4 . 1 1 26 26 LEU C C 26 178.770 178.770 178.644 0.126 19764 702 1 4 . 1 1 26 26 LEU CA C 26 58.658 58.658 58.376 0.282 19764 703 1 4 . 1 1 26 26 LEU CB C 26 41.590 41.590 41.691 -0.101 19764 704 1 4 . 1 1 26 26 LEU H H 26 8.639 8.639 8.528 0.111 19764 705 1 4 . 1 1 27 27 ILE N N 27 118.583 118.583 118.414 0.169 19764 706 1 4 . 1 1 27 27 ILE HA H 27 3.551 3.551 3.567 -0.016 19764 707 1 4 . 1 1 27 27 ILE C C 27 178.333 178.333 177.560 0.773 19764 708 1 4 . 1 1 27 27 ILE CA C 27 65.199 65.199 65.305 -0.106 19764 709 1 4 . 1 1 27 27 ILE CB C 27 37.564 37.564 37.483 0.081 19764 710 1 4 . 1 1 27 27 ILE H H 27 8.475 8.475 7.454 1.021 19764 711 1 4 . 1 1 28 28 HIS N N 28 117.341 117.341 118.830 -1.489 19764 712 1 4 . 1 1 28 28 HIS HA H 28 4.353 4.353 4.301 0.052 19764 713 1 4 . 1 1 28 28 HIS C C 28 176.498 176.498 177.685 -1.187 19764 714 1 4 . 1 1 28 28 HIS CA C 28 59.110 59.110 59.969 -0.859 19764 715 1 4 . 1 1 28 28 HIS CB C 28 28.024 28.024 29.864 -1.840 19764 716 1 4 . 1 1 28 28 HIS H H 28 8.415 8.415 7.804 0.611 19764 717 1 4 . 1 1 29 29 PHE N N 29 115.694 115.694 117.464 -1.770 19764 718 1 4 . 1 1 29 29 PHE HA H 29 4.337 4.337 4.646 -0.309 19764 719 1 4 . 1 1 29 29 PHE C C 29 176.924 176.924 177.297 -0.373 19764 720 1 4 . 1 1 29 29 PHE CA C 29 60.735 60.735 59.385 1.350 19764 721 1 4 . 1 1 29 29 PHE CB C 29 39.449 39.449 39.410 0.039 19764 722 1 4 . 1 1 29 29 PHE H H 29 8.727 8.727 8.030 0.697 19764 723 1 4 . 1 1 30 30 GLU N N 30 115.099 115.099 118.747 -3.648 19764 724 1 4 . 1 1 30 30 GLU HA H 30 4.336 4.336 4.312 0.024 19764 725 1 4 . 1 1 30 30 GLU C C 30 176.563 176.563 177.340 -0.777 19764 726 1 4 . 1 1 30 30 GLU CA C 30 55.482 55.482 57.101 -1.619 19764 727 1 4 . 1 1 30 30 GLU CB C 30 28.002 28.002 30.010 -2.008 19764 728 1 4 . 1 1 30 30 GLU H H 30 8.319 8.319 8.084 0.235 19764 729 1 4 . 1 1 31 31 GLY N N 31 107.479 107.479 105.140 2.339 19764 730 1 4 . 1 1 31 31 GLY C C 31 173.766 173.766 173.853 -0.087 19764 731 1 4 . 1 1 31 31 GLY CA C 31 45.982 45.982 44.926 1.056 19764 732 1 4 . 1 1 31 31 GLY H H 31 7.850 7.850 7.811 0.039 19764 733 1 4 . 1 1 32 32 TRP N N 32 118.981 118.981 120.957 -1.976 19764 734 1 4 . 1 1 32 32 TRP HA H 32 4.645 4.645 4.672 -0.027 19764 735 1 4 . 1 1 32 32 TRP C C 32 175.350 175.350 174.668 0.682 19764 736 1 4 . 1 1 32 32 TRP CA C 32 56.455 56.455 57.047 -0.592 19764 737 1 4 . 1 1 32 32 TRP CB C 32 29.033 29.033 30.588 -1.555 19764 738 1 4 . 1 1 32 32 TRP H H 32 7.530 7.530 7.548 -0.018 19764 739 1 4 . 1 1 33 33 ARG N N 33 121.186 121.186 120.623 0.563 19764 740 1 4 . 1 1 33 33 ARG HA H 33 4.273 4.273 4.385 -0.112 19764 741 1 4 . 1 1 33 33 ARG C C 33 174.990 174.990 175.094 -0.104 19764 742 1 4 . 1 1 33 33 ARG CA C 33 55.581 55.581 55.314 0.267 19764 743 1 4 . 1 1 33 33 ARG CB C 33 30.661 30.661 29.763 0.898 19764 744 1 4 . 1 1 33 33 ARG H H 33 7.926 7.926 7.949 -0.023 19764 745 1 5 . 1 1 2 2 ASP N N 2 118.854 118.854 121.295 -2.441 19764 746 1 5 . 1 1 2 2 ASP HA H 2 4.701 4.701 4.828 -0.127 19764 747 1 5 . 1 1 2 2 ASP C C 2 175.219 175.219 175.637 -0.418 19764 748 1 5 . 1 1 2 2 ASP CA C 2 53.518 53.518 54.403 -0.885 19764 749 1 5 . 1 1 2 2 ASP CB C 2 39.533 39.533 42.436 -2.903 19764 750 1 5 . 1 1 2 2 ASP H H 2 8.445 8.445 7.885 0.560 19764 751 1 5 . 1 1 3 3 SER N N 3 114.607 114.607 118.102 -3.495 19764 752 1 5 . 1 1 3 3 SER HA H 3 4.513 4.513 4.810 -0.297 19764 753 1 5 . 1 1 3 3 SER C C 3 174.542 174.542 175.169 -0.627 19764 754 1 5 . 1 1 3 3 SER CA C 3 58.447 58.447 57.908 0.538 19764 755 1 5 . 1 1 3 3 SER CB C 3 63.931 63.931 63.645 0.286 19764 756 1 5 . 1 1 3 3 SER H H 3 7.993 7.993 8.543 -0.550 19764 757 1 5 . 1 1 4 4 ALA N N 4 125.695 125.695 126.309 -0.614 19764 758 1 5 . 1 1 4 4 ALA HA H 4 4.475 4.475 4.364 0.111 19764 759 1 5 . 1 1 4 4 ALA CA C 4 54.340 54.340 55.296 -0.956 19764 760 1 5 . 1 1 4 4 ALA CB C 4 16.965 16.965 16.724 0.240 19764 761 1 5 . 1 1 4 4 ALA H H 4 8.476 8.476 8.326 0.150 19764 762 1 5 . 1 1 5 5 PRO HA H 5 4.273 4.273 4.314 -0.041 19764 763 1 5 . 1 1 5 5 PRO C C 5 177.273 177.273 178.464 -1.191 19764 764 1 5 . 1 1 5 5 PRO CA C 5 65.399 65.399 65.144 0.255 19764 765 1 5 . 1 1 5 5 PRO CB C 5 30.875 30.875 31.374 -0.499 19764 766 1 5 . 1 1 6 6 PHE N N 6 116.345 116.345 117.788 -1.443 19764 767 1 5 . 1 1 6 6 PHE HA H 6 4.255 4.255 4.353 -0.098 19764 768 1 5 . 1 1 6 6 PHE C C 6 177.011 177.011 177.602 -0.591 19764 769 1 5 . 1 1 6 6 PHE CA C 6 61.203 61.203 61.294 -0.091 19764 770 1 5 . 1 1 6 6 PHE CB C 6 38.703 38.703 38.803 -0.100 19764 771 1 5 . 1 1 6 6 PHE H H 6 7.769 7.769 8.183 -0.414 19764 772 1 5 . 1 1 7 7 GLU N N 7 118.531 118.531 119.962 -1.431 19764 773 1 5 . 1 1 7 7 GLU HA H 7 3.972 3.972 4.157 -0.185 19764 774 1 5 . 1 1 7 7 GLU C C 7 177.743 177.743 179.499 -1.756 19764 775 1 5 . 1 1 7 7 GLU CA C 7 59.818 59.818 59.713 0.105 19764 776 1 5 . 1 1 7 7 GLU CB C 7 28.080 28.080 29.696 -1.616 19764 777 1 5 . 1 1 7 7 GLU H H 7 8.334 8.334 7.769 0.565 19764 778 1 5 . 1 1 8 8 LEU N N 8 119.001 119.001 120.149 -1.148 19764 779 1 5 . 1 1 8 8 LEU HA H 8 4.112 4.112 4.105 0.007 19764 780 1 5 . 1 1 8 8 LEU C C 8 177.995 177.995 178.955 -0.960 19764 781 1 5 . 1 1 8 8 LEU CA C 8 58.093 58.093 58.116 -0.023 19764 782 1 5 . 1 1 8 8 LEU CB C 8 41.424 41.424 40.850 0.574 19764 783 1 5 . 1 1 8 8 LEU H H 8 8.254 8.254 7.639 0.615 19764 784 1 5 . 1 1 9 9 PHE N N 9 118.536 118.536 119.607 -1.071 19764 785 1 5 . 1 1 9 9 PHE HA H 9 4.071 4.071 4.115 -0.044 19764 786 1 5 . 1 1 9 9 PHE C C 9 177.219 177.219 177.754 -0.535 19764 787 1 5 . 1 1 9 9 PHE CA C 9 61.496 61.496 61.808 -0.312 19764 788 1 5 . 1 1 9 9 PHE CB C 9 38.768 38.768 38.780 -0.012 19764 789 1 5 . 1 1 9 9 PHE H H 9 8.148 8.148 7.544 0.604 19764 790 1 5 . 1 1 10 10 PHE N N 10 119.124 119.124 118.872 0.252 19764 791 1 5 . 1 1 10 10 PHE HA H 10 4.067 4.067 4.278 -0.211 19764 792 1 5 . 1 1 10 10 PHE CA C 10 61.545 61.545 60.769 0.776 19764 793 1 5 . 1 1 10 10 PHE CB C 10 38.850 38.850 39.112 -0.262 19764 794 1 5 . 1 1 10 10 PHE H H 10 8.572 8.572 8.160 0.412 19764 795 1 5 . 1 1 11 11 MET N N 11 120.911 120.911 118.806 2.105 19764 796 1 5 . 1 1 11 11 MET HA H 11 4.019 4.019 4.155 -0.136 19764 797 1 5 . 1 1 11 11 MET C C 11 178.246 178.246 177.809 0.437 19764 798 1 5 . 1 1 11 11 MET CA C 11 59.255 59.255 58.268 0.987 19764 799 1 5 . 1 1 11 11 MET CB C 11 32.680 32.680 32.063 0.617 19764 800 1 5 . 1 1 11 11 MET H H 11 8.555 8.555 7.434 1.121 19764 801 1 5 . 1 1 12 12 ILE N N 12 120.842 120.842 119.313 1.529 19764 802 1 5 . 1 1 12 12 ILE HA H 12 3.560 3.560 3.550 0.010 19764 803 1 5 . 1 1 12 12 ILE C C 12 176.760 176.760 177.188 -0.428 19764 804 1 5 . 1 1 12 12 ILE CA C 12 65.194 65.194 65.228 -0.034 19764 805 1 5 . 1 1 12 12 ILE CB C 12 37.587 37.587 37.705 -0.118 19764 806 1 5 . 1 1 12 12 ILE H H 12 8.536 8.536 8.261 0.275 19764 807 1 5 . 1 1 13 13 ASN N N 13 117.647 117.647 117.820 -0.173 19764 808 1 5 . 1 1 13 13 ASN HA H 13 4.144 4.144 4.152 -0.008 19764 809 1 5 . 1 1 13 13 ASN C C 13 176.858 176.858 177.477 -0.619 19764 810 1 5 . 1 1 13 13 ASN CA C 13 57.064 57.064 56.525 0.539 19764 811 1 5 . 1 1 13 13 ASN CB C 13 38.939 38.939 38.111 0.828 19764 812 1 5 . 1 1 13 13 ASN H H 13 8.097 8.097 7.618 0.479 19764 813 1 5 . 1 1 14 14 THR N N 14 114.513 114.513 113.783 0.730 19764 814 1 5 . 1 1 14 14 THR HA H 14 3.651 3.651 3.873 -0.222 19764 815 1 5 . 1 1 14 14 THR C C 14 175.252 175.252 176.517 -1.265 19764 816 1 5 . 1 1 14 14 THR CA C 14 67.551 67.551 64.981 2.570 19764 817 1 5 . 1 1 14 14 THR CB C 14 67.810 67.810 68.201 -0.391 19764 818 1 5 . 1 1 14 14 THR H H 14 8.018 8.018 7.329 0.689 19764 819 1 5 . 1 1 15 15 SER N N 15 117.295 117.295 117.782 -0.487 19764 820 1 5 . 1 1 15 15 SER HA H 15 3.986 3.986 4.227 -0.241 19764 821 1 5 . 1 1 15 15 SER C C 15 174.782 174.782 176.308 -1.526 19764 822 1 5 . 1 1 15 15 SER CA C 15 63.103 63.103 61.973 1.130 19764 823 1 5 . 1 1 15 15 SER CB C 15 62.684 62.684 62.847 -0.163 19764 824 1 5 . 1 1 15 15 SER H H 15 7.733 7.733 7.203 0.530 19764 825 1 5 . 1 1 16 16 ILE N N 16 120.420 120.420 121.792 -1.372 19764 826 1 5 . 1 1 16 16 ILE HA H 16 3.508 3.508 3.660 -0.152 19764 827 1 5 . 1 1 16 16 ILE C C 16 176.694 176.694 177.889 -1.195 19764 828 1 5 . 1 1 16 16 ILE CA C 16 64.887 64.887 64.987 -0.100 19764 829 1 5 . 1 1 16 16 ILE CB C 16 37.036 37.036 37.672 -0.636 19764 830 1 5 . 1 1 16 16 ILE H H 16 7.747 7.747 7.814 -0.067 19764 831 1 5 . 1 1 17 17 LEU N N 17 119.529 119.529 120.268 -0.739 19764 832 1 5 . 1 1 17 17 LEU HA H 17 4.007 4.007 4.036 -0.029 19764 833 1 5 . 1 1 17 17 LEU C C 17 178.060 178.060 178.385 -0.325 19764 834 1 5 . 1 1 17 17 LEU CA C 17 58.262 58.262 57.798 0.464 19764 835 1 5 . 1 1 17 17 LEU CB C 17 41.525 41.525 42.193 -0.667 19764 836 1 5 . 1 1 17 17 LEU H H 17 7.677 7.677 7.413 0.264 19764 837 1 5 . 1 1 18 18 LEU N N 18 117.308 117.308 119.947 -2.639 19764 838 1 5 . 1 1 18 18 LEU HA H 18 3.929 3.929 3.277 0.652 19764 839 1 5 . 1 1 18 18 LEU C C 18 178.016 178.016 178.927 -0.911 19764 840 1 5 . 1 1 18 18 LEU CA C 18 58.168 58.168 57.864 0.305 19764 841 1 5 . 1 1 18 18 LEU CB C 18 41.416 41.416 41.488 -0.072 19764 842 1 5 . 1 1 18 18 LEU H H 18 8.087 8.087 8.042 0.045 19764 843 1 5 . 1 1 19 19 ILE N N 19 118.636 118.636 119.457 -0.821 19764 844 1 5 . 1 1 19 19 ILE HA H 19 3.626 3.626 3.650 -0.024 19764 845 1 5 . 1 1 19 19 ILE C C 19 177.131 177.131 177.696 -0.565 19764 846 1 5 . 1 1 19 19 ILE CA C 19 65.504 65.504 65.663 -0.159 19764 847 1 5 . 1 1 19 19 ILE CB C 19 37.242 37.242 37.917 -0.675 19764 848 1 5 . 1 1 19 19 ILE H H 19 8.108 8.108 8.348 -0.240 19764 849 1 5 . 1 1 20 20 PHE N N 20 119.349 119.349 119.625 -0.276 19764 850 1 5 . 1 1 20 20 PHE HA H 20 4.204 4.204 4.167 0.037 19764 851 1 5 . 1 1 20 20 PHE C C 20 176.771 176.771 177.660 -0.889 19764 852 1 5 . 1 1 20 20 PHE CA C 20 61.540 61.540 60.810 0.730 19764 853 1 5 . 1 1 20 20 PHE CB C 20 38.503 38.503 38.972 -0.469 19764 854 1 5 . 1 1 20 20 PHE H H 20 8.448 8.448 7.475 0.973 19764 855 1 5 . 1 1 21 21 ILE N N 21 118.342 118.342 120.529 -2.187 19764 856 1 5 . 1 1 21 21 ILE HA H 21 3.428 3.428 3.444 -0.016 19764 857 1 5 . 1 1 21 21 ILE C C 21 176.989 176.989 177.676 -0.687 19764 858 1 5 . 1 1 21 21 ILE CA C 21 65.547 65.547 65.624 -0.077 19764 859 1 5 . 1 1 21 21 ILE CB C 21 37.354 37.354 37.763 -0.409 19764 860 1 5 . 1 1 21 21 ILE H H 21 8.485 8.485 8.415 0.070 19764 861 1 5 . 1 1 22 22 PHE N N 22 119.166 119.166 118.357 0.809 19764 862 1 5 . 1 1 22 22 PHE HA H 22 4.207 4.207 4.358 -0.151 19764 863 1 5 . 1 1 22 22 PHE C C 22 176.880 176.880 178.025 -1.145 19764 864 1 5 . 1 1 22 22 PHE CA C 22 61.174 61.174 59.821 1.353 19764 865 1 5 . 1 1 22 22 PHE CB C 22 38.432 38.432 38.337 0.095 19764 866 1 5 . 1 1 22 22 PHE H H 22 8.576 8.576 7.928 0.648 19764 867 1 5 . 1 1 23 23 ILE N N 23 118.582 118.582 119.851 -1.269 19764 868 1 5 . 1 1 23 23 ILE HA H 23 3.552 3.552 3.900 -0.348 19764 869 1 5 . 1 1 23 23 ILE C C 23 177.284 177.284 177.335 -0.051 19764 870 1 5 . 1 1 23 23 ILE CA C 23 65.453 65.453 64.953 0.500 19764 871 1 5 . 1 1 23 23 ILE CB C 23 37.112 37.112 38.269 -1.157 19764 872 1 5 . 1 1 23 23 ILE H H 23 8.508 8.508 8.469 0.039 19764 873 1 5 . 1 1 24 24 VAL N N 24 119.194 119.194 119.508 -0.314 19764 874 1 5 . 1 1 24 24 VAL HA H 24 3.446 3.446 3.532 -0.086 19764 875 1 5 . 1 1 24 24 VAL C C 24 178.060 178.060 177.398 0.662 19764 876 1 5 . 1 1 24 24 VAL CA C 24 67.298 67.298 65.814 1.484 19764 877 1 5 . 