data_19425 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19425 _Entry.PDB_ID 2MC2 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 19425 _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 13 13 PHE N N 13 122.001 122.001 121.133 0.868 19425 2 1 1 . 1 1 13 13 PHE C C 13 174.608 174.608 175.878 -1.270 19425 3 1 1 . 1 1 13 13 PHE CA C 13 56.445 56.445 55.822 0.623 19425 4 1 1 . 1 1 13 13 PHE CB C 13 41.650 41.650 42.018 -0.368 19425 5 1 1 . 1 1 13 13 PHE H H 13 8.209 8.209 8.165 0.044 19425 6 1 1 . 1 1 14 14 LEU N N 14 122.475 122.475 123.608 -1.133 19425 7 1 1 . 1 1 14 14 LEU C C 14 175.630 175.630 176.034 -0.404 19425 8 1 1 . 1 1 14 14 LEU CA C 14 55.024 55.024 54.965 0.059 19425 9 1 1 . 1 1 14 14 LEU CB C 14 43.987 43.987 42.195 1.792 19425 10 1 1 . 1 1 14 14 LEU H H 14 8.264 8.264 8.963 -0.699 19425 11 1 1 . 1 1 15 15 ARG N N 15 121.510 121.510 122.592 -1.082 19425 12 1 1 . 1 1 15 15 ARG C C 15 175.630 175.630 177.196 -1.566 19425 13 1 1 . 1 1 15 15 ARG CA C 15 54.007 54.007 52.537 1.470 19425 14 1 1 . 1 1 15 15 ARG CB C 15 34.536 34.536 32.788 1.748 19425 15 1 1 . 1 1 15 15 ARG H H 15 8.653 8.653 8.234 0.419 19425 16 1 1 . 1 1 16 16 THR N N 16 110.840 110.840 113.617 -2.777 19425 17 1 1 . 1 1 16 16 THR C C 16 175.946 175.946 175.260 0.686 19425 18 1 1 . 1 1 16 16 THR CA C 16 62.950 62.950 63.251 -0.301 19425 19 1 1 . 1 1 16 16 THR CB C 16 69.276 69.276 69.426 -0.150 19425 20 1 1 . 1 1 16 16 THR H H 16 8.815 8.815 8.469 0.346 19425 21 1 1 . 1 1 17 17 ASP N N 17 114.036 114.036 117.141 -3.105 19425 22 1 1 . 1 1 17 17 ASP C C 17 175.686 175.686 174.958 0.728 19425 23 1 1 . 1 1 17 17 ASP CA C 17 57.735 57.735 56.806 0.929 19425 24 1 1 . 1 1 17 17 ASP CB C 17 39.928 39.928 40.069 -0.141 19425 25 1 1 . 1 1 17 17 ASP H H 17 9.241 9.241 8.912 0.329 19425 26 1 1 . 1 1 18 18 ASP N N 18 122.062 122.062 121.286 0.776 19425 27 1 1 . 1 1 18 18 ASP C C 18 175.946 175.946 175.625 0.321 19425 28 1 1 . 1 1 18 18 ASP CA C 18 56.214 56.214 54.786 1.428 19425 29 1 1 . 1 1 18 18 ASP CB C 18 40.985 40.985 41.437 -0.452 19425 30 1 1 . 1 1 18 18 ASP H H 18 8.035 8.035 7.585 0.450 19425 31 1 1 . 1 1 19 19 GLU N N 19 122.006 122.006 124.481 -2.475 19425 32 1 1 . 1 1 19 19 GLU C C 19 175.055 175.055 176.039 -0.984 19425 33 1 1 . 1 1 19 19 GLU CA C 19 55.262 55.262 56.496 -1.234 19425 34 1 1 . 1 1 19 19 GLU CB C 19 30.712 30.712 30.384 0.328 19425 35 1 1 . 1 1 19 19 GLU H H 19 8.274 8.274 8.657 -0.383 19425 36 1 1 . 1 1 20 20 VAL N N 20 118.214 118.214 121.324 -3.110 19425 37 1 1 . 1 1 20 20 VAL C C 20 176.855 176.855 173.733 3.122 19425 38 1 1 . 1 1 20 20 VAL CA C 20 59.054 59.054 58.916 0.139 19425 39 1 1 . 1 1 20 20 VAL CB C 20 36.780 36.780 36.144 0.636 19425 40 1 1 . 1 1 20 20 VAL H H 20 9.779 9.779 9.193 0.586 19425 41 1 1 . 1 1 21 21 VAL N N 21 115.443 115.443 113.843 1.600 19425 42 1 1 . 1 1 21 21 VAL C C 21 173.830 173.830 174.253 -0.423 19425 43 1 1 . 1 1 21 21 VAL CA C 21 60.308 60.308 59.397 0.911 19425 44 1 1 . 1 1 21 21 VAL CB C 21 34.625 34.625 34.829 -0.204 19425 45 1 1 . 1 1 21 21 VAL H H 21 8.167 8.167 8.382 -0.215 19425 46 1 1 . 1 1 22 22 LEU N N 22 128.072 128.072 127.435 0.637 19425 47 1 1 . 1 1 22 22 LEU C C 22 174.858 174.858 176.033 -1.175 19425 48 1 1 . 1 1 22 22 LEU CA C 22 55.656 55.656 54.370 1.286 19425 49 1 1 . 1 1 22 22 LEU CB C 22 42.545 42.545 42.197 0.348 19425 50 1 1 . 1 1 22 22 LEU H H 22 10.103 10.103 8.933 1.170 19425 51 1 1 . 1 1 23 23 GLN N N 23 120.609 120.609 123.084 -2.475 19425 52 1 1 . 1 1 23 23 GLN C C 23 175.500 175.500 175.133 0.367 19425 53 1 1 . 1 1 23 23 GLN CA C 23 53.710 53.710 54.033 -0.323 19425 54 1 1 . 1 1 23 23 GLN CB C 23 33.697 33.697 33.713 -0.016 19425 55 1 1 . 1 1 23 23 GLN H H 23 9.119 9.119 8.711 0.408 19425 56 1 1 . 1 1 24 24 CYS N N 24 118.659 118.659 117.538 1.121 19425 57 1 1 . 1 1 24 24 CYS C C 24 174.443 174.443 173.455 0.988 19425 58 1 1 . 1 1 24 24 CYS CA C 24 55.261 55.261 56.116 -0.855 19425 59 1 1 . 1 1 24 24 CYS CB C 24 30.302 30.302 30.288 0.014 19425 60 1 1 . 1 1 24 24 CYS H H 24 8.993 8.993 9.010 -0.017 19425 61 1 1 . 1 1 25 25 THR N N 25 116.266 116.266 120.473 -4.207 19425 62 1 1 . 1 1 25 25 THR C C 25 172.457 172.457 173.940 -1.483 19425 63 1 1 . 1 1 25 25 THR CA C 25 61.858 61.858 63.247 -1.389 19425 64 1 1 . 1 1 25 25 THR CB C 25 70.271 70.271 68.835 1.436 19425 65 1 1 . 1 1 25 25 THR H H 25 8.480 8.480 8.606 -0.126 19425 66 1 1 . 1 1 26 26 ALA N N 26 129.739 129.739 131.600 -1.861 19425 67 1 1 . 1 1 26 26 ALA C C 26 172.717 172.717 175.281 -2.564 19425 68 1 1 . 1 1 26 26 ALA CA C 26 50.642 50.642 49.973 0.669 19425 69 1 1 . 1 1 26 26 ALA CB C 26 21.315 21.315 19.675 1.639 19425 70 1 1 . 1 1 26 26 ALA H H 26 8.590 8.590 8.657 -0.067 19425 71 1 1 . 1 1 27 27 THR N N 27 116.574 116.574 118.747 -2.173 19425 72 1 1 . 1 1 27 27 THR C C 27 173.181 173.181 173.835 -0.654 19425 73 1 1 . 1 1 27 27 THR CA C 27 61.919 61.919 61.295 0.624 19425 74 1 1 . 1 1 27 27 THR CB C 27 69.696 69.696 70.662 -0.966 19425 75 1 1 . 1 1 27 27 THR H H 27 8.110 8.110 8.272 -0.162 19425 76 1 1 . 1 1 28 28 ILE N N 28 126.342 126.342 125.181 1.161 19425 77 1 1 . 1 1 28 28 ILE C C 28 173.793 173.793 174.502 -0.709 19425 78 1 1 . 1 1 28 28 ILE CA C 28 60.407 60.407 61.543 -1.136 19425 79 1 1 . 1 1 28 28 ILE CB C 28 39.536 39.536 40.363 -0.827 19425 80 1 1 . 1 1 28 28 ILE H H 28 8.483 8.483 8.792 -0.309 19425 81 1 1 . 1 1 29 29 HIS N N 29 126.364 126.364 124.559 1.805 19425 82 1 1 . 1 1 29 29 HIS C C 29 175.259 175.259 174.201 1.058 19425 83 1 1 . 1 1 29 29 HIS CA C 29 57.174 57.174 57.124 0.049 19425 84 1 1 . 1 1 29 29 HIS CB C 29 28.029 28.029 28.292 -0.263 19425 85 1 1 . 1 1 29 29 HIS H H 29 9.110 9.110 8.435 0.675 19425 86 1 1 . 1 1 31 31 GLU N N 31 120.962 120.962 119.251 1.711 19425 87 1 1 . 1 1 31 31 GLU C C 31 175.575 175.575 174.282 1.293 19425 88 1 1 . 1 1 31 31 GLU CA C 31 55.394 55.394 55.422 -0.028 19425 89 1 1 . 1 1 31 31 GLU CB C 31 31.576 31.576 32.516 -0.940 19425 90 1 1 . 1 1 31 31 GLU H H 31 8.047 8.047 7.737 0.310 19425 91 1 1 . 1 1 32 32 GLN N N 32 123.171 123.171 126.068 -2.897 19425 92 1 1 . 1 1 32 32 GLN C C 32 175.185 175.185 174.703 0.482 19425 93 1 1 . 1 1 32 32 GLN CA C 32 54.496 54.496 54.700 -0.204 19425 94 1 1 . 1 1 32 32 GLN CB C 32 30.054 30.054 31.439 -1.385 19425 95 1 1 . 1 1 32 32 GLN H H 32 8.646 8.646 8.754 -0.108 19425 96 1 1 . 1 1 33 33 GLN N N 33 123.530 123.530 121.541 1.989 19425 97 1 1 . 1 1 33 33 GLN C C 33 175.667 175.667 173.557 2.110 19425 98 1 1 . 1 1 33 33 GLN CA C 33 54.616 54.616 54.596 0.020 19425 99 1 1 . 1 1 33 33 GLN CB C 33 31.748 31.748 32.361 -0.613 19425 100 1 1 . 1 1 33 33 GLN H H 33 8.839 8.839 8.798 0.041 19425 101 1 1 . 1 1 34 34 LYS N N 34 124.601 124.601 120.543 4.058 19425 102 1 1 . 1 1 34 34 LYS C C 34 173.812 173.812 174.945 -1.133 19425 103 1 1 . 1 1 34 34 LYS CA C 34 55.755 55.755 55.105 0.650 19425 104 1 1 . 1 1 34 34 LYS CB C 34 32.712 32.712 35.492 -2.780 19425 105 1 1 . 1 1 34 34 LYS H H 34 8.589 8.589 8.493 0.096 19425 106 1 1 . 1 1 35 35 LEU N N 35 126.071 126.071 121.803 4.268 19425 107 1 1 . 1 1 35 35 LEU C C 35 175.445 175.445 175.835 -0.390 19425 108 1 1 . 1 1 35 35 LEU CA C 35 53.347 53.347 52.802 0.545 19425 109 1 1 . 1 1 35 35 LEU CB C 35 44.943 44.943 46.135 -1.192 19425 110 1 1 . 1 1 35 35 LEU H H 35 8.794 8.794 8.285 0.509 19425 111 1 1 . 1 1 36 36 CYS N N 36 118.373 118.373 118.708 -0.335 19425 112 1 1 . 1 1 36 36 CYS C C 36 176.057 176.057 175.412 0.645 19425 113 1 1 . 1 1 36 36 CYS CA C 36 57.174 57.174 55.400 1.774 19425 114 1 1 . 1 1 36 36 CYS CB C 36 30.306 30.306 28.777 1.529 19425 115 1 1 . 1 1 36 36 CYS H H 36 9.042 9.042 8.906 0.136 19425 116 1 1 . 1 1 37 37 LEU N N 37 129.256 129.256 126.056 3.200 19425 117 1 1 . 1 1 37 37 LEU C C 37 174.090 174.090 175.299 -1.209 19425 118 1 1 . 1 1 37 37 LEU CA C 37 56.349 56.349 55.569 0.780 19425 119 1 1 . 1 1 37 37 LEU CB C 37 42.689 42.689 41.928 0.761 19425 120 1 1 . 1 1 37 37 LEU H H 37 8.811 8.811 8.924 -0.113 19425 121 1 1 . 1 1 38 38 ALA N N 38 127.229 127.229 128.406 -1.177 19425 122 1 1 . 1 1 38 38 ALA C C 38 174.517 174.517 175.153 -0.636 19425 123 1 1 . 1 1 38 38 ALA CA C 38 50.609 50.609 49.437 1.172 19425 124 1 1 . 1 1 38 38 ALA CB C 38 24.141 24.141 22.180 1.961 19425 125 1 1 . 1 1 38 38 ALA H H 38 8.879 8.879 8.611 0.268 19425 126 1 1 . 1 1 39 39 ALA N N 39 117.076 117.076 119.935 -2.859 19425 127 1 1 . 1 1 39 39 ALA C C 39 174.665 174.665 174.685 -0.020 19425 128 1 1 . 1 1 39 39 ALA CA C 39 51.500 51.500 51.661 -0.161 19425 129 1 1 . 1 1 39 39 ALA CB C 39 20.996 20.996 21.390 -0.393 19425 130 1 1 . 1 1 39 39 ALA H H 39 6.837 6.837 7.690 -0.853 19425 131 1 1 . 1 1 40 40 GLU N N 40 119.966 119.966 117.797 2.169 19425 132 1 1 . 1 1 40 40 GLU C C 40 176.205 176.205 175.954 0.251 19425 133 1 1 . 1 1 40 40 GLU CA C 40 55.950 55.950 54.596 1.355 19425 134 1 1 . 1 1 40 40 GLU CB C 40 31.836 31.836 32.470 -0.634 19425 135 1 1 . 1 1 40 40 GLU H H 40 8.413 8.413 8.566 -0.153 19425 136 1 1 . 1 1 41 41 GLY N N 41 108.646 108.646 106.692 1.954 19425 137 1 1 . 1 1 41 41 GLY C C 41 176.892 176.892 173.630 3.262 19425 138 1 1 . 1 1 41 41 GLY CA C 41 45.628 45.628 45.102 0.526 19425 139 1 1 . 1 1 41 41 GLY H H 41 8.463 8.463 8.853 -0.390 19425 140 1 1 . 1 1 43 43 GLY N N 43 109.557 109.557 109.594 -0.037 19425 141 1 1 . 1 1 43 43 GLY C C 43 176.465 176.465 174.717 1.748 19425 142 1 1 . 1 1 43 43 GLY CA C 43 45.397 45.397 45.467 -0.070 19425 143 1 1 . 1 1 43 43 GLY H H 43 8.510 8.510 8.718 -0.208 19425 144 1 1 . 1 1 44 44 ASN N N 44 116.850 116.850 121.994 -5.144 19425 145 1 1 . 1 1 44 44 ASN C C 44 173.830 173.830 175.339 -1.509 19425 146 1 1 . 1 1 44 44 ASN CA C 44 54.184 54.184 52.701 1.483 19425 147 1 1 . 1 1 44 44 ASN CB C 44 38.252 38.252 38.106 0.146 19425 148 1 1 . 1 1 44 44 ASN H H 44 8.028 8.028 8.697 -0.669 19425 149 1 1 . 1 1 45 45 ARG N N 45 118.226 118.226 115.818 2.408 19425 150 1 1 . 1 1 45 45 ARG C C 45 174.072 174.072 174.148 -0.076 19425 151 1 1 . 1 1 45 45 ARG CA C 45 56.077 56.077 57.142 -1.065 19425 152 1 1 . 1 1 45 45 ARG CB C 45 31.231 31.231 27.367 3.864 19425 153 1 1 . 1 1 45 45 ARG H H 45 7.759 7.759 7.427 0.332 19425 154 1 1 . 1 1 46 46 LEU N N 46 124.643 124.643 118.887 5.756 19425 155 1 1 . 1 1 46 46 LEU C C 46 176.447 176.447 176.894 -0.447 19425 156 1 1 . 1 1 46 46 LEU CA C 46 54.667 54.667 54.025 0.642 19425 157 1 1 . 1 1 46 46 LEU CB C 46 42.605 42.605 43.079 -0.474 19425 158 1 1 . 1 1 46 46 LEU H H 46 8.695 8.695 7.562 1.133 19425 159 1 1 . 1 1 47 47 CYS N N 47 119.241 119.241 120.434 -1.193 19425 160 1 1 . 1 1 47 47 CYS C C 47 176.651 176.651 174.885 1.766 19425 161 1 1 . 1 1 47 47 CYS CA C 47 55.885 55.885 59.299 -3.414 19425 162 1 1 . 1 1 47 47 CYS CB C 47 31.112 31.112 27.041 4.071 19425 163 1 1 . 1 1 47 47 CYS H H 47 9.007 9.007 8.526 0.481 19425 164 1 1 . 1 1 48 48 PHE N N 48 114.081 114.081 118.367 -4.286 19425 165 1 1 . 1 1 48 48 PHE C C 48 170.342 170.342 173.035 -2.693 19425 166 1 1 . 1 1 48 48 PHE CA C 48 57.405 57.405 55.788 1.617 19425 167 1 1 . 1 1 48 48 PHE CB C 48 43.263 43.263 40.344 2.919 19425 168 1 1 . 1 1 48 48 PHE H H 48 8.647 8.647 8.558 0.089 19425 169 1 1 . 1 1 49 49 LEU N N 49 122.287 122.287 119.110 3.177 19425 170 1 1 . 1 1 49 49 LEU C C 49 176.236 176.236 176.135 0.101 19425 171 1 1 . 1 1 49 49 LEU CA C 49 53.285 53.285 53.785 -0.500 19425 172 1 1 . 1 1 49 49 LEU CB C 49 42.907 42.907 45.531 -2.624 19425 173 1 1 . 1 1 49 49 LEU H H 49 9.108 9.108 8.820 0.288 19425 174 1 1 . 1 1 50 50 GLU N N 50 123.206 123.206 122.049 1.157 19425 175 1 1 . 1 1 50 50 GLU C C 50 177.671 177.671 175.137 2.534 19425 176 1 1 . 1 1 50 50 GLU CA C 50 57.084 57.084 54.548 2.536 19425 177 1 1 . 1 1 50 50 GLU CB C 50 30.123 30.123 33.316 -3.193 19425 178 1 1 . 1 1 50 50 GLU H H 50 8.834 8.834 8.507 0.327 19425 179 1 1 . 1 1 51 51 SER N N 51 118.500 118.500 120.685 -2.185 19425 180 1 1 . 1 1 51 51 SER C C 51 176.706 176.706 174.852 1.854 19425 181 1 1 . 1 1 51 51 SER CA C 51 58.560 58.560 58.014 0.546 19425 182 1 1 . 1 1 51 51 SER CB C 51 63.979 63.979 63.899 0.080 19425 183 1 1 . 1 1 51 51 SER H H 51 8.461 8.461 8.864 -0.403 19425 184 1 1 . 1 1 52 52 THR N N 52 116.205 116.205 118.452 -2.247 19425 185 1 1 . 1 1 52 52 THR C C 52 174.808 174.808 173.846 0.962 19425 186 1 1 . 1 1 52 52 THR CA C 52 61.891 61.891 60.145 1.746 19425 187 1 1 . 1 1 52 52 THR CB C 52 70.076 70.076 70.820 -0.744 19425 188 1 1 . 1 1 52 52 THR H H 52 8.199 8.199 8.224 -0.025 19425 189 1 1 . 1 1 65 65 CYS N N 65 117.553 117.553 119.751 -2.198 19425 190 1 1 . 1 1 65 65 CYS C C 65 176.948 176.948 174.128 2.820 19425 191 1 1 . 1 1 65 65 CYS CA C 65 57.900 57.900 57.323 0.577 19425 192 1 1 . 1 1 65 65 CYS CB C 65 30.290 30.290 26.381 3.909 19425 193 1 1 . 1 1 65 65 CYS H H 65 7.539 7.539 7.513 0.026 19425 194 1 1 . 1 1 66 66 THR N N 66 113.614 113.614 118.162 -4.548 19425 195 1 1 . 1 1 66 66 THR C C 66 180.325 180.325 173.408 6.917 19425 196 1 1 . 1 1 66 66 THR CA C 66 63.399 63.399 63.390 0.009 19425 197 1 1 . 1 1 66 66 THR CB C 66 69.281 69.281 69.374 -0.093 19425 198 1 1 . 1 1 66 66 THR H H 66 6.851 6.851 7.348 -0.497 19425 199 1 1 . 1 1 67 67 PHE N N 67 126.248 126.248 125.434 0.814 19425 200 1 1 . 1 1 67 67 PHE C C 67 174.424 174.424 174.136 0.288 19425 201 1 1 . 1 1 67 67 PHE CA C 67 56.184 56.184 56.668 -0.484 19425 202 1 1 . 1 1 67 67 PHE CB C 67 43.291 43.291 44.362 -1.071 19425 203 1 1 . 1 1 67 67 PHE H H 67 9.603 9.603 9.382 0.221 19425 204 1 1 . 1 1 68 68 VAL N N 68 121.310 121.310 119.026 2.284 19425 205 1 1 . 1 1 68 68 VAL C C 68 173.719 173.719 175.545 -1.826 19425 206 1 1 . 1 1 68 68 VAL CA C 68 60.935 60.935 60.676 0.259 19425 207 1 1 . 1 1 68 68 VAL CB C 68 34.522 34.522 34.316 0.206 19425 208 1 1 . 1 1 68 68 VAL H H 68 9.968 9.968 8.642 1.326 19425 209 1 1 . 1 1 69 69 LEU N N 69 127.011 127.011 128.823 -1.812 19425 210 1 1 . 1 1 69 69 LEU C C 69 177.152 177.152 177.913 -0.761 19425 211 1 1 . 1 1 69 69 LEU CA C 69 53.083 53.083 54.595 -1.512 19425 212 1 1 . 1 1 69 69 LEU CB C 69 39.652 39.652 39.322 0.330 19425 213 1 1 . 1 1 69 69 LEU H H 69 8.135 8.135 8.632 -0.496 19425 214 1 1 . 1 1 70 70 GLU N N 70 129.683 129.683 121.794 7.889 19425 215 1 1 . 1 1 70 70 GLU C C 70 174.869 174.869 176.974 -2.105 19425 216 1 1 . 1 1 70 70 GLU CA C 70 59.747 59.747 59.172 0.575 19425 217 1 1 . 1 1 70 70 GLU CB C 70 31.291 31.291 29.895 1.396 19425 218 1 1 . 1 1 70 70 GLU H H 70 8.654 8.654 8.374 0.280 19425 219 1 1 . 1 1 71 71 GLN N N 71 110.287 110.287 117.507 -7.220 19425 220 1 1 . 1 1 71 71 GLN C C 71 176.094 176.094 174.936 1.158 19425 221 1 1 . 1 1 71 71 GLN CA C 71 54.030 54.030 54.545 -0.515 19425 222 1 1 . 1 1 71 71 GLN CB C 71 33.112 33.112 32.739 0.373 19425 223 1 1 . 1 1 71 71 GLN H H 71 7.318 7.318 7.632 -0.314 19425 224 1 1 . 1 1 72 72 SER N N 72 116.205 116.205 116.209 -0.004 19425 225 1 1 . 1 1 72 72 SER C C 72 174.035 174.035 173.491 0.544 19425 226 1 1 . 1 1 72 72 SER CA C 72 58.132 58.132 58.773 -0.641 19425 227 1 1 . 1 1 72 72 SER CB C 72 64.295 64.295 63.823 0.472 19425 228 1 1 . 1 1 72 72 SER H H 72 8.380 8.380 8.785 -0.405 19425 229 1 1 . 1 1 73 73 LEU N N 73 127.858 127.858 124.083 3.775 19425 230 1 1 . 1 1 73 73 LEU C C 73 173.701 173.701 175.749 -2.048 19425 231 1 1 . 1 1 73 73 LEU CA C 73 53.347 53.347 53.266 0.081 19425 232 1 1 . 1 1 73 73 LEU CB C 73 45.926 45.926 45.210 0.716 19425 233 1 1 . 1 1 73 73 LEU H H 73 9.532 9.532 8.866 0.666 19425 234 1 1 . 1 1 74 74 SER N N 74 115.724 115.724 114.646 1.078 19425 235 1 1 . 1 1 74 74 SER C C 74 177.541 177.541 175.924 1.617 19425 236 1 1 . 1 1 74 74 SER CA C 74 57.905 57.905 57.282 0.623 19425 237 1 1 . 1 1 74 74 SER CB C 74 63.901 63.901 63.642 0.259 19425 238 1 1 . 1 1 74 74 SER H H 74 8.240 8.240 8.141 0.099 19425 239 1 1 . 1 1 75 75 VAL N N 75 122.994 122.994 127.021 -4.027 19425 240 1 1 . 1 1 75 75 VAL C C 75 174.610 174.610 177.446 -2.836 19425 241 1 1 . 1 1 75 75 VAL CA C 75 67.104 67.104 66.766 0.338 19425 242 1 1 . 1 1 75 75 VAL CB C 75 30.953 30.953 31.075 -0.122 19425 243 1 1 . 1 1 75 75 VAL H H 75 9.056 9.056 8.978 0.078 19425 244 1 1 . 1 1 76 76 ARG N N 76 119.193 119.193 120.490 -1.297 19425 245 1 1 . 1 1 76 76 ARG C C 76 178.228 178.228 178.149 0.079 19425 246 1 1 . 1 1 76 76 ARG CA C 76 59.087 59.087 60.023 -0.936 19425 247 1 1 . 1 1 76 76 ARG CB C 76 29.280 29.280 29.923 -0.643 19425 248 1 1 . 1 1 76 76 ARG H H 76 8.137 8.137 7.641 0.496 19425 249 1 1 . 1 1 77 77 ALA N N 77 122.977 122.977 120.355 2.622 19425 250 1 1 . 1 1 77 77 ALA C C 77 178.506 178.506 179.658 -1.152 19425 251 1 1 . 1 1 77 77 ALA CA C 77 54.926 54.926 54.581 0.345 19425 252 1 1 . 1 1 77 77 ALA CB C 77 18.231 18.231 17.876 0.355 19425 253 1 1 . 1 1 77 77 ALA H H 77 7.699 7.699 7.990 -0.291 19425 254 1 1 . 1 1 78 78 LEU N N 78 121.115 121.115 120.253 0.862 19425 255 1 1 . 1 1 78 78 LEU C C 78 180.640 180.640 178.354 2.286 19425 256 1 1 . 1 1 78 78 LEU CA C 78 57.985 57.985 57.356 0.629 19425 257 1 1 . 1 1 78 78 LEU CB C 78 40.522 40.522 41.300 -0.778 19425 258 1 1 . 1 1 78 78 LEU H H 78 8.303 8.303 8.322 -0.019 19425 259 1 1 . 1 1 79 79 GLN N N 79 116.873 116.873 117.302 -0.429 19425 260 1 1 . 1 1 79 79 GLN C C 79 177.875 177.875 178.429 -0.554 19425 261 1 1 . 1 1 79 79 GLN CA C 79 59.069 59.069 59.037 0.032 19425 262 1 1 . 1 1 79 79 GLN CB C 79 27.254 27.254 28.351 -1.097 19425 263 1 1 . 1 1 79 79 GLN H H 79 8.390 8.390 8.220 0.170 19425 264 1 1 . 1 1 80 80 GLU N N 80 120.455 120.455 121.013 -0.558 19425 265 1 1 . 1 1 80 80 GLU C C 80 179.749 179.749 178.632 1.117 19425 266 1 1 . 1 1 80 80 GLU CA C 80 59.413 59.413 58.903 0.510 19425 267 1 1 . 1 1 80 80 GLU CB C 80 29.142 29.142 29.169 -0.027 19425 268 1 1 . 1 1 80 80 GLU H H 80 7.942 7.942 7.936 0.006 19425 269 1 1 . 1 1 81 81 MET N N 81 120.541 120.541 118.673 1.868 19425 270 1 1 . 1 1 81 81 MET C C 81 178.599 178.599 178.871 -0.272 19425 271 1 1 . 1 1 81 81 MET CA C 81 59.665 59.665 59.416 0.249 19425 272 1 1 . 1 1 81 81 MET CB C 81 32.534 32.534 32.647 -0.113 19425 273 1 1 . 1 1 81 81 MET H H 81 7.870 7.870 8.015 -0.145 19425 274 1 1 . 1 1 82 82 LEU N N 82 119.662 119.662 118.295 1.367 19425 275 1 1 . 1 1 82 82 LEU C C 82 179.638 179.638 179.327 0.311 19425 276 1 1 . 1 1 82 82 LEU CA C 82 57.669 57.669 57.069 0.600 19425 277 1 1 . 1 1 82 82 LEU CB C 82 40.783 40.783 41.703 -0.920 19425 278 1 1 . 1 1 82 82 LEU H H 82 8.488 8.488 7.866 0.622 19425 279 1 1 . 1 1 83 83 ALA N N 83 120.827 120.827 121.466 -0.639 19425 280 1 1 . 1 1 83 83 ALA C C 83 179.323 179.323 179.755 -0.432 19425 281 1 1 . 1 1 83 83 ALA CA C 83 54.073 54.073 54.642 -0.569 19425 282 1 1 . 1 1 83 83 ALA CB C 83 18.326 18.326 18.674 -0.348 19425 283 1 1 . 1 1 83 83 ALA H H 83 7.704 7.704 8.024 -0.320 19425 284 1 1 . 1 1 84 84 ASN N N 84 115.853 115.853 114.195 1.658 19425 285 1 1 . 1 1 84 84 ASN C C 84 178.944 178.944 176.188 2.756 19425 286 1 1 . 1 1 84 84 ASN CA C 84 54.167 54.167 54.823 -0.656 19425 287 1 1 . 1 1 84 84 ASN CB C 84 39.465 39.465 38.488 0.977 19425 288 1 1 . 1 1 84 84 ASN H H 84 7.729 7.729 8.026 -0.297 19425 289 1 1 . 1 1 85 85 THR N N 85 112.611 112.611 108.212 4.399 19425 290 1 1 . 1 1 85 85 THR C C 85 175.569 175.569 175.066 0.503 19425 291 1 1 . 1 1 85 85 THR CA C 85 63.086 63.086 62.502 0.584 19425 292 1 1 . 1 1 85 85 THR CB C 85 70.071 70.071 68.935 1.136 19425 293 1 1 . 1 1 85 85 THR H H 85 7.698 7.698 7.306 0.392 19425 294 1 1 . 1 1 86 86 VAL N N 86 121.812 121.812 121.287 0.525 19425 295 1 1 . 1 1 86 86 VAL C C 86 174.573 174.573 176.644 -2.071 19425 296 1 1 . 1 1 86 86 VAL CA C 86 62.811 62.811 64.669 -1.858 19425 297 1 1 . 1 1 86 86 VAL CB C 86 32.730 32.730 32.068 0.662 19425 298 1 1 . 1 1 86 86 VAL H H 86 7.874 7.874 7.185 0.689 19425 299 1 1 . 1 1 87 87 GLU N N 87 124.330 124.330 119.321 5.009 19425 300 1 1 . 1 1 87 87 GLU C C 87 176.280 176.280 174.947 1.333 19425 301 1 1 . 1 1 87 87 GLU CA C 87 56.877 56.877 56.166 0.711 19425 302 1 1 . 1 1 87 87 GLU CB C 87 29.852 29.852 30.012 -0.160 19425 303 1 1 . 1 1 87 87 GLU H H 87 8.403 8.403 8.328 0.075 19425 304 1 1 . 1 1 88 88 LYS N N 88 122.065 122.065 124.556 -2.491 19425 305 1 1 . 1 1 88 88 LYS C C 88 176.966 176.966 176.194 0.772 19425 306 1 1 . 1 1 88 88 LYS CA C 88 56.799 56.799 56.280 0.519 19425 307 1 1 . 1 1 88 88 LYS CB C 88 32.597 32.597 33.643 -1.046 19425 308 1 1 . 1 1 88 88 LYS H H 88 8.330 8.330 8.123 0.207 19425 309 1 1 . 1 1 89 89 SER N N 89 116.192 116.192 118.080 -1.888 19425 310 1 1 . 1 1 89 89 SER C C 89 176.865 176.865 174.620 2.245 19425 311 1 1 . 1 1 89 89 SER CA C 89 59.008 59.008 59.081 -0.073 19425 312 1 1 . 1 1 89 89 SER CB C 89 63.765 63.765 63.327 0.438 19425 313 1 1 . 1 1 89 89 SER H H 89 8.247 8.247 8.655 -0.408 19425 314 1 1 . 1 1 90 90 GLU N N 90 122.006 122.006 120.108 1.898 19425 315 1 1 . 1 1 90 90 GLU C C 90 174.702 174.702 176.116 -1.414 19425 316 1 1 . 1 1 90 90 GLU CA C 90 57.231 57.231 55.800 1.431 19425 317 1 1 . 1 1 90 90 GLU CB C 90 29.442 29.442 30.291 -0.850 19425 318 1 1 . 1 1 90 90 GLU H H 90 8.560 8.560 7.723 0.837 19425 319 1 1 . 1 1 91 91 GLY N N 91 110.052 110.052 107.696 2.356 19425 320 1 1 . 1 1 91 91 GLY C C 91 177.170 177.170 173.949 3.221 19425 321 1 1 . 1 1 91 91 GLY CA C 91 45.634 45.634 44.905 0.729 19425 322 1 1 . 1 1 91 91 GLY H H 91 8.358 8.358 8.308 0.050 19425 323 1 1 . 1 1 92 92 GLN N N 92 120.053 120.053 119.109 0.944 19425 324 1 1 . 1 1 92 92 GLN C C 92 173.905 173.905 175.828 -1.923 19425 325 1 1 . 1 1 92 92 GLN CA C 92 55.261 55.261 54.818 0.443 19425 326 1 1 . 1 1 92 92 GLN CB C 92 29.573 29.573 29.511 0.062 19425 327 1 1 . 1 1 92 92 GLN H H 92 8.075 8.075 8.113 -0.038 19425 328 1 1 . 1 1 93 93 VAL N N 93 123.434 123.434 120.665 2.769 19425 329 1 1 . 1 1 93 93 VAL C C 93 175.667 175.667 175.963 -0.296 19425 330 1 1 . 1 1 93 93 VAL CA C 93 62.914 62.914 63.566 -0.652 19425 331 1 1 . 1 1 93 93 VAL CB C 93 32.629 32.629 32.216 0.413 19425 332 1 1 . 1 1 93 93 VAL H H 93 8.370 8.370 8.491 -0.121 19425 333 1 1 . 1 1 94 94 ASP N N 94 125.761 125.761 121.756 4.005 19425 334 1 1 . 1 1 94 94 ASP C C 94 175.704 175.704 174.975 0.729 19425 335 1 1 . 1 1 94 94 ASP CA C 94 53.743 53.743 53.437 0.306 19425 336 1 1 . 1 1 94 94 ASP CB C 94 40.771 40.771 40.173 0.598 19425 337 1 1 . 1 1 94 94 ASP H H 94 8.550 8.550 8.196 0.354 19425 338 1 1 . 1 1 95 95 VAL N N 95 125.064 125.064 121.719 3.345 19425 339 1 1 . 1 1 95 95 VAL C C 95 176.465 176.465 176.865 -0.400 19425 340 1 1 . 1 1 95 95 VAL CA C 95 65.487 65.487 63.783 1.704 19425 341 1 1 . 1 1 95 95 VAL CB C 95 31.773 31.773 31.441 0.332 19425 342 1 1 . 1 1 95 95 VAL H H 95 8.300 8.300 7.858 0.442 19425 343 1 1 . 1 1 96 96 GLU N N 96 120.880 120.880 122.161 -1.281 19425 344 1 1 . 1 1 96 96 GLU C C 96 177.523 177.523 177.392 0.131 19425 345 1 1 . 1 1 96 96 GLU CA C 96 59.157 59.157 58.804 0.353 19425 346 1 1 . 1 1 96 96 GLU CB C 96 28.575 28.575 29.454 -0.879 19425 347 1 1 . 1 1 96 96 GLU H H 96 8.297 8.297 8.695 -0.398 19425 348 1 1 . 1 1 97 97 LYS N N 97 121.943 121.943 117.001 4.942 19425 349 1 1 . 1 1 97 97 LYS C C 97 179.434 179.434 178.305 1.129 19425 350 1 1 . 1 1 97 97 LYS CA C 97 59.186 59.186 56.881 2.305 19425 351 1 1 . 1 1 97 97 LYS CB C 97 32.036 32.036 31.714 0.322 19425 352 1 1 . 1 1 97 97 LYS H H 97 7.979 7.979 7.944 0.035 19425 353 1 1 . 1 1 98 98 TRP N N 98 121.420 121.420 121.381 0.039 19425 354 1 1 . 1 1 98 98 TRP C C 98 178.673 178.673 178.369 0.304 19425 355 1 1 . 1 1 98 98 TRP CA C 98 60.176 60.176 59.727 0.449 19425 356 1 1 . 1 1 98 98 TRP CB C 98 29.340 29.340 28.887 0.453 19425 357 1 1 . 1 1 98 98 TRP H H 98 8.202 8.202 7.852 0.350 19425 358 1 1 . 1 1 99 99 LYS N N 99 118.236 118.236 119.025 -0.789 19425 359 1 1 . 1 1 99 99 LYS C C 99 177.374 177.374 178.867 -1.493 19425 360 1 1 . 1 1 99 99 LYS CA C 99 59.812 59.812 59.245 0.568 19425 361 1 1 . 1 1 99 99 LYS CB C 99 32.042 32.042 31.636 0.406 19425 362 1 1 . 1 1 99 99 LYS H H 99 8.346 8.346 8.609 -0.263 19425 363 1 1 . 1 1 100 100 PHE N N 100 120.365 120.365 118.083 2.282 19425 364 1 1 . 1 1 100 100 PHE C C 100 179.193 179.193 178.521 0.672 19425 365 1 1 . 1 1 100 100 PHE CA C 100 60.902 60.902 61.654 -0.751 19425 366 1 1 . 1 1 100 100 PHE CB C 100 38.875 38.875 38.568 0.307 19425 367 1 1 . 1 1 100 100 PHE H H 100 7.916 7.916 8.417 -0.501 19425 368 1 1 . 1 1 101 101 MET N N 101 121.837 121.837 121.230 0.607 19425 369 1 1 . 1 1 101 101 MET C C 101 178.172 178.172 178.314 -0.142 19425 370 1 1 . 1 1 101 101 MET CA C 101 58.625 58.625 58.924 -0.299 19425 371 1 1 . 1 1 101 101 MET CB C 101 32.081 32.081 32.977 -0.896 19425 372 1 1 . 1 1 101 101 MET H H 101 8.393 8.393 8.462 -0.069 19425 373 1 1 . 1 1 102 102 MET N N 102 119.901 119.901 119.259 0.642 19425 374 1 1 . 1 1 102 102 MET C C 102 178.655 178.655 177.964 0.691 19425 375 1 1 . 1 1 102 102 MET CA C 102 57.867 57.867 59.320 -1.453 19425 376 1 1 . 1 1 102 102 MET CB C 102 32.414 32.414 32.553 -0.139 19425 377 1 1 . 1 1 102 102 MET H H 102 8.174 8.174 8.368 -0.194 19425 378 1 1 . 1 1 103 103 LYS N N 103 120.555 120.555 119.829 0.726 19425 379 1 1 . 1 1 103 103 LYS C C 103 177.857 177.857 178.887 -1.030 19425 380 1 1 . 1 1 103 103 LYS CA C 103 58.592 58.592 59.936 -1.344 19425 381 1 1 . 1 1 103 103 LYS CB C 103 31.816 31.816 32.553 -0.737 19425 382 1 1 . 1 1 103 103 LYS H H 103 7.899 7.899 8.267 -0.368 19425 383 1 1 . 1 1 104 104 THR N N 104 115.450 115.450 112.507 2.943 19425 384 1 1 . 1 1 104 104 THR C C 104 179.267 179.267 176.737 2.530 19425 385 1 1 . 1 1 104 104 THR CA C 104 64.914 64.914 65.616 -0.702 19425 386 1 1 . 1 1 104 104 THR CB C 104 69.103 69.103 68.830 0.273 19425 387 1 1 . 1 1 104 104 THR H H 104 7.895 7.895 8.068 -0.173 19425 388 1 1 . 1 1 105 105 ALA N N 105 124.862 124.862 124.224 0.638 19425 389 1 1 . 1 1 105 105 ALA C C 105 176.057 176.057 179.001 -2.944 19425 390 1 1 . 1 1 105 105 ALA CA C 105 54.106 54.106 54.953 -0.847 19425 391 1 1 . 1 1 105 105 ALA CB C 105 18.493 18.493 18.411 0.082 19425 392 1 1 . 1 1 105 105 ALA H H 105 7.896 7.896 8.119 -0.223 19425 393 1 1 . 1 1 106 106 GLN N N 106 117.285 117.285 117.297 -0.012 19425 394 1 1 . 1 1 106 106 GLN C C 106 178.655 178.655 177.924 0.731 19425 395 1 1 . 1 1 106 106 GLN CA C 106 56.913 56.913 57.623 -0.710 19425 396 1 1 . 1 1 106 106 GLN CB C 106 29.148 29.148 28.824 0.324 19425 397 1 1 . 1 1 106 106 GLN H H 106 7.944 7.944 8.128 -0.184 19425 398 1 1 . 1 1 107 107 GLY N N 107 107.494 107.494 106.760 0.734 19425 399 1 1 . 1 1 107 107 GLY C C 107 177.597 177.597 175.300 2.297 19425 400 1 1 . 1 1 107 107 GLY CA C 107 45.975 45.975 45.268 0.707 19425 401 1 1 . 1 1 107 107 GLY H H 107 7.852 7.852 7.803 0.049 19425 402 1 1 . 1 1 108 108 GLY N N 108 109.642 109.642 110.425 -0.783 19425 403 1 1 . 1 1 108 108 GLY C C 108 174.740 174.740 173.809 0.931 19425 404 1 1 . 1 1 108 108 GLY CA C 108 45.151 45.151 45.563 -0.412 19425 405 1 1 . 1 1 108 108 GLY H H 108 8.313 8.313 8.081 0.232 19425 406 1 1 . 1 1 109 109 GLY N N 109 108.058 108.058 107.289 0.769 19425 407 1 1 . 1 1 109 109 GLY C C 109 174.313 174.313 173.444 0.869 19425 408 1 1 . 1 1 109 109 GLY CA C 109 44.659 44.659 44.708 -0.049 19425 409 1 1 . 1 1 109 109 GLY H H 109 8.059 8.059 7.787 0.272 19425 410 1 1 . 1 1 110 110 HIS N N 110 118.432 118.432 117.255 1.177 19425 411 1 1 . 1 1 110 110 HIS C C 110 173.348 173.348 173.598 -0.250 19425 412 1 1 . 1 1 110 110 HIS CA C 110 55.590 55.590 57.710 -2.120 19425 413 1 1 . 1 1 110 110 HIS CB C 110 28.502 28.502 27.462 1.040 19425 414 1 1 . 1 1 110 110 HIS H H 110 8.261 8.261 8.296 -0.035 19425 415 1 1 . 1 1 111 111 ARG N N 111 122.052 122.052 118.464 3.588 19425 416 1 1 . 1 1 111 111 ARG C C 111 174.908 174.908 174.826 0.082 19425 417 1 1 . 1 1 111 111 ARG CA C 111 55.233 55.233 54.418 0.815 19425 418 1 1 . 1 1 111 111 ARG CB C 111 31.125 31.125 33.369 -2.244 19425 419 1 1 . 1 1 111 111 ARG H H 111 8.597 8.597 8.273 0.324 19425 420 1 1 . 1 1 112 112 THR N N 112 120.248 120.248 118.241 2.007 19425 421 1 1 . 1 1 112 112 THR C C 112 176.447 176.447 174.524 1.923 19425 422 1 1 . 1 1 112 112 THR CA C 112 63.723 63.723 62.947 0.776 19425 423 1 1 . 1 1 112 112 THR CB C 112 68.984 68.984 69.578 -0.594 19425 424 1 1 . 1 1 112 112 THR H H 112 8.577 8.577 8.355 0.222 19425 425 1 1 . 1 1 113 113 LEU N N 113 130.382 130.382 126.730 3.652 19425 426 1 1 . 1 1 113 113 LEU C C 113 174.294 174.294 175.339 -1.045 19425 427 1 1 . 1 1 113 113 LEU CA C 113 56.791 56.791 54.616 2.175 19425 428 1 1 . 1 1 113 113 LEU CB C 113 41.705 41.705 42.914 -1.209 19425 429 1 1 . 1 1 113 113 LEU H H 113 8.515 8.515 8.771 -0.256 19425 430 1 1 . 1 1 114 114 LEU N N 114 118.829 118.829 121.991 -3.162 19425 431 1 1 . 1 1 114 114 LEU C C 114 175.278 175.278 176.644 -1.366 19425 432 1 1 . 1 1 114 114 LEU CA C 114 51.667 51.667 52.583 -0.916 19425 433 1 1 . 1 1 114 114 LEU CB C 114 42.454 42.454 44.505 -2.051 19425 434 1 1 . 1 1 114 114 LEU H H 114 6.454 6.454 7.991 -1.537 19425 435 1 1 . 1 1 115 115 TYR N N 115 119.059 119.059 121.370 -2.311 19425 436 1 1 . 1 1 115 115 TYR C C 115 177.152 177.152 177.334 -0.182 19425 437 1 1 . 1 1 115 115 TYR CA C 115 62.452 62.452 60.667 1.785 19425 438 1 1 . 1 1 115 115 TYR CB C 115 38.058 38.058 37.961 0.097 19425 439 1 1 . 1 1 115 115 TYR H H 115 8.797 8.797 8.718 0.079 19425 440 1 1 . 1 1 116 116 GLY N N 116 115.795 115.795 113.389 2.406 19425 441 1 1 . 1 1 116 116 GLY C C 116 178.061 178.061 173.916 4.145 19425 442 1 1 . 1 1 116 116 GLY CA C 116 45.100 45.100 45.097 0.002 19425 443 1 1 . 1 1 116 116 GLY H H 116 9.672 9.672 9.139 0.533 19425 444 1 1 . 1 1 117 117 HIS N N 117 122.193 122.193 121.526 0.667 19425 445 1 1 . 1 1 117 117 HIS C C 117 175.463 175.463 173.835 1.628 19425 446 1 1 . 1 1 117 117 HIS CA C 117 56.119 56.119 55.708 0.411 19425 447 1 1 . 1 1 117 117 HIS CB C 117 32.293 32.293 30.323 1.970 19425 448 1 1 . 1 1 117 117 HIS H H 117 8.113 8.113 7.831 0.282 19425 449 1 1 . 1 1 118 118 ALA N N 118 120.893 120.893 126.701 -5.808 19425 450 1 1 . 1 1 118 118 ALA C C 118 173.775 173.775 176.127 -2.352 19425 451 1 1 . 1 1 118 118 ALA CA C 118 50.378 50.378 51.407 -1.029 19425 452 1 1 . 1 1 118 118 ALA CB C 118 21.646 21.646 19.578 2.068 19425 453 1 1 . 1 1 118 118 ALA H H 118 9.458 9.458 8.967 0.491 19425 454 1 1 . 1 1 120 120 LEU N N 120 119.631 119.631 124.114 -4.483 19425 455 1 1 . 1 1 120 120 LEU C C 120 173.367 173.367 174.746 -1.379 19425 456 1 1 . 1 1 120 120 LEU CA C 120 56.217 56.217 52.866 3.351 19425 457 1 1 . 1 1 120 120 LEU CB C 120 39.519 39.519 43.871 -4.352 19425 458 1 1 . 1 1 120 120 LEU H H 120 8.746 8.746 8.227 0.519 19425 459 1 1 . 1 1 121 121 LEU N N 121 118.900 118.900 127.031 -8.131 19425 460 1 1 . 1 1 121 121 LEU C C 121 171.400 171.400 175.738 -4.338 19425 461 1 1 . 1 1 121 121 LEU CA C 121 52.852 52.852 53.727 -0.875 19425 462 1 1 . 1 1 121 121 LEU CB C 121 43.452 43.452 42.726 0.726 19425 463 1 1 . 1 1 121 121 LEU H H 121 8.590 8.590 8.553 0.037 19425 464 1 1 . 1 1 122 122 ARG N N 122 123.588 123.588 124.985 -1.397 19425 465 1 1 . 1 1 122 122 ARG C C 122 176.465 176.465 175.465 1.000 19425 466 1 1 . 1 1 122 122 ARG CA C 122 54.403 54.403 53.999 0.404 19425 467 1 1 . 