1 1 24 24 VAL CB C 24 30.785 30.785 31.108 -0.323 19764 878 1 5 . 1 1 24 24 VAL H H 24 8.212 8.212 7.530 0.682 19764 879 1 5 . 1 1 25 25 LEU N N 25 119.253 119.253 120.165 -0.912 19764 880 1 5 . 1 1 25 25 LEU HA H 25 3.956 3.956 4.039 -0.083 19764 881 1 5 . 1 1 25 25 LEU C C 25 178.574 178.574 179.275 -0.701 19764 882 1 5 . 1 1 25 25 LEU CA C 25 58.254 58.254 57.615 0.638 19764 883 1 5 . 1 1 25 25 LEU CB C 25 41.536 41.536 41.604 -0.068 19764 884 1 5 . 1 1 25 25 LEU H H 25 8.442 8.442 7.604 0.838 19764 885 1 5 . 1 1 26 26 LEU N N 26 121.151 121.151 120.128 1.023 19764 886 1 5 . 1 1 26 26 LEU HA H 26 3.915 3.915 4.075 -0.160 19764 887 1 5 . 1 1 26 26 LEU C C 26 178.770 178.770 179.142 -0.372 19764 888 1 5 . 1 1 26 26 LEU CA C 26 58.658 58.658 58.684 -0.026 19764 889 1 5 . 1 1 26 26 LEU CB C 26 41.590 41.590 41.397 0.193 19764 890 1 5 . 1 1 26 26 LEU H H 26 8.639 8.639 7.469 1.170 19764 891 1 5 . 1 1 27 27 ILE N N 27 118.583 118.583 118.046 0.537 19764 892 1 5 . 1 1 27 27 ILE HA H 27 3.551 3.551 3.532 0.019 19764 893 1 5 . 1 1 27 27 ILE C C 27 178.333 178.333 177.782 0.551 19764 894 1 5 . 1 1 27 27 ILE CA C 27 65.199 65.199 65.142 0.057 19764 895 1 5 . 1 1 27 27 ILE CB C 27 37.564 37.564 37.610 -0.046 19764 896 1 5 . 1 1 27 27 ILE H H 27 8.475 8.475 7.245 1.230 19764 897 1 5 . 1 1 28 28 HIS N N 28 117.341 117.341 119.022 -1.681 19764 898 1 5 . 1 1 28 28 HIS HA H 28 4.353 4.353 4.234 0.119 19764 899 1 5 . 1 1 28 28 HIS C C 28 176.498 176.498 177.581 -1.083 19764 900 1 5 . 1 1 28 28 HIS CA C 28 59.110 59.110 59.660 -0.550 19764 901 1 5 . 1 1 28 28 HIS CB C 28 28.024 28.024 29.584 -1.560 19764 902 1 5 . 1 1 28 28 HIS H H 28 8.415 8.415 7.721 0.694 19764 903 1 5 . 1 1 29 29 PHE N N 29 115.694 115.694 116.741 -1.047 19764 904 1 5 . 1 1 29 29 PHE HA H 29 4.337 4.337 4.474 -0.137 19764 905 1 5 . 1 1 29 29 PHE C C 29 176.924 176.924 177.120 -0.196 19764 906 1 5 . 1 1 29 29 PHE CA C 29 60.735 60.735 59.291 1.444 19764 907 1 5 . 1 1 29 29 PHE CB C 29 39.449 39.449 39.415 0.034 19764 908 1 5 . 1 1 29 29 PHE H H 29 8.727 8.727 7.808 0.919 19764 909 1 5 . 1 1 30 30 GLU N N 30 115.099 115.099 118.791 -3.692 19764 910 1 5 . 1 1 30 30 GLU HA H 30 4.336 4.336 4.306 0.030 19764 911 1 5 . 1 1 30 30 GLU C C 30 176.563 176.563 177.404 -0.841 19764 912 1 5 . 1 1 30 30 GLU CA C 30 55.482 55.482 57.300 -1.818 19764 913 1 5 . 1 1 30 30 GLU CB C 30 28.002 28.002 30.076 -2.074 19764 914 1 5 . 1 1 30 30 GLU H H 30 8.319 8.319 8.077 0.242 19764 915 1 5 . 1 1 31 31 GLY N N 31 107.479 107.479 105.093 2.386 19764 916 1 5 . 1 1 31 31 GLY C C 31 173.766 173.766 173.899 -0.133 19764 917 1 5 . 1 1 31 31 GLY CA C 31 45.982 45.982 44.962 1.020 19764 918 1 5 . 1 1 31 31 GLY H H 31 7.850 7.850 7.848 0.002 19764 919 1 5 . 1 1 32 32 TRP N N 32 118.981 118.981 120.726 -1.745 19764 920 1 5 . 1 1 32 32 TRP HA H 32 4.645 4.645 4.710 -0.064 19764 921 1 5 . 1 1 32 32 TRP C C 32 175.350 175.350 175.333 0.017 19764 922 1 5 . 1 1 32 32 TRP CA C 32 56.455 56.455 56.756 -0.301 19764 923 1 5 . 1 1 32 32 TRP CB C 32 29.033 29.033 31.079 -2.046 19764 924 1 5 . 1 1 32 32 TRP H H 32 7.530 7.530 7.612 -0.082 19764 925 1 5 . 1 1 33 33 ARG N N 33 121.186 121.186 119.517 1.669 19764 926 1 5 . 1 1 33 33 ARG HA H 33 4.273 4.273 4.449 -0.176 19764 927 1 5 . 1 1 33 33 ARG C C 33 174.990 174.990 175.167 -0.177 19764 928 1 5 . 1 1 33 33 ARG CA C 33 55.581 55.581 55.621 -0.040 19764 929 1 5 . 1 1 33 33 ARG CB C 33 30.661 30.661 29.409 1.252 19764 930 1 5 . 1 1 33 33 ARG H H 33 7.926 7.926 8.106 -0.180 19764 931 1 6 . 1 1 2 2 ASP N N 2 118.854 118.854 121.640 -2.786 19764 932 1 6 . 1 1 2 2 ASP HA H 2 4.701 4.701 4.838 -0.137 19764 933 1 6 . 1 1 2 2 ASP C C 2 175.219 175.219 175.664 -0.445 19764 934 1 6 . 1 1 2 2 ASP CA C 2 53.518 53.518 54.395 -0.877 19764 935 1 6 . 1 1 2 2 ASP CB C 2 39.533 39.533 42.195 -2.662 19764 936 1 6 . 1 1 2 2 ASP H H 2 8.445 8.445 7.915 0.530 19764 937 1 6 . 1 1 3 3 SER N N 3 114.607 114.607 118.101 -3.494 19764 938 1 6 . 1 1 3 3 SER HA H 3 4.513 4.513 4.854 -0.341 19764 939 1 6 . 1 1 3 3 SER C C 3 174.542 174.542 175.370 -0.828 19764 940 1 6 . 1 1 3 3 SER CA C 3 58.447 58.447 58.215 0.232 19764 941 1 6 . 1 1 3 3 SER CB C 3 63.931 63.931 63.997 -0.066 19764 942 1 6 . 1 1 3 3 SER H H 3 7.993 7.993 8.642 -0.649 19764 943 1 6 . 1 1 4 4 ALA N N 4 125.695 125.695 126.123 -0.428 19764 944 1 6 . 1 1 4 4 ALA HA H 4 4.475 4.475 4.425 0.050 19764 945 1 6 . 1 1 4 4 ALA CA C 4 54.340 54.340 55.634 -1.294 19764 946 1 6 . 1 1 4 4 ALA CB C 4 16.965 16.965 16.917 0.048 19764 947 1 6 . 1 1 4 4 ALA H H 4 8.476 8.476 8.305 0.171 19764 948 1 6 . 1 1 5 5 PRO HA H 5 4.273 4.273 4.307 -0.034 19764 949 1 6 . 1 1 5 5 PRO C C 5 177.273 177.273 177.975 -0.702 19764 950 1 6 . 1 1 5 5 PRO CA C 5 65.399 65.399 64.978 0.421 19764 951 1 6 . 1 1 5 5 PRO CB C 5 30.875 30.875 31.360 -0.485 19764 952 1 6 . 1 1 6 6 PHE N N 6 116.345 116.345 117.699 -1.354 19764 953 1 6 . 1 1 6 6 PHE HA H 6 4.255 4.255 4.502 -0.247 19764 954 1 6 . 1 1 6 6 PHE C C 6 177.011 177.011 178.121 -1.110 19764 955 1 6 . 1 1 6 6 PHE CA C 6 61.203 61.203 60.787 0.416 19764 956 1 6 . 1 1 6 6 PHE CB C 6 38.703 38.703 38.895 -0.193 19764 957 1 6 . 1 1 6 6 PHE H H 6 7.769 7.769 7.988 -0.219 19764 958 1 6 . 1 1 7 7 GLU N N 7 118.531 118.531 120.843 -2.312 19764 959 1 6 . 1 1 7 7 GLU HA H 7 3.972 3.972 4.191 -0.219 19764 960 1 6 . 1 1 7 7 GLU C C 7 177.743 177.743 179.214 -1.471 19764 961 1 6 . 1 1 7 7 GLU CA C 7 59.818 59.818 59.325 0.493 19764 962 1 6 . 1 1 7 7 GLU CB C 7 28.080 28.080 29.257 -1.177 19764 963 1 6 . 1 1 7 7 GLU H H 7 8.334 8.334 8.057 0.277 19764 964 1 6 . 1 1 8 8 LEU N N 8 119.001 119.001 119.789 -0.788 19764 965 1 6 . 1 1 8 8 LEU HA H 8 4.112 4.112 4.086 0.026 19764 966 1 6 . 1 1 8 8 LEU C C 8 177.995 177.995 178.841 -0.846 19764 967 1 6 . 1 1 8 8 LEU CA C 8 58.093 58.093 57.722 0.371 19764 968 1 6 . 1 1 8 8 LEU CB C 8 41.424 41.424 40.836 0.588 19764 969 1 6 . 1 1 8 8 LEU H H 8 8.254 8.254 7.659 0.595 19764 970 1 6 . 1 1 9 9 PHE N N 9 118.536 118.536 120.759 -2.223 19764 971 1 6 . 1 1 9 9 PHE HA H 9 4.071 4.071 4.084 -0.013 19764 972 1 6 . 1 1 9 9 PHE C C 9 177.219 177.219 177.308 -0.089 19764 973 1 6 . 1 1 9 9 PHE CA C 9 61.496 61.496 62.093 -0.597 19764 974 1 6 . 1 1 9 9 PHE CB C 9 38.768 38.768 38.863 -0.095 19764 975 1 6 . 1 1 9 9 PHE H H 9 8.148 8.148 7.872 0.276 19764 976 1 6 . 1 1 10 10 PHE N N 10 119.124 119.124 118.501 0.623 19764 977 1 6 . 1 1 10 10 PHE HA H 10 4.067 4.067 4.057 0.010 19764 978 1 6 . 1 1 10 10 PHE CA C 10 61.545 61.545 61.353 0.192 19764 979 1 6 . 1 1 10 10 PHE CB C 10 38.850 38.850 39.061 -0.211 19764 980 1 6 . 1 1 10 10 PHE H H 10 8.572 8.572 8.065 0.507 19764 981 1 6 . 1 1 11 11 MET N N 11 120.911 120.911 119.217 1.694 19764 982 1 6 . 1 1 11 11 MET HA H 11 4.019 4.019 4.133 -0.114 19764 983 1 6 . 1 1 11 11 MET C C 11 178.246 178.246 178.124 0.122 19764 984 1 6 . 1 1 11 11 MET CA C 11 59.255 59.255 58.621 0.634 19764 985 1 6 . 1 1 11 11 MET CB C 11 32.680 32.680 32.256 0.424 19764 986 1 6 . 1 1 11 11 MET H H 11 8.555 8.555 7.351 1.204 19764 987 1 6 . 1 1 12 12 ILE N N 12 120.842 120.842 119.870 0.972 19764 988 1 6 . 1 1 12 12 ILE HA H 12 3.560 3.560 3.377 0.183 19764 989 1 6 . 1 1 12 12 ILE C C 12 176.760 176.760 177.576 -0.816 19764 990 1 6 . 1 1 12 12 ILE CA C 12 65.194 65.194 66.266 -1.072 19764 991 1 6 . 1 1 12 12 ILE CB C 12 37.587 37.587 37.272 0.315 19764 992 1 6 . 1 1 12 12 ILE H H 12 8.536 8.536 8.671 -0.135 19764 993 1 6 . 1 1 13 13 ASN N N 13 117.647 117.647 117.095 0.552 19764 994 1 6 . 1 1 13 13 ASN HA H 13 4.144 4.144 4.167 -0.023 19764 995 1 6 . 1 1 13 13 ASN C C 13 176.858 176.858 177.696 -0.838 19764 996 1 6 . 1 1 13 13 ASN CA C 13 57.064 57.064 56.563 0.501 19764 997 1 6 . 1 1 13 13 ASN CB C 13 38.939 38.939 37.946 0.993 19764 998 1 6 . 1 1 13 13 ASN H H 13 8.097 8.097 7.684 0.413 19764 999 1 6 . 1 1 14 14 THR N N 14 114.513 114.513 116.446 -1.933 19764 1000 1 6 . 1 1 14 14 THR HA H 14 3.651 3.651 3.717 -0.066 19764 1001 1 6 . 1 1 14 14 THR C C 14 175.252 175.252 176.508 -1.256 19764 1002 1 6 . 1 1 14 14 THR CA C 14 67.551 67.551 66.156 1.395 19764 1003 1 6 . 1 1 14 14 THR CB C 14 67.810 67.810 67.830 -0.020 19764 1004 1 6 . 1 1 14 14 THR H H 14 8.018 8.018 7.386 0.632 19764 1005 1 6 . 1 1 15 15 SER N N 15 117.295 117.295 118.042 -0.747 19764 1006 1 6 . 1 1 15 15 SER HA H 15 3.986 3.986 4.175 -0.189 19764 1007 1 6 . 1 1 15 15 SER C C 15 174.782 174.782 176.468 -1.686 19764 1008 1 6 . 1 1 15 15 SER CA C 15 63.103 63.103 61.892 1.211 19764 1009 1 6 . 1 1 15 15 SER CB C 15 62.684 62.684 62.845 -0.161 19764 1010 1 6 . 1 1 15 15 SER H H 15 7.733 7.733 7.952 -0.219 19764 1011 1 6 . 1 1 16 16 ILE N N 16 120.420 120.420 122.179 -1.759 19764 1012 1 6 . 1 1 16 16 ILE HA H 16 3.508 3.508 3.669 -0.161 19764 1013 1 6 . 1 1 16 16 ILE C C 16 176.694 176.694 178.090 -1.396 19764 1014 1 6 . 1 1 16 16 ILE CA C 16 64.887 64.887 65.175 -0.288 19764 1015 1 6 . 1 1 16 16 ILE CB C 16 37.036 37.036 37.719 -0.684 19764 1016 1 6 . 1 1 16 16 ILE H H 16 7.747 7.747 8.316 -0.569 19764 1017 1 6 . 1 1 17 17 LEU N N 17 119.529 119.529 120.103 -0.574 19764 1018 1 6 . 1 1 17 17 LEU HA H 17 4.007 4.007 3.987 0.020 19764 1019 1 6 . 1 1 17 17 LEU C C 17 178.060 178.060 178.412 -0.352 19764 1020 1 6 . 1 1 17 17 LEU CA C 17 58.262 58.262 57.816 0.446 19764 1021 1 6 . 1 1 17 17 LEU CB C 17 41.525 41.525 42.139 -0.614 19764 1022 1 6 . 1 1 17 17 LEU H H 17 7.677 7.677 7.656 0.021 19764 1023 1 6 . 1 1 18 18 LEU N N 18 117.308 117.308 120.009 -2.701 19764 1024 1 6 . 1 1 18 18 LEU HA H 18 3.929 3.929 3.291 0.638 19764 1025 1 6 . 1 1 18 18 LEU C C 18 178.016 178.016 178.836 -0.820 19764 1026 1 6 . 1 1 18 18 LEU CA C 18 58.168 58.168 57.972 0.196 19764 1027 1 6 . 1 1 18 18 LEU CB C 18 41.416 41.416 41.511 -0.095 19764 1028 1 6 . 1 1 18 18 LEU H H 18 8.087 8.087 8.081 0.006 19764 1029 1 6 . 1 1 19 19 ILE N N 19 118.636 118.636 119.434 -0.798 19764 1030 1 6 . 1 1 19 19 ILE HA H 19 3.626 3.626 3.616 0.010 19764 1031 1 6 . 1 1 19 19 ILE C C 19 177.131 177.131 177.707 -0.576 19764 1032 1 6 . 1 1 19 19 ILE CA C 19 65.504 65.504 65.696 -0.192 19764 1033 1 6 . 1 1 19 19 ILE CB C 19 37.242 37.242 37.839 -0.597 19764 1034 1 6 . 1 1 19 19 ILE H H 19 8.108 8.108 8.622 -0.514 19764 1035 1 6 . 1 1 20 20 PHE N N 20 119.349 119.349 119.226 0.123 19764 1036 1 6 . 1 1 20 20 PHE HA H 20 4.204 4.204 4.117 0.087 19764 1037 1 6 . 1 1 20 20 PHE C C 20 176.771 176.771 177.812 -1.041 19764 1038 1 6 . 1 1 20 20 PHE CA C 20 61.540 61.540 61.671 -0.131 19764 1039 1 6 . 1 1 20 20 PHE CB C 20 38.503 38.503 38.948 -0.445 19764 1040 1 6 . 1 1 20 20 PHE H H 20 8.448 8.448 7.455 0.993 19764 1041 1 6 . 1 1 21 21 ILE N N 21 118.342 118.342 120.550 -2.208 19764 1042 1 6 . 1 1 21 21 ILE HA H 21 3.428 3.428 3.577 -0.149 19764 1043 1 6 . 1 1 21 21 ILE C C 21 176.989 176.989 177.638 -0.649 19764 1044 1 6 . 1 1 21 21 ILE CA C 21 65.547 65.547 65.886 -0.339 19764 1045 1 6 . 1 1 21 21 ILE CB C 21 37.354 37.354 37.778 -0.424 19764 1046 1 6 . 1 1 21 21 ILE H H 21 8.485 8.485 8.362 0.123 19764 1047 1 6 . 1 1 22 22 PHE N N 22 119.166 119.166 118.199 0.967 19764 1048 1 6 . 1 1 22 22 PHE HA H 22 4.207 4.207 4.342 -0.135 19764 1049 1 6 . 1 1 22 22 PHE C C 22 176.880 176.880 178.262 -1.382 19764 1050 1 6 . 1 1 22 22 PHE CA C 22 61.174 61.174 60.148 1.026 19764 1051 1 6 . 1 1 22 22 PHE CB C 22 38.432 38.432 38.095 0.337 19764 1052 1 6 . 1 1 22 22 PHE H H 22 8.576 8.576 7.975 0.601 19764 1053 1 6 . 