1 1 122 122 ARG CB C 122 32.897 32.897 31.653 1.244 19425 468 1 1 . 1 1 122 122 ARG H H 122 9.077 9.077 8.747 0.330 19425 469 1 1 . 1 1 123 123 HIS N N 123 131.440 131.440 127.613 3.827 19425 470 1 1 . 1 1 123 123 HIS C C 123 175.704 175.704 175.671 0.033 19425 471 1 1 . 1 1 123 123 HIS CA C 123 56.637 56.637 56.798 -0.161 19425 472 1 1 . 1 1 123 123 HIS CB C 123 31.261 31.261 30.006 1.255 19425 473 1 1 . 1 1 123 123 HIS H H 123 9.622 9.622 8.502 1.120 19425 474 1 1 . 1 1 124 124 SER N N 124 127.024 127.024 124.575 2.449 19425 475 1 1 . 1 1 124 124 SER C C 124 175.686 175.686 175.577 0.109 19425 476 1 1 . 1 1 124 124 SER CA C 124 62.010 62.010 61.998 0.012 19425 477 1 1 . 1 1 124 124 SER CB C 124 62.912 62.912 63.080 -0.168 19425 478 1 1 . 1 1 124 124 SER H H 124 7.840 7.840 7.778 0.062 19425 479 1 1 . 1 1 125 125 TYR N N 125 119.708 119.708 120.136 -0.428 19425 480 1 1 . 1 1 125 125 TYR C C 125 180.696 180.696 177.383 3.313 19425 481 1 1 . 1 1 125 125 TYR CA C 125 60.903 60.903 60.581 0.322 19425 482 1 1 . 1 1 125 125 TYR CB C 125 38.744 38.744 38.347 0.397 19425 483 1 1 . 1 1 125 125 TYR H H 125 8.746 8.746 7.496 1.250 19425 484 1 1 . 1 1 126 126 SER N N 126 110.333 110.333 113.243 -2.910 19425 485 1 1 . 1 1 126 126 SER C C 126 176.543 176.543 175.929 0.614 19425 486 1 1 . 1 1 126 126 SER CA C 126 59.366 59.366 59.310 0.056 19425 487 1 1 . 1 1 126 126 SER CB C 126 65.282 65.282 64.280 1.002 19425 488 1 1 . 1 1 126 126 SER H H 126 7.004 7.004 8.180 -1.176 19425 489 1 1 . 1 1 127 127 GLY N N 127 113.322 113.322 109.118 4.204 19425 490 1 1 . 1 1 127 127 GLY C C 127 176.428 176.428 174.660 1.768 19425 491 1 1 . 1 1 127 127 GLY CA C 127 46.064 46.064 45.789 0.275 19425 492 1 1 . 1 1 127 127 GLY H H 127 8.181 8.181 8.392 -0.211 19425 493 1 1 . 1 1 128 128 MET N N 128 118.598 118.598 118.646 -0.048 19425 494 1 1 . 1 1 128 128 MET C C 128 173.200 173.200 175.070 -1.870 19425 495 1 1 . 1 1 128 128 MET CA C 128 55.429 55.429 56.661 -1.232 19425 496 1 1 . 1 1 128 128 MET CB C 128 35.988 35.988 34.688 1.300 19425 497 1 1 . 1 1 128 128 MET H H 128 7.551 7.551 7.473 0.078 19425 498 1 1 . 1 1 129 129 TYR N N 129 116.715 116.715 114.424 2.291 19425 499 1 1 . 1 1 129 129 TYR C C 129 172.884 172.884 175.837 -2.953 19425 500 1 1 . 1 1 129 129 TYR CA C 129 58.658 58.658 57.134 1.524 19425 501 1 1 . 1 1 129 129 TYR CB C 129 40.914 40.914 41.215 -0.301 19425 502 1 1 . 1 1 129 129 TYR H H 129 8.923 8.923 8.493 0.430 19425 503 1 1 . 1 1 130 130 LEU N N 130 123.061 123.061 125.906 -2.845 19425 504 1 1 . 1 1 130 130 LEU C C 130 176.677 176.677 176.718 -0.041 19425 505 1 1 . 1 1 130 130 LEU CA C 130 56.311 56.311 56.214 0.097 19425 506 1 1 . 1 1 130 130 LEU CB C 130 42.909 42.909 42.460 0.449 19425 507 1 1 . 1 1 130 130 LEU H H 130 8.236 8.236 8.887 -0.651 19425 508 1 1 . 1 1 131 131 CYS N N 131 126.618 126.618 124.609 2.009 19425 509 1 1 . 1 1 131 131 CYS C C 131 177.616 177.616 173.496 4.120 19425 510 1 1 . 1 1 131 131 CYS CA C 131 57.028 57.028 55.632 1.396 19425 511 1 1 . 1 1 131 131 CYS CB C 131 32.339 32.339 30.722 1.617 19425 512 1 1 . 1 1 131 131 CYS H H 131 9.516 9.516 9.566 -0.050 19425 513 1 1 . 1 1 132 132 CYS N N 132 124.860 124.860 123.846 1.014 19425 514 1 1 . 1 1 132 132 CYS C C 132 172.309 172.309 174.522 -2.213 19425 515 1 1 . 1 1 132 132 CYS CA C 132 59.436 59.436 57.930 1.506 19425 516 1 1 . 1 1 132 132 CYS CB C 132 27.383 27.383 26.426 0.957 19425 517 1 1 . 1 1 132 132 CYS H H 132 8.142 8.142 8.264 -0.122 19425 518 1 1 . 1 1 133 133 LEU N N 133 131.382 131.382 128.630 2.752 19425 519 1 1 . 1 1 133 133 LEU C C 133 174.035 174.035 177.901 -3.866 19425 520 1 1 . 1 1 133 133 LEU CA C 133 54.799 54.799 54.549 0.250 19425 521 1 1 . 1 1 133 133 LEU CB C 133 41.109 41.109 42.468 -1.359 19425 522 1 1 . 1 1 133 133 LEU H H 133 9.008 9.008 8.256 0.752 19425 523 1 1 . 1 1 134 134 SER N N 134 112.103 112.103 114.422 -2.319 19425 524 1 1 . 1 1 134 134 SER C C 134 175.519 175.519 174.020 1.499 19425 525 1 1 . 1 1 134 134 SER CA C 134 58.320 58.320 58.725 -0.405 19425 526 1 1 . 1 1 134 134 SER CB C 134 63.979 63.979 62.751 1.228 19425 527 1 1 . 1 1 134 134 SER H H 134 8.229 8.229 8.664 -0.435 19425 528 1 1 . 1 1 135 135 THR N N 135 111.693 111.693 112.934 -1.241 19425 529 1 1 . 1 1 135 135 THR C C 135 174.535 174.535 174.923 -0.388 19425 530 1 1 . 1 1 135 135 THR CA C 135 60.703 60.703 60.185 0.518 19425 531 1 1 . 1 1 135 135 THR CB C 135 70.624 70.624 70.613 0.011 19425 532 1 1 . 1 1 135 135 THR H H 135 7.292 7.292 7.378 -0.086 19425 533 1 1 . 1 1 136 136 SER N N 136 117.260 117.260 123.084 -5.824 19425 534 1 1 . 1 1 136 136 SER C C 136 173.478 173.478 175.179 -1.701 19425 535 1 1 . 1 1 136 136 SER CA C 136 57.537 57.537 61.421 -3.884 19425 536 1 1 . 1 1 136 136 SER CB C 136 64.593 64.593 63.738 0.855 19425 537 1 1 . 1 1 136 136 SER H H 136 8.544 8.544 9.164 -0.620 19425 538 1 1 . 1 1 137 137 ARG N N 137 124.804 124.804 117.412 7.392 19425 539 1 1 . 1 1 137 137 ARG C C 137 175.000 175.000 175.562 -0.562 19425 540 1 1 . 1 1 137 137 ARG CA C 137 56.922 56.922 57.613 -0.691 19425 541 1 1 . 1 1 137 137 ARG CB C 137 30.733 30.733 27.840 2.893 19425 542 1 1 . 1 1 137 137 ARG H H 137 9.231 9.231 9.030 0.201 19425 543 1 1 . 1 1 138 138 SER N N 138 126.225 126.225 112.076 14.149 19425 544 1 1 . 1 1 138 138 SER C C 138 175.871 175.871 174.006 1.865 19425 545 1 1 . 1 1 138 138 SER CA C 138 61.891 61.891 58.770 3.121 19425 546 1 1 . 1 1 138 138 SER CB C 138 62.730 62.730 64.708 -1.978 19425 547 1 1 . 1 1 138 138 SER H H 138 7.891 7.891 8.376 -0.485 19425 548 1 1 . 1 1 140 140 THR N N 140 114.799 114.799 112.388 2.411 19425 549 1 1 . 1 1 140 140 THR C C 140 173.756 173.756 174.765 -1.009 19425 550 1 1 . 1 1 140 140 THR CA C 140 62.895 62.895 63.033 -0.138 19425 551 1 1 . 1 1 140 140 THR CB C 140 69.332 69.332 68.856 0.476 19425 552 1 1 . 1 1 140 140 THR H H 140 8.168 8.168 8.307 -0.139 19425 553 1 1 . 1 1 141 141 ASP N N 141 121.772 121.772 122.306 -0.534 19425 554 1 1 . 1 1 141 141 ASP C C 141 174.795 174.795 174.879 -0.084 19425 555 1 1 . 1 1 141 141 ASP CA C 141 54.001 54.001 54.677 -0.676 19425 556 1 1 . 1 1 141 141 ASP CB C 141 40.914 40.914 40.754 0.160 19425 557 1 1 . 1 1 141 141 ASP H H 141 8.049 8.049 7.640 0.409 19425 558 1 1 . 1 1 142 142 LYS N N 142 121.585 121.585 118.208 3.377 19425 559 1 1 . 1 1 142 142 LYS C C 142 176.274 176.274 176.154 0.120 19425 560 1 1 . 1 1 142 142 LYS CA C 142 57.106 57.106 56.500 0.606 19425 561 1 1 . 1 1 142 142 LYS CB C 142 31.369 31.369 31.380 -0.011 19425 562 1 1 . 1 1 142 142 LYS H H 142 8.376 8.376 7.711 0.665 19425 563 1 1 . 1 1 143 143 LEU N N 143 119.604 119.604 118.728 0.876 19425 564 1 1 . 1 1 143 143 LEU C C 143 176.798 176.798 176.842 -0.044 19425 565 1 1 . 1 1 143 143 LEU CA C 143 55.261 55.261 57.734 -2.473 19425 566 1 1 . 1 1 143 143 LEU CB C 143 41.487 41.487 41.391 0.096 19425 567 1 1 . 1 1 143 143 LEU H H 143 8.262 8.262 7.924 0.338 19425 568 1 1 . 1 1 144 144 ALA N N 144 123.881 123.881 116.084 7.797 19425 569 1 1 . 1 1 144 144 ALA C C 144 176.410 176.410 176.582 -0.172 19425 570 1 1 . 1 1 144 144 ALA CA C 144 51.335 51.335 50.523 0.812 19425 571 1 1 . 1 1 144 144 ALA CB C 144 20.924 20.924 20.957 -0.033 19425 572 1 1 . 1 1 144 144 ALA H H 144 7.614 7.614 7.598 0.016 19425 573 1 1 . 1 1 145 145 PHE N N 145 120.083 120.083 118.375 1.708 19425 574 1 1 . 1 1 145 145 PHE C C 145 176.948 176.948 175.459 1.489 19425 575 1 1 . 1 1 145 145 PHE CA C 145 55.872 55.872 56.817 -0.945 19425 576 1 1 . 1 1 145 145 PHE CB C 145 42.468 42.468 41.281 1.188 19425 577 1 1 . 1 1 145 145 PHE H H 145 8.647 8.647 8.737 -0.090 19425 578 1 1 . 1 1 146 146 ASP N N 146 119.893 119.893 119.823 0.070 19425 579 1 1 . 1 1 146 146 ASP C C 146 175.519 175.519 174.746 0.773 19425 580 1 1 . 1 1 146 146 ASP CA C 146 54.679 54.679 54.272 0.407 19425 581 1 1 . 1 1 146 146 ASP CB C 146 42.169 42.169 43.058 -0.889 19425 582 1 1 . 1 1 146 146 ASP H H 146 8.692 8.692 8.852 -0.160 19425 583 1 1 . 1 1 147 147 VAL N N 147 118.800 118.800 121.750 -2.950 19425 584 1 1 . 1 1 147 147 VAL C C 147 174.053 174.053 175.523 -1.470 19425 585 1 1 . 1 1 147 147 VAL CA C 147 60.671 60.671 61.386 -0.716 19425 586 1 1 . 1 1 147 147 VAL CB C 147 35.326 35.326 33.063 2.263 19425 587 1 1 . 1 1 147 147 VAL H H 147 8.224 8.224 8.623 -0.399 19425 588 1 1 . 1 1 148 148 GLY N N 148 113.226 113.226 114.619 -1.393 19425 589 1 1 . 1 1 148 148 GLY C C 148 175.141 175.141 172.181 2.960 19425 590 1 1 . 1 1 148 148 GLY CA C 148 45.384 45.384 43.640 1.744 19425 591 1 1 . 1 1 148 148 GLY H H 148 8.594 8.594 8.809 -0.215 19425 592 1 1 . 1 1 149 149 LEU N N 149 120.880 120.880 119.478 1.402 19425 593 1 1 . 1 1 149 149 LEU C C 149 170.973 170.973 175.143 -4.170 19425 594 1 1 . 1 1 149 149 LEU CA C 149 53.299 53.299 53.707 -0.408 19425 595 1 1 . 1 1 149 149 LEU CB C 149 43.938 43.938 45.235 -1.297 19425 596 1 1 . 1 1 149 149 LEU H H 149 8.303 8.303 8.094 0.209 19425 597 1 1 . 1 1 150 150 GLN N N 150 118.978 118.978 120.439 -1.461 19425 598 1 1 . 1 1 150 150 GLN C C 150 177.133 177.133 175.949 1.184 19425 599 1 1 . 1 1 150 150 GLN CA C 150 54.723 54.723 54.836 -0.113 19425 600 1 1 . 1 1 150 150 GLN CB C 150 32.690 32.690 32.230 0.460 19425 601 1 1 . 1 1 150 150 GLN H H 150 9.115 9.115 8.736 0.379 19425 602 1 1 . 1 1 151 151 GLU N N 151 121.344 121.344 123.511 -2.167 19425 603 1 1 . 1 1 151 151 GLU C C 151 175.333 175.333 176.122 -0.789 19425 604 1 1 . 1 1 151 151 GLU CA C 151 59.140 59.140 58.397 0.743 19425 605 1 1 . 1 1 151 151 GLU CB C 151 30.735 30.735 29.936 0.799 19425 606 1 1 . 1 1 151 151 GLU H H 151 9.142 9.142 8.760 0.382 19425 607 1 1 . 1 1 152 152 ASP N N 152 117.494 117.494 118.063 -0.569 19425 608 1 1 . 1 1 152 152 ASP C C 152 176.391 176.391 176.984 -0.593 19425 609 1 1 . 1 1 152 152 ASP CA C 152 54.139 54.139 54.228 -0.089 19425 610 1 1 . 1 1 152 152 ASP CB C 152 41.920 41.920 41.642 0.277 19425 611 1 1 . 1 1 152 152 ASP H H 152 8.023 8.023 8.130 -0.107 19425 612 1 1 . 1 1 153 153 THR N N 153 111.969 111.969 108.596 3.373 19425 613 1 1 . 1 1 153 153 THR C C 153 175.964 175.964 174.658 1.306 19425 614 1 1 . 1 1 153 153 THR CA C 153 61.894 61.894 61.939 -0.045 19425 615 1 1 . 1 1 153 153 THR CB C 153 68.903 68.903 69.320 -0.417 19425 616 1 1 . 1 1 153 153 THR H H 153 7.985 7.985 8.138 -0.153 19425 617 1 1 . 1 1 154 154 THR N N 154 113.978 113.978 115.428 -1.450 19425 618 1 1 . 1 1 154 154 THR C C 154 175.000 175.000 174.733 0.267 19425 619 1 1 . 1 1 154 154 THR CA C 154 62.359 62.359 63.222 -0.863 19425 620 1 1 . 1 1 154 154 THR CB C 154 69.210 69.210 68.928 0.282 19425 621 1 1 . 1 1 154 154 THR H H 154 7.790 7.790 7.660 0.130 19425 622 1 1 . 1 1 155 155 GLY N N 155 108.411 108.411 114.929 -6.518 19425 623 1 1 . 1 1 155 155 GLY C C 155 174.702 174.702 172.698 2.004 19425 624 1 1 . 1 1 155 155 GLY CA C 155 44.737 44.737 44.678 0.059 19425 625 1 1 . 1 1 155 155 GLY H H 155 7.639 7.639 8.009 -0.370 19425 626 1 1 . 1 1 156 156 GLU N N 156 118.666 118.666 120.797 -2.131 19425 627 1 1 . 1 1 156 156 GLU C C 156 173.571 173.571 177.808 -4.237 19425 628 1 1 . 1 1 156 156 GLU CA C 156 59.352 59.352 56.946 2.406 19425 629 1 1 . 1 1 156 156 GLU CB C 156 31.248 31.248 30.328 0.920 19425 630 1 1 . 1 1 156 156 GLU H H 156 8.606 8.606 8.688 -0.082 19425 631 1 1 . 1 1 157 157 ALA N N 157 118.664 118.664 123.932 -5.268 19425 632 1 1 . 1 1 157 157 ALA C C 157 177.727 177.727 178.486 -0.759 19425 633 1 1 . 1 1 157 157 ALA CA C 157 55.063 55.063 54.541 0.522 19425 634 1 1 . 1 1 157 157 ALA CB C 157 18.856 18.856 18.256 0.601 19425 635 1 1 . 1 1 157 157 ALA H H 157 8.159 8.159 8.466 -0.307 19425 636 1 1 . 1 1 158 158 CYS N N 158 114.681 114.681 114.823 -0.142 19425 637 1 1 . 1 1 158 158 CYS C C 158 179.972 179.972 173.604 6.368 19425 638 1 1 . 1 1 158 158 CYS CA C 158 57.585 57.585 58.592 -1.007 19425 639 1 1 . 1 1 158 158 CYS CB C 158 27.977 27.977 27.089 0.888 19425 640 1 1 . 1 1 158 158 CYS H H 158 7.973 7.973 8.223 -0.250 19425 641 1 1 . 1 1 165 165 ALA N N 165 122.416 122.416 127.583 -5.167 19425 642 1 1 . 1 1 165 165 ALA C C 165 176.743 176.743 177.838 -1.095 19425 643 1 1 . 1 1 165 165 ALA CA C 165 52.390 52.390 53.669 -1.278 19425 644 1 1 . 1 1 165 165 ALA CB C 165 20.486 20.486 19.311 1.175 19425 645 1 1 . 1 1 165 165 ALA H H 165 8.190 8.190 8.590 -0.400 19425 646 1 1 . 1 1 166 166 SER N N 166 111.681 111.681 113.394 -1.713 19425 647 1 1 . 1 1 166 166 SER C C 166 176.876 176.876 174.381 2.495 19425 648 1 1 . 1 1 166 166 SER CA C 166 56.863 56.863 57.055 -0.192 19425 649 1 1 . 1 1 166 166 SER CB C 166 65.738 65.738 64.491 1.247 19425 650 1 1 . 1 1 166 166 SER H H 166 7.690 7.690 7.721 -0.031 19425 651 1 1 . 1 1 167 167 LYS N N 167 121.655 121.655 118.975 2.680 19425 652 1 1 . 1 1 167 167 LYS C C 167 175.241 175.241 176.330 -1.089 19425 653 1 1 . 1 1 167 167 LYS CA C 167 55.297 55.297 57.224 -1.927 19425 654 1 1 . 1 1 167 167 LYS CB C 167 31.364 31.364 32.403 -1.039 19425 655 1 1 . 1 1 167 167 LYS H H 167 8.230 8.230 8.457 -0.227 19425 656 1 1 . 1 1 168 168 GLN N N 168 117.832 117.832 116.488 1.344 19425 657 1 1 . 1 1 168 168 GLN C C 168 176.836 176.836 176.415 0.421 19425 658 1 1 . 1 1 168 168 GLN CA C 168 57.366 57.366 56.483 0.883 19425 659 1 1 . 1 1 168 168 GLN CB C 168 28.979 28.979 28.642 0.337 19425 660 1 1 . 1 1 168 168 GLN H H 168 8.134 8.134 8.224 -0.090 19425 661 1 1 . 1 1 169 169 ARG N N 169 117.052 117.052 120.304 -3.252 19425 662 1 1 . 1 1 169 169 ARG C C 169 175.946 175.946 175.366 0.580 19425 663 1 1 . 1 1 169 169 ARG CA C 169 52.885 52.885 55.000 -2.115 19425 664 1 1 . 1 1 169 169 ARG CB C 169 32.795 32.795 30.801 1.994 19425 665 1 1 . 1 1 169 169 ARG H H 169 7.209 7.209 7.735 -0.526 19425 666 1 1 . 1 1 170 170 SER N N 170 114.335 114.335 114.396 -0.061 19425 667 1 1 . 1 1 170 170 SER C C 170 174.387 174.387 173.299 1.088 19425 668 1 1 . 1 1 170 170 SER CA C 170 56.976 56.976 56.726 0.250 19425 669 1 1 . 1 1 170 170 SER CB C 170 66.348 66.348 66.881 -0.533 19425 670 1 1 . 1 1 170 170 SER H H 170 8.279 8.279 8.376 -0.097 19425 671 1 1 . 1 1 171 171 GLU N N 171 121.428 121.428 120.856 0.572 19425 672 1 1 . 1 1 171 171 GLU C C 171 173.293 173.293 177.343 -4.050 19425 673 1 1 . 1 1 171 171 GLU CA C 171 58.658 58.658 57.300 1.358 19425 674 1 1 . 1 1 171 171 GLU CB C 171 28.693 28.693 28.660 0.033 19425 675 1 1 . 1 1 171 171 GLU H H 171 8.540 8.540 8.714 -0.174 19425 676 1 1 . 1 1 172 172 GLY N N 172 113.162 113.162 114.365 -1.203 19425 677 1 1 . 1 1 172 172 GLY C C 172 177.504 177.504 174.572 2.932 19425 678 1 1 . 1 1 172 172 GLY CA C 172 45.452 45.452 44.941 0.511 19425 679 1 1 . 1 1 172 172 GLY H H 172 8.676 8.676 9.061 -0.385 19425 680 1 1 . 1 1 173 173 GLU N N 173 119.545 119.545 121.376 -1.831 19425 681 1 1 . 1 1 173 173 GLU C C 173 173.311 173.311 176.068 -2.757 19425 682 1 1 . 1 1 173 173 GLU CA C 173 55.689 55.689 56.692 -1.003 19425 683 1 1 . 1 1 173 173 GLU CB C 173 31.204 31.204 30.785 0.419 19425 684 1 1 . 1 1 173 173 GLU H H 173 7.805 7.805 7.836 -0.031 19425 685 1 1 . 1 1 174 174 LYS N N 174 120.834 120.834 121.016 -0.182 19425 686 1 1 . 1 1 174 174 LYS C C 174 175.352 175.352 176.714 -1.362 19425 687 1 1 . 1 1 174 174 LYS CA C 174 57.207 57.207 56.711 0.496 19425 688 1 1 . 1 1 174 174 LYS CB C 174 34.185 34.185 32.734 1.451 19425 689 1 1 . 1 1 174 174 LYS H H 174 8.215 8.215 8.390 -0.175 19425 690 1 1 . 1 1 175 175 VAL N N 175 122.529 122.529 124.577 -2.048 19425 691 1 1 . 1 1 175 175 VAL C C 175 176.595 176.595 175.724 0.871 19425 692 1 1 . 1 1 175 175 VAL CA C 175 63.046 63.046 62.106 0.940 19425 693 1 1 . 1 1 175 175 VAL CB C 175 31.265 31.265 31.795 -0.530 19425 694 1 1 . 1 1 175 175 VAL H H 175 7.914 7.914 8.664 -0.750 19425 695 1 1 . 1 1 176 176 ARG N N 176 127.622 127.622 127.144 0.478 19425 696 1 1 . 1 1 176 176 ARG C C 176 175.742 175.742 176.910 -1.168 19425 697 1 1 . 1 1 176 176 ARG CA C 176 55.767 55.767 53.245 2.522 19425 698 1 1 . 1 1 176 176 ARG CB C 176 30.480 30.480 31.325 -0.845 19425 699 1 1 . 1 1 176 176 ARG H H 176 7.570 7.570 8.577 -1.007 19425 700 1 1 . 1 1 177 177 VAL N N 177 122.521 122.521 121.537 0.984 19425 701 1 1 . 1 1 177 177 VAL C C 177 177.523 177.523 177.232 0.291 19425 702 1 1 . 1 1 177 177 VAL CA C 177 65.322 65.322 64.433 0.889 19425 703 1 1 . 1 1 177 177 VAL CB C 177 31.431 31.431 31.314 0.117 19425 704 1 1 . 1 1 177 177 VAL H H 177 8.276 8.276 7.970 0.306 19425 705 1 1 . 1 1 179 179 ASP N N 179 122.577 122.577 123.335 -0.758 19425 706 1 1 . 1 1 179 179 ASP C C 179 174.554 174.554 175.816 -1.262 19425 707 1 1 . 1 1 179 179 ASP CA C 179 54.687 54.687 54.694 -0.007 19425 708 1 1 . 1 1 179 179 ASP CB C 179 40.417 40.417 41.196 -0.779 19425 709 1 1 . 1 1 179 179 ASP H H 179 7.848 7.848 7.917 -0.069 19425 710 1 1 . 1 1 180 180 ASP N N 180 121.916 121.916 124.489 -2.573 19425 711 1 1 . 1 1 180 180 ASP C C 180 174.610 174.610 175.706 -1.096 19425 712 1 1 . 1 1 180 180 ASP CA C 180 54.379 54.379 54.932 -0.553 19425 713 1 1 . 1 1 180 180 ASP CB C 180 42.178 42.178 40.706 1.472 19425 714 1 1 . 1 1 180 180 ASP H H 180 8.521 8.521 8.569 -0.048 19425 715 1 1 . 1 1 181 181 LEU N N 181 121.499 121.499 123.776 -2.277 19425 716 1 1 . 1 1 181 181 LEU C C 181 175.166 175.166 176.738 -1.572 19425 717 1 1 . 1 1 181 181 LEU CA C 181 54.379 54.379 53.725 0.654 19425 718 1 1 . 1 1 181 181 LEU CB C 181 45.395 45.395 44.401 0.994 19425 719 1 1 . 1 1 181 181 LEU H H 181 9.782 9.782 9.098 0.684 19425 720 1 1 . 1 1 185 185 SER N N 185 122.939 122.939 122.407 0.532 19425 721 1 1 . 1 1 185 185 SER C C 185 175.871 175.871 175.827 0.044 19425 722 1 1 . 1 1 185 185 SER CA C 185 57.514 57.514 57.961 -0.447 19425 723 1 1 . 1 1 185 185 SER CB C 185 62.772 62.772 63.433 -0.661 19425 724 1 1 . 1 1 185 185 SER H H 185 9.183 9.183 9.016 0.167 19425 725 1 1 . 1 1 186 186 VAL N N 186 131.799 131.799 127.232 4.567 19425 726 1 1 . 1 1 186 186 VAL C C 186 177.226 177.226 176.906 0.320 19425 727 1 1 . 1 1 186 186 VAL CA C 186 65.883 65.883 65.551 0.332 19425 728 1 1 . 1 1 186 186 VAL CB C 186 31.190 31.190 31.717 -0.527 19425 729 1 1 . 1 1 186 186 VAL H H 186 8.285 8.285 8.174 0.111 19425 730 1 1 . 1 1 187 187 SER N N 187 110.228 110.228 114.556 -4.328 19425 731 1 1 . 1 1 187 187 SER C C 187 177.077 177.077 175.604 1.473 19425 732 1 1 . 1 1 187 187 SER CA C 187 60.200 60.200 60.565 -0.365 19425 733 1 1 . 1 1 187 187 SER CB C 187 62.264 62.264 63.547 -1.283 19425 734 1 1 . 1 1 187 187 SER H H 187 7.000 7.000 7.985 -0.985 19425 735 1 1 . 1 1 188 188 SER N N 188 115.022 115.022 115.590 -0.568 19425 736 1 1 . 1 1 188 188 SER C C 188 176.632 176.632 173.638 2.994 19425 737 1 1 . 1 1 188 188 SER CA C 188 58.889 58.889 57.809 1.081 19425 738 1 1 . 1 1 188 188 SER CB C 188 66.818 66.818 63.676 3.142 19425 739 1 1 . 1 1 188 188 SER H H 188 7.886 7.886 7.497 0.389 19425 740 1 1 . 1 1 189 189 GLU N N 189 118.477 118.477 118.462 0.015 19425 741 1 1 . 1 1 189 189 GLU C C 189 175.000 175.000 174.822 0.178 19425 742 1 1 . 1 1 189 189 GLU CA C 189 58.562 58.562 58.052 0.510 19425 743 1 1 . 1 1 189 189 GLU CB C 189 27.420 27.420 27.260 0.160 19425 744 1 1 . 1 1 189 189 GLU H H 189 7.929 7.929 8.284 -0.355 19425 745 1 1 . 1 1 190 190 ARG N N 190 116.828 116.828 117.694 -0.866 19425 746 1 1 . 1 1 190 190 ARG C C 190 173.868 173.868 175.964 -2.096 19425 747 1 1 . 1 1 190 190 ARG CA C 190 54.238 54.238 54.615 -0.377 19425 748 1 1 . 1 1 190 190 ARG CB C 190 32.141 32.141 32.635 -0.494 19425 749 1 1 . 1 1 190 190 ARG H H 190 6.723 6.723 8.034 -1.311 19425 750 1 1 . 1 1 191 191 TYR N N 191 118.733 118.733 121.160 -2.427 19425 751 1 1 . 1 1 191 191 TYR C C 191 174.368 174.368 177.362 -2.994 19425 752 1 1 . 1 1 191 191 TYR CA C 191 57.405 57.405 58.676 -1.271 19425 753 1 1 . 1 1 191 191 TYR CB C 191 39.444 39.444 39.476 -0.032 19425 754 1 1 . 1 1 191 191 TYR H H 191 8.912 8.912 8.967 -0.055 19425 755 1 1 . 1 1 192 192 LEU N N 192 123.460 123.460 124.425 -0.965 19425 756 1 1 . 1 1 192 192 LEU C C 192 176.753 176.753 176.054 0.699 19425 757 1 1 . 1 1 192 192 LEU CA C 192 57.061 57.061 54.156 2.905 19425 758 1 1 . 1 1 192 192 LEU CB C 192 41.351 41.351 40.590 0.761 19425 759 1 1 . 1 1 192 192 LEU H H 192 8.836 8.836 8.902 -0.066 19425 760 1 1 . 1 1 193 193 HIS N N 193 134.195 134.195 125.205 8.990 19425 761 1 1 . 1 1 193 193 HIS C C 193 178.766 178.766 174.383 4.383 19425 762 1 1 . 1 1 193 193 HIS CA C 193 56.349 56.349 56.038 0.312 19425 763 1 1 . 1 1 193 193 HIS CB C 193 31.613 31.613 31.812 -0.199 19425 764 1 1 . 1 1 193 193 HIS H H 193 10.227 10.227 8.856 1.371 19425 765 1 1 . 1 1 194 194 LEU N N 194 128.500 128.500 127.285 1.215 19425 766 1 1 . 1 1 194 194 LEU C C 194 170.268 170.268 175.270 -5.002 19425 767 1 1 . 1 1 194 194 LEU CA C 194 54.139 54.139 53.680 0.459 19425 768 1 1 . 1 1 194 194 LEU CB C 194 44.036 44.036 43.830 0.206 19425 769 1 1 . 1 1 194 194 LEU H H 194 7.784 7.784 7.623 0.161 19425 770 1 1 . 1 1 195 195 SER N N 195 122.195 122.195 122.368 -0.173 19425 771 1 1 . 1 1 195 195 SER C C 195 174.740 174.740 173.422 1.318 19425 772 1 1 . 1 1 195 195 SER CA C 195 56.814 56.814 57.134 -0.320 19425 773 1 1 . 1 1 195 195 SER CB C 195 66.260 66.260 66.009 0.251 19425 774 1 1 . 1 1 195 195 SER H H 195 9.042 9.042 9.059 -0.017 19425 775 1 1 . 1 1 196 196 TYR N N 196 124.809 124.809 126.194 -1.385 19425 776 1 1 . 1 1 196 196 TYR C C 196 172.439 172.439 175.656 -3.217 19425 777 1 1 . 1 1 196 196 TYR CA C 196 57.019 57.019 56.881 0.138 19425 778 1 1 . 1 1 196 196 TYR CB C 196 39.817 39.817 38.238 1.579 19425 779 1 1 . 1 1 196 196 TYR H H 196 8.657 8.657 8.906 -0.249 19425 780 1 1 . 1 1 197 197 GLY N N 197 114.111 114.111 115.072 -0.961 19425 781 1 1 . 1 1 197 197 GLY C C 197 176.113 176.113 173.945 2.168 19425 782 1 1 . 1 1 197 197 GLY CA C 197 45.492 45.492 44.141 1.351 19425 783 1 1 . 1 1 197 197 GLY H H 197 8.030 8.030 8.072 -0.042 19425 784 1 1 . 1 1 200 200 SER N N 200 113.158 113.158 115.678 -2.520 19425 785 1 1 . 1 1 200 200 SER C C 200 172.661 172.661 172.150 0.511 19425 786 1 1 . 1 1 200 200 SER CA C 200 56.890 56.890 57.130 -0.240 19425 787 1 1 . 1 1 200 200 SER CB C 200 65.522 65.522 65.827 -0.305 19425 788 1 1 . 1 1 200 200 SER H H 200 6.893 6.893 7.517 -0.624 19425 789 1 1 . 1 1 201 201 TRP N N 201 122.521 122.521 120.105 2.416 19425 790 1 1 . 1 1 201 201 TRP C C 201 171.813 171.813 175.971 -4.158 19425 791 1 1 . 1 1 201 201 TRP CA C 201 56.990 56.990 56.338 0.652 19425 792 1 1 . 1 1 201 201 TRP CB C 201 31.501 31.501 32.038 -0.537 19425 793 1 1 . 1 1 201 201 TRP H H 201 8.243 8.243 8.185 0.058 19425 794 1 1 . 1 1 202 202 HIS N N 202 121.171 121.171 118.532 2.639 19425 795 1 1 . 1 1 202 202 HIS C C 202 173.805 173.805 173.652 0.153 19425 796 1 1 . 1 1 202 202 HIS CA C 202 55.169 55.169 54.846 0.323 19425 797 1 1 . 1 1 202 202 HIS CB C 202 32.254 32.254 34.120 -1.867 19425 798 1 1 . 1 1 202 202 HIS H H 202 9.383 9.383 9.407 -0.024 19425 799 1 1 . 1 1 203 203 VAL N N 203 119.943 119.943 121.493 -1.550 19425 800 1 1 . 1 1 203 203 VAL C C 203 172.439 172.439 174.436 -1.997 19425 801 1 1 . 1 1 203 203 VAL CA C 203 58.683 58.683 59.640 -0.957 19425 802 1 1 . 1 1 203 203 VAL CB C 203 33.957 33.957 34.578 -0.621 19425 803 1 1 . 1 1 203 203 VAL H H 203 8.649 8.649 8.843 -0.194 19425 804 1 1 . 1 1 204 204 ASP N N 204 127.907 127.907 126.055 1.852 19425 805 1 1 . 1 1 204 204 ASP C C 204 173.162 173.162 173.801 -0.639 19425 806 1 1 . 1 1 204 204 ASP CA C 204 53.545 53.545 52.857 0.688 19425 807 1 1 . 1 1 204 204 ASP CB C 204 42.169 42.169 44.283 -2.114 19425 808 1 1 . 1 1 204 204 ASP H H 204 9.822 9.822 9.080 0.742 19425 809 1 1 . 1 1 205 205 ALA N N 205 121.047 121.047 121.201 -0.154 19425 810 1 1 . 1 1 205 205 ALA C C 205 172.754 172.754 176.237 -3.483 19425 811 1 1 . 1 1 205 205 ALA CA C 205 50.147 50.147 50.600 -0.453 19425 812 1 1 . 1 1 205 205 ALA CB C 205 19.642 19.642 19.431 0.211 19425 813 1 1 . 1 1 205 205 ALA H H 205 9.176 9.176 8.354 0.822 19425 814 1 1 . 1 1 206 206 ALA N N 206 127.318 127.318 127.466 -0.148 19425 815 1 1 . 1 1 206 206 ALA C C 206 176.465 176.465 176.058 0.407 19425 816 1 1 . 1 1 206 206 ALA CA C 206 50.609 50.609 49.774 0.835 19425 817 1 1 . 1 1 206 206 ALA CB C 206 23.819 23.819 21.938 1.881 19425 818 1 1 . 1 1 206 206 ALA H H 206 9.088 9.088 8.188 0.900 19425 819 1 1 . 1 1 207 207 PHE N N 207 117.878 117.878 115.424 2.454 19425 820 1 1 . 1 1 207 207 PHE C C 207 176.576 176.576 175.848 0.728 19425 821 1 1 . 1 1 207 207 PHE CA C 207 59.714 59.714 59.200 0.514 19425 822 1 1 . 1 1 207 207 PHE CB C 207 38.239 38.239 38.605 -0.366 19425 823 1 1 . 1 1 207 207 PHE H H 207 8.953 8.953 8.637 0.316 19425 824 1 1 . 1 1 208 208 GLN N N 208 117.531 117.531 116.966 0.565 19425 825 1 1 . 1 1 208 208 GLN C C 208 175.166 175.166 175.307 -0.141 19425 826 1 1 . 1 1 208 208 GLN CA C 208 55.096 55.096 54.021 1.075 19425 827 1 1 . 1 1 208 208 GLN CB C 208 30.437 30.437 30.875 -0.438 19425 828 1 1 . 1 1 208 208 GLN H H 208 6.613 6.613 7.713 -1.100 19425 829 1 1 . 1 1 209 209 GLN N N 209 117.318 117.318 122.394 -5.076 19425 830 1 1 . 1 1 209 209 GLN C C 209 173.162 173.162 175.791 -2.629 19425 831 1 1 . 1 1 209 209 GLN CA C 209 56.217 56.217 56.696 -0.479 19425 832 1 1 . 1 1 209 209 GLN CB C 209 29.912 29.912 29.477 0.435 19425 833 1 1 . 1 1 209 209 GLN H H 209 8.108 8.108 8.363 -0.255 19425 834 1 1 . 1 1 210 210 THR N N 210 116.616 116.616 113.743 2.873 19425 835 1 1 . 1 1 210 210 THR C C 210 176.150 176.150 172.650 3.500 19425 836 1 1 . 1 1 210 210 THR CA C 210 62.848 62.848 61.504 1.344 19425 837 1 1 . 1 1 210 210 THR CB C 210 73.244 73.244 70.227 3.017 19425 838 1 1 . 1 1 210 210 THR H H 210 6.641 6.641 8.211 -1.570 19425 839 1 1 . 1 1 211 211 LEU N N 211 126.776 126.776 127.052 -0.276 19425 840 1 1 . 1 1 211 211 LEU C C 211 171.418 171.418 175.650 -4.232 19425 841 1 1 . 1 1 211 211 LEU CA C 211 55.012 55.012 54.706 0.306 19425 842 1 1 . 1 1 211 211 LEU CB C 211 41.627 41.627 42.435 -0.808 19425 843 1 1 . 1 1 211 211 LEU H H 211 8.418 8.418 8.423 -0.005 19425 844 1 1 . 1 1 212 212 TRP N N 212 124.678 124.678 124.774 -0.096 19425 845 1 1 . 1 1 212 212 TRP C C 212 175.742 175.742 176.057 -0.315 19425 846 1 1 . 1 1 212 212 TRP CA C 212 56.052 56.052 55.524 0.528 19425 847 1 1 . 1 1 212 212 TRP CB C 212 31.169 31.169 32.565 -1.396 19425 848 1 1 . 1 1 212 212 TRP H H 212 9.462 9.462 9.179 0.283 19425 849 1 1 . 1 1 213 213 SER N N 213 118.197 118.197 119.306 -1.109 19425 850 1 1 . 1 1 213 213 SER C C 213 175.575 175.575 174.021 1.554 19425 851 1 1 . 1 1 213 213 SER CA C 213 57.141 57.141 57.877 -0.737 19425 852 1 1 . 1 1 213 213 SER CB C 213 64.800 64.800 63.654 1.146 19425 853 1 1 . 1 1 213 213 SER H H 213 9.642 9.642 9.277 0.365 19425 854 1 1 . 1 1 214 214 VAL N N 214 125.581 125.581 128.579 -2.998 19425 855 1 1 . 1 1 214 214 VAL C C 214 174.183 174.183 174.618 -0.435 19425 856 1 1 . 1 1 214 214 VAL CA C 214 61.398 61.398 61.820 -0.422 19425 857 1 1 . 1 1 214 214 VAL CB C 214 32.502 32.502 31.829 0.673 19425 858 1 1 . 1 1 214 214 VAL H H 214 8.433 8.433 8.530 -0.097 19425 859 1 1 . 1 1 215 215 ALA N N 215 130.074 130.074 131.303 -1.229 19425 860 1 1 . 1 1 215 215 ALA C C 215 174.647 174.647 174.309 0.338 19425 861 1 1 . 1 1 215 215 ALA CA C 215 49.058 49.058 48.483 0.575 19425 862 1 1 . 1 1 215 215 ALA CB C 215 20.299 20.299 20.398 -0.099 19425 863 1 1 . 1 1 215 215 ALA H H 215 8.572 8.572 8.393 0.179 19425 864 1 2 . 1 1 13 13 PHE N N 13 122.001 122.001 121.288 0.713 19425 865 1 2 . 1 1 13 13 PHE C C 13 174.608 174.608 175.731 -1.123 19425 866 1 2 . 1 1 13 13 PHE CA C 13 56.445 56.445 55.780 0.665 19425 867 1 2 . 1 1 13 13 PHE CB C 13 41.650 41.650 42.016 -0.366 19425 868 1 2 . 1 1 13 13 PHE H H 13 8.209 8.209 8.300 -0.091 19425 869 1 2 . 1 1 14 14 LEU N N 14 122.475 122.475 123.445 -0.970 19425 870 1 2 . 1 1 14 14 LEU C C 14 175.630 175.630 175.997 -0.367 19425 871 1 2 . 1 1 14 14 LEU CA C 14 55.024 55.024 54.886 0.138 19425 872 1 2 . 1 1 14 14 LEU CB C 14 43.987 43.987 42.006 1.981 19425 873 1 2 . 1 1 14 14 LEU H H 14 8.264 8.264 8.967 -0.703 19425 874 1 2 . 1 1 15 15 ARG N N 15 121.510 121.510 122.873 -1.363 19425 875 1 2 . 1 1 15 15 ARG C C 15 175.630 175.630 177.281 -1.651 19425 876 1 2 . 1 1 15 15 ARG CA C 15 54.007 54.007 52.799 1.208 19425 877 1 2 . 1 1 15 15 ARG CB C 15 34.536 34.536 32.645 1.891 19425 878 1 2 . 1 1 15 15 ARG H H 15 8.653 8.653 8.257 0.396 19425 879 1 2 . 1 1 16 16 THR N N 16 110.840 110.840 113.523 -2.683 19425 880 1 2 . 1 1 16 16 THR C C 16 175.946 175.946 175.186 0.760 19425 881 1 2 . 1 1 16 16 THR CA C 16 62.950 62.950 63.207 -0.257 19425 882 1 2 . 1 1 16 16 THR CB C 16 69.276 69.276 69.475 -0.199 19425 883 1 2 . 1 1 16 16 THR H H 16 8.815 8.815 8.564 0.251 19425 884 1 2 . 1 1 17 17 ASP N N 17 114.036 114.036 117.082 -3.046 19425 885 1 2 . 1 1 17 17 ASP C C 17 175.686 175.686 174.933 0.753 19425 886 1 2 . 1 1 17 17 ASP CA C 17 57.735 57.735 56.838 0.897 19425 887 1 2 . 1 1 17 17 ASP CB C 17 39.928 39.928 40.142 -0.214 19425 888 1 2 . 1 1 17 17 ASP H H 17 9.241 9.241 8.874 0.367 19425 889 1 2 . 1 1 18 18 ASP N N 18 122.062 122.062 121.255 0.807 19425 890 1 2 . 1 1 18 18 ASP C C 18 175.946 175.946 175.622 0.324 19425 891 1 2 . 1 1 18 18 ASP CA C 18 56.214 56.214 54.714 1.500 19425 892 1 2 . 1 1 18 18 ASP CB C 18 40.985 40.985 41.413 -0.428 19425 893 1 2 . 1 1 18 18 ASP H H 18 8.035 8.035 7.583 0.452 19425 894 1 2 . 1 1 19 19 GLU N N 19 122.006 122.006 124.213 -2.207 19425 895 1 2 . 1 1 19 19 GLU C C 19 175.055 175.055 176.389 -1.334 19425 896 1 2 . 1 1 19 19 GLU CA C 19 55.262 55.262 56.383 -1.121 19425 897 1 2 . 1 1 19 19 GLU CB C 19 30.712 30.712 30.335 0.377 19425 898 1 2 . 1 1 19 19 GLU H H 19 8.274 8.274 8.642 -0.368 19425 899 1 2 . 1 1 20 20 VAL N N 20 118.214 118.214 120.537 -2.323 19425 900 1 2 . 1 1 20 20 VAL C C 20 176.855 176.855 173.722 3.133 19425 901 1 2 . 1 1 20 20 VAL CA C 20 59.054 59.054 58.888 0.166 19425 902 1 2 . 1 1 20 20 VAL CB C 20 36.780 36.780 36.303 0.477 19425 903 1 2 . 1 1 20 20 VAL H H 20 9.779 9.779 9.142 0.637 19425 904 1 2 . 1 1 21 21 VAL N N 21 115.443 115.443 115.230 0.213 19425 905 1 2 . 1 1 21 21 VAL C C 21 173.830 173.830 174.163 -0.333 19425 906 1 2 . 1 1 21 21 VAL CA C 21 60.308 60.308 59.763 0.545 19425 907 1 2 . 1 1 21 21 VAL CB C 21 34.625 34.625 35.500 -0.875 19425 908 1 2 . 1 1 21 21 VAL H H 21 8.167 8.167 8.444 -0.277 19425 909 1 2 . 1 1 22 22 LEU N N 22 128.072 128.072 127.459 0.613 19425 910 1 2 . 1 1 22 22 LEU C C 22 174.858 174.858 176.089 -1.231 19425 911 1 2 . 1 1 22 22 LEU CA C 22 55.656 55.656 54.261 1.395 19425 912 1 2 . 1 1 22 22 LEU CB C 22 42.545 42.545 42.139 0.406 19425 913 1 2 . 1 1 22 22 LEU H H 22 10.103 10.103 8.959 1.144 19425 914 1 2 . 1 1 23 23 GLN N N 23 120.609 120.609 123.692 -3.083 19425 915 1 2 . 1 1 23 23 GLN C C 23 175.500 175.500 175.441 0.059 19425 916 1 2 . 1 1 23 23 GLN CA C 23 53.710 53.710 54.182 -0.472 19425 917 1 2 . 1 1 23 23 GLN CB C 23 33.697 33.697 32.523 1.174 19425 918 1 2 . 1 1 23 23 GLN H H 23 9.119 9.119 8.692 0.427 19425 919 1 2 . 1 1 24 24 CYS N N 24 118.659 118.659 120.440 -1.781 19425 920 1 2 . 1 1 24 24 CYS C C 24 174.443 174.443 174.198 0.245 19425 921 1 2 . 