1 1 23 23 ILE N N 23 118.582 118.582 119.968 -1.386 19764 1054 1 6 . 1 1 23 23 ILE HA H 23 3.552 3.552 3.810 -0.258 19764 1055 1 6 . 1 1 23 23 ILE C C 23 177.284 177.284 177.451 -0.167 19764 1056 1 6 . 1 1 23 23 ILE CA C 23 65.453 65.453 64.628 0.825 19764 1057 1 6 . 1 1 23 23 ILE CB C 23 37.112 37.112 37.750 -0.638 19764 1058 1 6 . 1 1 23 23 ILE H H 23 8.508 8.508 8.415 0.093 19764 1059 1 6 . 1 1 24 24 VAL N N 24 119.194 119.194 119.849 -0.655 19764 1060 1 6 . 1 1 24 24 VAL HA H 24 3.446 3.446 3.629 -0.183 19764 1061 1 6 . 1 1 24 24 VAL C C 24 178.060 178.060 177.376 0.684 19764 1062 1 6 . 1 1 24 24 VAL CA C 24 67.298 67.298 66.679 0.619 19764 1063 1 6 . 1 1 24 24 VAL CB C 24 30.785 30.785 32.001 -1.216 19764 1064 1 6 . 1 1 24 24 VAL H H 24 8.212 8.212 7.609 0.603 19764 1065 1 6 . 1 1 25 25 LEU N N 25 119.253 119.253 120.447 -1.194 19764 1066 1 6 . 1 1 25 25 LEU HA H 25 3.956 3.956 4.038 -0.082 19764 1067 1 6 . 1 1 25 25 LEU C C 25 178.574 178.574 179.383 -0.809 19764 1068 1 6 . 1 1 25 25 LEU CA C 25 58.254 58.254 57.792 0.462 19764 1069 1 6 . 1 1 25 25 LEU CB C 25 41.536 41.536 41.569 -0.033 19764 1070 1 6 . 1 1 25 25 LEU H H 25 8.442 8.442 7.843 0.599 19764 1071 1 6 . 1 1 26 26 LEU N N 26 121.151 121.151 119.446 1.705 19764 1072 1 6 . 1 1 26 26 LEU HA H 26 3.915 3.915 4.120 -0.205 19764 1073 1 6 . 1 1 26 26 LEU C C 26 178.770 178.770 179.173 -0.403 19764 1074 1 6 . 1 1 26 26 LEU CA C 26 58.658 58.658 58.590 0.068 19764 1075 1 6 . 1 1 26 26 LEU CB C 26 41.590 41.590 41.458 0.132 19764 1076 1 6 . 1 1 26 26 LEU H H 26 8.639 8.639 7.629 1.010 19764 1077 1 6 . 1 1 27 27 ILE N N 27 118.583 118.583 119.241 -0.658 19764 1078 1 6 . 1 1 27 27 ILE HA H 27 3.551 3.551 3.784 -0.233 19764 1079 1 6 . 1 1 27 27 ILE C C 27 178.333 178.333 177.942 0.391 19764 1080 1 6 . 1 1 27 27 ILE CA C 27 65.199 65.199 65.135 0.064 19764 1081 1 6 . 1 1 27 27 ILE CB C 27 37.564 37.564 37.828 -0.264 19764 1082 1 6 . 1 1 27 27 ILE H H 27 8.475 8.475 7.493 0.982 19764 1083 1 6 . 1 1 28 28 HIS N N 28 117.341 117.341 119.415 -2.074 19764 1084 1 6 . 1 1 28 28 HIS HA H 28 4.353 4.353 4.508 -0.155 19764 1085 1 6 . 1 1 28 28 HIS C C 28 176.498 176.498 177.928 -1.430 19764 1086 1 6 . 1 1 28 28 HIS CA C 28 59.110 59.110 59.672 -0.562 19764 1087 1 6 . 1 1 28 28 HIS CB C 28 28.024 28.024 29.745 -1.721 19764 1088 1 6 . 1 1 28 28 HIS H H 28 8.415 8.415 7.840 0.575 19764 1089 1 6 . 1 1 29 29 PHE N N 29 115.694 115.694 117.507 -1.813 19764 1090 1 6 . 1 1 29 29 PHE HA H 29 4.337 4.337 4.639 -0.302 19764 1091 1 6 . 1 1 29 29 PHE C C 29 176.924 176.924 177.298 -0.374 19764 1092 1 6 . 1 1 29 29 PHE CA C 29 60.735 60.735 59.361 1.374 19764 1093 1 6 . 1 1 29 29 PHE CB C 29 39.449 39.449 39.432 0.017 19764 1094 1 6 . 1 1 29 29 PHE H H 29 8.727 8.727 8.069 0.658 19764 1095 1 6 . 1 1 30 30 GLU N N 30 115.099 115.099 118.637 -3.538 19764 1096 1 6 . 1 1 30 30 GLU HA H 30 4.336 4.336 4.371 -0.035 19764 1097 1 6 . 1 1 30 30 GLU C C 30 176.563 176.563 177.262 -0.699 19764 1098 1 6 . 1 1 30 30 GLU CA C 30 55.482 55.482 57.446 -1.964 19764 1099 1 6 . 1 1 30 30 GLU CB C 30 28.002 28.002 30.211 -2.209 19764 1100 1 6 . 1 1 30 30 GLU H H 30 8.319 8.319 8.157 0.162 19764 1101 1 6 . 1 1 31 31 GLY N N 31 107.479 107.479 107.760 -0.281 19764 1102 1 6 . 1 1 31 31 GLY C C 31 173.766 173.766 173.596 0.170 19764 1103 1 6 . 1 1 31 31 GLY CA C 31 45.982 45.982 44.648 1.335 19764 1104 1 6 . 1 1 31 31 GLY H H 31 7.850 7.850 7.863 -0.013 19764 1105 1 6 . 1 1 32 32 TRP N N 32 118.981 118.981 121.589 -2.608 19764 1106 1 6 . 1 1 32 32 TRP HA H 32 4.645 4.645 4.732 -0.087 19764 1107 1 6 . 1 1 32 32 TRP C C 32 175.350 175.350 174.190 1.160 19764 1108 1 6 . 1 1 32 32 TRP CA C 32 56.455 56.455 57.298 -0.843 19764 1109 1 6 . 1 1 32 32 TRP CB C 32 29.033 29.033 31.813 -2.780 19764 1110 1 6 . 1 1 32 32 TRP H H 32 7.530 7.530 7.607 -0.077 19764 1111 1 6 . 1 1 33 33 ARG N N 33 121.186 121.186 122.171 -0.985 19764 1112 1 6 . 1 1 33 33 ARG HA H 33 4.273 4.273 4.434 -0.161 19764 1113 1 6 . 1 1 33 33 ARG C C 33 174.990 174.990 174.737 0.253 19764 1114 1 6 . 1 1 33 33 ARG CA C 33 55.581 55.581 54.724 0.857 19764 1115 1 6 . 1 1 33 33 ARG CB C 33 30.661 30.661 30.395 0.266 19764 1116 1 6 . 1 1 33 33 ARG H H 33 7.926 7.926 7.910 0.016 19764 1117 1 7 . 1 1 2 2 ASP N N 2 118.854 118.854 121.113 -2.259 19764 1118 1 7 . 1 1 2 2 ASP HA H 2 4.701 4.701 4.947 -0.246 19764 1119 1 7 . 1 1 2 2 ASP C C 2 175.219 175.219 175.652 -0.433 19764 1120 1 7 . 1 1 2 2 ASP CA C 2 53.518 53.518 54.800 -1.282 19764 1121 1 7 . 1 1 2 2 ASP CB C 2 39.533 39.533 42.564 -3.031 19764 1122 1 7 . 1 1 2 2 ASP H H 2 8.445 8.445 8.270 0.175 19764 1123 1 7 . 1 1 3 3 SER N N 3 114.607 114.607 118.975 -4.368 19764 1124 1 7 . 1 1 3 3 SER HA H 3 4.513 4.513 4.922 -0.409 19764 1125 1 7 . 1 1 3 3 SER C C 3 174.542 174.542 175.141 -0.599 19764 1126 1 7 . 1 1 3 3 SER CA C 3 58.447 58.447 57.844 0.603 19764 1127 1 7 . 1 1 3 3 SER CB C 3 63.931 63.931 64.167 -0.236 19764 1128 1 7 . 1 1 3 3 SER H H 3 7.993 7.993 8.604 -0.611 19764 1129 1 7 . 1 1 4 4 ALA N N 4 125.695 125.695 125.609 0.086 19764 1130 1 7 . 1 1 4 4 ALA HA H 4 4.475 4.475 4.455 0.020 19764 1131 1 7 . 1 1 4 4 ALA CA C 4 54.340 54.340 55.067 -0.727 19764 1132 1 7 . 1 1 4 4 ALA CB C 4 16.965 16.965 17.013 -0.048 19764 1133 1 7 . 1 1 4 4 ALA H H 4 8.476 8.476 8.231 0.245 19764 1134 1 7 . 1 1 5 5 PRO HA H 5 4.273 4.273 4.192 0.081 19764 1135 1 7 . 1 1 5 5 PRO C C 5 177.273 177.273 177.881 -0.608 19764 1136 1 7 . 1 1 5 5 PRO CA C 5 65.399 65.399 64.890 0.509 19764 1137 1 7 . 1 1 5 5 PRO CB C 5 30.875 30.875 31.304 -0.429 19764 1138 1 7 . 1 1 6 6 PHE N N 6 116.345 116.345 117.333 -0.988 19764 1139 1 7 . 1 1 6 6 PHE HA H 6 4.255 4.255 4.494 -0.239 19764 1140 1 7 . 1 1 6 6 PHE C C 6 177.011 177.011 178.249 -1.238 19764 1141 1 7 . 1 1 6 6 PHE CA C 6 61.203 61.203 60.523 0.680 19764 1142 1 7 . 1 1 6 6 PHE CB C 6 38.703 38.703 38.937 -0.234 19764 1143 1 7 . 1 1 6 6 PHE H H 6 7.769 7.769 8.094 -0.325 19764 1144 1 7 . 1 1 7 7 GLU N N 7 118.531 118.531 121.104 -2.573 19764 1145 1 7 . 1 1 7 7 GLU HA H 7 3.972 3.972 4.113 -0.141 19764 1146 1 7 . 1 1 7 7 GLU C C 7 177.743 177.743 178.816 -1.073 19764 1147 1 7 . 1 1 7 7 GLU CA C 7 59.818 59.818 59.389 0.429 19764 1148 1 7 . 1 1 7 7 GLU CB C 7 28.080 28.080 29.325 -1.245 19764 1149 1 7 . 1 1 7 7 GLU H H 7 8.334 8.334 7.915 0.419 19764 1150 1 7 . 1 1 8 8 LEU N N 8 119.001 119.001 120.299 -1.298 19764 1151 1 7 . 1 1 8 8 LEU HA H 8 4.112 4.112 4.037 0.075 19764 1152 1 7 . 1 1 8 8 LEU C C 8 177.995 177.995 178.417 -0.422 19764 1153 1 7 . 1 1 8 8 LEU CA C 8 58.093 58.093 57.962 0.131 19764 1154 1 7 . 1 1 8 8 LEU CB C 8 41.424 41.424 41.494 -0.070 19764 1155 1 7 . 1 1 8 8 LEU H H 8 8.254 8.254 7.595 0.659 19764 1156 1 7 . 1 1 9 9 PHE N N 9 118.536 118.536 117.992 0.544 19764 1157 1 7 . 1 1 9 9 PHE HA H 9 4.071 4.071 4.109 -0.038 19764 1158 1 7 . 1 1 9 9 PHE C C 9 177.219 177.219 178.055 -0.836 19764 1159 1 7 . 1 1 9 9 PHE CA C 9 61.496 61.496 61.829 -0.333 19764 1160 1 7 . 1 1 9 9 PHE CB C 9 38.768 38.768 38.279 0.489 19764 1161 1 7 . 1 1 9 9 PHE H H 9 8.148 8.148 7.596 0.552 19764 1162 1 7 . 1 1 10 10 PHE N N 10 119.124 119.124 119.204 -0.080 19764 1163 1 7 . 1 1 10 10 PHE HA H 10 4.067 4.067 4.301 -0.234 19764 1164 1 7 . 1 1 10 10 PHE CA C 10 61.545 61.545 61.473 0.072 19764 1165 1 7 . 1 1 10 10 PHE CB C 10 38.850 38.850 39.197 -0.347 19764 1166 1 7 . 1 1 10 10 PHE H H 10 8.572 8.572 8.110 0.462 19764 1167 1 7 . 1 1 11 11 MET N N 11 120.911 120.911 119.000 1.911 19764 1168 1 7 . 1 1 11 11 MET HA H 11 4.019 4.019 4.154 -0.135 19764 1169 1 7 . 1 1 11 11 MET C C 11 178.246 178.246 177.835 0.411 19764 1170 1 7 . 1 1 11 11 MET CA C 11 59.255 59.255 59.292 -0.037 19764 1171 1 7 . 1 1 11 11 MET CB C 11 32.680 32.680 32.641 0.039 19764 1172 1 7 . 1 1 11 11 MET H H 11 8.555 8.555 7.422 1.133 19764 1173 1 7 . 1 1 12 12 ILE N N 12 120.842 120.842 118.425 2.417 19764 1174 1 7 . 1 1 12 12 ILE HA H 12 3.560 3.560 3.733 -0.173 19764 1175 1 7 . 1 1 12 12 ILE C C 12 176.760 176.760 177.119 -0.359 19764 1176 1 7 . 1 1 12 12 ILE CA C 12 65.194 65.194 64.864 0.330 19764 1177 1 7 . 1 1 12 12 ILE CB C 12 37.587 37.587 37.984 -0.397 19764 1178 1 7 . 1 1 12 12 ILE H H 12 8.536 8.536 8.345 0.191 19764 1179 1 7 . 1 1 13 13 ASN N N 13 117.647 117.647 117.945 -0.298 19764 1180 1 7 . 1 1 13 13 ASN HA H 13 4.144 4.144 4.357 -0.213 19764 1181 1 7 . 1 1 13 13 ASN C C 13 176.858 176.858 177.476 -0.618 19764 1182 1 7 . 1 1 13 13 ASN CA C 13 57.064 57.064 56.661 0.403 19764 1183 1 7 . 1 1 13 13 ASN CB C 13 38.939 38.939 38.838 0.101 19764 1184 1 7 . 1 1 13 13 ASN H H 13 8.097 8.097 8.243 -0.146 19764 1185 1 7 . 1 1 14 14 THR N N 14 114.513 114.513 114.363 0.150 19764 1186 1 7 . 1 1 14 14 THR HA H 14 3.651 3.651 3.848 -0.197 19764 1187 1 7 . 1 1 14 14 THR C C 14 175.252 175.252 176.819 -1.567 19764 1188 1 7 . 1 1 14 14 THR CA C 14 67.551 67.551 65.584 1.967 19764 1189 1 7 . 1 1 14 14 THR CB C 14 67.810 67.810 67.934 -0.124 19764 1190 1 7 . 1 1 14 14 THR H H 14 8.018 8.018 7.572 0.446 19764 1191 1 7 . 1 1 15 15 SER N N 15 117.295 117.295 117.480 -0.185 19764 1192 1 7 . 1 1 15 15 SER HA H 15 3.986 3.986 4.281 -0.295 19764 1193 1 7 . 1 1 15 15 SER C C 15 174.782 174.782 176.650 -1.868 19764 1194 1 7 . 1 1 15 15 SER CA C 15 63.103 63.103 62.004 1.099 19764 1195 1 7 . 1 1 15 15 SER CB C 15 62.684 62.684 62.721 -0.037 19764 1196 1 7 . 1 1 15 15 SER H H 15 7.733 7.733 7.205 0.528 19764 1197 1 7 . 1 1 16 16 ILE N N 16 120.420 120.420 121.988 -1.568 19764 1198 1 7 . 1 1 16 16 ILE HA H 16 3.508 3.508 3.719 -0.211 19764 1199 1 7 . 1 1 16 16 ILE C C 16 176.694 176.694 178.347 -1.653 19764 1200 1 7 . 1 1 16 16 ILE CA C 16 64.887 64.887 65.023 -0.136 19764 1201 1 7 . 1 1 16 16 ILE CB C 16 37.036 37.036 37.770 -0.735 19764 1202 1 7 . 1 1 16 16 ILE H H 16 7.747 7.747 7.660 0.087 19764 1203 1 7 . 1 1 17 17 LEU N N 17 119.529 119.529 120.213 -0.684 19764 1204 1 7 . 1 1 17 17 LEU HA H 17 4.007 4.007 4.080 -0.073 19764 1205 1 7 . 1 1 17 17 LEU C C 17 178.060 178.060 178.463 -0.403 19764 1206 1 7 . 1 1 17 17 LEU CA C 17 58.262 58.262 57.860 0.402 19764 1207 1 7 . 1 1 17 17 LEU CB C 17 41.525 41.525 42.254 -0.729 19764 1208 1 7 . 1 1 17 17 LEU H H 17 7.677 7.677 7.866 -0.189 19764 1209 1 7 . 1 1 18 18 LEU N N 18 117.308 117.308 120.465 -3.157 19764 1210 1 7 . 1 1 18 18 LEU HA H 18 3.929 3.929 3.545 0.384 19764 1211 1 7 . 1 1 18 18 LEU C C 18 178.016 178.016 178.955 -0.939 19764 1212 1 7 . 1 1 18 18 LEU CA C 18 58.168 58.168 58.295 -0.127 19764 1213 1 7 . 1 1 18 18 LEU CB C 18 41.416 41.416 41.757 -0.341 19764 1214 1 7 . 1 1 18 18 LEU H H 18 8.087 8.087 8.158 -0.071 19764 1215 1 7 . 1 1 19 19 ILE N N 19 118.636 118.636 119.144 -0.508 19764 1216 1 7 . 1 1 19 19 ILE HA H 19 3.626 3.626 3.689 -0.063 19764 1217 1 7 . 1 1 19 19 ILE C C 19 177.131 177.131 177.724 -0.593 19764 1218 1 7 . 1 1 19 19 ILE CA C 19 65.504 65.504 65.789 -0.285 19764 1219 1 7 . 1 1 19 19 ILE CB C 19 37.242 37.242 37.819 -0.577 19764 1220 1 7 . 1 1 19 19 ILE H H 19 8.108 8.108 8.519 -0.411 19764 1221 1 7 . 1 1 20 20 PHE N N 20 119.349 119.349 119.466 -0.117 19764 1222 1 7 . 1 1 20 20 PHE HA H 20 4.204 4.204 4.139 0.065 19764 1223 1 7 . 1 1 20 20 PHE C C 20 176.771 176.771 177.701 -0.930 19764 1224 1 7 . 1 1 20 20 PHE CA C 20 61.540 61.540 61.474 0.066 19764 1225 1 7 . 1 1 20 20 PHE CB C 20 38.503 38.503 39.119 -0.616 19764 1226 1 7 . 1 1 20 20 PHE H H 20 8.448 8.448 7.494 0.954 19764 1227 1 7 . 