1 1 24 24 CYS CA C 24 55.261 55.261 55.548 -0.287 19425 922 1 2 . 1 1 24 24 CYS CB C 24 30.302 30.302 30.754 -0.452 19425 923 1 2 . 1 1 24 24 CYS H H 24 8.993 8.993 9.113 -0.120 19425 924 1 2 . 1 1 25 25 THR N N 25 116.266 116.266 119.755 -3.489 19425 925 1 2 . 1 1 25 25 THR C C 25 172.457 172.457 173.719 -1.262 19425 926 1 2 . 1 1 25 25 THR CA C 25 61.858 61.858 63.134 -1.276 19425 927 1 2 . 1 1 25 25 THR CB C 25 70.271 70.271 68.821 1.450 19425 928 1 2 . 1 1 25 25 THR H H 25 8.480 8.480 8.540 -0.060 19425 929 1 2 . 1 1 26 26 ALA N N 26 129.739 129.739 130.756 -1.017 19425 930 1 2 . 1 1 26 26 ALA C C 26 172.717 172.717 175.072 -2.355 19425 931 1 2 . 1 1 26 26 ALA CA C 26 50.642 50.642 50.042 0.600 19425 932 1 2 . 1 1 26 26 ALA CB C 26 21.315 21.315 19.918 1.397 19425 933 1 2 . 1 1 26 26 ALA H H 26 8.590 8.590 8.475 0.115 19425 934 1 2 . 1 1 27 27 THR N N 27 116.574 116.574 118.871 -2.297 19425 935 1 2 . 1 1 27 27 THR C C 27 173.181 173.181 173.769 -0.588 19425 936 1 2 . 1 1 27 27 THR CA C 27 61.919 61.919 61.177 0.742 19425 937 1 2 . 1 1 27 27 THR CB C 27 69.696 69.696 70.853 -1.157 19425 938 1 2 . 1 1 27 27 THR H H 27 8.110 8.110 8.267 -0.157 19425 939 1 2 . 1 1 28 28 ILE N N 28 126.342 126.342 125.063 1.279 19425 940 1 2 . 1 1 28 28 ILE C C 28 173.793 173.793 174.525 -0.732 19425 941 1 2 . 1 1 28 28 ILE CA C 28 60.407 60.407 61.279 -0.872 19425 942 1 2 . 1 1 28 28 ILE CB C 28 39.536 39.536 40.452 -0.916 19425 943 1 2 . 1 1 28 28 ILE H H 28 8.483 8.483 8.877 -0.394 19425 944 1 2 . 1 1 29 29 HIS N N 29 126.364 126.364 124.414 1.950 19425 945 1 2 . 1 1 29 29 HIS C C 29 175.259 175.259 174.176 1.083 19425 946 1 2 . 1 1 29 29 HIS CA C 29 57.174 57.174 57.066 0.108 19425 947 1 2 . 1 1 29 29 HIS CB C 29 28.029 28.029 28.269 -0.240 19425 948 1 2 . 1 1 29 29 HIS H H 29 9.110 9.110 8.424 0.686 19425 949 1 2 . 1 1 31 31 GLU N N 31 120.962 120.962 119.154 1.808 19425 950 1 2 . 1 1 31 31 GLU C C 31 175.575 175.575 174.273 1.302 19425 951 1 2 . 1 1 31 31 GLU CA C 31 55.394 55.394 55.414 -0.020 19425 952 1 2 . 1 1 31 31 GLU CB C 31 31.576 31.576 32.552 -0.976 19425 953 1 2 . 1 1 31 31 GLU H H 31 8.047 8.047 7.753 0.294 19425 954 1 2 . 1 1 32 32 GLN N N 32 123.171 123.171 125.862 -2.691 19425 955 1 2 . 1 1 32 32 GLN C C 32 175.185 175.185 174.691 0.494 19425 956 1 2 . 1 1 32 32 GLN CA C 32 54.496 54.496 54.669 -0.173 19425 957 1 2 . 1 1 32 32 GLN CB C 32 30.054 30.054 31.610 -1.556 19425 958 1 2 . 1 1 32 32 GLN H H 32 8.646 8.646 8.742 -0.096 19425 959 1 2 . 1 1 33 33 GLN N N 33 123.530 123.530 121.433 2.097 19425 960 1 2 . 1 1 33 33 GLN C C 33 175.667 175.667 173.511 2.156 19425 961 1 2 . 1 1 33 33 GLN CA C 33 54.616 54.616 54.596 0.020 19425 962 1 2 . 1 1 33 33 GLN CB C 33 31.748 31.748 32.094 -0.346 19425 963 1 2 . 1 1 33 33 GLN H H 33 8.839 8.839 8.797 0.042 19425 964 1 2 . 1 1 34 34 LYS N N 34 124.601 124.601 120.474 4.127 19425 965 1 2 . 1 1 34 34 LYS C C 34 173.812 173.812 174.821 -1.009 19425 966 1 2 . 1 1 34 34 LYS CA C 34 55.755 55.755 55.177 0.578 19425 967 1 2 . 1 1 34 34 LYS CB C 34 32.712 32.712 35.543 -2.831 19425 968 1 2 . 1 1 34 34 LYS H H 34 8.589 8.589 8.448 0.141 19425 969 1 2 . 1 1 35 35 LEU N N 35 126.071 126.071 122.698 3.373 19425 970 1 2 . 1 1 35 35 LEU C C 35 175.445 175.445 176.117 -0.672 19425 971 1 2 . 1 1 35 35 LEU CA C 35 53.347 53.347 52.979 0.368 19425 972 1 2 . 1 1 35 35 LEU CB C 35 44.943 44.943 45.458 -0.515 19425 973 1 2 . 1 1 35 35 LEU H H 35 8.794 8.794 8.412 0.382 19425 974 1 2 . 1 1 36 36 CYS N N 36 118.373 118.373 119.781 -1.408 19425 975 1 2 . 1 1 36 36 CYS C C 36 176.057 176.057 175.287 0.770 19425 976 1 2 . 1 1 36 36 CYS CA C 36 57.174 57.174 55.460 1.714 19425 977 1 2 . 1 1 36 36 CYS CB C 36 30.306 30.306 28.590 1.716 19425 978 1 2 . 1 1 36 36 CYS H H 36 9.042 9.042 9.018 0.024 19425 979 1 2 . 1 1 37 37 LEU N N 37 129.256 129.256 125.072 4.184 19425 980 1 2 . 1 1 37 37 LEU C C 37 174.090 174.090 175.430 -1.340 19425 981 1 2 . 1 1 37 37 LEU CA C 37 56.349 56.349 55.142 1.207 19425 982 1 2 . 1 1 37 37 LEU CB C 37 42.689 42.689 42.058 0.631 19425 983 1 2 . 1 1 37 37 LEU H H 37 8.811 8.811 8.774 0.037 19425 984 1 2 . 1 1 38 38 ALA N N 38 127.229 127.229 128.630 -1.401 19425 985 1 2 . 1 1 38 38 ALA C C 38 174.517 174.517 175.145 -0.628 19425 986 1 2 . 1 1 38 38 ALA CA C 38 50.609 50.609 49.469 1.140 19425 987 1 2 . 1 1 38 38 ALA CB C 38 24.141 24.141 21.999 2.142 19425 988 1 2 . 1 1 38 38 ALA H H 38 8.879 8.879 8.577 0.302 19425 989 1 2 . 1 1 39 39 ALA N N 39 117.076 117.076 120.199 -3.123 19425 990 1 2 . 1 1 39 39 ALA C C 39 174.665 174.665 174.750 -0.085 19425 991 1 2 . 1 1 39 39 ALA CA C 39 51.500 51.500 51.681 -0.181 19425 992 1 2 . 1 1 39 39 ALA CB C 39 20.996 20.996 21.498 -0.502 19425 993 1 2 . 1 1 39 39 ALA H H 39 6.837 6.837 7.700 -0.863 19425 994 1 2 . 1 1 40 40 GLU N N 40 119.966 119.966 118.719 1.247 19425 995 1 2 . 1 1 40 40 GLU C C 40 176.205 176.205 176.277 -0.072 19425 996 1 2 . 1 1 40 40 GLU CA C 40 55.950 55.950 55.138 0.812 19425 997 1 2 . 1 1 40 40 GLU CB C 40 31.836 31.836 32.484 -0.648 19425 998 1 2 . 1 1 40 40 GLU H H 40 8.413 8.413 8.634 -0.221 19425 999 1 2 . 1 1 41 41 GLY N N 41 108.646 108.646 109.876 -1.230 19425 1000 1 2 . 1 1 41 41 GLY C C 41 176.892 176.892 173.839 3.053 19425 1001 1 2 . 1 1 41 41 GLY CA C 41 45.628 45.628 45.329 0.299 19425 1002 1 2 . 1 1 41 41 GLY H H 41 8.463 8.463 9.044 -0.581 19425 1003 1 2 . 1 1 43 43 GLY N N 43 109.557 109.557 113.411 -3.854 19425 1004 1 2 . 1 1 43 43 GLY C C 43 176.465 176.465 174.533 1.932 19425 1005 1 2 . 1 1 43 43 GLY CA C 43 45.397 45.397 45.515 -0.118 19425 1006 1 2 . 1 1 43 43 GLY H H 43 8.510 8.510 8.036 0.474 19425 1007 1 2 . 1 1 44 44 ASN N N 44 116.850 116.850 122.622 -5.772 19425 1008 1 2 . 1 1 44 44 ASN C C 44 173.830 173.830 175.293 -1.463 19425 1009 1 2 . 1 1 44 44 ASN CA C 44 54.184 54.184 52.566 1.618 19425 1010 1 2 . 1 1 44 44 ASN CB C 44 38.252 38.252 38.240 0.012 19425 1011 1 2 . 1 1 44 44 ASN H H 44 8.028 8.028 8.763 -0.735 19425 1012 1 2 . 1 1 45 45 ARG N N 45 118.226 118.226 115.964 2.262 19425 1013 1 2 . 1 1 45 45 ARG C C 45 174.072 174.072 174.241 -0.169 19425 1014 1 2 . 1 1 45 45 ARG CA C 45 56.077 56.077 57.139 -1.062 19425 1015 1 2 . 1 1 45 45 ARG CB C 45 31.231 31.231 27.394 3.837 19425 1016 1 2 . 1 1 45 45 ARG H H 45 7.759 7.759 7.538 0.221 19425 1017 1 2 . 1 1 46 46 LEU N N 46 124.643 124.643 118.564 6.079 19425 1018 1 2 . 1 1 46 46 LEU C C 46 176.447 176.447 177.244 -0.797 19425 1019 1 2 . 1 1 46 46 LEU CA C 46 54.667 54.667 54.178 0.489 19425 1020 1 2 . 1 1 46 46 LEU CB C 46 42.605 42.605 42.880 -0.275 19425 1021 1 2 . 1 1 46 46 LEU H H 46 8.695 8.695 7.693 1.002 19425 1022 1 2 . 1 1 47 47 CYS N N 47 119.241 119.241 121.072 -1.831 19425 1023 1 2 . 1 1 47 47 CYS C C 47 176.651 176.651 174.731 1.920 19425 1024 1 2 . 1 1 47 47 CYS CA C 47 55.885 55.885 61.302 -5.417 19425 1025 1 2 . 1 1 47 47 CYS CB C 47 31.112 31.112 28.296 2.816 19425 1026 1 2 . 1 1 47 47 CYS H H 47 9.007 9.007 8.454 0.553 19425 1027 1 2 . 1 1 48 48 PHE N N 48 114.081 114.081 118.422 -4.341 19425 1028 1 2 . 1 1 48 48 PHE C C 48 170.342 170.342 173.051 -2.709 19425 1029 1 2 . 1 1 48 48 PHE CA C 48 57.405 57.405 55.745 1.660 19425 1030 1 2 . 1 1 48 48 PHE CB C 48 43.263 43.263 40.291 2.972 19425 1031 1 2 . 1 1 48 48 PHE H H 48 8.647 8.647 8.562 0.085 19425 1032 1 2 . 1 1 49 49 LEU N N 49 122.287 122.287 119.116 3.171 19425 1033 1 2 . 1 1 49 49 LEU C C 49 176.236 176.236 176.191 0.045 19425 1034 1 2 . 1 1 49 49 LEU CA C 49 53.285 53.285 53.734 -0.449 19425 1035 1 2 . 1 1 49 49 LEU CB C 49 42.907 42.907 45.459 -2.552 19425 1036 1 2 . 1 1 49 49 LEU H H 49 9.108 9.108 8.836 0.272 19425 1037 1 2 . 1 1 50 50 GLU N N 50 123.206 123.206 121.917 1.289 19425 1038 1 2 . 1 1 50 50 GLU C C 50 177.671 177.671 174.998 2.673 19425 1039 1 2 . 1 1 50 50 GLU CA C 50 57.084 57.084 54.520 2.564 19425 1040 1 2 . 1 1 50 50 GLU CB C 50 30.123 30.123 33.622 -3.499 19425 1041 1 2 . 1 1 50 50 GLU H H 50 8.834 8.834 8.670 0.164 19425 1042 1 2 . 1 1 51 51 SER N N 51 118.500 118.500 120.395 -1.895 19425 1043 1 2 . 1 1 51 51 SER C C 51 176.706 176.706 174.884 1.822 19425 1044 1 2 . 1 1 51 51 SER CA C 51 58.560 58.560 58.172 0.388 19425 1045 1 2 . 1 1 51 51 SER CB C 51 63.979 63.979 63.961 0.018 19425 1046 1 2 . 1 1 51 51 SER H H 51 8.461 8.461 8.853 -0.392 19425 1047 1 2 . 1 1 52 52 THR N N 52 116.205 116.205 117.173 -0.968 19425 1048 1 2 . 1 1 52 52 THR C C 52 174.808 174.808 173.699 1.109 19425 1049 1 2 . 1 1 52 52 THR CA C 52 61.891 61.891 59.450 2.441 19425 1050 1 2 . 1 1 52 52 THR CB C 52 70.076 70.076 71.085 -1.009 19425 1051 1 2 . 1 1 52 52 THR H H 52 8.199 8.199 8.188 0.011 19425 1052 1 2 . 1 1 65 65 CYS N N 65 117.553 117.553 119.803 -2.250 19425 1053 1 2 . 1 1 65 65 CYS C C 65 176.948 176.948 174.110 2.838 19425 1054 1 2 . 1 1 65 65 CYS CA C 65 57.900 57.900 57.404 0.496 19425 1055 1 2 . 1 1 65 65 CYS CB C 65 30.290 30.290 26.215 4.075 19425 1056 1 2 . 1 1 65 65 CYS H H 65 7.539 7.539 7.591 -0.052 19425 1057 1 2 . 1 1 66 66 THR N N 66 113.614 113.614 118.247 -4.633 19425 1058 1 2 . 1 1 66 66 THR C C 66 180.325 180.325 173.463 6.862 19425 1059 1 2 . 1 1 66 66 THR CA C 66 63.399 63.399 63.556 -0.158 19425 1060 1 2 . 1 1 66 66 THR CB C 66 69.281 69.281 69.320 -0.039 19425 1061 1 2 . 1 1 66 66 THR H H 66 6.851 6.851 7.199 -0.348 19425 1062 1 2 . 1 1 67 67 PHE N N 67 126.248 126.248 125.775 0.473 19425 1063 1 2 . 1 1 67 67 PHE C C 67 174.424 174.424 174.016 0.408 19425 1064 1 2 . 1 1 67 67 PHE CA C 67 56.184 56.184 56.910 -0.726 19425 1065 1 2 . 1 1 67 67 PHE CB C 67 43.291 43.291 44.266 -0.975 19425 1066 1 2 . 1 1 67 67 PHE H H 67 9.603 9.603 9.322 0.281 19425 1067 1 2 . 1 1 68 68 VAL N N 68 121.310 121.310 119.102 2.208 19425 1068 1 2 . 1 1 68 68 VAL C C 68 173.719 173.719 175.552 -1.833 19425 1069 1 2 . 1 1 68 68 VAL CA C 68 60.935 60.935 61.058 -0.123 19425 1070 1 2 . 1 1 68 68 VAL CB C 68 34.522 34.522 34.031 0.491 19425 1071 1 2 . 1 1 68 68 VAL H H 68 9.968 9.968 8.647 1.321 19425 1072 1 2 . 1 1 69 69 LEU N N 69 127.011 127.011 128.940 -1.929 19425 1073 1 2 . 1 1 69 69 LEU C C 69 177.152 177.152 177.858 -0.706 19425 1074 1 2 . 1 1 69 69 LEU CA C 69 53.083 53.083 54.673 -1.590 19425 1075 1 2 . 1 1 69 69 LEU CB C 69 39.652 39.652 39.277 0.375 19425 1076 1 2 . 1 1 69 69 LEU H H 69 8.135 8.135 8.537 -0.402 19425 1077 1 2 . 1 1 70 70 GLU N N 70 129.683 129.683 121.935 7.748 19425 1078 1 2 . 1 1 70 70 GLU C C 70 174.869 174.869 176.986 -2.117 19425 1079 1 2 . 1 1 70 70 GLU CA C 70 59.747 59.747 59.176 0.571 19425 1080 1 2 . 1 1 70 70 GLU CB C 70 31.291 31.291 29.939 1.352 19425 1081 1 2 . 1 1 70 70 GLU H H 70 8.654 8.654 8.361 0.293 19425 1082 1 2 . 1 1 71 71 GLN N N 71 110.287 110.287 117.167 -6.880 19425 1083 1 2 . 1 1 71 71 GLN C C 71 176.094 176.094 175.009 1.085 19425 1084 1 2 . 1 1 71 71 GLN CA C 71 54.030 54.030 54.522 -0.492 19425 1085 1 2 . 1 1 71 71 GLN CB C 71 33.112 33.112 32.637 0.475 19425 1086 1 2 . 1 1 71 71 GLN H H 71 7.318 7.318 7.602 -0.284 19425 1087 1 2 . 1 1 72 72 SER N N 72 116.205 116.205 116.793 -0.588 19425 1088 1 2 . 1 1 72 72 SER C C 72 174.035 174.035 173.538 0.497 19425 1089 1 2 . 1 1 72 72 SER CA C 72 58.132 58.132 57.996 0.136 19425 1090 1 2 . 1 1 72 72 SER CB C 72 64.295 64.295 63.357 0.938 19425 1091 1 2 . 1 1 72 72 SER H H 72 8.380 8.380 8.657 -0.277 19425 1092 1 2 . 1 1 73 73 LEU N N 73 127.858 127.858 125.214 2.644 19425 1093 1 2 . 1 1 73 73 LEU C C 73 173.701 173.701 175.603 -1.902 19425 1094 1 2 . 1 1 73 73 LEU CA C 73 53.347 53.347 53.306 0.041 19425 1095 1 2 . 1 1 73 73 LEU CB C 73 45.926 45.926 45.114 0.812 19425 1096 1 2 . 1 1 73 73 LEU H H 73 9.532 9.532 8.766 0.766 19425 1097 1 2 . 1 1 74 74 SER N N 74 115.724 115.724 114.760 0.964 19425 1098 1 2 . 1 1 74 74 SER C C 74 177.541 177.541 175.868 1.673 19425 1099 1 2 . 1 1 74 74 SER CA C 74 57.905 57.905 57.848 0.057 19425 1100 1 2 . 1 1 74 74 SER CB C 74 63.901 63.901 63.591 0.310 19425 1101 1 2 . 1 1 74 74 SER H H 74 8.240 8.240 8.146 0.094 19425 1102 1 2 . 1 1 75 75 VAL N N 75 122.994 122.994 127.392 -4.398 19425 1103 1 2 . 1 1 75 75 VAL C C 75 174.610 174.610 177.248 -2.638 19425 1104 1 2 . 1 1 75 75 VAL CA C 75 67.104 67.104 67.159 -0.055 19425 1105 1 2 . 1 1 75 75 VAL CB C 75 30.953 30.953 31.500 -0.548 19425 1106 1 2 . 1 1 75 75 VAL H H 75 9.056 9.056 8.918 0.138 19425 1107 1 2 . 1 1 76 76 ARG N N 76 119.193 119.193 120.515 -1.322 19425 1108 1 2 . 1 1 76 76 ARG C C 76 178.228 178.228 178.088 0.140 19425 1109 1 2 . 1 1 76 76 ARG CA C 76 59.087 59.087 60.023 -0.936 19425 1110 1 2 . 1 1 76 76 ARG CB C 76 29.280 29.280 29.765 -0.484 19425 1111 1 2 . 1 1 76 76 ARG H H 76 8.137 8.137 7.659 0.478 19425 1112 1 2 . 1 1 77 77 ALA N N 77 122.977 122.977 120.341 2.636 19425 1113 1 2 . 1 1 77 77 ALA C C 77 178.506 178.506 179.696 -1.190 19425 1114 1 2 . 1 1 77 77 ALA CA C 77 54.926 54.926 54.596 0.330 19425 1115 1 2 . 1 1 77 77 ALA CB C 77 18.231 18.231 17.866 0.365 19425 1116 1 2 . 1 1 77 77 ALA H H 77 7.699 7.699 7.998 -0.299 19425 1117 1 2 . 1 1 78 78 LEU N N 78 121.115 121.115 120.179 0.936 19425 1118 1 2 . 1 1 78 78 LEU C C 78 180.640 180.640 178.393 2.247 19425 1119 1 2 . 1 1 78 78 LEU CA C 78 57.985 57.985 57.321 0.664 19425 1120 1 2 . 1 1 78 78 LEU CB C 78 40.522 40.522 41.306 -0.784 19425 1121 1 2 . 1 1 78 78 LEU H H 78 8.303 8.303 8.259 0.044 19425 1122 1 2 . 1 1 79 79 GLN N N 79 116.873 116.873 117.394 -0.521 19425 1123 1 2 . 1 1 79 79 GLN C C 79 177.875 177.875 178.397 -0.522 19425 1124 1 2 . 1 1 79 79 GLN CA C 79 59.069 59.069 59.054 0.015 19425 1125 1 2 . 1 1 79 79 GLN CB C 79 27.254 27.254 28.362 -1.108 19425 1126 1 2 . 1 1 79 79 GLN H H 79 8.390 8.390 8.240 0.150 19425 1127 1 2 . 1 1 80 80 GLU N N 80 120.455 120.455 120.848 -0.393 19425 1128 1 2 . 1 1 80 80 GLU C C 80 179.749 179.749 178.658 1.091 19425 1129 1 2 . 1 1 80 80 GLU CA C 80 59.413 59.413 58.911 0.502 19425 1130 1 2 . 1 1 80 80 GLU CB C 80 29.142 29.142 29.092 0.050 19425 1131 1 2 . 1 1 80 80 GLU H H 80 7.942 7.942 7.934 0.008 19425 1132 1 2 . 1 1 81 81 MET N N 81 120.541 120.541 118.494 2.047 19425 1133 1 2 . 1 1 81 81 MET C C 81 178.599 178.599 178.504 0.095 19425 1134 1 2 . 1 1 81 81 MET CA C 81 59.665 59.665 59.715 -0.050 19425 1135 1 2 . 1 1 81 81 MET CB C 81 32.534 32.534 32.668 -0.134 19425 1136 1 2 . 1 1 81 81 MET H H 81 7.870 7.870 7.895 -0.025 19425 1137 1 2 . 1 1 82 82 LEU N N 82 119.662 119.662 118.438 1.224 19425 1138 1 2 . 1 1 82 82 LEU C C 82 179.638 179.638 178.671 0.967 19425 1139 1 2 . 1 1 82 82 LEU CA C 82 57.669 57.669 56.987 0.682 19425 1140 1 2 . 1 1 82 82 LEU CB C 82 40.783 40.783 41.751 -0.968 19425 1141 1 2 . 1 1 82 82 LEU H H 82 8.488 8.488 7.870 0.618 19425 1142 1 2 . 1 1 83 83 ALA N N 83 120.827 120.827 120.146 0.681 19425 1143 1 2 . 1 1 83 83 ALA C C 83 179.323 179.323 179.108 0.215 19425 1144 1 2 . 1 1 83 83 ALA CA C 83 54.073 54.073 54.779 -0.706 19425 1145 1 2 . 1 1 83 83 ALA CB C 83 18.326 18.326 18.790 -0.464 19425 1146 1 2 . 1 1 83 83 ALA H H 83 7.704 7.704 8.057 -0.353 19425 1147 1 2 . 1 1 84 84 ASN N N 84 115.853 115.853 113.599 2.254 19425 1148 1 2 . 1 1 84 84 ASN C C 84 178.944 178.944 176.078 2.866 19425 1149 1 2 . 1 1 84 84 ASN CA C 84 54.167 54.167 55.241 -1.074 19425 1150 1 2 . 1 1 84 84 ASN CB C 84 39.465 39.465 38.533 0.931 19425 1151 1 2 . 1 1 84 84 ASN H H 84 7.729 7.729 8.108 -0.379 19425 1152 1 2 . 1 1 85 85 THR N N 85 112.611 112.611 107.769 4.842 19425 1153 1 2 . 1 1 85 85 THR C C 85 175.569 175.569 175.627 -0.058 19425 1154 1 2 . 1 1 85 85 THR CA C 85 63.086 63.086 63.307 -0.221 19425 1155 1 2 . 1 1 85 85 THR CB C 85 70.071 70.071 68.747 1.324 19425 1156 1 2 . 1 1 85 85 THR H H 85 7.698 7.698 7.254 0.444 19425 1157 1 2 . 1 1 86 86 VAL N N 86 121.812 121.812 120.112 1.700 19425 1158 1 2 . 1 1 86 86 VAL C C 86 174.573 174.573 176.875 -2.302 19425 1159 1 2 . 1 1 86 86 VAL CA C 86 62.811 62.811 64.459 -1.648 19425 1160 1 2 . 1 1 86 86 VAL CB C 86 32.730 32.730 32.148 0.582 19425 1161 1 2 . 1 1 86 86 VAL H H 86 7.874 7.874 7.413 0.461 19425 1162 1 2 . 1 1 87 87 GLU N N 87 124.330 124.330 119.928 4.402 19425 1163 1 2 . 1 1 87 87 GLU C C 87 176.280 176.280 177.738 -1.458 19425 1164 1 2 . 1 1 87 87 GLU CA C 87 56.877 56.877 58.530 -1.653 19425 1165 1 2 . 1 1 87 87 GLU CB C 87 29.852 29.852 29.981 -0.129 19425 1166 1 2 . 1 1 87 87 GLU H H 87 8.403 8.403 7.816 0.587 19425 1167 1 2 . 1 1 88 88 LYS N N 88 122.065 122.065 116.165 5.900 19425 1168 1 2 . 1 1 88 88 LYS C C 88 176.966 176.966 176.646 0.320 19425 1169 1 2 . 1 1 88 88 LYS CA C 88 56.799 56.799 56.258 0.541 19425 1170 1 2 . 1 1 88 88 LYS CB C 88 32.597 32.597 33.148 -0.551 19425 1171 1 2 . 1 1 88 88 LYS H H 88 8.330 8.330 8.602 -0.273 19425 1172 1 2 . 1 1 89 89 SER N N 89 116.192 116.192 112.794 3.398 19425 1173 1 2 . 1 1 89 89 SER C C 89 176.865 176.865 174.031 2.834 19425 1174 1 2 . 1 1 89 89 SER CA C 89 59.008 59.008 58.832 0.176 19425 1175 1 2 . 1 1 89 89 SER CB C 89 63.765 63.765 63.736 0.029 19425 1176 1 2 . 1 1 89 89 SER H H 89 8.247 8.247 8.041 0.206 19425 1177 1 2 . 1 1 90 90 GLU N N 90 122.006 122.006 121.061 0.945 19425 1178 1 2 . 1 1 90 90 GLU C C 90 174.702 174.702 176.354 -1.652 19425 1179 1 2 . 1 1 90 90 GLU CA C 90 57.231 57.231 56.602 0.628 19425 1180 1 2 . 1 1 90 90 GLU CB C 90 29.442 29.442 29.823 -0.381 19425 1181 1 2 . 1 1 90 90 GLU H H 90 8.560 8.560 8.750 -0.190 19425 1182 1 2 . 1 1 91 91 GLY N N 91 110.052 110.052 111.081 -1.029 19425 1183 1 2 . 1 1 91 91 GLY C C 91 177.170 177.170 174.530 2.640 19425 1184 1 2 . 1 1 91 91 GLY CA C 91 45.634 45.634 45.344 0.290 19425 1185 1 2 . 1 1 91 91 GLY H H 91 8.358 8.358 7.798 0.560 19425 1186 1 2 . 1 1 92 92 GLN N N 92 120.053 120.053 117.124 2.929 19425 1187 1 2 . 1 1 92 92 GLN C C 92 173.905 173.905 175.412 -1.507 19425 1188 1 2 . 1 1 92 92 GLN CA C 92 55.261 55.261 57.797 -2.536 19425 1189 1 2 . 1 1 92 92 GLN CB C 92 29.573 29.573 28.035 1.538 19425 1190 1 2 . 1 1 92 92 GLN H H 92 8.075 8.075 7.904 0.171 19425 1191 1 2 . 1 1 93 93 VAL N N 93 123.434 123.434 119.492 3.942 19425 1192 1 2 . 1 1 93 93 VAL C C 93 175.667 175.667 174.715 0.952 19425 1193 1 2 . 1 1 93 93 VAL CA C 93 62.914 62.914 62.136 0.778 19425 1194 1 2 . 1 1 93 93 VAL CB C 93 32.629 32.629 31.770 0.859 19425 1195 1 2 . 1 1 93 93 VAL H H 93 8.370 8.370 8.117 0.253 19425 1196 1 2 . 1 1 94 94 ASP N N 94 125.761 125.761 125.734 0.027 19425 1197 1 2 . 1 1 94 94 ASP C C 94 175.704 175.704 175.742 -0.038 19425 1198 1 2 . 1 1 94 94 ASP CA C 94 53.743 53.743 53.725 0.018 19425 1199 1 2 . 1 1 94 94 ASP CB C 94 40.771 40.771 39.746 1.025 19425 1200 1 2 . 1 1 94 94 ASP H H 94 8.550 8.550 8.351 0.199 19425 1201 1 2 . 1 1 95 95 VAL N N 95 125.064 125.064 120.469 4.595 19425 1202 1 2 . 1 1 95 95 VAL C C 95 176.465 176.465 175.879 0.586 19425 1203 1 2 . 1 1 95 95 VAL CA C 95 65.487 65.487 62.752 2.735 19425 1204 1 2 . 1 1 95 95 VAL CB C 95 31.773 31.773 31.949 -0.176 19425 1205 1 2 . 1 1 95 95 VAL H H 95 8.300 8.300 7.468 0.832 19425 1206 1 2 . 1 1 96 96 GLU N N 96 120.880 120.880 119.612 1.268 19425 1207 1 2 . 1 1 96 96 GLU C C 96 177.523 177.523 177.988 -0.465 19425 1208 1 2 . 1 1 96 96 GLU CA C 96 59.157 59.157 59.571 -0.414 19425 1209 1 2 . 1 1 96 96 GLU CB C 96 28.575 28.575 29.430 -0.855 19425 1210 1 2 . 1 1 96 96 GLU H H 96 8.297 8.297 8.707 -0.410 19425 1211 1 2 . 1 1 97 97 LYS N N 97 121.943 121.943 119.482 2.461 19425 1212 1 2 . 1 1 97 97 LYS C C 97 179.434 179.434 178.651 0.783 19425 1213 1 2 . 1 1 97 97 LYS CA C 97 59.186 59.186 58.825 0.361 19425 1214 1 2 . 1 1 97 97 LYS CB C 97 32.036 32.036 31.938 0.098 19425 1215 1 2 . 1 1 97 97 LYS H H 97 7.979 7.979 8.094 -0.115 19425 1216 1 2 . 1 1 98 98 TRP N N 98 121.420 121.420 120.556 0.864 19425 1217 1 2 . 1 1 98 98 TRP C C 98 178.673 178.673 177.955 0.718 19425 1218 1 2 . 1 1 98 98 TRP CA C 98 60.176 60.176 60.080 0.096 19425 1219 1 2 . 1 1 98 98 TRP CB C 98 29.340 29.340 28.543 0.797 19425 1220 1 2 . 1 1 98 98 TRP H H 98 8.202 8.202 8.290 -0.088 19425 1221 1 2 . 1 1 99 99 LYS N N 99 118.236 118.236 118.514 -0.278 19425 1222 1 2 . 1 1 99 99 LYS C C 99 177.374 177.374 178.935 -1.561 19425 1223 1 2 . 1 1 99 99 LYS CA C 99 59.812 59.812 59.870 -0.058 19425 1224 1 2 . 1 1 99 99 LYS CB C 99 32.042 32.042 31.912 0.130 19425 1225 1 2 . 1 1 99 99 LYS H H 99 8.346 8.346 8.487 -0.141 19425 1226 1 2 . 1 1 100 100 PHE N N 100 120.365 120.365 121.313 -0.948 19425 1227 1 2 . 1 1 100 100 PHE C C 100 179.193 179.193 177.110 2.083 19425 1228 1 2 . 1 1 100 100 PHE CA C 100 60.902 60.902 61.328 -0.426 19425 1229 1 2 . 1 1 100 100 PHE CB C 100 38.875 38.875 39.455 -0.580 19425 1230 1 2 . 1 1 100 100 PHE H H 100 7.916 7.916 7.697 0.219 19425 1231 1 2 . 1 1 101 101 MET N N 101 121.837 121.837 121.062 0.775 19425 1232 1 2 . 1 1 101 101 MET C C 101 178.172 178.172 178.377 -0.205 19425 1233 1 2 . 1 1 101 101 MET CA C 101 58.625 58.625 59.179 -0.554 19425 1234 1 2 . 1 1 101 101 MET CB C 101 32.081 32.081 32.953 -0.872 19425 1235 1 2 . 1 1 101 101 MET H H 101 8.393 8.393 8.344 0.049 19425 1236 1 2 . 1 1 102 102 MET N N 102 119.901 119.901 118.598 1.303 19425 1237 1 2 . 1 1 102 102 MET C C 102 178.655 178.655 177.474 1.181 19425 1238 1 2 . 1 1 102 102 MET CA C 102 57.867 57.867 59.336 -1.469 19425 1239 1 2 . 1 1 102 102 MET CB C 102 32.414 32.414 32.537 -0.123 19425 1240 1 2 . 1 1 102 102 MET H H 102 8.174 8.174 8.566 -0.392 19425 1241 1 2 . 1 1 103 103 LYS N N 103 120.555 120.555 119.694 0.861 19425 1242 1 2 . 1 1 103 103 LYS C C 103 177.857 177.857 178.933 -1.076 19425 1243 1 2 . 1 1 103 103 LYS CA C 103 58.592 58.592 60.070 -1.478 19425 1244 1 2 . 1 1 103 103 LYS CB C 103 31.816 31.816 32.396 -0.580 19425 1245 1 2 . 1 1 103 103 LYS H H 103 7.899 7.899 8.079 -0.180 19425 1246 1 2 . 1 1 104 104 THR N N 104 115.450 115.450 112.510 2.940 19425 1247 1 2 . 1 1 104 104 THR C C 104 179.267 179.267 176.528 2.739 19425 1248 1 2 . 1 1 104 104 THR CA C 104 64.914 64.914 65.362 -0.448 19425 1249 1 2 . 1 1 104 104 THR CB C 104 69.103 69.103 68.198 0.905 19425 1250 1 2 . 1 1 104 104 THR H H 104 7.895 7.895 7.995 -0.100 19425 1251 1 2 . 1 1 105 105 ALA N N 105 124.862 124.862 124.343 0.519 19425 1252 1 2 . 1 1 105 105 ALA C C 105 176.057 176.057 179.187 -3.130 19425 1253 1 2 . 1 1 105 105 ALA CA C 105 54.106 54.106 54.807 -0.701 19425 1254 1 2 . 1 1 105 105 ALA CB C 105 18.493 18.493 18.119 0.374 19425 1255 1 2 . 1 1 105 105 ALA H H 105 7.896 7.896 7.881 0.015 19425 1256 1 2 . 1 1 106 106 GLN N N 106 117.285 117.285 118.019 -0.734 19425 1257 1 2 . 1 1 106 106 GLN C C 106 178.655 178.655 178.364 0.291 19425 1258 1 2 . 1 1 106 106 GLN CA C 106 56.913 56.913 58.161 -1.248 19425 1259 1 2 . 1 1 106 106 GLN CB C 106 29.148 29.148 28.831 0.318 19425 1260 1 2 . 1 1 106 106 GLN H H 106 7.944 7.944 8.172 -0.228 19425 1261 1 2 . 1 1 107 107 GLY N N 107 107.494 107.494 105.356 2.138 19425 1262 1 2 . 1 1 107 107 GLY C C 107 177.597 177.597 175.150 2.447 19425 1263 1 2 . 1 1 107 107 GLY CA C 107 45.975 45.975 45.292 0.683 19425 1264 1 2 . 1 1 107 107 GLY H H 107 7.852 7.852 7.823 0.029 19425 1265 1 2 . 1 1 108 108 GLY N N 108 109.642 109.642 110.612 -0.970 19425 1266 1 2 . 1 1 108 108 GLY C C 108 174.740 174.740 174.502 0.238 19425 1267 1 2 . 1 1 108 108 GLY CA C 108 45.151 45.151 44.942 0.209 19425 1268 1 2 . 1 1 108 108 GLY H H 108 8.313 8.313 7.535 0.778 19425 1269 1 2 . 1 1 109 109 GLY N N 109 108.058 108.058 110.934 -2.876 19425 1270 1 2 . 1 1 109 109 GLY C C 109 174.313 174.313 174.677 -0.364 19425 1271 1 2 . 1 1 109 109 GLY CA C 109 44.659 44.659 44.550 0.109 19425 1272 1 2 . 1 1 109 109 GLY H H 109 8.059 8.059 7.725 0.334 19425 1273 1 2 . 1 1 110 110 HIS N N 110 118.432 118.432 114.283 4.149 19425 1274 1 2 . 1 1 110 110 HIS C C 110 173.348 173.348 174.198 -0.850 19425 1275 1 2 . 1 1 110 110 HIS CA C 110 55.590 55.590 57.861 -2.271 19425 1276 1 2 . 1 1 110 110 HIS CB C 110 28.502 28.502 27.180 1.322 19425 1277 1 2 . 1 1 110 110 HIS H H 110 8.261 8.261 8.068 0.193 19425 1278 1 2 . 1 1 111 111 ARG N N 111 122.052 122.052 118.731 3.321 19425 1279 1 2 . 1 1 111 111 ARG C C 111 174.908 174.908 175.145 -0.237 19425 1280 1 2 . 1 1 111 111 ARG CA C 111 55.233 55.233 54.207 1.026 19425 1281 1 2 . 1 1 111 111 ARG CB C 111 31.125 31.125 32.019 -0.894 19425 1282 1 2 . 1 1 111 111 ARG H H 111 8.597 8.597 8.231 0.366 19425 1283 1 2 . 1 1 112 112 THR N N 112 120.248 120.248 117.411 2.837 19425 1284 1 2 . 1 1 112 112 THR C C 112 176.447 176.447 174.644 1.803 19425 1285 1 2 . 1 1 112 112 THR CA C 112 63.723 63.723 63.355 0.368 19425 1286 1 2 . 1 1 112 112 THR CB C 112 68.984 68.984 69.480 -0.496 19425 1287 1 2 . 1 1 112 112 THR H H 112 8.577 8.577 8.381 0.196 19425 1288 1 2 . 1 1 113 113 LEU N N 113 130.382 130.382 125.941 4.441 19425 1289 1 2 . 1 1 113 113 LEU C C 113 174.294 174.294 175.428 -1.134 19425 1290 1 2 . 1 1 113 113 LEU CA C 113 56.791 56.791 54.852 1.939 19425 1291 1 2 . 1 1 113 113 LEU CB C 113 41.705 41.705 42.695 -0.990 19425 1292 1 2 . 1 1 113 113 LEU H H 113 8.515 8.515 8.793 -0.278 19425 1293 1 2 . 1 1 114 114 LEU N N 114 118.829 118.829 121.950 -3.121 19425 1294 1 2 . 1 1 114 114 LEU C C 114 175.278 175.278 176.642 -1.364 19425 1295 1 2 . 1 1 114 114 LEU CA C 114 51.667 51.667 52.546 -0.879 19425 1296 1 2 . 1 1 114 114 LEU CB C 114 42.454 42.454 44.311 -1.857 19425 1297 1 2 . 1 1 114 114 LEU H H 114 6.454 6.454 8.032 -1.578 19425 1298 1 2 . 1 1 115 115 TYR N N 115 119.059 119.059 121.020 -1.961 19425 1299 1 2 . 1 1 115 115 TYR C C 115 177.152 177.152 177.459 -0.307 19425 1300 1 2 . 1 1 115 115 TYR CA C 115 62.452 62.452 60.632 1.820 19425 1301 1 2 . 1 1 115 115 TYR CB C 115 38.058 38.058 38.135 -0.076 19425 1302 1 2 . 1 1 115 115 TYR H H 115 8.797 8.797 8.696 0.101 19425 1303 1 2 . 1 1 116 116 GLY N N 116 115.795 115.795 113.017 2.778 19425 1304 1 2 . 1 1 116 116 GLY C C 116 178.061 178.061 173.968 4.093 19425 1305 1 2 . 1 1 116 116 GLY CA C 116 45.100 45.100 45.181 -0.081 19425 1306 1 2 . 1 1 116 116 GLY H H 116 9.672 9.672 9.158 0.514 19425 1307 1 2 . 1 1 117 117 HIS N N 117 122.193 122.193 121.621 0.572 19425 1308 1 2 . 1 1 117 117 HIS C C 117 175.463 175.463 173.805 1.658 19425 1309 1 2 . 1 1 117 117 HIS CA C 117 56.119 56.119 55.694 0.425 19425 1310 1 2 . 1 1 117 117 HIS CB C 117 32.293 32.293 30.286 2.007 19425 1311 1 2 . 1 1 117 117 HIS H H 117 8.113 8.113 7.741 0.372 19425 1312 1 2 . 1 1 118 118 ALA N N 118 120.893 120.893 126.799 -5.906 19425 1313 1 2 . 1 1 118 118 ALA C C 118 173.775 173.775 176.114 -2.339 19425 1314 1 2 . 1 1 118 118 ALA CA C 118 50.378 50.378 51.427 -1.049 19425 1315 1 2 . 1 1 118 118 ALA CB C 118 21.646 21.646 19.543 2.103 19425 1316 1 2 . 1 1 118 118 ALA H H 118 9.458 9.458 8.884 0.574 19425 1317 1 2 . 1 1 120 120 LEU N N 120 119.631 119.631 123.884 -4.253 19425 1318 1 2 . 1 1 120 120 LEU C C 120 173.367 173.367 174.746 -1.379 19425 1319 1 2 . 1 1 120 120 LEU CA C 120 56.217 56.217 52.898 3.319 19425 1320 1 2 . 1 1 120 120 LEU CB C 120 39.519 39.519 44.021 -4.502 19425 1321 1 2 . 1 1 120 120 LEU H H 120 8.746 8.746 8.201 0.545 19425 1322 1 2 . 1 1 121 121 LEU N N 121 118.900 118.900 126.970 -8.070 19425 1323 1 2 . 1 1 121 121 LEU C C 121 171.400 171.400 175.766 -4.366 19425 1324 1 2 . 1 1 121 121 LEU CA C 121 52.852 52.852 53.775 -0.923 19425 1325 1 2 . 1 1 121 121 LEU CB C 121 43.452 43.452 42.756 0.696 19425 1326 1 2 . 1 1 121 121 LEU H H 121 8.590 8.590 8.681 -0.091 19425 1327 1 2 . 1 1 122 122 ARG N N 122 123.588 123.588 124.943 -1.355 19425 1328 1 2 . 1 1 122 122 ARG C C 122 176.465 176.465 175.447 1.018 19425 1329 1 2 . 1 1 122 122 ARG CA C 122 54.403 54.403 53.983 0.420 19425 1330 1 2 . 1 1 122 122 ARG CB C 122 32.897 32.897 31.702 1.195 19425 1331 1 2 . 1 1 122 122 ARG H H 122 9.077 9.077 8.823 0.254 19425 1332 1 2 . 1 1 123 123 HIS N N 123 131.440 131.440 127.603 3.837 19425 1333 1 2 . 1 1 123 123 HIS C C 123 175.704 175.704 175.603 0.101 19425 1334 1 2 . 1 1 123 123 HIS CA C 123 56.637 56.637 56.775 -0.138 19425 1335 1 2 . 1 1 123 123 HIS CB C 123 31.261 31.261 30.108 1.153 19425 1336 1 2 . 1 1 123 123 HIS H H 123 9.622 9.622 8.523 1.099 19425 1337 1 2 . 1 1 124 124 SER N N 124 127.024 127.024 124.554 2.470 19425 1338 1 2 . 1 1 124 124 SER C C 124 175.686 175.686 175.797 -0.111 19425 1339 1 2 . 1 1 124 124 SER CA C 124 62.010 62.010 61.559 0.451 19425 1340 1 2 . 1 1 124 124 SER CB C 124 62.912 62.912 62.787 0.125 19425 1341 1 2 . 1 1 124 124 SER H H 124 7.840 7.840 7.831 0.009 19425 1342 1 2 . 1 1 125 125 TYR N N 125 119.708 119.708 121.138 -1.430 19425 1343 1 2 . 1 1 125 125 TYR C C 125 180.696 180.696 177.033 3.663 19425 1344 1 2 . 1 1 125 125 TYR CA C 125 60.903 60.903 60.685 0.217 19425 1345 1 2 . 1 1 125 125 TYR CB C 125 38.744 38.744 38.519 0.225 19425 1346 1 2 . 1 1 125 125 TYR H H 125 8.746 8.746 7.343 1.403 19425 1347 1 2 . 1 1 126 126 SER N N 126 110.333 110.333 113.943 -3.610 19425 1348 1 2 . 1 1 126 126 SER C C 126 176.543 176.543 176.183 0.360 19425 1349 1 2 . 1 1 126 126 SER CA C 126 59.366 59.366 58.935 0.431 19425 1350 1 2 . 1 1 126 126 SER CB C 126 65.282 65.282 64.631 0.651 19425 1351 1 2 . 1 1 126 126 SER H H 126 7.004 7.004 8.057 -1.053 19425 1352 1 2 . 1 1 127 127 GLY N N 127 113.322 113.322 111.199 2.123 19425 1353 1 2 . 1 1 127 127 GLY C C 127 176.428 176.428 174.204 2.224 19425 1354 1 2 . 1 1 127 127 GLY CA C 127 46.064 46.064 45.563 0.501 19425 1355 1 2 . 1 1 127 127 GLY H H 127 8.181 8.181 8.468 -0.287 19425 1356 1 2 . 1 1 128 128 MET N N 128 118.598 118.598 119.295 -0.697 19425 1357 1 2 . 1 1 128 128 MET C C 128 173.200 173.200 175.097 -1.897 19425 1358 1 2 . 1 1 128 128 MET CA C 128 55.429 55.429 56.410 -0.980 19425 1359 1 2 . 1 1 128 128 MET CB C 128 35.988 35.988 34.159 1.829 19425 1360 1 2 . 1 1 128 128 MET H H 128 7.551 7.551 7.418 0.133 19425 1361 1 2 . 1 1 129 129 TYR N N 129 116.715 116.715 114.401 2.314 19425 1362 1 2 . 1 1 129 129 TYR C C 129 172.884 172.884 175.826 -2.942 19425 1363 1 2 . 1 1 129 129 TYR CA C 129 58.658 58.658 57.147 1.511 19425 1364 1 2 . 1 1 129 129 TYR CB C 129 40.914 40.914 41.320 -0.406 19425 1365 1 2 . 1 1 129 129 TYR H H 129 8.923 8.923 8.393 0.530 19425 1366 1 2 . 1 1 130 130 LEU N N 130 123.061 123.061 124.880 -1.819 19425 1367 1 2 . 1 1 130 130 LEU C C 130 176.677 176.677 176.505 0.172 19425 1368 1 2 . 1 1 130 130 LEU CA C 130 56.311 56.311 56.289 0.022 19425 1369 1 2 . 1 1 130 130 LEU CB C 130 42.909 42.909 42.343 0.566 19425 1370 1 2 . 1 1 130 130 LEU H H 130 8.236 8.236 8.942 -0.706 19425 1371 1 2 . 1 1 131 131 CYS N N 131 126.618 126.618 127.632 -1.014 19425 1372 1 2 . 1 1 131 131 CYS C C 131 177.616 177.616 173.108 4.508 19425 1373 1 2 . 1 1 131 131 CYS CA C 131 57.028 57.028 56.944 0.084 19425 1374 1 2 . 1 1 131 131 CYS CB C 131 32.339 32.339 30.165 2.174 19425 1375 1 2 . 1 1 131 131 CYS H H 131 9.516 9.516 9.453 0.063 19425 1376 1 2 . 1 1 132 132 CYS N N 132 124.860 124.860 127.404 -2.544 19425 1377 1 2 . 1 1 132 132 CYS C C 132 172.309 172.309 174.437 -2.128 19425 1378 1 2 . 1 1 132 132 CYS CA C 132 59.436 59.436 57.882 1.554 19425 1379 1 2 . 1 1 132 132 CYS CB C 132 27.383 27.383 26.806 0.577 19425 1380 1 2 . 