1 1 21 21 ILE N N 21 118.342 118.342 120.226 -1.884 19764 1228 1 7 . 1 1 21 21 ILE HA H 21 3.428 3.428 3.373 0.055 19764 1229 1 7 . 1 1 21 21 ILE C C 21 176.989 176.989 177.838 -0.849 19764 1230 1 7 . 1 1 21 21 ILE CA C 21 65.547 65.547 65.779 -0.233 19764 1231 1 7 . 1 1 21 21 ILE CB C 21 37.354 37.354 37.655 -0.301 19764 1232 1 7 . 1 1 21 21 ILE H H 21 8.485 8.485 8.375 0.110 19764 1233 1 7 . 1 1 22 22 PHE N N 22 119.166 119.166 118.488 0.678 19764 1234 1 7 . 1 1 22 22 PHE HA H 22 4.207 4.207 4.218 -0.011 19764 1235 1 7 . 1 1 22 22 PHE C C 22 176.880 176.880 177.756 -0.876 19764 1236 1 7 . 1 1 22 22 PHE CA C 22 61.174 61.174 61.900 -0.726 19764 1237 1 7 . 1 1 22 22 PHE CB C 22 38.432 38.432 38.267 0.165 19764 1238 1 7 . 1 1 22 22 PHE H H 22 8.576 8.576 8.087 0.489 19764 1239 1 7 . 1 1 23 23 ILE N N 23 118.582 118.582 119.646 -1.064 19764 1240 1 7 . 1 1 23 23 ILE HA H 23 3.552 3.552 3.702 -0.150 19764 1241 1 7 . 1 1 23 23 ILE C C 23 177.284 177.284 177.992 -0.708 19764 1242 1 7 . 1 1 23 23 ILE CA C 23 65.453 65.453 65.597 -0.144 19764 1243 1 7 . 1 1 23 23 ILE CB C 23 37.112 37.112 37.538 -0.426 19764 1244 1 7 . 1 1 23 23 ILE H H 23 8.508 8.508 8.738 -0.230 19764 1245 1 7 . 1 1 24 24 VAL N N 24 119.194 119.194 118.169 1.025 19764 1246 1 7 . 1 1 24 24 VAL HA H 24 3.446 3.446 3.525 -0.079 19764 1247 1 7 . 1 1 24 24 VAL C C 24 178.060 178.060 177.873 0.187 19764 1248 1 7 . 1 1 24 24 VAL CA C 24 67.298 67.298 66.310 0.988 19764 1249 1 7 . 1 1 24 24 VAL CB C 24 30.785 30.785 31.125 -0.340 19764 1250 1 7 . 1 1 24 24 VAL H H 24 8.212 8.212 7.542 0.670 19764 1251 1 7 . 1 1 25 25 LEU N N 25 119.253 119.253 121.241 -1.988 19764 1252 1 7 . 1 1 25 25 LEU HA H 25 3.956 3.956 3.970 -0.014 19764 1253 1 7 . 1 1 25 25 LEU C C 25 178.574 178.574 179.235 -0.661 19764 1254 1 7 . 1 1 25 25 LEU CA C 25 58.254 58.254 57.980 0.274 19764 1255 1 7 . 1 1 25 25 LEU CB C 25 41.536 41.536 41.776 -0.240 19764 1256 1 7 . 1 1 25 25 LEU H H 25 8.442 8.442 7.104 1.338 19764 1257 1 7 . 1 1 26 26 LEU N N 26 121.151 121.151 119.648 1.503 19764 1258 1 7 . 1 1 26 26 LEU HA H 26 3.915 3.915 4.066 -0.151 19764 1259 1 7 . 1 1 26 26 LEU C C 26 178.770 178.770 179.637 -0.867 19764 1260 1 7 . 1 1 26 26 LEU CA C 26 58.658 58.658 58.381 0.277 19764 1261 1 7 . 1 1 26 26 LEU CB C 26 41.590 41.590 40.763 0.827 19764 1262 1 7 . 1 1 26 26 LEU H H 26 8.639 8.639 8.694 -0.055 19764 1263 1 7 . 1 1 27 27 ILE N N 27 118.583 118.583 118.486 0.097 19764 1264 1 7 . 1 1 27 27 ILE HA H 27 3.551 3.551 3.494 0.057 19764 1265 1 7 . 1 1 27 27 ILE C C 27 178.333 178.333 177.625 0.708 19764 1266 1 7 . 1 1 27 27 ILE CA C 27 65.199 65.199 65.375 -0.176 19764 1267 1 7 . 1 1 27 27 ILE CB C 27 37.564 37.564 37.644 -0.080 19764 1268 1 7 . 1 1 27 27 ILE H H 27 8.475 8.475 7.391 1.084 19764 1269 1 7 . 1 1 28 28 HIS N N 28 117.341 117.341 119.149 -1.808 19764 1270 1 7 . 1 1 28 28 HIS HA H 28 4.353 4.353 4.214 0.139 19764 1271 1 7 . 1 1 28 28 HIS C C 28 176.498 176.498 177.597 -1.099 19764 1272 1 7 . 1 1 28 28 HIS CA C 28 59.110 59.110 59.924 -0.814 19764 1273 1 7 . 1 1 28 28 HIS CB C 28 28.024 28.024 29.664 -1.640 19764 1274 1 7 . 1 1 28 28 HIS H H 28 8.415 8.415 7.696 0.720 19764 1275 1 7 . 1 1 29 29 PHE N N 29 115.694 115.694 116.816 -1.122 19764 1276 1 7 . 1 1 29 29 PHE HA H 29 4.337 4.337 4.557 -0.220 19764 1277 1 7 . 1 1 29 29 PHE C C 29 176.924 176.924 177.161 -0.237 19764 1278 1 7 . 1 1 29 29 PHE CA C 29 60.735 60.735 59.444 1.291 19764 1279 1 7 . 1 1 29 29 PHE CB C 29 39.449 39.449 39.431 0.018 19764 1280 1 7 . 1 1 29 29 PHE H H 29 8.727 8.727 8.060 0.667 19764 1281 1 7 . 1 1 30 30 GLU N N 30 115.099 115.099 118.814 -3.715 19764 1282 1 7 . 1 1 30 30 GLU HA H 30 4.336 4.336 4.327 0.009 19764 1283 1 7 . 1 1 30 30 GLU C C 30 176.563 176.563 177.415 -0.852 19764 1284 1 7 . 1 1 30 30 GLU CA C 30 55.482 55.482 57.312 -1.830 19764 1285 1 7 . 1 1 30 30 GLU CB C 30 28.002 28.002 30.114 -2.112 19764 1286 1 7 . 1 1 30 30 GLU H H 30 8.319 8.319 8.146 0.173 19764 1287 1 7 . 1 1 31 31 GLY N N 31 107.479 107.479 107.243 0.236 19764 1288 1 7 . 1 1 31 31 GLY C C 31 173.766 173.766 174.010 -0.244 19764 1289 1 7 . 1 1 31 31 GLY CA C 31 45.982 45.982 44.727 1.255 19764 1290 1 7 . 1 1 31 31 GLY H H 31 7.850 7.850 7.896 -0.046 19764 1291 1 7 . 1 1 32 32 TRP N N 32 118.981 118.981 121.231 -2.250 19764 1292 1 7 . 1 1 32 32 TRP HA H 32 4.645 4.645 4.722 -0.077 19764 1293 1 7 . 1 1 32 32 TRP C C 32 175.350 175.350 174.862 0.488 19764 1294 1 7 . 1 1 32 32 TRP CA C 32 56.455 56.455 57.015 -0.560 19764 1295 1 7 . 1 1 32 32 TRP CB C 32 29.033 29.033 30.893 -1.860 19764 1296 1 7 . 1 1 32 32 TRP H H 32 7.530 7.530 7.574 -0.044 19764 1297 1 7 . 1 1 33 33 ARG N N 33 121.186 121.186 119.673 1.513 19764 1298 1 7 . 1 1 33 33 ARG HA H 33 4.273 4.273 4.392 -0.119 19764 1299 1 7 . 1 1 33 33 ARG C C 33 174.990 174.990 175.209 -0.219 19764 1300 1 7 . 1 1 33 33 ARG CA C 33 55.581 55.581 55.513 0.069 19764 1301 1 7 . 1 1 33 33 ARG CB C 33 30.661 30.661 29.391 1.270 19764 1302 1 7 . 1 1 33 33 ARG H H 33 7.926 7.926 8.109 -0.183 19764 1303 1 8 . 1 1 2 2 ASP N N 2 118.854 118.854 122.120 -3.266 19764 1304 1 8 . 1 1 2 2 ASP HA H 2 4.701 4.701 4.965 -0.264 19764 1305 1 8 . 1 1 2 2 ASP C C 2 175.219 175.219 175.478 -0.259 19764 1306 1 8 . 1 1 2 2 ASP CA C 2 53.518 53.518 54.938 -1.420 19764 1307 1 8 . 1 1 2 2 ASP CB C 2 39.533 39.533 42.373 -2.840 19764 1308 1 8 . 1 1 2 2 ASP H H 2 8.445 8.445 8.332 0.113 19764 1309 1 8 . 1 1 3 3 SER N N 3 114.607 114.607 119.199 -4.592 19764 1310 1 8 . 1 1 3 3 SER HA H 3 4.513 4.513 5.003 -0.490 19764 1311 1 8 . 1 1 3 3 SER C C 3 174.542 174.542 175.117 -0.575 19764 1312 1 8 . 1 1 3 3 SER CA C 3 58.447 58.447 57.679 0.767 19764 1313 1 8 . 1 1 3 3 SER CB C 3 63.931 63.931 64.385 -0.453 19764 1314 1 8 . 1 1 3 3 SER H H 3 7.993 7.993 8.606 -0.613 19764 1315 1 8 . 1 1 4 4 ALA N N 4 125.695 125.695 126.473 -0.778 19764 1316 1 8 . 1 1 4 4 ALA HA H 4 4.475 4.475 4.323 0.152 19764 1317 1 8 . 1 1 4 4 ALA CA C 4 54.340 54.340 55.158 -0.818 19764 1318 1 8 . 1 1 4 4 ALA CB C 4 16.965 16.965 16.555 0.410 19764 1319 1 8 . 1 1 4 4 ALA H H 4 8.476 8.476 8.276 0.200 19764 1320 1 8 . 1 1 5 5 PRO HA H 5 4.273 4.273 4.278 -0.005 19764 1321 1 8 . 1 1 5 5 PRO C C 5 177.273 177.273 178.112 -0.839 19764 1322 1 8 . 1 1 5 5 PRO CA C 5 65.399 65.399 64.924 0.476 19764 1323 1 8 . 1 1 5 5 PRO CB C 5 30.875 30.875 31.288 -0.413 19764 1324 1 8 . 1 1 6 6 PHE N N 6 116.345 116.345 117.662 -1.317 19764 1325 1 8 . 1 1 6 6 PHE HA H 6 4.255 4.255 4.455 -0.200 19764 1326 1 8 . 1 1 6 6 PHE C C 6 177.011 177.011 178.310 -1.299 19764 1327 1 8 . 1 1 6 6 PHE CA C 6 61.203 61.203 59.452 1.751 19764 1328 1 8 . 1 1 6 6 PHE CB C 6 38.703 38.703 38.507 0.196 19764 1329 1 8 . 1 1 6 6 PHE H H 6 7.769 7.769 7.826 -0.057 19764 1330 1 8 . 1 1 7 7 GLU N N 7 118.531 118.531 121.102 -2.571 19764 1331 1 8 . 1 1 7 7 GLU HA H 7 3.972 3.972 4.130 -0.158 19764 1332 1 8 . 1 1 7 7 GLU C C 7 177.743 177.743 179.117 -1.374 19764 1333 1 8 . 1 1 7 7 GLU CA C 7 59.818 59.818 59.426 0.392 19764 1334 1 8 . 1 1 7 7 GLU CB C 7 28.080 28.080 29.472 -1.392 19764 1335 1 8 . 1 1 7 7 GLU H H 7 8.334 8.334 7.963 0.371 19764 1336 1 8 . 1 1 8 8 LEU N N 8 119.001 119.001 119.814 -0.813 19764 1337 1 8 . 1 1 8 8 LEU HA H 8 4.112 4.112 4.155 -0.043 19764 1338 1 8 . 1 1 8 8 LEU C C 8 177.995 177.995 178.887 -0.892 19764 1339 1 8 . 1 1 8 8 LEU CA C 8 58.093 58.093 57.577 0.516 19764 1340 1 8 . 1 1 8 8 LEU CB C 8 41.424 41.424 41.065 0.359 19764 1341 1 8 . 1 1 8 8 LEU H H 8 8.254 8.254 7.709 0.545 19764 1342 1 8 . 1 1 9 9 PHE N N 9 118.536 118.536 119.995 -1.459 19764 1343 1 8 . 1 1 9 9 PHE HA H 9 4.071 4.071 4.110 -0.039 19764 1344 1 8 . 1 1 9 9 PHE C C 9 177.219 177.219 177.508 -0.289 19764 1345 1 8 . 1 1 9 9 PHE CA C 9 61.496 61.496 62.114 -0.618 19764 1346 1 8 . 1 1 9 9 PHE CB C 9 38.768 38.768 38.904 -0.136 19764 1347 1 8 . 1 1 9 9 PHE H H 9 8.148 8.148 7.979 0.169 19764 1348 1 8 . 1 1 10 10 PHE N N 10 119.124 119.124 118.693 0.431 19764 1349 1 8 . 1 1 10 10 PHE HA H 10 4.067 4.067 4.216 -0.149 19764 1350 1 8 . 1 1 10 10 PHE CA C 10 61.545 61.545 61.228 0.317 19764 1351 1 8 . 1 1 10 10 PHE CB C 10 38.850 38.850 39.191 -0.341 19764 1352 1 8 . 1 1 10 10 PHE H H 10 8.572 8.572 7.991 0.581 19764 1353 1 8 . 1 1 11 11 MET N N 11 120.911 120.911 118.354 2.557 19764 1354 1 8 . 1 1 11 11 MET HA H 11 4.019 4.019 4.089 -0.070 19764 1355 1 8 . 1 1 11 11 MET C C 11 178.246 178.246 177.278 0.968 19764 1356 1 8 . 1 1 11 11 MET CA C 11 59.255 59.255 59.072 0.183 19764 1357 1 8 . 1 1 11 11 MET CB C 11 32.680 32.680 32.620 0.060 19764 1358 1 8 . 1 1 11 11 MET H H 11 8.555 8.555 7.376 1.179 19764 1359 1 8 . 1 1 12 12 ILE N N 12 120.842 120.842 117.768 3.074 19764 1360 1 8 . 1 1 12 12 ILE HA H 12 3.560 3.560 3.590 -0.030 19764 1361 1 8 . 1 1 12 12 ILE C C 12 176.760 176.760 177.420 -0.660 19764 1362 1 8 . 1 1 12 12 ILE CA C 12 65.194 65.194 64.998 0.196 19764 1363 1 8 . 1 1 12 12 ILE CB C 12 37.587 37.587 37.998 -0.411 19764 1364 1 8 . 1 1 12 12 ILE H H 12 8.536 8.536 7.946 0.590 19764 1365 1 8 . 1 1 13 13 ASN N N 13 117.647 117.647 117.556 0.091 19764 1366 1 8 . 1 1 13 13 ASN HA H 13 4.144 4.144 4.156 -0.012 19764 1367 1 8 . 1 1 13 13 ASN C C 13 176.858 176.858 177.624 -0.766 19764 1368 1 8 . 1 1 13 13 ASN CA C 13 57.064 57.064 56.723 0.341 19764 1369 1 8 . 1 1 13 13 ASN CB C 13 38.939 38.939 38.340 0.599 19764 1370 1 8 . 1 1 13 13 ASN H H 13 8.097 8.097 7.661 0.436 19764 1371 1 8 . 1 1 14 14 THR N N 14 114.513 114.513 114.994 -0.481 19764 1372 1 8 . 1 1 14 14 THR HA H 14 3.651 3.651 3.762 -0.111 19764 1373 1 8 . 1 1 14 14 THR C C 14 175.252 175.252 176.405 -1.153 19764 1374 1 8 . 1 1 14 14 THR CA C 14 67.551 67.551 65.182 2.369 19764 1375 1 8 . 1 1 14 14 THR CB C 14 67.810 67.810 68.123 -0.313 19764 1376 1 8 . 1 1 14 14 THR H H 14 8.018 8.018 7.453 0.565 19764 1377 1 8 . 1 1 15 15 SER N N 15 117.295 117.295 117.637 -0.342 19764 1378 1 8 . 1 1 15 15 SER HA H 15 3.986 3.986 4.186 -0.200 19764 1379 1 8 . 1 1 15 15 SER C C 15 174.782 174.782 176.146 -1.364 19764 1380 1 8 . 1 1 15 15 SER CA C 15 63.103 63.103 62.090 1.012 19764 1381 1 8 . 1 1 15 15 SER CB C 15 62.684 62.684 62.980 -0.296 19764 1382 1 8 . 1 1 15 15 SER H H 15 7.733 7.733 7.495 0.238 19764 1383 1 8 . 1 1 16 16 ILE N N 16 120.420 120.420 121.816 -1.396 19764 1384 1 8 . 1 1 16 16 ILE HA H 16 3.508 3.508 3.662 -0.154 19764 1385 1 8 . 1 1 16 16 ILE C C 16 176.694 176.694 177.925 -1.231 19764 1386 1 8 . 1 1 16 16 ILE CA C 16 64.887 64.887 64.975 -0.089 19764 1387 1 8 . 1 1 16 16 ILE CB C 16 37.036 37.036 37.667 -0.631 19764 1388 1 8 . 1 1 16 16 ILE H H 16 7.747 7.747 7.651 0.096 19764 1389 1 8 . 1 1 17 17 LEU N N 17 119.529 119.529 120.345 -0.816 19764 1390 1 8 . 1 1 17 17 LEU HA H 17 4.007 4.007 4.044 -0.037 19764 1391 1 8 . 1 1 17 17 LEU C C 17 178.060 178.060 178.414 -0.354 19764 1392 1 8 . 1 1 17 17 LEU CA C 17 58.262 58.262 57.818 0.444 19764 1393 1 8 . 1 1 17 17 LEU CB C 17 41.525 41.525 42.229 -0.704 19764 1394 1 8 . 1 1 17 17 LEU H H 17 7.677 7.677 7.581 0.096 19764 1395 1 8 . 1 1 18 18 LEU N N 18 117.308 117.308 119.699 -2.391 19764 1396 1 8 . 1 1 18 18 LEU HA H 18 3.929 3.929 3.282 0.647 19764 1397 1 8 . 1 1 18 18 LEU C C 18 178.016 178.016 178.927 -0.911 19764 1398 1 8 . 1 1 18 18 LEU CA C 18 58.168 58.168 57.741 0.427 19764 1399 1 8 . 1 1 18 18 LEU CB C 18 41.416 41.416 41.366 0.050 19764 1400 1 8 . 1 1 18 18 LEU H H 18 8.087 8.087 8.127 -0.040 19764 1401 1 8 . 