1 1 132 132 CYS H H 132 8.142 8.142 8.243 -0.101 19425 1381 1 2 . 1 1 133 133 LEU N N 133 131.382 131.382 128.253 3.129 19425 1382 1 2 . 1 1 133 133 LEU C C 133 174.035 174.035 177.694 -3.659 19425 1383 1 2 . 1 1 133 133 LEU CA C 133 54.799 54.799 54.695 0.104 19425 1384 1 2 . 1 1 133 133 LEU CB C 133 41.109 41.109 42.795 -1.686 19425 1385 1 2 . 1 1 133 133 LEU H H 133 9.008 9.008 8.393 0.615 19425 1386 1 2 . 1 1 134 134 SER N N 134 112.103 112.103 114.192 -2.089 19425 1387 1 2 . 1 1 134 134 SER C C 134 175.519 175.519 174.377 1.142 19425 1388 1 2 . 1 1 134 134 SER CA C 134 58.320 58.320 58.597 -0.277 19425 1389 1 2 . 1 1 134 134 SER CB C 134 63.979 63.979 62.668 1.311 19425 1390 1 2 . 1 1 134 134 SER H H 134 8.229 8.229 8.464 -0.235 19425 1391 1 2 . 1 1 135 135 THR N N 135 111.693 111.693 113.398 -1.705 19425 1392 1 2 . 1 1 135 135 THR C C 135 174.535 174.535 175.061 -0.526 19425 1393 1 2 . 1 1 135 135 THR CA C 135 60.703 60.703 61.355 -0.652 19425 1394 1 2 . 1 1 135 135 THR CB C 135 70.624 70.624 71.168 -0.544 19425 1395 1 2 . 1 1 135 135 THR H H 135 7.292 7.292 7.380 -0.088 19425 1396 1 2 . 1 1 136 136 SER N N 136 117.260 117.260 122.337 -5.077 19425 1397 1 2 . 1 1 136 136 SER C C 136 173.478 173.478 174.591 -1.113 19425 1398 1 2 . 1 1 136 136 SER CA C 136 57.537 57.537 60.891 -3.354 19425 1399 1 2 . 1 1 136 136 SER CB C 136 64.593 64.593 63.838 0.755 19425 1400 1 2 . 1 1 136 136 SER H H 136 8.544 8.544 9.132 -0.588 19425 1401 1 2 . 1 1 137 137 ARG N N 137 124.804 124.804 116.604 8.200 19425 1402 1 2 . 1 1 137 137 ARG C C 137 175.000 175.000 175.163 -0.163 19425 1403 1 2 . 1 1 137 137 ARG CA C 137 56.922 56.922 56.679 0.243 19425 1404 1 2 . 1 1 137 137 ARG CB C 137 30.733 30.733 30.502 0.232 19425 1405 1 2 . 1 1 137 137 ARG H H 137 9.231 9.231 8.327 0.904 19425 1406 1 2 . 1 1 138 138 SER N N 138 126.225 126.225 113.703 12.522 19425 1407 1 2 . 1 1 138 138 SER C C 138 175.871 175.871 174.394 1.477 19425 1408 1 2 . 1 1 138 138 SER CA C 138 61.891 61.891 58.507 3.384 19425 1409 1 2 . 1 1 138 138 SER CB C 138 62.730 62.730 64.712 -1.982 19425 1410 1 2 . 1 1 138 138 SER H H 138 7.891 7.891 8.674 -0.783 19425 1411 1 2 . 1 1 140 140 THR N N 140 114.799 114.799 111.832 2.967 19425 1412 1 2 . 1 1 140 140 THR C C 140 173.756 173.756 174.622 -0.866 19425 1413 1 2 . 1 1 140 140 THR CA C 140 62.895 62.895 62.964 -0.069 19425 1414 1 2 . 1 1 140 140 THR CB C 140 69.332 69.332 68.960 0.372 19425 1415 1 2 . 1 1 140 140 THR H H 140 8.168 8.168 8.172 -0.004 19425 1416 1 2 . 1 1 141 141 ASP N N 141 121.772 121.772 121.360 0.412 19425 1417 1 2 . 1 1 141 141 ASP C C 141 174.795 174.795 176.005 -1.210 19425 1418 1 2 . 1 1 141 141 ASP CA C 141 54.001 54.001 54.324 -0.323 19425 1419 1 2 . 1 1 141 141 ASP CB C 141 40.914 40.914 42.191 -1.277 19425 1420 1 2 . 1 1 141 141 ASP H H 141 8.049 8.049 7.825 0.224 19425 1421 1 2 . 1 1 142 142 LYS N N 142 121.585 121.585 123.316 -1.731 19425 1422 1 2 . 1 1 142 142 LYS C C 142 176.274 176.274 176.874 -0.600 19425 1423 1 2 . 1 1 142 142 LYS CA C 142 57.106 57.106 56.135 0.971 19425 1424 1 2 . 1 1 142 142 LYS CB C 142 31.369 31.369 33.380 -2.011 19425 1425 1 2 . 1 1 142 142 LYS H H 142 8.376 8.376 8.324 0.052 19425 1426 1 2 . 1 1 143 143 LEU N N 143 119.604 119.604 117.427 2.177 19425 1427 1 2 . 1 1 143 143 LEU C C 143 176.798 176.798 176.058 0.740 19425 1428 1 2 . 1 1 143 143 LEU CA C 143 55.261 55.261 57.044 -1.783 19425 1429 1 2 . 1 1 143 143 LEU CB C 143 41.487 41.487 40.432 1.055 19425 1430 1 2 . 1 1 143 143 LEU H H 143 8.262 8.262 8.020 0.242 19425 1431 1 2 . 1 1 144 144 ALA N N 144 123.881 123.881 119.618 4.263 19425 1432 1 2 . 1 1 144 144 ALA C C 144 176.410 176.410 176.846 -0.436 19425 1433 1 2 . 1 1 144 144 ALA CA C 144 51.335 51.335 50.722 0.613 19425 1434 1 2 . 1 1 144 144 ALA CB C 144 20.924 20.924 20.607 0.317 19425 1435 1 2 . 1 1 144 144 ALA H H 144 7.614 7.614 7.573 0.041 19425 1436 1 2 . 1 1 145 145 PHE N N 145 120.083 120.083 118.667 1.416 19425 1437 1 2 . 1 1 145 145 PHE C C 145 176.948 176.948 175.676 1.272 19425 1438 1 2 . 1 1 145 145 PHE CA C 145 55.872 55.872 56.398 -0.526 19425 1439 1 2 . 1 1 145 145 PHE CB C 145 42.468 42.468 41.010 1.458 19425 1440 1 2 . 1 1 145 145 PHE H H 145 8.647 8.647 8.680 -0.033 19425 1441 1 2 . 1 1 146 146 ASP N N 146 119.893 119.893 120.539 -0.646 19425 1442 1 2 . 1 1 146 146 ASP C C 146 175.519 175.519 174.779 0.740 19425 1443 1 2 . 1 1 146 146 ASP CA C 146 54.679 54.679 54.469 0.210 19425 1444 1 2 . 1 1 146 146 ASP CB C 146 42.169 42.169 42.724 -0.555 19425 1445 1 2 . 1 1 146 146 ASP H H 146 8.692 8.692 8.863 -0.171 19425 1446 1 2 . 1 1 147 147 VAL N N 147 118.800 118.800 122.246 -3.446 19425 1447 1 2 . 1 1 147 147 VAL C C 147 174.053 174.053 175.709 -1.656 19425 1448 1 2 . 1 1 147 147 VAL CA C 147 60.671 60.671 61.033 -0.362 19425 1449 1 2 . 1 1 147 147 VAL CB C 147 35.326 35.326 32.081 3.245 19425 1450 1 2 . 1 1 147 147 VAL H H 147 8.224 8.224 8.522 -0.298 19425 1451 1 2 . 1 1 148 148 GLY N N 148 113.226 113.226 115.272 -2.046 19425 1452 1 2 . 1 1 148 148 GLY C C 148 175.141 175.141 172.260 2.881 19425 1453 1 2 . 1 1 148 148 GLY CA C 148 45.384 45.384 43.818 1.566 19425 1454 1 2 . 1 1 148 148 GLY H H 148 8.594 8.594 8.860 -0.266 19425 1455 1 2 . 1 1 149 149 LEU N N 149 120.880 120.880 119.373 1.507 19425 1456 1 2 . 1 1 149 149 LEU C C 149 170.973 170.973 175.251 -4.278 19425 1457 1 2 . 1 1 149 149 LEU CA C 149 53.299 53.299 53.645 -0.346 19425 1458 1 2 . 1 1 149 149 LEU CB C 149 43.938 43.938 45.838 -1.900 19425 1459 1 2 . 1 1 149 149 LEU H H 149 8.303 8.303 8.126 0.177 19425 1460 1 2 . 1 1 150 150 GLN N N 150 118.978 118.978 119.604 -0.626 19425 1461 1 2 . 1 1 150 150 GLN C C 150 177.133 177.133 175.723 1.410 19425 1462 1 2 . 1 1 150 150 GLN CA C 150 54.723 54.723 55.113 -0.390 19425 1463 1 2 . 1 1 150 150 GLN CB C 150 32.690 32.690 32.372 0.318 19425 1464 1 2 . 1 1 150 150 GLN H H 150 9.115 9.115 8.620 0.495 19425 1465 1 2 . 1 1 151 151 GLU N N 151 121.344 121.344 125.116 -3.772 19425 1466 1 2 . 1 1 151 151 GLU C C 151 175.333 175.333 176.082 -0.749 19425 1467 1 2 . 1 1 151 151 GLU CA C 151 59.140 59.140 58.777 0.363 19425 1468 1 2 . 1 1 151 151 GLU CB C 151 30.735 30.735 29.676 1.059 19425 1469 1 2 . 1 1 151 151 GLU H H 151 9.142 9.142 8.832 0.310 19425 1470 1 2 . 1 1 152 152 ASP N N 152 117.494 117.494 117.383 0.111 19425 1471 1 2 . 1 1 152 152 ASP C C 152 176.391 176.391 175.811 0.580 19425 1472 1 2 . 1 1 152 152 ASP CA C 152 54.139 54.139 54.520 -0.381 19425 1473 1 2 . 1 1 152 152 ASP CB C 152 41.920 41.920 41.130 0.790 19425 1474 1 2 . 1 1 152 152 ASP H H 152 8.023 8.023 8.053 -0.030 19425 1475 1 2 . 1 1 153 153 THR N N 153 111.969 111.969 106.483 5.486 19425 1476 1 2 . 1 1 153 153 THR C C 153 175.964 175.964 174.910 1.054 19425 1477 1 2 . 1 1 153 153 THR CA C 153 61.894 61.894 61.880 0.014 19425 1478 1 2 . 1 1 153 153 THR CB C 153 68.903 68.903 69.276 -0.373 19425 1479 1 2 . 1 1 153 153 THR H H 153 7.985 7.985 7.994 -0.009 19425 1480 1 2 . 1 1 154 154 THR N N 154 113.978 113.978 114.089 -0.111 19425 1481 1 2 . 1 1 154 154 THR C C 154 175.000 175.000 175.156 -0.156 19425 1482 1 2 . 1 1 154 154 THR CA C 154 62.359 62.359 63.829 -1.470 19425 1483 1 2 . 1 1 154 154 THR CB C 154 69.210 69.210 68.703 0.507 19425 1484 1 2 . 1 1 154 154 THR H H 154 7.790 7.790 7.676 0.114 19425 1485 1 2 . 1 1 155 155 GLY N N 155 108.411 108.411 114.235 -5.824 19425 1486 1 2 . 1 1 155 155 GLY C C 155 174.702 174.702 172.733 1.969 19425 1487 1 2 . 1 1 155 155 GLY CA C 155 44.737 44.737 44.727 0.010 19425 1488 1 2 . 1 1 155 155 GLY H H 155 7.639 7.639 8.058 -0.419 19425 1489 1 2 . 1 1 156 156 GLU N N 156 118.666 118.666 120.765 -2.099 19425 1490 1 2 . 1 1 156 156 GLU C C 156 173.571 173.571 177.723 -4.152 19425 1491 1 2 . 1 1 156 156 GLU CA C 156 59.352 59.352 56.801 2.551 19425 1492 1 2 . 1 1 156 156 GLU CB C 156 31.248 31.248 30.295 0.953 19425 1493 1 2 . 1 1 156 156 GLU H H 156 8.606 8.606 8.682 -0.076 19425 1494 1 2 . 1 1 157 157 ALA N N 157 118.664 118.664 123.974 -5.310 19425 1495 1 2 . 1 1 157 157 ALA C C 157 177.727 177.727 178.312 -0.585 19425 1496 1 2 . 1 1 157 157 ALA CA C 157 55.063 55.063 54.578 0.485 19425 1497 1 2 . 1 1 157 157 ALA CB C 157 18.856 18.856 18.305 0.551 19425 1498 1 2 . 1 1 157 157 ALA H H 157 8.159 8.159 8.460 -0.301 19425 1499 1 2 . 1 1 158 158 CYS N N 158 114.681 114.681 114.847 -0.166 19425 1500 1 2 . 1 1 158 158 CYS C C 158 179.972 179.972 173.501 6.471 19425 1501 1 2 . 1 1 158 158 CYS CA C 158 57.585 57.585 58.695 -1.110 19425 1502 1 2 . 1 1 158 158 CYS CB C 158 27.977 27.977 26.223 1.754 19425 1503 1 2 . 1 1 158 158 CYS H H 158 7.973 7.973 8.290 -0.317 19425 1504 1 2 . 1 1 165 165 ALA N N 165 122.416 122.416 128.258 -5.842 19425 1505 1 2 . 1 1 165 165 ALA C C 165 176.743 176.743 177.689 -0.946 19425 1506 1 2 . 1 1 165 165 ALA CA C 165 52.390 52.390 53.992 -1.601 19425 1507 1 2 . 1 1 165 165 ALA CB C 165 20.486 20.486 19.225 1.261 19425 1508 1 2 . 1 1 165 165 ALA H H 165 8.190 8.190 8.617 -0.427 19425 1509 1 2 . 1 1 166 166 SER N N 166 111.681 111.681 113.175 -1.494 19425 1510 1 2 . 1 1 166 166 SER C C 166 176.876 176.876 174.206 2.670 19425 1511 1 2 . 1 1 166 166 SER CA C 166 56.863 56.863 56.969 -0.106 19425 1512 1 2 . 1 1 166 166 SER CB C 166 65.738 65.738 64.453 1.285 19425 1513 1 2 . 1 1 166 166 SER H H 166 7.690 7.690 7.677 0.013 19425 1514 1 2 . 1 1 167 167 LYS N N 167 121.655 121.655 119.023 2.632 19425 1515 1 2 . 1 1 167 167 LYS C C 167 175.241 175.241 176.157 -0.916 19425 1516 1 2 . 1 1 167 167 LYS CA C 167 55.297 55.297 57.130 -1.833 19425 1517 1 2 . 1 1 167 167 LYS CB C 167 31.364 31.364 32.321 -0.957 19425 1518 1 2 . 1 1 167 167 LYS H H 167 8.230 8.230 8.446 -0.216 19425 1519 1 2 . 1 1 168 168 GLN N N 168 117.832 117.832 117.313 0.519 19425 1520 1 2 . 1 1 168 168 GLN C C 168 176.836 176.836 176.182 0.654 19425 1521 1 2 . 1 1 168 168 GLN CA C 168 57.366 57.366 56.268 1.098 19425 1522 1 2 . 1 1 168 168 GLN CB C 168 28.979 28.979 28.913 0.066 19425 1523 1 2 . 1 1 168 168 GLN H H 168 8.134 8.134 8.212 -0.078 19425 1524 1 2 . 1 1 169 169 ARG N N 169 117.052 117.052 120.446 -3.394 19425 1525 1 2 . 1 1 169 169 ARG C C 169 175.946 175.946 175.346 0.600 19425 1526 1 2 . 1 1 169 169 ARG CA C 169 52.885 52.885 54.711 -1.826 19425 1527 1 2 . 1 1 169 169 ARG CB C 169 32.795 32.795 30.823 1.972 19425 1528 1 2 . 1 1 169 169 ARG H H 169 7.209 7.209 7.759 -0.550 19425 1529 1 2 . 1 1 170 170 SER N N 170 114.335 114.335 113.555 0.780 19425 1530 1 2 . 1 1 170 170 SER C C 170 174.387 174.387 173.462 0.925 19425 1531 1 2 . 1 1 170 170 SER CA C 170 56.976 56.976 55.890 1.086 19425 1532 1 2 . 1 1 170 170 SER CB C 170 66.348 66.348 65.281 1.067 19425 1533 1 2 . 1 1 170 170 SER H H 170 8.279 8.279 8.550 -0.271 19425 1534 1 2 . 1 1 171 171 GLU N N 171 121.428 121.428 121.679 -0.251 19425 1535 1 2 . 1 1 171 171 GLU C C 171 173.293 173.293 177.174 -3.881 19425 1536 1 2 . 1 1 171 171 GLU CA C 171 58.658 58.658 57.420 1.238 19425 1537 1 2 . 1 1 171 171 GLU CB C 171 28.693 28.693 28.773 -0.080 19425 1538 1 2 . 1 1 171 171 GLU H H 171 8.540 8.540 8.712 -0.172 19425 1539 1 2 . 1 1 172 172 GLY N N 172 113.162 113.162 115.414 -2.252 19425 1540 1 2 . 1 1 172 172 GLY C C 172 177.504 177.504 174.375 3.129 19425 1541 1 2 . 1 1 172 172 GLY CA C 172 45.452 45.452 44.924 0.528 19425 1542 1 2 . 1 1 172 172 GLY H H 172 8.676 8.676 8.979 -0.303 19425 1543 1 2 . 1 1 173 173 GLU N N 173 119.545 119.545 121.352 -1.807 19425 1544 1 2 . 1 1 173 173 GLU C C 173 173.311 173.311 176.102 -2.791 19425 1545 1 2 . 1 1 173 173 GLU CA C 173 55.689 55.689 56.576 -0.887 19425 1546 1 2 . 1 1 173 173 GLU CB C 173 31.204 31.204 30.843 0.361 19425 1547 1 2 . 1 1 173 173 GLU H H 173 7.805 7.805 7.891 -0.086 19425 1548 1 2 . 1 1 174 174 LYS N N 174 120.834 120.834 121.669 -0.835 19425 1549 1 2 . 1 1 174 174 LYS C C 174 175.352 175.352 176.782 -1.430 19425 1550 1 2 . 1 1 174 174 LYS CA C 174 57.207 57.207 57.027 0.180 19425 1551 1 2 . 1 1 174 174 LYS CB C 174 34.185 34.185 32.778 1.407 19425 1552 1 2 . 1 1 174 174 LYS H H 174 8.215 8.215 8.504 -0.289 19425 1553 1 2 . 1 1 175 175 VAL N N 175 122.529 122.529 123.969 -1.440 19425 1554 1 2 . 1 1 175 175 VAL C C 175 176.595 176.595 175.599 0.996 19425 1555 1 2 . 1 1 175 175 VAL CA C 175 63.046 63.046 61.262 1.784 19425 1556 1 2 . 1 1 175 175 VAL CB C 175 31.265 31.265 30.889 0.376 19425 1557 1 2 . 1 1 175 175 VAL H H 175 7.914 7.914 8.425 -0.511 19425 1558 1 2 . 1 1 176 176 ARG N N 176 127.622 127.622 127.649 -0.027 19425 1559 1 2 . 1 1 176 176 ARG C C 176 175.742 175.742 176.836 -1.094 19425 1560 1 2 . 1 1 176 176 ARG CA C 176 55.767 55.767 55.146 0.621 19425 1561 1 2 . 1 1 176 176 ARG CB C 176 30.480 30.480 31.223 -0.743 19425 1562 1 2 . 1 1 176 176 ARG H H 176 7.570 7.570 8.771 -1.201 19425 1563 1 2 . 1 1 177 177 VAL N N 177 122.521 122.521 123.034 -0.513 19425 1564 1 2 . 1 1 177 177 VAL C C 177 177.523 177.523 177.399 0.124 19425 1565 1 2 . 1 1 177 177 VAL CA C 177 65.322 65.322 64.103 1.219 19425 1566 1 2 . 1 1 177 177 VAL CB C 177 31.431 31.431 30.533 0.898 19425 1567 1 2 . 1 1 177 177 VAL H H 177 8.276 8.276 7.966 0.310 19425 1568 1 2 . 1 1 179 179 ASP N N 179 122.577 122.577 123.637 -1.060 19425 1569 1 2 . 1 1 179 179 ASP C C 179 174.554 174.554 175.872 -1.318 19425 1570 1 2 . 1 1 179 179 ASP CA C 179 54.687 54.687 54.994 -0.307 19425 1571 1 2 . 1 1 179 179 ASP CB C 179 40.417 40.417 41.104 -0.687 19425 1572 1 2 . 1 1 179 179 ASP H H 179 7.848 7.848 7.950 -0.102 19425 1573 1 2 . 1 1 180 180 ASP N N 180 121.916 121.916 124.130 -2.214 19425 1574 1 2 . 1 1 180 180 ASP C C 180 174.610 174.610 175.902 -1.292 19425 1575 1 2 . 1 1 180 180 ASP CA C 180 54.379 54.379 54.897 -0.518 19425 1576 1 2 . 1 1 180 180 ASP CB C 180 42.178 42.178 40.824 1.354 19425 1577 1 2 . 1 1 180 180 ASP H H 180 8.521 8.521 8.491 0.030 19425 1578 1 2 . 1 1 181 181 LEU N N 181 121.499 121.499 123.666 -2.167 19425 1579 1 2 . 1 1 181 181 LEU C C 181 175.166 175.166 176.738 -1.572 19425 1580 1 2 . 1 1 181 181 LEU CA C 181 54.379 54.379 53.668 0.711 19425 1581 1 2 . 1 1 181 181 LEU CB C 181 45.395 45.395 44.467 0.928 19425 1582 1 2 . 1 1 181 181 LEU H H 181 9.782 9.782 9.047 0.735 19425 1583 1 2 . 1 1 185 185 SER N N 185 122.939 122.939 122.031 0.908 19425 1584 1 2 . 1 1 185 185 SER C C 185 175.871 175.871 175.618 0.253 19425 1585 1 2 . 1 1 185 185 SER CA C 185 57.514 57.514 57.808 -0.294 19425 1586 1 2 . 1 1 185 185 SER CB C 185 62.772 62.772 63.155 -0.383 19425 1587 1 2 . 1 1 185 185 SER H H 185 9.183 9.183 8.844 0.339 19425 1588 1 2 . 1 1 186 186 VAL N N 186 131.799 131.799 129.239 2.560 19425 1589 1 2 . 1 1 186 186 VAL C C 186 177.226 177.226 177.107 0.119 19425 1590 1 2 . 1 1 186 186 VAL CA C 186 65.883 65.883 65.809 0.074 19425 1591 1 2 . 1 1 186 186 VAL CB C 186 31.190 31.190 31.670 -0.480 19425 1592 1 2 . 1 1 186 186 VAL H H 186 8.285 8.285 8.445 -0.160 19425 1593 1 2 . 1 1 187 187 SER N N 187 110.228 110.228 114.113 -3.885 19425 1594 1 2 . 1 1 187 187 SER C C 187 177.077 177.077 175.467 1.610 19425 1595 1 2 . 1 1 187 187 SER CA C 187 60.200 60.200 60.516 -0.316 19425 1596 1 2 . 1 1 187 187 SER CB C 187 62.264 62.264 63.733 -1.469 19425 1597 1 2 . 1 1 187 187 SER H H 187 7.000 7.000 7.933 -0.933 19425 1598 1 2 . 1 1 188 188 SER N N 188 115.022 115.022 115.798 -0.776 19425 1599 1 2 . 1 1 188 188 SER C C 188 176.632 176.632 173.465 3.167 19425 1600 1 2 . 1 1 188 188 SER CA C 188 58.889 58.889 58.197 0.692 19425 1601 1 2 . 1 1 188 188 SER CB C 188 66.818 66.818 64.944 1.874 19425 1602 1 2 . 