1 1 19 19 ILE N N 19 118.636 118.636 119.613 -0.977 19764 1402 1 8 . 1 1 19 19 ILE HA H 19 3.626 3.626 3.664 -0.038 19764 1403 1 8 . 1 1 19 19 ILE C C 19 177.131 177.131 177.565 -0.434 19764 1404 1 8 . 1 1 19 19 ILE CA C 19 65.504 65.504 65.760 -0.256 19764 1405 1 8 . 1 1 19 19 ILE CB C 19 37.242 37.242 37.917 -0.675 19764 1406 1 8 . 1 1 19 19 ILE H H 19 8.108 8.108 8.397 -0.289 19764 1407 1 8 . 1 1 20 20 PHE N N 20 119.349 119.349 119.478 -0.129 19764 1408 1 8 . 1 1 20 20 PHE HA H 20 4.204 4.204 4.207 -0.003 19764 1409 1 8 . 1 1 20 20 PHE C C 20 176.771 176.771 177.700 -0.929 19764 1410 1 8 . 1 1 20 20 PHE CA C 20 61.540 61.540 60.883 0.657 19764 1411 1 8 . 1 1 20 20 PHE CB C 20 38.503 38.503 39.027 -0.524 19764 1412 1 8 . 1 1 20 20 PHE H H 20 8.448 8.448 7.484 0.964 19764 1413 1 8 . 1 1 21 21 ILE N N 21 118.342 118.342 120.521 -2.179 19764 1414 1 8 . 1 1 21 21 ILE HA H 21 3.428 3.428 3.408 0.020 19764 1415 1 8 . 1 1 21 21 ILE C C 21 176.989 176.989 177.645 -0.656 19764 1416 1 8 . 1 1 21 21 ILE CA C 21 65.547 65.547 65.710 -0.163 19764 1417 1 8 . 1 1 21 21 ILE CB C 21 37.354 37.354 37.719 -0.365 19764 1418 1 8 . 1 1 21 21 ILE H H 21 8.485 8.485 8.334 0.151 19764 1419 1 8 . 1 1 22 22 PHE N N 22 119.166 119.166 118.952 0.214 19764 1420 1 8 . 1 1 22 22 PHE HA H 22 4.207 4.207 4.222 -0.015 19764 1421 1 8 . 1 1 22 22 PHE C C 22 176.880 176.880 178.023 -1.143 19764 1422 1 8 . 1 1 22 22 PHE CA C 22 61.174 61.174 60.859 0.315 19764 1423 1 8 . 1 1 22 22 PHE CB C 22 38.432 38.432 37.834 0.598 19764 1424 1 8 . 1 1 22 22 PHE H H 22 8.576 8.576 7.925 0.651 19764 1425 1 8 . 1 1 23 23 ILE N N 23 118.582 118.582 119.217 -0.635 19764 1426 1 8 . 1 1 23 23 ILE HA H 23 3.552 3.552 3.702 -0.150 19764 1427 1 8 . 1 1 23 23 ILE C C 23 177.284 177.284 177.857 -0.573 19764 1428 1 8 . 1 1 23 23 ILE CA C 23 65.453 65.453 66.184 -0.731 19764 1429 1 8 . 1 1 23 23 ILE CB C 23 37.112 37.112 37.697 -0.585 19764 1430 1 8 . 1 1 23 23 ILE H H 23 8.508 8.508 8.533 -0.025 19764 1431 1 8 . 1 1 24 24 VAL N N 24 119.194 119.194 118.444 0.750 19764 1432 1 8 . 1 1 24 24 VAL HA H 24 3.446 3.446 3.590 -0.144 19764 1433 1 8 . 1 1 24 24 VAL C C 24 178.060 178.060 177.612 0.448 19764 1434 1 8 . 1 1 24 24 VAL CA C 24 67.298 67.298 66.328 0.970 19764 1435 1 8 . 1 1 24 24 VAL CB C 24 30.785 30.785 31.195 -0.410 19764 1436 1 8 . 1 1 24 24 VAL H H 24 8.212 8.212 7.296 0.916 19764 1437 1 8 . 1 1 25 25 LEU N N 25 119.253 119.253 120.681 -1.428 19764 1438 1 8 . 1 1 25 25 LEU HA H 25 3.956 3.956 3.828 0.128 19764 1439 1 8 . 1 1 25 25 LEU C C 25 178.574 178.574 179.361 -0.787 19764 1440 1 8 . 1 1 25 25 LEU CA C 25 58.254 58.254 57.928 0.326 19764 1441 1 8 . 1 1 25 25 LEU CB C 25 41.536 41.536 41.590 -0.054 19764 1442 1 8 . 1 1 25 25 LEU H H 25 8.442 8.442 7.835 0.607 19764 1443 1 8 . 1 1 26 26 LEU N N 26 121.151 121.151 119.606 1.545 19764 1444 1 8 . 1 1 26 26 LEU HA H 26 3.915 3.915 4.101 -0.186 19764 1445 1 8 . 1 1 26 26 LEU C C 26 178.770 178.770 179.669 -0.899 19764 1446 1 8 . 1 1 26 26 LEU CA C 26 58.658 58.658 58.687 -0.029 19764 1447 1 8 . 1 1 26 26 LEU CB C 26 41.590 41.590 40.703 0.887 19764 1448 1 8 . 1 1 26 26 LEU H H 26 8.639 8.639 8.273 0.366 19764 1449 1 8 . 1 1 27 27 ILE N N 27 118.583 118.583 118.689 -0.106 19764 1450 1 8 . 1 1 27 27 ILE HA H 27 3.551 3.551 3.857 -0.306 19764 1451 1 8 . 1 1 27 27 ILE C C 27 178.333 178.333 178.218 0.115 19764 1452 1 8 . 1 1 27 27 ILE CA C 27 65.199 65.199 65.187 0.012 19764 1453 1 8 . 1 1 27 27 ILE CB C 27 37.564 37.564 38.119 -0.555 19764 1454 1 8 . 1 1 27 27 ILE H H 27 8.475 8.475 7.433 1.042 19764 1455 1 8 . 1 1 28 28 HIS N N 28 117.341 117.341 119.012 -1.671 19764 1456 1 8 . 1 1 28 28 HIS HA H 28 4.353 4.353 4.348 0.005 19764 1457 1 8 . 1 1 28 28 HIS C C 28 176.498 176.498 177.615 -1.117 19764 1458 1 8 . 1 1 28 28 HIS CA C 28 59.110 59.110 60.100 -0.990 19764 1459 1 8 . 1 1 28 28 HIS CB C 28 28.024 28.024 29.755 -1.731 19764 1460 1 8 . 1 1 28 28 HIS H H 28 8.415 8.415 8.113 0.302 19764 1461 1 8 . 1 1 29 29 PHE N N 29 115.694 115.694 116.470 -0.776 19764 1462 1 8 . 1 1 29 29 PHE HA H 29 4.337 4.337 4.563 -0.226 19764 1463 1 8 . 1 1 29 29 PHE C C 29 176.924 176.924 177.109 -0.185 19764 1464 1 8 . 1 1 29 29 PHE CA C 29 60.735 60.735 59.764 0.971 19764 1465 1 8 . 1 1 29 29 PHE CB C 29 39.449 39.449 39.610 -0.161 19764 1466 1 8 . 1 1 29 29 PHE H H 29 8.727 8.727 8.054 0.673 19764 1467 1 8 . 1 1 30 30 GLU N N 30 115.099 115.099 118.449 -3.350 19764 1468 1 8 . 1 1 30 30 GLU HA H 30 4.336 4.336 4.358 -0.022 19764 1469 1 8 . 1 1 30 30 GLU C C 30 176.563 176.563 176.965 -0.402 19764 1470 1 8 . 1 1 30 30 GLU CA C 30 55.482 55.482 56.967 -1.485 19764 1471 1 8 . 1 1 30 30 GLU CB C 30 28.002 28.002 30.030 -2.028 19764 1472 1 8 . 1 1 30 30 GLU H H 30 8.319 8.319 8.241 0.078 19764 1473 1 8 . 1 1 31 31 GLY N N 31 107.479 107.479 107.001 0.478 19764 1474 1 8 . 1 1 31 31 GLY C C 31 173.766 173.766 173.932 -0.166 19764 1475 1 8 . 1 1 31 31 GLY CA C 31 45.982 45.982 44.596 1.386 19764 1476 1 8 . 1 1 31 31 GLY H H 31 7.850 7.850 7.740 0.110 19764 1477 1 8 . 1 1 32 32 TRP N N 32 118.981 118.981 122.082 -3.101 19764 1478 1 8 . 1 1 32 32 TRP HA H 32 4.645 4.645 4.116 0.529 19764 1479 1 8 . 1 1 32 32 TRP C C 32 175.350 175.350 176.097 -0.747 19764 1480 1 8 . 1 1 32 32 TRP CA C 32 56.455 56.455 60.030 -3.575 19764 1481 1 8 . 1 1 32 32 TRP CB C 32 29.033 29.033 29.441 -0.408 19764 1482 1 8 . 1 1 32 32 TRP H H 32 7.530 7.530 7.718 -0.188 19764 1483 1 8 . 1 1 33 33 ARG N N 33 121.186 121.186 119.433 1.753 19764 1484 1 8 . 1 1 33 33 ARG HA H 33 4.273 4.273 4.097 0.176 19764 1485 1 8 . 1 1 33 33 ARG C C 33 174.990 174.990 174.982 0.008 19764 1486 1 8 . 1 1 33 33 ARG CA C 33 55.581 55.581 55.769 -0.188 19764 1487 1 8 . 1 1 33 33 ARG CB C 33 30.661 30.661 28.493 2.168 19764 1488 1 8 . 1 1 33 33 ARG H H 33 7.926 7.926 8.343 -0.417 19764 1489 1 9 . 1 1 2 2 ASP N N 2 118.854 118.854 122.337 -3.483 19764 1490 1 9 . 1 1 2 2 ASP HA H 2 4.701 4.701 4.930 -0.229 19764 1491 1 9 . 1 1 2 2 ASP C C 2 175.219 175.219 175.499 -0.280 19764 1492 1 9 . 1 1 2 2 ASP CA C 2 53.518 53.518 55.032 -1.514 19764 1493 1 9 . 1 1 2 2 ASP CB C 2 39.533 39.533 42.521 -2.988 19764 1494 1 9 . 1 1 2 2 ASP H H 2 8.445 8.445 8.246 0.199 19764 1495 1 9 . 1 1 3 3 SER N N 3 114.607 114.607 118.744 -4.137 19764 1496 1 9 . 1 1 3 3 SER HA H 3 4.513 4.513 4.875 -0.362 19764 1497 1 9 . 1 1 3 3 SER C C 3 174.542 174.542 175.080 -0.538 19764 1498 1 9 . 1 1 3 3 SER CA C 3 58.447 58.447 58.126 0.321 19764 1499 1 9 . 1 1 3 3 SER CB C 3 63.931 63.931 64.174 -0.243 19764 1500 1 9 . 1 1 3 3 SER H H 3 7.993 7.993 8.552 -0.559 19764 1501 1 9 . 1 1 4 4 ALA N N 4 125.695 125.695 125.895 -0.200 19764 1502 1 9 . 1 1 4 4 ALA HA H 4 4.475 4.475 4.470 0.005 19764 1503 1 9 . 1 1 4 4 ALA CA C 4 54.340 54.340 55.401 -1.061 19764 1504 1 9 . 1 1 4 4 ALA CB C 4 16.965 16.965 16.933 0.032 19764 1505 1 9 . 1 1 4 4 ALA H H 4 8.476 8.476 8.241 0.235 19764 1506 1 9 . 1 1 5 5 PRO HA H 5 4.273 4.273 4.254 0.019 19764 1507 1 9 . 1 1 5 5 PRO C C 5 177.273 177.273 178.527 -1.254 19764 1508 1 9 . 1 1 5 5 PRO CA C 5 65.399 65.399 65.215 0.184 19764 1509 1 9 . 1 1 5 5 PRO CB C 5 30.875 30.875 31.400 -0.525 19764 1510 1 9 . 1 1 6 6 PHE N N 6 116.345 116.345 116.934 -0.589 19764 1511 1 9 . 1 1 6 6 PHE HA H 6 4.255 4.255 4.636 -0.381 19764 1512 1 9 . 1 1 6 6 PHE C C 6 177.011 177.011 177.740 -0.729 19764 1513 1 9 . 1 1 6 6 PHE CA C 6 61.203 61.203 61.303 -0.100 19764 1514 1 9 . 1 1 6 6 PHE CB C 6 38.703 38.703 38.735 -0.032 19764 1515 1 9 . 1 1 6 6 PHE H H 6 7.769 7.769 8.449 -0.680 19764 1516 1 9 . 1 1 7 7 GLU N N 7 118.531 118.531 119.409 -0.878 19764 1517 1 9 . 1 1 7 7 GLU HA H 7 3.972 3.972 4.164 -0.192 19764 1518 1 9 . 1 1 7 7 GLU C C 7 177.743 177.743 178.907 -1.164 19764 1519 1 9 . 1 1 7 7 GLU CA C 7 59.818 59.818 59.250 0.568 19764 1520 1 9 . 1 1 7 7 GLU CB C 7 28.080 28.080 29.691 -1.611 19764 1521 1 9 . 1 1 7 7 GLU H H 7 8.334 8.334 7.677 0.657 19764 1522 1 9 . 1 1 8 8 LEU N N 8 119.001 119.001 121.414 -2.413 19764 1523 1 9 . 1 1 8 8 LEU HA H 8 4.112 4.112 4.029 0.083 19764 1524 1 9 . 1 1 8 8 LEU C C 8 177.995 177.995 178.699 -0.704 19764 1525 1 9 . 1 1 8 8 LEU CA C 8 58.093 58.093 57.886 0.207 19764 1526 1 9 . 1 1 8 8 LEU CB C 8 41.424 41.424 41.478 -0.054 19764 1527 1 9 . 1 1 8 8 LEU H H 8 8.254 8.254 7.604 0.650 19764 1528 1 9 . 1 1 9 9 PHE N N 9 118.536 118.536 118.368 0.168 19764 1529 1 9 . 1 1 9 9 PHE HA H 9 4.071 4.071 4.093 -0.022 19764 1530 1 9 . 1 1 9 9 PHE C C 9 177.219 177.219 178.010 -0.791 19764 1531 1 9 . 1 1 9 9 PHE CA C 9 61.496 61.496 61.896 -0.400 19764 1532 1 9 . 1 1 9 9 PHE CB C 9 38.768 38.768 38.683 0.085 19764 1533 1 9 . 1 1 9 9 PHE H H 9 8.148 8.148 7.722 0.426 19764 1534 1 9 . 1 1 10 10 PHE N N 10 119.124 119.124 119.866 -0.742 19764 1535 1 9 . 1 1 10 10 PHE HA H 10 4.067 4.067 4.379 -0.312 19764 1536 1 9 . 1 1 10 10 PHE CA C 10 61.545 61.545 61.114 0.431 19764 1537 1 9 . 1 1 10 10 PHE CB C 10 38.850 38.850 39.477 -0.627 19764 1538 1 9 . 1 1 10 10 PHE H H 10 8.572 8.572 8.314 0.258 19764 1539 1 9 . 1 1 11 11 MET N N 11 120.911 120.911 119.231 1.680 19764 1540 1 9 . 1 1 11 11 MET HA H 11 4.019 4.019 4.293 -0.274 19764 1541 1 9 . 1 1 11 11 MET C C 11 178.246 178.246 177.653 0.593 19764 1542 1 9 . 1 1 11 11 MET CA C 11 59.255 59.255 58.024 1.231 19764 1543 1 9 . 1 1 11 11 MET CB C 11 32.680 32.680 32.245 0.435 19764 1544 1 9 . 1 1 11 11 MET H H 11 8.555 8.555 7.759 0.796 19764 1545 1 9 . 1 1 12 12 ILE N N 12 120.842 120.842 116.966 3.876 19764 1546 1 9 . 1 1 12 12 ILE HA H 12 3.560 3.560 3.724 -0.164 19764 1547 1 9 . 1 1 12 12 ILE C C 12 176.760 176.760 177.398 -0.638 19764 1548 1 9 . 1 1 12 12 ILE CA C 12 65.194 65.194 64.808 0.386 19764 1549 1 9 . 1 1 12 12 ILE CB C 12 37.587 37.587 38.194 -0.607 19764 1550 1 9 . 1 1 12 12 ILE H H 12 8.536 8.536 8.604 -0.068 19764 1551 1 9 . 1 1 13 13 ASN N N 13 117.647 117.647 118.371 -0.724 19764 1552 1 9 . 1 1 13 13 ASN HA H 13 4.144 4.144 4.291 -0.147 19764 1553 1 9 . 1 1 13 13 ASN C C 13 176.858 176.858 177.471 -0.613 19764 1554 1 9 . 1 1 13 13 ASN CA C 13 57.064 57.064 56.886 0.178 19764 1555 1 9 . 1 1 13 13 ASN CB C 13 38.939 38.939 38.610 0.329 19764 1556 1 9 . 1 1 13 13 ASN H H 13 8.097 8.097 7.978 0.119 19764 1557 1 9 . 1 1 14 14 THR N N 14 114.513 114.513 113.624 0.889 19764 1558 1 9 . 1 1 14 14 THR HA H 14 3.651 3.651 3.910 -0.259 19764 1559 1 9 . 1 1 14 14 THR C C 14 175.252 175.252 176.711 -1.459 19764 1560 1 9 . 1 1 14 14 THR CA C 14 67.551 67.551 65.728 1.823 19764 1561 1 9 . 1 1 14 14 THR CB C 14 67.810 67.810 68.543 -0.733 19764 1562 1 9 . 1 1 14 14 THR H H 14 8.018 8.018 7.541 0.477 19764 1563 1 9 . 1 1 15 15 SER N N 15 117.295 117.295 117.413 -0.118 19764 1564 1 9 . 1 1 15 15 SER HA H 15 3.986 3.986 4.279 -0.293 19764 1565 1 9 . 1 1 15 15 SER C C 15 174.782 174.782 176.191 -1.409 19764 1566 1 9 . 1 1 15 15 SER CA C 15 63.103 63.103 62.285 0.818 19764 1567 1 9 . 1 1 15 15 SER CB C 15 62.684 62.684 62.939 -0.255 19764 1568 1 9 . 1 1 15 15 SER H H 15 7.733 7.733 7.257 0.476 19764 1569 1 9 . 1 1 16 16 ILE N N 16 120.420 120.420 121.935 -1.515 19764 1570 1 9 . 1 1 16 16 ILE HA H 16 3.508 3.508 3.681 -0.173 19764 1571 1 9 . 1 1 16 16 ILE C C 16 176.694 176.694 177.950 -1.256 19764 1572 1 9 . 1 1 16 16 ILE CA C 16 64.887 64.887 65.198 -0.311 19764 1573 1 9 . 1 1 16 16 ILE CB C 16 37.036 37.036 37.781 -0.745 19764 1574 1 9 . 1 1 16 16 ILE H H 16 7.747 7.747 8.134 -0.387 19764 1575 1 9 . 1 1 17 17 LEU N N 17 119.529 119.529 120.252 -0.723 19764 1576 1 9 . 1 1 17 17 LEU HA H 17 4.007 4.007 4.055 -0.048 19764 1577 1 9 . 1 1 17 17 LEU C C 17 178.060 178.060 178.402 -0.342 19764 1578 1 9 . 1 1 17 17 LEU CA C 17 58.262 58.262 57.824 0.438 19764 1579 1 9 . 1 1 17 17 LEU CB C 17 41.525 41.525 42.193 -0.667 19764 1580 1 9 . 1 1 17 17 LEU H H 17 7.677 7.677 7.619 0.058 19764 1581 1 9 . 1 1 18 18 LEU N N 18 117.308 117.308 120.033 -2.725 19764 1582 1 9 . 1 1 18 18 LEU HA H 18 3.929 3.929 3.303 0.626 19764 1583 1 9 . 1 1 18 18 LEU C C 18 178.016 178.016 178.938 -0.922 19764 1584 1 9 . 1 1 18 18 LEU CA C 18 58.168 58.168 57.933 0.235 19764 1585 1 9 . 1 1 18 18 LEU CB C 18 41.416 41.416 41.508 -0.092 19764 1586 1 9 . 1 1 18 18 LEU H H 18 8.087 8.087 8.098 -0.011 19764 1587 1 9 . 1 1 19 19 ILE N N 19 118.636 118.636 119.673 -1.037 19764 1588 1 9 . 1 1 19 19 ILE HA H 19 3.626 3.626 3.670 -0.044 19764 1589 1 9 . 1 1 19 19 ILE C C 19 177.131 177.131 177.685 -0.554 19764 1590 1 9 . 1 1 19 19 ILE CA C 19 65.504 65.504 65.729 -0.225 19764 1591 1 9 . 1 1 19 19 ILE CB C 19 37.242 37.242 37.861 -0.619 19764 1592 1 9 . 1 1 19 19 ILE H H 19 8.108 8.108 8.397 -0.289 19764 1593 1 9 . 1 1 20 20 PHE N N 20 119.349 119.349 119.164 0.185 19764 1594 1 9 . 1 1 20 20 PHE HA H 20 4.204 4.204 4.210 -0.006 19764 1595 1 9 . 1 1 20 20 PHE C C 20 176.771 176.771 178.029 -1.258 19764 1596 1 9 . 1 1 20 20 PHE CA C 20 61.540 61.540 60.207 1.333 19764 1597 1 9 . 1 1 20 20 PHE CB C 20 38.503 38.503 38.663 -0.160 19764 1598 1 9 . 1 1 20 20 PHE H H 20 8.448 8.448 7.447 1.001 19764 1599 1 9 . 1 1 21 21 ILE N N 21 118.342 118.342 120.624 -2.282 19764 1600 1 9 . 1 1 21 21 ILE HA H 21 3.428 3.428 3.569 -0.141 19764 1601 1 9 . 1 1 21 21 ILE C C 21 176.989 176.989 177.727 -0.738 19764 1602 1 9 . 1 1 21 21 ILE CA C 21 65.547 65.547 65.883 -0.336 19764 1603 1 9 . 1 1 21 21 ILE CB C 21 37.354 37.354 37.799 -0.445 19764 1604 1 9 . 1 1 21 21 ILE H H 21 8.485 8.485 8.477 0.008 19764 1605 1 9 . 1 1 22 22 PHE N N 22 119.166 119.166 119.053 0.113 19764 1606 1 9 . 1 1 22 22 PHE HA H 22 4.207 4.207 4.227 -0.020 19764 1607 1 9 . 1 1 22 22 PHE C C 22 176.880 176.880 178.174 -1.294 19764 1608 1 9 . 1 1 22 22 PHE CA C 22 61.174 61.174 61.161 0.013 19764 1609 1 9 . 1 1 22 22 PHE CB C 22 38.432 38.432 37.812 0.620 19764 1610 1 9 . 1 1 22 22 PHE H H 22 8.576 8.576 8.025 0.551 19764 1611 1 9 . 1 1 23 23 ILE N N 23 118.582 118.582 119.020 -0.438 19764 1612 1 9 . 1 1 23 23 ILE HA H 23 3.552 3.552 3.703 -0.151 19764 1613 1 9 . 1 1 23 23 ILE C C 23 177.284 177.284 178.022 -0.738 19764 1614 1 9 . 1 1 23 23 ILE CA C 23 65.453 65.453 66.258 -0.805 19764 1615 1 9 . 1 1 23 23 ILE CB C 23 37.112 37.112 37.831 -0.719 19764 1616 1 9 . 1 1 23 23 ILE H H 23 8.508 8.508 8.487 0.021 19764 1617 1 9 . 1 1 24 24 VAL N N 24 119.194 119.194 118.627 0.567 19764 1618 1 9 . 1 1 24 24 VAL HA H 24 3.446 3.446 3.668 -0.222 19764 1619 1 9 . 1 1 24 24 VAL C C 24 178.060 178.060 177.680 0.380 19764 1620 1 9 . 1 1 24 24 VAL CA C 24 67.298 67.298 66.532 0.766 19764 1621 1 9 . 1 1 24 24 VAL CB C 24 30.785 30.785 31.852 -1.067 19764 1622 1 9 . 1 1 24 24 VAL H H 24 8.212 8.212 7.516 0.696 19764 1623 1 9 . 1 1 25 25 LEU N N 25 119.253 119.253 120.843 -1.590 19764 1624 1 9 . 1 1 25 25 LEU HA H 25 3.956 3.956 3.988 -0.032 19764 1625 1 9 . 1 1 25 25 LEU C C 25 178.574 178.574 179.243 -0.669 19764 1626 1 9 . 1 1 25 25 LEU CA C 25 58.254 58.254 57.866 0.388 19764 1627 1 9 . 1 1 25 25 LEU CB C 25 41.536 41.536 41.702 -0.166 19764 1628 1 9 . 1 1 25 25 LEU H H 25 8.442 8.442 8.115 0.327 19764 1629 1 9 . 1 1 26 26 LEU N N 26 121.151 121.151 119.375 1.776 19764 1630 1 9 . 1 1 26 26 LEU HA H 26 3.915 3.915 4.162 -0.247 19764 1631 1 9 . 1 1 26 26 LEU C C 26 178.770 178.770 179.546 -0.776 19764 1632 1 9 . 1 1 26 26 LEU CA C 26 58.658 58.658 58.299 0.359 19764 1633 1 9 . 1 1 26 26 LEU CB C 26 41.590 41.590 40.639 0.951 19764 1634 1 9 . 1 1 26 26 LEU H H 26 8.639 8.639 8.183 0.456 19764 1635 1 9 . 1 1 27 27 ILE N N 27 118.583 118.583 119.022 -0.439 19764 1636 1 9 . 1 1 27 27 ILE HA H 27 3.551 3.551 3.837 -0.286 19764 1637 1 9 . 1 1 27 27 ILE C C 27 178.333 178.333 178.247 0.086 19764 1638 1 9 . 1 1 27 27 ILE CA C 27 65.199 65.199 65.277 -0.078 19764 1639 1 9 . 1 1 27 27 ILE CB C 27 37.564 37.564 37.884 -0.320 19764 1640 1 9 . 1 1 27 27 ILE H H 27 8.475 8.475 7.363 1.112 19764 1641 1 9 . 1 1 28 28 HIS N N 28 117.341 117.341 119.324 -1.983 19764 1642 1 9 . 1 1 28 28 HIS HA H 28 4.353 4.353 4.484 -0.131 19764 1643 1 9 . 1 1 28 28 HIS C C 28 176.498 176.498 177.714 -1.216 19764 1644 1 9 . 1 1 28 28 HIS CA C 28 59.110 59.110 59.564 -0.454 19764 1645 1 9 . 1 1 28 28 HIS CB C 28 28.024 28.024 29.805 -1.781 19764 1646 1 9 . 1 1 28 28 HIS H H 28 8.415 8.415 7.929 0.486 19764 1647 1 9 . 1 1 29 29 PHE N N 29 115.694 115.694 116.841 -1.147 19764 1648 1 9 . 1 1 29 29 PHE HA H 29 4.337 4.337 4.635 -0.298 19764 1649 1 9 . 1 1 29 29 PHE C C 29 176.924 176.924 177.178 -0.254 19764 1650 1 9 . 1 1 29 29 PHE CA C 29 60.735 60.735 59.683 1.052 19764 1651 1 9 . 1 1 29 29 PHE CB C 29 39.449 39.449 39.515 -0.066 19764 1652 1 9 . 1 1 29 29 PHE H H 29 8.727 8.727 8.002 0.725 19764 1653 1 9 . 1 1 30 30 GLU N N 30 115.099 115.099 118.647 -3.548 19764 1654 1 9 . 1 1 30 30 GLU HA H 30 4.336 4.336 4.382 -0.046 19764 1655 1 9 . 1 1 30 30 GLU C C 30 176.563 176.563 177.284 -0.721 19764 1656 1 9 . 1 1 30 30 GLU CA C 30 55.482 55.482 57.435 -1.953 19764 1657 1 9 . 1 1 30 30 GLU CB C 30 28.002 28.002 30.237 -2.235 19764 1658 1 9 . 1 1 30 30 GLU H H 30 8.319 8.319 8.194 0.125 19764 1659 1 9 . 1 1 31 31 GLY N N 31 107.479 107.479 107.776 -0.297 19764 1660 1 9 . 1 1 31 31 GLY C C 31 173.766 173.766 173.635 0.131 19764 1661 1 9 . 1 1 31 31 GLY CA C 31 45.982 45.982 44.660 1.322 19764 1662 1 9 . 1 1 31 31 GLY H H 31 7.850 7.850 7.882 -0.032 19764 1663 1 9 . 1 1 32 32 TRP N N 32 118.981 118.981 121.061 -2.080 19764 1664 1 9 . 1 1 32 32 TRP HA H 32 4.645 4.645 4.694 -0.049 19764 1665 1 9 . 1 1 32 32 TRP C C 32 175.350 175.350 174.887 0.463 19764 1666 1 9 . 1 1 32 32 TRP CA C 32 56.455 56.455 57.214 -0.759 19764 1667 1 9 . 1 1 32 32 TRP CB C 32 29.033 29.033 31.763 -2.730 19764 1668 1 9 . 1 1 32 32 TRP H H 32 7.530 7.530 7.622 -0.092 19764 1669 1 9 . 1 1 33 33 ARG N N 33 121.186 121.186 122.801 -1.615 19764 1670 1 9 . 1 1 33 33 ARG HA H 33 4.273 4.273 4.049 0.224 19764 1671 1 9 . 1 1 33 33 ARG C C 33 174.990 174.990 175.327 -0.337 19764 1672 1 9 . 1 1 33 33 ARG CA C 33 55.581 55.581 55.424 0.157 19764 1673 1 9 . 1 1 33 33 ARG CB C 33 30.661 30.661 29.868 0.793 19764 1674 1 9 . 1 1 33 33 ARG H H 33 7.926 7.926 8.309 -0.383 19764 1675 1 10 . 1 1 2 2 ASP N N 2 118.854 118.854 122.135 -3.281 19764 1676 1 10 . 1 1 2 2 ASP HA H 2 4.701 4.701 4.935 -0.234 19764 1677 1 10 . 1 1 2 2 ASP C C 2 175.219 175.219 175.921 -0.702 19764 1678 1 10 . 1 1 2 2 ASP CA C 2 53.518 53.518 54.489 -0.971 19764 1679 1 10 . 1 1 2 2 ASP CB C 2 39.533 39.533 42.169 -2.636 19764 1680 1 10 . 1 1 2 2 ASP H H 2 8.445 8.445 8.205 0.240 19764 1681 1 10 . 1 1 3 3 SER N N 3 114.607 114.607 118.051 -3.444 19764 1682 1 10 . 1 1 3 3 SER HA H 3 4.513 4.513 4.698 -0.185 19764 1683 1 10 . 1 1 3 3 SER C C 3 174.542 174.542 175.390 -0.848 19764 1684 1 10 . 1 1 3 3 SER CA C 3 58.447 58.447 57.800 0.647 19764 1685 1 10 . 1 1 3 3 SER CB C 3 63.931 63.931 63.969 -0.038 19764 1686 1 10 . 1 1 3 3 SER H H 3 7.993 7.993 8.618 -0.625 19764 1687 1 10 . 1 1 4 4 ALA N N 4 125.695 125.695 126.916 -1.221 19764 1688 1 10 . 1 1 4 4 ALA HA H 4 4.475 4.475 4.342 0.133 19764 1689 1 10 . 1 1 4 4 ALA CA C 4 54.340 54.340 55.201 -0.861 19764 1690 1 10 . 1 1 4 4 ALA CB C 4 16.965 16.965 16.687 0.278 19764 1691 1 10 . 1 1 4 4 ALA H H 4 8.476 8.476 8.436 0.040 19764 1692 1 10 . 1 1 5 5 PRO HA H 5 4.273 4.273 4.372 -0.099 19764 1693 1 10 . 1 1 5 5 PRO C C 5 177.273 177.273 178.268 -0.995 19764 1694 1 10 . 1 1 5 5 PRO CA C 5 65.399 65.399 65.174 0.226 19764 1695 1 10 . 1 1 5 5 PRO CB C 5 30.875 30.875 31.459 -0.584 19764 1696 1 10 . 1 1 6 6 PHE N N 6 116.345 116.345 118.830 -2.485 19764 1697 1 10 . 1 1 6 6 PHE HA H 6 4.255 4.255 4.424 -0.169 19764 1698 1 10 . 1 1 6 6 PHE C C 6 177.011 177.011 176.952 0.059 19764 1699 1 10 . 1 1 6 6 PHE CA C 6 61.203 61.203 60.718 0.485 19764 1700 1 10 . 1 1 6 6 PHE CB C 6 38.703 38.703 39.472 -0.769 19764 1701 1 10 . 1 1 6 6 PHE H H 6 7.769 7.769 8.190 -0.421 19764 1702 1 10 . 1 1 7 7 GLU N N 7 118.531 118.531 119.933 -1.402 19764 1703 1 10 . 1 1 7 7 GLU HA H 7 3.972 3.972 4.178 -0.206 19764 1704 1 10 . 1 1 7 7 GLU C C 7 177.743 177.743 179.366 -1.623 19764 1705 1 10 . 1 1 7 7 GLU CA C 7 59.818 59.818 59.512 0.306 19764 1706 1 10 . 1 1 7 7 GLU CB C 7 28.080 28.080 29.470 -1.390 19764 1707 1 10 . 1 1 7 7 GLU H H 7 8.334 8.334 7.910 0.424 19764 1708 1 10 . 1 1 8 8 LEU N N 8 119.001 119.001 119.352 -0.351 19764 1709 1 10 . 1 1 8 8 LEU HA H 8 4.112 4.112 4.127 -0.015 19764 1710 1 10 . 1 1 8 8 LEU C C 8 177.995 177.995 178.938 -0.943 19764 1711 1 10 . 1 1 8 8 LEU CA C 8 58.093 58.093 57.587 0.506 19764 1712 1 10 . 1 1 8 8 LEU CB C 8 41.424 41.424 40.991 0.433 19764 1713 1 10 . 1 1 8 8 LEU H H 8 8.254 8.254 7.595 0.659 19764 1714 1 10 . 1 1 9 9 PHE N N 9 118.536 118.536 119.690 -1.154 19764 1715 1 10 . 1 1 9 9 PHE HA H 9 4.071 4.071 3.987 0.084 19764 1716 1 10 . 1 1 9 9 PHE C C 9 177.219 177.219 177.232 -0.013 19764 1717 1 10 . 1 1 9 9 PHE CA C 9 61.496 61.496 61.862 -0.366 19764 1718 1 10 . 1 1 9 9 PHE CB C 9 38.768 38.768 38.753 0.015 19764 1719 1 10 . 1 1 9 9 PHE H H 9 8.148 8.148 7.580 0.568 19764 1720 1 10 . 1 1 10 10 PHE N N 10 119.124 119.124 118.579 0.545 19764 1721 1 10 . 1 1 10 10 PHE HA H 10 4.067 4.067 4.338 -0.271 19764 1722 1 10 . 1 1 10 10 PHE CA C 10 61.545 61.545 61.004 0.541 19764 1723 1 10 . 1 1 10 10 PHE CB C 10 38.850 38.850 39.322 -0.472 19764 1724 1 10 . 1 1 10 10 PHE H H 10 8.572 8.572 7.811 0.761 19764 1725 1 10 . 1 1 11 11 MET N N 11 120.911 120.911 118.273 2.638 19764 1726 1 10 . 1 1 11 11 MET HA H 11 4.019 4.019 4.119 -0.100 19764 1727 1 10 . 1 1 11 11 MET C C 11 178.246 178.246 177.190 1.056 19764 1728 1 10 . 1 1 11 11 MET CA C 11 59.255 59.255 58.734 0.521 19764 1729 1 10 . 1 1 11 11 MET CB C 11 32.680 32.680 32.658 0.022 19764 1730 1 10 . 1 1 11 11 MET H H 11 8.555 8.555 7.361 1.194 19764 1731 1 10 . 1 1 12 12 ILE N N 12 120.842 120.842 118.099 2.743 19764 1732 1 10 . 1 1 12 12 ILE HA H 12 3.560 3.560 3.554 0.006 19764 1733 1 10 . 1 1 12 12 ILE C C 12 176.760 176.760 177.132 -0.372 19764 1734 1 10 . 1 1 12 12 ILE CA C 12 65.194 65.194 64.999 0.195 19764 1735 1 10 . 1 1 12 12 ILE CB C 12 37.587 37.587 37.954 -0.367 19764 1736 1 10 . 1 1 12 12 ILE H H 12 8.536 8.536 7.862 0.674 19764 1737 1 10 . 1 1 13 13 ASN N N 13 117.647 117.647 117.484 0.163 19764 1738 1 10 . 1 1 13 13 ASN HA H 13 4.144 4.144 4.147 -0.003 19764 1739 1 10 . 1 1 13 13 ASN C C 13 176.858 176.858 177.529 -0.671 19764 1740 1 10 . 1 1 13 13 ASN CA C 13 57.064 57.064 56.442 0.622 19764 1741 1 10 . 1 1 13 13 ASN CB C 13 38.939 38.939 38.629 0.310 19764 1742 1 10 . 1 1 13 13 ASN H H 13 8.097 8.097 7.480 0.617 19764 1743 1 10 . 1 1 14 14 THR N N 14 114.513 114.513 113.698 0.815 19764 1744 1 10 . 1 1 14 14 THR HA H 14 3.651 3.651 3.881 -0.230 19764 1745 1 10 . 1 1 14 14 THR C C 14 175.252 175.252 176.465 -1.213 19764 1746 1 10 . 1 1 14 14 THR CA C 14 67.551 67.551 65.019 2.532 19764 1747 1 10 . 1 1 14 14 THR CB C 14 67.810 67.810 68.479 -0.669 19764 1748 1 10 . 1 1 14 14 THR H H 14 8.018 8.018 7.407 0.611 19764 1749 1 10 . 1 1 15 15 SER N N 15 117.295 117.295 117.786 -0.491 19764 1750 1 10 . 1 1 15 15 SER HA H 15 3.986 3.986 4.220 -0.234 19764 1751 1 10 . 1 1 15 15 SER C C 15 174.782 174.782 176.129 -1.347 19764 1752 1 10 . 1 1 15 15 SER CA C 15 63.103 63.103 62.244 0.859 19764 1753 1 10 . 1 1 15 15 SER CB C 15 62.684 62.684 62.912 -0.228 19764 1754 1 10 . 1 1 15 15 SER H H 15 7.733 7.733 7.528 0.205 19764 1755 1 10 . 1 1 16 16 ILE N N 16 120.420 120.420 121.583 -1.163 19764 1756 1 10 . 1 1 16 16 ILE HA H 16 3.508 3.508 3.701 -0.193 19764 1757 1 10 . 1 1 16 16 ILE C C 16 176.694 176.694 177.783 -1.089 19764 1758 1 10 . 1 1 16 16 ILE CA C 16 64.887 64.887 65.078 -0.191 19764 1759 1 10 . 1 1 16 16 ILE CB C 16 37.036 37.036 37.715 -0.679 19764 1760 1 10 . 1 1 16 16 ILE H H 16 7.747 7.747 7.641 0.106 19764 1761 1 10 . 1 1 17 17 LEU N N 17 119.529 119.529 120.063 -0.534 19764 1762 1 10 . 1 1 17 17 LEU HA H 17 4.007 4.007 3.999 0.008 19764 1763 1 10 . 1 1 17 17 LEU C C 17 178.060 178.060 178.307 -0.247 19764 1764 1 10 . 1 1 17 17 LEU CA C 17 58.262 58.262 57.845 0.417 19764 1765 1 10 . 1 1 17 17 LEU CB C 17 41.525 41.525 42.074 -0.548 19764 1766 1 10 . 1 1 17 17 LEU H H 17 7.677 7.677 7.379 0.298 19764 1767 1 10 . 1 1 18 18 LEU N N 18 117.308 117.308 120.037 -2.729 19764 1768 1 10 . 1 1 18 18 LEU HA H 18 3.929 3.929 3.311 0.618 19764 1769 1 10 . 1 1 18 18 LEU C C 18 178.016 178.016 178.882 -0.866 19764 1770 1 10 . 1 1 18 18 LEU CA C 18 58.168 58.168 57.926 0.242 19764 1771 1 10 . 1 1 18 18 LEU CB C 18 41.416 41.416 41.504 -0.088 19764 1772 1 10 . 1 1 18 18 LEU H H 18 8.087 8.087 8.055 0.032 19764 1773 1 10 . 1 1 19 19 ILE N N 19 118.636 118.636 119.386 -0.750 19764 1774 1 10 . 1 1 19 19 ILE HA H 19 3.626 3.626 3.621 0.005 19764 1775 1 10 . 1 1 19 19 ILE C C 19 177.131 177.131 177.653 -0.522 19764 1776 1 10 . 1 1 19 19 ILE CA C 19 65.504 65.504 65.692 -0.188 19764 1777 1 10 . 1 1 19 19 ILE CB C 19 37.242 37.242 37.840 -0.598 19764 1778 1 10 . 1 1 19 19 ILE H H 19 8.108 8.108 8.356 -0.248 19764 1779 1 10 . 1 1 20 20 PHE N N 20 119.349 119.349 119.453 -0.104 19764 1780 1 10 . 1 1 20 20 PHE HA H 20 4.204 4.204 4.118 0.086 19764 1781 1 10 . 1 1 20 20 PHE C C 20 176.771 176.771 177.823 -1.052 19764 1782 1 10 . 1 1 20 20 PHE CA C 20 61.540 61.540 61.696 -0.156 19764 1783 1 10 . 1 1 20 20 PHE CB C 20 38.503 38.503 38.980 -0.477 19764 1784 1 10 . 1 1 20 20 PHE H H 20 8.448 8.448 7.439 1.009 19764 1785 1 10 . 1 1 21 21 ILE N N 21 118.342 118.342 120.437 -2.095 19764 1786 1 10 . 1 1 21 21 ILE HA H 21 3.428 3.428 3.572 -0.144 19764 1787 1 10 . 1 1 21 21 ILE C C 21 176.989 176.989 177.735 -0.746 19764 1788 1 10 . 1 1 21 21 ILE CA C 21 65.547 65.547 65.918 -0.371 19764 1789 1 10 . 1 1 21 21 ILE CB C 21 37.354 37.354 37.762 -0.408 19764 1790 1 10 . 1 1 21 21 ILE H H 21 8.485 8.485 8.521 -0.036 19764 1791 1 10 . 1 1 22 22 PHE N N 22 119.166 119.166 118.237 0.929 19764 1792 1 10 . 1 1 22 22 PHE HA H 22 4.207 4.207 4.347 -0.140 19764 1793 1 10 . 1 1 22 22 PHE C C 22 176.880 176.880 178.160 -1.280 19764 1794 1 10 . 1 1 22 22 PHE CA C 22 61.174 61.174 60.033 1.141 19764 1795 1 10 . 1 1 22 22 PHE CB C 22 38.432 38.432 38.146 0.286 19764 1796 1 10 . 1 1 22 22 PHE H H 22 8.576 8.576 7.836 0.740 19764 1797 1 10 . 1 1 23 23 ILE N N 23 118.582 118.582 120.038 -1.456 19764 1798 1 10 . 1 1 23 23 ILE HA H 23 3.552 3.552 3.772 -0.220 19764 1799 1 10 . 1 1 23 23 ILE C C 23 177.284 177.284 177.530 -0.246 19764 1800 1 10 . 1 1 23 23 ILE CA C 23 65.453 65.453 65.031 0.422 19764 1801 1 10 . 1 1 23 23 ILE CB C 23 37.112 37.112 37.472 -0.360 19764 1802 1 10 . 1 1 23 23 ILE H H 23 8.508 8.508 8.637 -0.129 19764 1803 1 10 . 1 1 24 24 VAL N N 24 119.194 119.194 119.647 -0.453 19764 1804 1 10 . 1 1 24 24 VAL HA H 24 3.446 3.446 3.653 -0.207 19764 1805 1 10 . 1 1 24 24 VAL C C 24 178.060 178.060 177.624 0.436 19764 1806 1 10 . 1 1 24 24 VAL CA C 24 67.298 67.298 65.980 1.318 19764 1807 1 10 . 1 1 24 24 VAL CB C 24 30.785 30.785 31.454 -0.669 19764 1808 1 10 . 1 1 24 24 VAL H H 24 8.212 8.212 7.709 0.503 19764 1809 1 10 . 1 1 25 25 LEU N N 25 119.253 119.253 119.806 -0.553 19764 1810 1 10 . 1 1 25 25 LEU HA H 25 3.956 3.956 3.951 0.005 19764 1811 1 10 . 1 1 25 25 LEU C C 25 178.574 178.574 179.279 -0.705 19764 1812 1 10 . 1 1 25 25 LEU CA C 25 58.254 58.254 57.901 0.353 19764 1813 1 10 . 1 1 25 25 LEU CB C 25 41.536 41.536 41.420 0.116 19764 1814 1 10 . 1 1 25 25 LEU H H 25 8.442 8.442 7.539 0.903 19764 1815 1 10 . 1 1 26 26 LEU N N 26 121.151 121.151 119.617 1.534 19764 1816 1 10 . 1 1 26 26 LEU HA H 26 3.915 3.915 4.071 -0.156 19764 1817 1 10 . 1 1 26 26 LEU C C 26 178.770 178.770 179.557 -0.787 19764 1818 1 10 . 1 1 26 26 LEU CA C 26 58.658 58.658 58.509 0.149 19764 1819 1 10 . 1 1 26 26 LEU CB C 26 41.590 41.590 40.624 0.966 19764 1820 1 10 . 1 1 26 26 LEU H H 26 8.639 8.639 7.502 1.137 19764 1821 1 10 . 1 1 27 27 ILE N N 27 118.583 118.583 118.742 -0.159 19764 1822 1 10 . 1 1 27 27 ILE HA H 27 3.551 3.551 3.572 -0.021 19764 1823 1 10 . 1 1 27 27 ILE C C 27 178.333 178.333 178.025 0.308 19764 1824 1 10 . 1 1 27 27 ILE CA C 27 65.199 65.199 65.388 -0.189 19764 1825 1 10 . 1 1 27 27 ILE CB C 27 37.564 37.564 37.552 0.012 19764 1826 1 10 . 1 1 27 27 ILE H H 27 8.475 8.475 7.440 1.035 19764 1827 1 10 . 1 1 28 28 HIS N N 28 117.341 117.341 118.855 -1.514 19764 1828 1 10 . 1 1 28 28 HIS HA H 28 4.353 4.353 4.246 0.107 19764 1829 1 10 . 1 1 28 28 HIS C C 28 176.498 176.498 177.615 -1.117 19764 1830 1 10 . 1 1 28 28 HIS CA C 28 59.110 59.110 59.429 -0.319 19764 1831 1 10 . 1 1 28 28 HIS CB C 28 28.024 28.024 29.544 -1.520 19764 1832 1 10 . 1 1 28 28 HIS H H 28 8.415 8.415 7.930 0.485 19764 1833 1 10 . 1 1 29 29 PHE N N 29 115.694 115.694 116.364 -0.670 19764 1834 1 10 . 1 1 29 29 PHE HA H 29 4.337 4.337 4.376 -0.039 19764 1835 1 10 . 1 1 29 29 PHE C C 29 176.924 176.924 176.597 0.327 19764 1836 1 10 . 1 1 29 29 PHE CA C 29 60.735 60.735 58.791 1.944 19764 1837 1 10 . 1 1 29 29 PHE CB C 29 39.449 39.449 39.463 -0.014 19764 1838 1 10 . 1 1 29 29 PHE H H 29 8.727 8.727 7.870 0.857 19764 1839 1 10 . 1 1 30 30 GLU N N 30 115.099 115.099 119.418 -4.319 19764 1840 1 10 . 1 1 30 30 GLU HA H 30 4.336 4.336 4.266 0.070 19764 1841 1 10 . 1 1 30 30 GLU C C 30 176.563 176.563 177.735 -1.172 19764 1842 1 10 . 1 1 30 30 GLU CA C 30 55.482 55.482 57.006 -1.524 19764 1843 1 10 . 1 1 30 30 GLU CB C 30 28.002 28.002 29.696 -1.694 19764 1844 1 10 . 1 1 30 30 GLU H H 30 8.319 8.319 8.196 0.123 19764 1845 1 10 . 1 1 31 31 GLY N N 31 107.479 107.479 107.490 -0.011 19764 1846 1 10 . 1 1 31 31 GLY C C 31 173.766 173.766 173.829 -0.063 19764 1847 1 10 . 1 1 31 31 GLY CA C 31 45.982 45.982 44.567 1.415 19764 1848 1 10 . 1 1 31 31 GLY H H 31 7.850 7.850 7.754 0.096 19764 1849 1 10 . 1 1 32 32 TRP N N 32 118.981 118.981 121.889 -2.908 19764 1850 1 10 . 1 1 32 32 TRP HA H 32 4.645 4.645 4.831 -0.186 19764 1851 1 10 . 1 1 32 32 TRP C C 32 175.350 175.350 175.370 -0.020 19764 1852 1 10 . 1 1 32 32 TRP CA C 32 56.455 56.455 56.926 -0.471 19764 1853 1 10 . 1 1 32 32 TRP CB C 32 29.033 29.033 30.966 -1.933 19764 1854 1 10 . 1 1 32 32 TRP H H 32 7.530 7.530 7.662 -0.132 19764 1855 1 10 . 1 1 33 33 ARG N N 33 121.186 121.186 118.488 2.698 19764 1856 1 10 . 1 1 33 33 ARG HA H 33 4.273 4.273 4.594 -0.321 19764 1857 1 10 . 1 1 33 33 ARG C C 33 174.990 174.990 175.257 -0.267 19764 1858 1 10 . 1 1 33 33 ARG CA C 33 55.581 55.581 55.509 0.072 19764 1859 1 10 . 1 1 33 33 ARG CB C 33 30.661 30.661 28.832 1.829 19764 1860 1 10 . 1 1 33 33 ARG H H 33 7.926 7.926 8.186 -0.260 19764 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 31 1.834 0.656 1.741 19764 2 1 1 "Average Difference" HA 33 0.162 0.042 0.159 19764 3 1 1 "Average Difference" C 30 0.902 0.640 0.647 19764 4 1 1 "Average Difference" CA 32 0.852 -0.223 0.835 19764 5 1 1 "Average Difference" CB 31 0.927 0.318 0.885 19764 6 1 1 "Average Difference" HN 31 0.534 -0.286 0.459 19764 7 1 2 "Average Difference" N 31 1.850 1.067 1.536 19764 8 1 2 "Average Difference" HA 33 0.183 0.040 0.182 19764 9 1 2 "Average Difference" C 30 0.813 0.580 0.580 19764 10 1 2 "Average Difference" CA 32 0.800 -0.152 0.798 19764 11 1 2 "Average Difference" CB 31 1.042 0.435 0.963 19764 12 1 2 "Average Difference" HN 31 0.555 -0.238 0.509 19764 13 1 3 "Average Difference" N 31 1.737 0.745 1.596 19764 14 1 3 "Average Difference" HA 33 0.203 0.065 0.195 19764 15 1 3 "Average Difference" C 30 0.841 0.672 0.514 19764 16 1 3 "Average Difference" CA 32 0.858 -0.201 0.847 19764 17 1 3 "Average Difference" CB 31 0.948 0.398 0.875 19764 18 1 3 "Average Difference" HN 31 0.575 -0.340 0.472 19764 19 1 4 "Average Difference" N 31 1.664 0.698 1.535 19764 20 1 4 "Average Difference" HA 33 0.159 0.038 0.157 19764 21 1 4 "Average Difference" C 30 0.790 0.484 0.636 19764 22 1 4 "Average Difference" CA 32 0.765 -0.239 0.738 19764 23 1 4 "Average Difference" CB 31 0.873 0.429 0.774 19764 24 1 4 "Average Difference" HN 31 0.567 -0.344 0.458 19764 25 1 5 "Average Difference" N 31 1.620 0.644 1.511 19764 26 1 5 "Average Difference" HA 33 0.179 0.062 0.171 19764 27 1 5 "Average Difference" C 30 0.815 0.584 0.578 19764 28 1 5 "Average Difference" CA 32 0.872 -0.298 0.833 19764 29 1 5 "Average Difference" CB 31 0.964 0.392 0.895 19764 30 1 5 "Average Difference" HN 31 0.605 -0.396 0.464 19764 31 1 6 "Average Difference" N 31 1.741 1.054 1.409 19764 32 1 6 "Average Difference" HA 33 0.192 0.071 0.181 19764 33 1 6 "Average Difference" C 30 0.883 0.580 0.676 19764 34 1 6 "Average Difference" CA 32 0.809 -0.156 0.807 19764 35 1 6 "Average Difference" CB 31 0.980 0.441 0.889 19764 36 1 6 "Average Difference" HN 31 0.542 -0.279 0.472 19764 37 1 7 "Average Difference" N 31 1.748 0.702 1.627 19764 38 1 7 "Average Difference" HA 33 0.171 0.080 0.153 19764 39 1 7 "Average Difference" C 30 0.859 0.632 0.592 19764 40 1 7 "Average Difference" CA 32 0.761 -0.107 0.766 19764 41 1 7 "Average Difference" CB 31 0.931 0.429 0.840 19764 42 1 7 "Average Difference" HN 31 0.551 -0.284 0.480 19764 43 1 8 "Average Difference" N 31 1.858 0.764 1.722 19764 44 1 8 "Average Difference" HA 33 0.215 0.038 0.215 19764 45 1 8 "Average Difference" C 30 0.816 0.615 0.544 19764 46 1 8 "Average Difference" CA 32 1.057 -0.108 1.068 19764 47 1 8 "Average Difference" CB 31 0.938 0.326 0.895 19764 48 1 8 "Average Difference" HN 31 0.515 -0.304 0.423 19764 49 1 9 "Average Difference" N 31 1.830 0.821 1.662 19764 50 1 9 "Average Difference" HA 33 0.221 0.104 0.198 19764 51 1 9 "Average Difference" C 30 0.837 0.633 0.556 19764 52 1 9 "Average Difference" CA 32 0.815 -0.132 0.817 19764 53 1 9 "Average Difference" CB 31 1.055 0.524 0.930 19764 54 1 9 "Average Difference" HN 31 0.495 -0.237 0.441 19764 55 1 10 "Average Difference" N 31 1.853 0.683 1.751 19764 56 1 10 "Average Difference" HA 33 0.187 0.069 0.176 19764 57 1 10 "Average Difference" C 30 0.828 0.557 0.622 19764 58 1 10 "Average Difference" CA 32 0.853 -0.291 0.815 19764 59 1 10 "Average Difference" CB 31 0.923 0.383 0.854 19764 60 1 10 "Average Difference" HN 31 0.598 -0.370 0.477 19764 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 19764 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ASP N N 2 118.854 118.854 121.930 -3.076 19764 2 1 . 1 1 2 2 ASP HA H 2 4.701 4.701 4.910 -0.209 19764 3 1 . 1 1 2 2 ASP C C 2 175.219 175.219 175.719 -0.500 19764 4 1 . 1 1 2 2 ASP CA C 2 53.518 53.518 54.612 -1.094 19764 5 1 . 1 1 2 2 ASP CB C 2 39.533 39.533 42.315 -2.782 19764 6 1 . 1 1 2 2 ASP H H 2 8.445 8.445 8.252 0.193 19764 7 1 . 1 1 3 3 SER N N 3 114.607 114.607 118.214 -3.607 19764 8 1 . 1 1 3 3 SER HA H 3 4.513 4.513 4.834 -0.321 19764 9 1 . 1 1 3 3 SER C C 3 174.542 174.542 175.132 -0.589 19764 10 1 . 1 1 3 3 SER CA C 3 58.447 58.447 57.890 0.557 19764 11 1 . 1 1 3 3 SER CB C 3 63.931 63.931 63.990 -0.059 19764 12 1 . 1 1 3 3 SER H H 3 7.993 7.993 8.534 -0.541 19764 13 1 . 1 1 4 4 ALA N N 4 125.695 125.695 126.427 -0.732 19764 14 1 . 1 1 4 4 ALA HA H 4 4.475 4.475 4.388 0.087 19764 15 1 . 1 1 4 4 ALA CA C 4 54.340 54.340 55.258 -0.918 19764 16 1 . 1 1 4 4 ALA CB C 4 16.965 16.965 16.795 0.170 19764 17 1 . 1 1 4 4 ALA H H 4 8.476 8.476 8.348 0.128 19764 18 1 . 1 1 5 5 PRO HA H 5 4.273 4.273 4.315 -0.042 19764 19 1 . 1 1 5 5 PRO C C 5 177.273 177.273 178.289 -1.016 19764 20 1 . 1 1 5 5 PRO CA C 5 65.399 65.399 65.103 0.296 19764 21 1 . 1 1 5 5 PRO CB C 5 30.875 30.875 31.420 -0.545 19764 22 1 . 1 1 6 6 PHE N N 6 116.345 116.345 117.990 -1.645 19764 23 1 . 1 1 6 6 PHE HA H 6 4.255 4.255 4.480 -0.225 19764 24 1 . 1 1 6 6 PHE C C 6 177.011 177.011 177.718 -0.707 19764 25 1 . 1 1 6 6 PHE CA C 6 61.203 61.203 60.620 0.583 19764 26 1 . 1 1 6 6 PHE CB C 6 38.703 38.703 38.948 -0.245 19764 27 1 . 1 1 6 6 PHE H H 6 7.769 7.769 8.188 -0.419 19764 28 1 . 1 1 7 7 GLU N N 7 118.531 118.531 120.310 -1.779 19764 29 1 . 1 1 7 7 GLU HA H 7 3.972 3.972 4.118 -0.146 19764 30 1 . 1 1 7 7 GLU C C 7 177.743 177.743 179.147 -1.404 19764 31 1 . 1 1 7 7 GLU CA C 7 59.818 59.818 59.437 0.381 19764 32 1 . 1 1 7 7 GLU CB C 7 28.080 28.080 29.502 -1.422 19764 33 1 . 1 1 7 7 GLU H H 7 8.334 8.334 7.864 0.470 19764 34 1 . 1 1 8 8 LEU N N 8 119.001 119.001 120.114 -1.113 19764 35 1 . 1 1 8 8 LEU HA H 8 4.112 4.112 4.086 0.026 19764 36 1 . 1 1 8 8 LEU C C 8 177.995 177.995 178.795 -0.800 19764 37 1 . 1 1 8 8 LEU CA C 8 58.093 58.093 57.820 0.273 19764 38 1 . 1 1 8 8 LEU CB C 8 41.424 41.424 41.212 0.212 19764 39 1 . 1 1 8 8 LEU H H 8 8.254 8.254 7.622 0.632 19764 40 1 . 1 1 9 9 PHE N N 9 118.536 118.536 119.170 -0.634 19764 41 1 . 1 1 9 9 PHE HA H 9 4.071 4.071 4.074 -0.003 19764 42 1 . 1 1 9 9 PHE C C 9 177.219 177.219 177.663 -0.444 19764 43 1 . 1 1 9 9 PHE CA C 9 61.496 61.496 61.986 -0.490 19764 44 1 . 1 1 9 9 PHE CB C 9 38.768 38.768 38.665 0.102 19764 45 1 . 1 1 9 9 PHE H H 9 8.148 8.148 7.733 0.415 19764 46 1 . 1 1 10 10 PHE N N 10 119.124 119.124 118.985 0.139 19764 47 1 . 1 1 10 10 PHE HA H 10 4.067 4.067 4.228 -0.161 19764 48 1 . 1 1 10 10 PHE CA C 10 61.545 61.545 61.158 0.387 19764 49 1 . 1 1 10 10 PHE CB C 10 38.850 38.850 39.201 -0.351 19764 50 1 . 1 1 10 10 PHE H H 10 8.572 8.572 7.997 0.575 19764 51 1 . 1 1 11 11 MET N N 11 120.911 120.911 118.743 2.168 19764 52 1 . 1 1 11 11 MET HA H 11 4.019 4.019 4.130 -0.111 19764 53 1 . 1 1 11 11 MET C C 11 178.246 178.246 177.716 0.530 19764 54 1 . 1 1 11 11 MET CA C 11 59.255 59.255 58.714 0.541 19764 55 1 . 1 1 11 11 MET CB C 11 32.680 32.680 32.375 0.305 19764 56 1 . 1 1 11 11 MET H H 11 8.555 8.555 7.481 1.074 19764 57 1 . 1 1 12 12 ILE N N 12 120.842 120.842 118.526 2.315 19764 58 1 . 1 1 12 12 ILE HA H 12 3.560 3.560 3.604 -0.044 19764 59 1 . 1 1 12 12 ILE C C 12 176.760 176.760 177.300 -0.540 19764 60 1 . 1 1 12 12 ILE CA C 12 65.194 65.194 65.136 0.058 19764 61 1 . 1 1 12 12 ILE CB C 12 37.587 37.587 37.890 -0.303 19764 62 1 . 1 1 12 12 ILE H H 12 8.536 8.536 8.261 0.275 19764 63 1 . 1 1 13 13 ASN N N 13 117.647 117.647 117.914 -0.267 19764 64 1 . 1 1 13 13 ASN HA H 13 4.144 4.144 4.219 -0.075 19764 65 1 . 1 1 13 13 ASN C C 13 176.858 176.858 177.589 -0.731 19764 66 1 . 1 1 13 13 ASN CA C 13 57.064 57.064 56.648 0.416 19764 67 1 . 1 1 13 13 ASN CB C 13 38.939 38.939 38.350 0.589 19764 68 1 . 1 1 13 13 ASN H H 13 8.097 8.097 7.858 0.239 19764 69 1 . 1 1 14 14 THR N N 14 114.513 114.513 114.744 -0.231 19764 70 1 . 1 1 14 14 THR HA H 14 3.651 3.651 3.808 -0.157 19764 71 1 . 1 1 14 14 THR C C 14 175.252 175.252 176.552 -1.300 19764 72 1 . 1 1 14 14 THR CA C 14 67.551 67.551 65.573 1.978 19764 73 1 . 1 1 14 14 THR CB C 14 67.810 67.810 68.148 -0.338 19764 74 1 . 1 1 14 14 THR H H 14 8.018 8.018 7.506 0.512 19764 75 1 . 1 1 15 15 SER N N 15 117.295 117.295 117.645 -0.350 19764 76 1 . 1 1 15 15 SER HA H 15 3.986 3.986 4.219 -0.233 19764 77 1 . 1 1 15 15 SER C C 15 174.782 174.782 176.279 -1.497 19764 78 1 . 1 1 15 15 SER CA C 15 63.103 63.103 61.970 1.133 19764 79 1 . 1 1 15 15 SER CB C 15 62.684 62.684 62.849 -0.165 19764 80 1 . 1 1 15 15 SER H H 15 7.733 7.733 7.390 0.343 19764 81 1 . 1 1 16 16 ILE N N 16 120.420 120.420 121.860 -1.440 19764 82 1 . 1 1 16 16 ILE HA H 16 3.508 3.508 3.672 -0.164 19764 83 1 . 1 1 16 16 ILE C C 16 176.694 176.694 177.979 -1.285 19764 84 1 . 1 1 16 16 ILE CA C 16 64.887 64.887 65.077 -0.190 19764 85 1 . 1 1 16 16 ILE CB C 16 37.036 37.036 37.711 -0.675 19764 86 1 . 1 1 16 16 ILE H H 16 7.747 7.747 7.835 -0.088 19764 87 1 . 1 1 17 17 LEU N N 17 119.529 119.529 120.212 -0.683 19764 88 1 . 1 1 17 17 LEU HA H 17 4.007 4.007 4.034 -0.027 19764 89 1 . 1 1 17 17 LEU C C 17 178.060 178.060 178.412 -0.352 19764 90 1 . 1 1 17 17 LEU CA C 17 58.262 58.262 57.840 0.422 19764 91 1 . 1 1 17 17 LEU CB C 17 41.525 41.525 42.177 -0.652 19764 92 1 . 1 1 17 17 LEU H H 17 7.677 7.677 7.619 0.058 19764 93 1 . 1 1 18 18 LEU N N 18 117.308 117.308 120.016 -2.708 19764 94 1 . 1 1 18 18 LEU HA H 18 3.929 3.929 3.309 0.620 19764 95 1 . 1 1 18 18 LEU C C 18 178.016 178.016 178.907 -0.891 19764 96 1 . 1 1 18 18 LEU CA C 18 58.168 58.168 57.925 0.243 19764 97 1 . 1 1 18 18 LEU CB C 18 41.416 41.416 41.493 -0.077 19764 98 1 . 1 1 18 18 LEU H H 18 8.087 8.087 8.095 -0.008 19764 99 1 . 1 1 19 19 ILE N N 19 118.636 118.636 119.438 -0.802 19764 100 1 . 1 1 19 19 ILE HA H 19 3.626 3.626 3.646 -0.020 19764 101 1 . 1 1 19 19 ILE C C 19 177.131 177.131 177.573 -0.442 19764 102 1 . 1 1 19 19 ILE CA C 19 65.504 65.504 65.793 -0.289 19764 103 1 . 1 1 19 19 ILE CB C 19 37.242 37.242 37.896 -0.654 19764 104 1 . 1 1 19 19 ILE H H 19 8.108 8.108 8.482 -0.374 19764 105 1 . 1 1 20 20 PHE N N 20 119.349 119.349 119.442 -0.093 19764 106 1 . 1 1 20 20 PHE HA H 20 4.204 4.204 4.171 0.033 19764 107 1 . 1 1 20 20 PHE C C 20 176.771 176.771 177.744 -0.973 19764 108 1 . 1 1 20 20 PHE CA C 20 61.540 61.540 61.025 0.515 19764 109 1 . 1 1 20 20 PHE CB C 20 38.503 38.503 38.990 -0.487 19764 110 1 . 1 1 20 20 PHE H H 20 8.448 8.448 7.470 0.978 19764 111 1 . 1 1 21 21 ILE N N 21 118.342 118.342 120.480 -2.138 19764 112 1 . 1 1 21 21 ILE HA H 21 3.428 3.428 3.458 -0.030 19764 113 1 . 1 1 21 21 ILE C C 21 176.989 176.989 177.680 -0.691 19764 114 1 . 1 1 21 21 ILE CA C 21 65.547 65.547 65.751 -0.204 19764 115 1 . 1 1 21 21 ILE CB C 21 37.354 37.354 37.735 -0.382 19764 116 1 . 1 1 21 21 ILE H H 21 8.485 8.485 8.403 0.082 19764 117 1 . 1 1 22 22 PHE N N 22 119.166 119.166 118.730 0.436 19764 118 1 . 1 1 22 22 PHE HA H 22 4.207 4.207 4.269 -0.062 19764 119 1 . 1 1 22 22 PHE C C 22 176.880 176.880 178.022 -1.142 19764 120 1 . 1 1 22 22 PHE CA C 22 61.174 61.174 60.670 0.504 19764 121 1 . 1 1 22 22 PHE CB C 22 38.432 38.432 38.013 0.419 19764 122 1 . 1 1 22 22 PHE H H 22 8.576 8.576 7.949 0.628 19764 123 1 . 1 1 23 23 ILE N N 23 118.582 118.582 119.482 -0.900 19764 124 1 . 1 1 23 23 ILE HA H 23 3.552 3.552 3.725 -0.173 19764 125 1 . 1 1 23 23 ILE C C 23 177.284 177.284 177.748 -0.464 19764 126 1 . 1 1 23 23 ILE CA C 23 65.453 65.453 65.719 -0.266 19764 127 1 . 1 1 23 23 ILE CB C 23 37.112 37.112 37.731 -0.619 19764 128 1 . 1 1 23 23 ILE H H 23 8.508 8.508 8.548 -0.040 19764 129 1 . 1 1 24 24 VAL N N 24 119.194 119.194 118.789 0.405 19764 130 1 . 1 1 24 24 VAL HA H 24 3.446 3.446 3.539 -0.093 19764 131 1 . 1 1 24 24 VAL C C 24 178.060 178.060 177.587 0.474 19764 132 1 . 1 1 24 24 VAL CA C 24 67.298 67.298 66.235 1.063 19764 133 1 . 1 1 24 24 VAL CB C 24 30.785 30.785 31.336 -0.551 19764 134 1 . 1 1 24 24 VAL H H 24 8.212 8.212 7.410 0.802 19764 135 1 . 1 1 25 25 LEU N N 25 119.253 119.253 120.485 -1.232 19764 136 1 . 1 1 25 25 LEU HA H 25 3.956 3.956 3.945 0.011 19764 137 1 . 1 1 25 25 LEU C C 25 178.574 178.574 179.401 -0.827 19764 138 1 . 1 1 25 25 LEU CA C 25 58.254 58.254 57.821 0.433 19764 139 1 . 1 1 25 25 LEU CB C 25 41.536 41.536 41.614 -0.078 19764 140 1 . 1 1 25 25 LEU H H 25 8.442 8.442 7.681 0.762 19764 141 1 . 1 1 26 26 LEU N N 26 121.151 121.151 119.714 1.437 19764 142 1 . 1 1 26 26 LEU HA H 26 3.915 3.915 4.085 -0.170 19764 143 1 . 1 1 26 26 LEU C C 26 178.770 178.770 179.383 -0.613 19764 144 1 . 1 1 26 26 LEU CA C 26 58.658 58.658 58.456 0.202 19764 145 1 . 1 1 26 26 LEU CB C 26 41.590 41.590 40.962 0.628 19764 146 1 . 1 1 26 26 LEU H H 26 8.639 8.639 8.074 0.565 19764 147 1 . 1 1 27 27 ILE N N 27 118.583 118.583 118.721 -0.138 19764 148 1 . 1 1 27 27 ILE HA H 27 3.551 3.551 3.649 -0.098 19764 149 1 . 1 1 27 27 ILE C C 27 178.333 178.333 177.904 0.429 19764 150 1 . 1 1 27 27 ILE CA C 27 65.199 65.199 65.285 -0.086 19764 151 1 . 1 1 27 27 ILE CB C 27 37.564 37.564 37.686 -0.122 19764 152 1 . 1 1 27 27 ILE H H 27 8.475 8.475 7.392 1.083 19764 153 1 . 1 1 28 28 HIS N N 28 117.341 117.341 118.970 -1.629 19764 154 1 . 1 1 28 28 HIS HA H 28 4.353 4.353 4.327 0.026 19764 155 1 . 1 1 28 28 HIS C C 28 176.498 176.498 177.699 -1.201 19764 156 1 . 1 1 28 28 HIS CA C 28 59.110 59.110 59.749 -0.639 19764 157 1 . 1 1 28 28 HIS CB C 28 28.024 28.024 29.750 -1.726 19764 158 1 . 1 1 28 28 HIS H H 28 8.415 8.415 7.846 0.569 19764 159 1 . 1 1 29 29 PHE N N 29 115.694 115.694 116.873 -1.179 19764 160 1 . 1 1 29 29 PHE HA H 29 4.337 4.337 4.539 -0.202 19764 161 1 . 1 1 29 29 PHE C C 29 176.924 176.924 177.085 -0.161 19764 162 1 . 1 1 29 29 PHE CA C 29 60.735 60.735 59.294 1.441 19764 163 1 . 1 1 29 29 PHE CB C 29 39.449 39.449 39.441 0.008 19764 164 1 . 1 1 29 29 PHE H H 29 8.727 8.727 7.942 0.785 19764 165 1 . 1 1 30 30 GLU N N 30 115.099 115.099 118.864 -3.765 19764 166 1 . 1 1 30 30 GLU HA H 30 4.336 4.336 4.324 0.012 19764 167 1 . 1 1 30 30 GLU C C 30 176.563 176.563 177.374 -0.811 19764 168 1 . 1 1 30 30 GLU CA C 30 55.482 55.482 57.231 -1.749 19764 169 1 . 1 1 30 30 GLU CB C 30 28.002 28.002 30.066 -2.064 19764 170 1 . 1 1 30 30 GLU H H 30 8.319 8.319 8.198 0.121 19764 171 1 . 1 1 31 31 GLY N N 31 107.479 107.479 107.009 0.470 19764 172 1 . 1 1 31 31 GLY C C 31 173.766 173.766 173.822 -0.055 19764 173 1 . 1 1 31 31 GLY CA C 31 45.982 45.982 44.700 1.282 19764 174 1 . 1 1 31 31 GLY H H 31 7.850 7.850 7.824 0.026 19764 175 1 . 1 1 32 32 TRP N N 32 118.981 118.981 121.168 -2.187 19764 176 1 . 1 1 32 32 TRP HA H 32 4.645 4.645 4.674 -0.029 19764 177 1 . 1 1 32 32 TRP C C 32 175.350 175.350 175.120 0.230 19764 178 1 . 1 1 32 32 TRP CA C 32 56.455 56.455 57.327 -0.872 19764 179 1 . 1 1 32 32 TRP CB C 32 29.033 29.033 30.965 -1.932 19764 180 1 . 1 1 32 32 TRP H H 32 7.530 7.530 7.632 -0.102 19764 181 1 . 1 1 33 33 ARG N N 33 121.186 121.186 120.514 0.672 19764 182 1 . 1 1 33 33 ARG HA H 33 4.273 4.273 4.359 -0.086 19764 183 1 . 1 1 33 33 ARG C C 33 174.990 174.990 175.152 -0.162 19764 184 1 . 1 1 33 33 ARG CA C 33 55.581 55.581 55.389 0.192 19764 185 1 . 1 1 33 33 ARG CB C 33 30.661 30.661 29.495 1.166 19764 186 1 . 1 1 33 33 ARG H H 33 7.926 7.926 8.129 -0.203 19764 stop_ save_