1 1 188 188 SER H H 188 7.886 7.886 7.552 0.334 19425 1603 1 2 . 1 1 189 189 GLU N N 189 118.477 118.477 118.037 0.440 19425 1604 1 2 . 1 1 189 189 GLU C C 189 175.000 175.000 174.980 0.020 19425 1605 1 2 . 1 1 189 189 GLU CA C 189 58.562 58.562 57.771 0.791 19425 1606 1 2 . 1 1 189 189 GLU CB C 189 27.420 27.420 27.273 0.146 19425 1607 1 2 . 1 1 189 189 GLU H H 189 7.929 7.929 8.195 -0.266 19425 1608 1 2 . 1 1 190 190 ARG N N 190 116.828 116.828 116.956 -0.128 19425 1609 1 2 . 1 1 190 190 ARG C C 190 173.868 173.868 176.067 -2.199 19425 1610 1 2 . 1 1 190 190 ARG CA C 190 54.238 54.238 54.550 -0.312 19425 1611 1 2 . 1 1 190 190 ARG CB C 190 32.141 32.141 33.005 -0.864 19425 1612 1 2 . 1 1 190 190 ARG H H 190 6.723 6.723 7.255 -0.532 19425 1613 1 2 . 1 1 191 191 TYR N N 191 118.733 118.733 121.387 -2.654 19425 1614 1 2 . 1 1 191 191 TYR C C 191 174.368 174.368 177.349 -2.981 19425 1615 1 2 . 1 1 191 191 TYR CA C 191 57.405 57.405 58.725 -1.321 19425 1616 1 2 . 1 1 191 191 TYR CB C 191 39.444 39.444 39.455 -0.011 19425 1617 1 2 . 1 1 191 191 TYR H H 191 8.912 8.912 8.996 -0.084 19425 1618 1 2 . 1 1 192 192 LEU N N 192 123.460 123.460 124.624 -1.164 19425 1619 1 2 . 1 1 192 192 LEU C C 192 176.753 176.753 176.076 0.677 19425 1620 1 2 . 1 1 192 192 LEU CA C 192 57.061 57.061 54.190 2.871 19425 1621 1 2 . 1 1 192 192 LEU CB C 192 41.351 41.351 40.569 0.782 19425 1622 1 2 . 1 1 192 192 LEU H H 192 8.836 8.836 8.881 -0.045 19425 1623 1 2 . 1 1 193 193 HIS N N 193 134.195 134.195 125.104 9.091 19425 1624 1 2 . 1 1 193 193 HIS C C 193 178.766 178.766 174.448 4.318 19425 1625 1 2 . 1 1 193 193 HIS CA C 193 56.349 56.349 56.187 0.162 19425 1626 1 2 . 1 1 193 193 HIS CB C 193 31.613 31.613 31.820 -0.207 19425 1627 1 2 . 1 1 193 193 HIS H H 193 10.227 10.227 8.925 1.302 19425 1628 1 2 . 1 1 194 194 LEU N N 194 128.500 128.500 126.896 1.604 19425 1629 1 2 . 1 1 194 194 LEU C C 194 170.268 170.268 175.228 -4.960 19425 1630 1 2 . 1 1 194 194 LEU CA C 194 54.139 54.139 53.634 0.505 19425 1631 1 2 . 1 1 194 194 LEU CB C 194 44.036 44.036 43.953 0.083 19425 1632 1 2 . 1 1 194 194 LEU H H 194 7.784 7.784 7.560 0.224 19425 1633 1 2 . 1 1 195 195 SER N N 195 122.195 122.195 122.276 -0.081 19425 1634 1 2 . 1 1 195 195 SER C C 195 174.740 174.740 173.452 1.288 19425 1635 1 2 . 1 1 195 195 SER CA C 195 56.814 56.814 57.049 -0.235 19425 1636 1 2 . 1 1 195 195 SER CB C 195 66.260 66.260 66.028 0.232 19425 1637 1 2 . 1 1 195 195 SER H H 195 9.042 9.042 9.071 -0.029 19425 1638 1 2 . 1 1 196 196 TYR N N 196 124.809 124.809 126.428 -1.619 19425 1639 1 2 . 1 1 196 196 TYR C C 196 172.439 172.439 175.369 -2.930 19425 1640 1 2 . 1 1 196 196 TYR CA C 196 57.019 57.019 56.938 0.081 19425 1641 1 2 . 1 1 196 196 TYR CB C 196 39.817 39.817 38.516 1.301 19425 1642 1 2 . 1 1 196 196 TYR H H 196 8.657 8.657 8.947 -0.290 19425 1643 1 2 . 1 1 197 197 GLY N N 197 114.111 114.111 114.473 -0.362 19425 1644 1 2 . 1 1 197 197 GLY C C 197 176.113 176.113 174.325 1.788 19425 1645 1 2 . 1 1 197 197 GLY CA C 197 45.492 45.492 44.377 1.115 19425 1646 1 2 . 1 1 197 197 GLY H H 197 8.030 8.030 8.274 -0.244 19425 1647 1 2 . 1 1 200 200 SER N N 200 113.158 113.158 114.938 -1.780 19425 1648 1 2 . 1 1 200 200 SER C C 200 172.661 172.661 171.794 0.867 19425 1649 1 2 . 1 1 200 200 SER CA C 200 56.890 56.890 56.168 0.722 19425 1650 1 2 . 1 1 200 200 SER CB C 200 65.522 65.522 65.121 0.401 19425 1651 1 2 . 1 1 200 200 SER H H 200 6.893 6.893 7.371 -0.478 19425 1652 1 2 . 1 1 201 201 TRP N N 201 122.521 122.521 119.808 2.713 19425 1653 1 2 . 1 1 201 201 TRP C C 201 171.813 171.813 175.995 -4.182 19425 1654 1 2 . 1 1 201 201 TRP CA C 201 56.990 56.990 56.003 0.987 19425 1655 1 2 . 1 1 201 201 TRP CB C 201 31.501 31.501 32.223 -0.722 19425 1656 1 2 . 1 1 201 201 TRP H H 201 8.243 8.243 8.131 0.112 19425 1657 1 2 . 1 1 202 202 HIS N N 202 121.171 121.171 118.876 2.295 19425 1658 1 2 . 1 1 202 202 HIS C C 202 173.805 173.805 173.682 0.123 19425 1659 1 2 . 1 1 202 202 HIS CA C 202 55.169 55.169 54.755 0.414 19425 1660 1 2 . 1 1 202 202 HIS CB C 202 32.254 32.254 34.036 -1.782 19425 1661 1 2 . 1 1 202 202 HIS H H 202 9.383 9.383 9.353 0.030 19425 1662 1 2 . 1 1 203 203 VAL N N 203 119.943 119.943 121.520 -1.577 19425 1663 1 2 . 1 1 203 203 VAL C C 203 172.439 172.439 174.491 -2.052 19425 1664 1 2 . 1 1 203 203 VAL CA C 203 58.683 58.683 59.715 -1.032 19425 1665 1 2 . 1 1 203 203 VAL CB C 203 33.957 33.957 34.528 -0.571 19425 1666 1 2 . 1 1 203 203 VAL H H 203 8.649 8.649 8.858 -0.209 19425 1667 1 2 . 1 1 204 204 ASP N N 204 127.907 127.907 126.199 1.708 19425 1668 1 2 . 1 1 204 204 ASP C C 204 173.162 173.162 173.812 -0.650 19425 1669 1 2 . 1 1 204 204 ASP CA C 204 53.545 53.545 52.901 0.644 19425 1670 1 2 . 1 1 204 204 ASP CB C 204 42.169 42.169 44.351 -2.182 19425 1671 1 2 . 1 1 204 204 ASP H H 204 9.822 9.822 9.021 0.801 19425 1672 1 2 . 1 1 205 205 ALA N N 205 121.047 121.047 121.175 -0.128 19425 1673 1 2 . 1 1 205 205 ALA C C 205 172.754 172.754 176.210 -3.456 19425 1674 1 2 . 1 1 205 205 ALA CA C 205 50.147 50.147 50.610 -0.463 19425 1675 1 2 . 1 1 205 205 ALA CB C 205 19.642 19.642 19.470 0.172 19425 1676 1 2 . 1 1 205 205 ALA H H 205 9.176 9.176 8.452 0.724 19425 1677 1 2 . 1 1 206 206 ALA N N 206 127.318 127.318 126.292 1.026 19425 1678 1 2 . 1 1 206 206 ALA C C 206 176.465 176.465 175.909 0.556 19425 1679 1 2 . 1 1 206 206 ALA CA C 206 50.609 50.609 50.405 0.204 19425 1680 1 2 . 1 1 206 206 ALA CB C 206 23.819 23.819 21.816 2.003 19425 1681 1 2 . 1 1 206 206 ALA H H 206 9.088 9.088 8.054 1.034 19425 1682 1 2 . 1 1 207 207 PHE N N 207 117.878 117.878 117.111 0.767 19425 1683 1 2 . 1 1 207 207 PHE C C 207 176.576 176.576 175.710 0.866 19425 1684 1 2 . 1 1 207 207 PHE CA C 207 59.714 59.714 58.734 0.980 19425 1685 1 2 . 1 1 207 207 PHE CB C 207 38.239 38.239 38.842 -0.603 19425 1686 1 2 . 1 1 207 207 PHE H H 207 8.953 8.953 8.491 0.462 19425 1687 1 2 . 1 1 208 208 GLN N N 208 117.531 117.531 117.248 0.283 19425 1688 1 2 . 1 1 208 208 GLN C C 208 175.166 175.166 175.284 -0.118 19425 1689 1 2 . 1 1 208 208 GLN CA C 208 55.096 55.096 54.027 1.069 19425 1690 1 2 . 1 1 208 208 GLN CB C 208 30.437 30.437 30.930 -0.493 19425 1691 1 2 . 1 1 208 208 GLN H H 208 6.613 6.613 7.749 -1.136 19425 1692 1 2 . 1 1 209 209 GLN N N 209 117.318 117.318 122.125 -4.807 19425 1693 1 2 . 1 1 209 209 GLN C C 209 173.162 173.162 175.591 -2.429 19425 1694 1 2 . 1 1 209 209 GLN CA C 209 56.217 56.217 56.721 -0.504 19425 1695 1 2 . 1 1 209 209 GLN CB C 209 29.912 29.912 29.427 0.485 19425 1696 1 2 . 1 1 209 209 GLN H H 209 8.108 8.108 8.322 -0.214 19425 1697 1 2 . 1 1 210 210 THR N N 210 116.616 116.616 114.158 2.458 19425 1698 1 2 . 1 1 210 210 THR C C 210 176.150 176.150 172.768 3.382 19425 1699 1 2 . 1 1 210 210 THR CA C 210 62.848 62.848 61.842 1.006 19425 1700 1 2 . 1 1 210 210 THR CB C 210 73.244 73.244 70.576 2.668 19425 1701 1 2 . 1 1 210 210 THR H H 210 6.641 6.641 8.266 -1.625 19425 1702 1 2 . 1 1 211 211 LEU N N 211 126.776 126.776 126.816 -0.040 19425 1703 1 2 . 1 1 211 211 LEU C C 211 171.418 171.418 175.611 -4.193 19425 1704 1 2 . 1 1 211 211 LEU CA C 211 55.012 55.012 54.766 0.246 19425 1705 1 2 . 1 1 211 211 LEU CB C 211 41.627 41.627 42.196 -0.569 19425 1706 1 2 . 1 1 211 211 LEU H H 211 8.418 8.418 8.465 -0.047 19425 1707 1 2 . 1 1 212 212 TRP N N 212 124.678 124.678 124.969 -0.291 19425 1708 1 2 . 1 1 212 212 TRP C C 212 175.742 175.742 175.678 0.064 19425 1709 1 2 . 1 1 212 212 TRP CA C 212 56.052 56.052 55.729 0.323 19425 1710 1 2 . 1 1 212 212 TRP CB C 212 31.169 31.169 33.120 -1.952 19425 1711 1 2 . 1 1 212 212 TRP H H 212 9.462 9.462 9.226 0.236 19425 1712 1 2 . 1 1 213 213 SER N N 213 118.197 118.197 117.439 0.758 19425 1713 1 2 . 1 1 213 213 SER C C 213 175.575 175.575 173.609 1.966 19425 1714 1 2 . 1 1 213 213 SER CA C 213 57.141 57.141 57.425 -0.284 19425 1715 1 2 . 1 1 213 213 SER CB C 213 64.800 64.800 64.049 0.751 19425 1716 1 2 . 1 1 213 213 SER H H 213 9.642 9.642 9.306 0.336 19425 1717 1 2 . 1 1 214 214 VAL N N 214 125.581 125.581 128.446 -2.865 19425 1718 1 2 . 1 1 214 214 VAL C C 214 174.183 174.183 174.912 -0.729 19425 1719 1 2 . 1 1 214 214 VAL CA C 214 61.398 61.398 61.394 0.004 19425 1720 1 2 . 1 1 214 214 VAL CB C 214 32.502 32.502 30.756 1.746 19425 1721 1 2 . 1 1 214 214 VAL H H 214 8.433 8.433 8.802 -0.369 19425 1722 1 2 . 1 1 215 215 ALA N N 215 130.074 130.074 131.874 -1.800 19425 1723 1 2 . 1 1 215 215 ALA C C 215 174.647 174.647 174.294 0.353 19425 1724 1 2 . 1 1 215 215 ALA CA C 215 49.058 49.058 48.664 0.394 19425 1725 1 2 . 1 1 215 215 ALA CB C 215 20.299 20.299 20.681 -0.383 19425 1726 1 2 . 1 1 215 215 ALA H H 215 8.572 8.572 8.343 0.229 19425 1727 1 3 . 1 1 13 13 PHE N N 13 122.001 122.001 121.187 0.814 19425 1728 1 3 . 1 1 13 13 PHE C C 13 174.608 174.608 175.821 -1.213 19425 1729 1 3 . 1 1 13 13 PHE CA C 13 56.445 56.445 55.632 0.813 19425 1730 1 3 . 1 1 13 13 PHE CB C 13 41.650 41.650 41.995 -0.345 19425 1731 1 3 . 1 1 13 13 PHE H H 13 8.209 8.209 8.268 -0.059 19425 1732 1 3 . 1 1 14 14 LEU N N 14 122.475 122.475 123.611 -1.136 19425 1733 1 3 . 1 1 14 14 LEU C C 14 175.630 175.630 176.011 -0.381 19425 1734 1 3 . 1 1 14 14 LEU CA C 14 55.024 55.024 54.946 0.078 19425 1735 1 3 . 1 1 14 14 LEU CB C 14 43.987 43.987 42.082 1.905 19425 1736 1 3 . 1 1 14 14 LEU H H 14 8.264 8.264 8.879 -0.615 19425 1737 1 3 . 1 1 15 15 ARG N N 15 121.510 121.510 122.739 -1.229 19425 1738 1 3 . 1 1 15 15 ARG C C 15 175.630 175.630 177.280 -1.650 19425 1739 1 3 . 1 1 15 15 ARG CA C 15 54.007 54.007 52.781 1.226 19425 1740 1 3 . 1 1 15 15 ARG CB C 15 34.536 34.536 32.908 1.628 19425 1741 1 3 . 1 1 15 15 ARG H H 15 8.653 8.653 8.206 0.447 19425 1742 1 3 . 1 1 16 16 THR N N 16 110.840 110.840 112.447 -1.607 19425 1743 1 3 . 1 1 16 16 THR C C 16 175.946 175.946 175.480 0.466 19425 1744 1 3 . 1 1 16 16 THR CA C 16 62.950 62.950 62.740 0.210 19425 1745 1 3 . 1 1 16 16 THR CB C 16 69.276 69.276 69.539 -0.263 19425 1746 1 3 . 1 1 16 16 THR H H 16 8.815 8.815 8.591 0.224 19425 1747 1 3 . 1 1 17 17 ASP N N 17 114.036 114.036 117.056 -3.020 19425 1748 1 3 . 1 1 17 17 ASP C C 17 175.686 175.686 175.273 0.413 19425 1749 1 3 . 1 1 17 17 ASP CA C 17 57.735 57.735 57.017 0.718 19425 1750 1 3 . 1 1 17 17 ASP CB C 17 39.928 39.928 40.442 -0.514 19425 1751 1 3 . 1 1 17 17 ASP H H 17 9.241 9.241 9.011 0.230 19425 1752 1 3 . 1 1 18 18 ASP N N 18 122.062 122.062 120.908 1.154 19425 1753 1 3 . 1 1 18 18 ASP C C 18 175.946 175.946 175.893 0.053 19425 1754 1 3 . 1 1 18 18 ASP CA C 18 56.214 56.214 54.779 1.435 19425 1755 1 3 . 1 1 18 18 ASP CB C 18 40.985 40.985 41.556 -0.571 19425 1756 1 3 . 1 1 18 18 ASP H H 18 8.035 8.035 7.644 0.391 19425 1757 1 3 . 1 1 19 19 GLU N N 19 122.006 122.006 123.722 -1.716 19425 1758 1 3 . 1 1 19 19 GLU C C 19 175.055 175.055 176.272 -1.217 19425 1759 1 3 . 1 1 19 19 GLU CA C 19 55.262 55.262 56.690 -1.427 19425 1760 1 3 . 1 1 19 19 GLU CB C 19 30.712 30.712 30.514 0.199 19425 1761 1 3 . 1 1 19 19 GLU H H 19 8.274 8.274 8.632 -0.358 19425 1762 1 3 . 1 1 20 20 VAL N N 20 118.214 118.214 121.395 -3.181 19425 1763 1 3 . 1 1 20 20 VAL C C 20 176.855 176.855 173.796 3.059 19425 1764 1 3 . 1 1 20 20 VAL CA C 20 59.054 59.054 59.160 -0.106 19425 1765 1 3 . 1 1 20 20 VAL CB C 20 36.780 36.780 36.403 0.377 19425 1766 1 3 . 1 1 20 20 VAL H H 20 9.779 9.779 9.175 0.604 19425 1767 1 3 . 1 1 21 21 VAL N N 21 115.443 115.443 115.737 -0.294 19425 1768 1 3 . 1 1 21 21 VAL C C 21 173.830 173.830 174.068 -0.238 19425 1769 1 3 . 1 1 21 21 VAL CA C 21 60.308 60.308 59.396 0.912 19425 1770 1 3 . 1 1 21 21 VAL CB C 21 34.625 34.625 34.955 -0.330 19425 1771 1 3 . 1 1 21 21 VAL H H 21 8.167 8.167 8.512 -0.345 19425 1772 1 3 . 1 1 22 22 LEU N N 22 128.072 128.072 127.833 0.239 19425 1773 1 3 . 1 1 22 22 LEU C C 22 174.858 174.858 176.037 -1.179 19425 1774 1 3 . 1 1 22 22 LEU CA C 22 55.656 55.656 54.357 1.299 19425 1775 1 3 . 1 1 22 22 LEU CB C 22 42.545 42.545 41.997 0.548 19425 1776 1 3 . 1 1 22 22 LEU H H 22 10.103 10.103 8.988 1.115 19425 1777 1 3 . 1 1 23 23 GLN N N 23 120.609 120.609 123.024 -2.415 19425 1778 1 3 . 1 1 23 23 GLN C C 23 175.500 175.500 175.303 0.197 19425 1779 1 3 . 1 1 23 23 GLN CA C 23 53.710 53.710 53.964 -0.254 19425 1780 1 3 . 1 1 23 23 GLN CB C 23 33.697 33.697 33.386 0.311 19425 1781 1 3 . 1 1 23 23 GLN H H 23 9.119 9.119 8.676 0.443 19425 1782 1 3 . 1 1 24 24 CYS N N 24 118.659 118.659 117.257 1.402 19425 1783 1 3 . 1 1 24 24 CYS C C 24 174.443 174.443 173.821 0.622 19425 1784 1 3 . 1 1 24 24 CYS CA C 24 55.261 55.261 56.760 -1.499 19425 1785 1 3 . 1 1 24 24 CYS CB C 24 30.302 30.302 30.838 -0.536 19425 1786 1 3 . 1 1 24 24 CYS H H 24 8.993 8.993 9.081 -0.088 19425 1787 1 3 . 1 1 25 25 THR N N 25 116.266 116.266 120.477 -4.211 19425 1788 1 3 . 1 1 25 25 THR C C 25 172.457 172.457 173.734 -1.277 19425 1789 1 3 . 1 1 25 25 THR CA C 25 61.858 61.858 62.972 -1.114 19425 1790 1 3 . 1 1 25 25 THR CB C 25 70.271 70.271 69.154 1.117 19425 1791 1 3 . 1 1 25 25 THR H H 25 8.480 8.480 8.625 -0.145 19425 1792 1 3 . 1 1 26 26 ALA N N 26 129.739 129.739 131.568 -1.829 19425 1793 1 3 . 1 1 26 26 ALA C C 26 172.717 172.717 175.157 -2.440 19425 1794 1 3 . 1 1 26 26 ALA CA C 26 50.642 50.642 50.172 0.470 19425 1795 1 3 . 1 1 26 26 ALA CB C 26 21.315 21.315 19.815 1.500 19425 1796 1 3 . 1 1 26 26 ALA H H 26 8.590 8.590 8.615 -0.025 19425 1797 1 3 . 1 1 27 27 THR N N 27 116.574 116.574 118.827 -2.253 19425 1798 1 3 . 1 1 27 27 THR C C 27 173.181 173.181 173.887 -0.706 19425 1799 1 3 . 1 1 27 27 THR CA C 27 61.919 61.919 61.886 0.033 19425 1800 1 3 . 1 1 27 27 THR CB C 27 69.696 69.696 70.671 -0.975 19425 1801 1 3 . 1 1 27 27 THR H H 27 8.110 8.110 8.260 -0.150 19425 1802 1 3 . 1 1 28 28 ILE N N 28 126.342 126.342 125.687 0.655 19425 1803 1 3 . 1 1 28 28 ILE C C 28 173.793 173.793 174.508 -0.715 19425 1804 1 3 . 1 1 28 28 ILE CA C 28 60.407 60.407 61.392 -0.984 19425 1805 1 3 . 1 1 28 28 ILE CB C 28 39.536 39.536 40.214 -0.678 19425 1806 1 3 . 1 1 28 28 ILE H H 28 8.483 8.483 8.899 -0.416 19425 1807 1 3 . 1 1 29 29 HIS N N 29 126.364 126.364 124.189 2.175 19425 1808 1 3 . 1 1 29 29 HIS C C 29 175.259 175.259 174.274 0.985 19425 1809 1 3 . 1 1 29 29 HIS CA C 29 57.174 57.174 57.023 0.151 19425 1810 1 3 . 1 1 29 29 HIS CB C 29 28.029 28.029 27.730 0.299 19425 1811 1 3 . 1 1 29 29 HIS H H 29 9.110 9.110 8.559 0.551 19425 1812 1 3 . 1 1 31 31 GLU N N 31 120.962 120.962 118.691 2.271 19425 1813 1 3 . 1 1 31 31 GLU C C 31 175.575 175.575 174.272 1.303 19425 1814 1 3 . 1 1 31 31 GLU CA C 31 55.394 55.394 55.085 0.309 19425 1815 1 3 . 1 1 31 31 GLU CB C 31 31.576 31.576 33.124 -1.548 19425 1816 1 3 . 1 1 31 31 GLU H H 31 8.047 8.047 7.665 0.382 19425 1817 1 3 . 1 1 32 32 GLN N N 32 123.171 123.171 123.515 -0.344 19425 1818 1 3 . 1 1 32 32 GLN C C 32 175.185 175.185 174.403 0.782 19425 1819 1 3 . 1 1 32 32 GLN CA C 32 54.496 54.496 54.419 0.077 19425 1820 1 3 . 1 1 32 32 GLN CB C 32 30.054 30.054 31.715 -1.661 19425 1821 1 3 . 1 1 32 32 GLN H H 32 8.646 8.646 8.628 0.018 19425 1822 1 3 . 1 1 33 33 GLN N N 33 123.530 123.530 120.565 2.965 19425 1823 1 3 . 1 1 33 33 GLN C C 33 175.667 175.667 173.475 2.192 19425 1824 1 3 . 1 1 33 33 GLN CA C 33 54.616 54.616 54.814 -0.198 19425 1825 1 3 . 1 1 33 33 GLN CB C 33 31.748 31.748 32.235 -0.487 19425 1826 1 3 . 1 1 33 33 GLN H H 33 8.839 8.839 8.816 0.023 19425 1827 1 3 . 1 1 34 34 LYS N N 34 124.601 124.601 120.767 3.834 19425 1828 1 3 . 1 1 34 34 LYS C C 34 173.812 173.812 174.879 -1.067 19425 1829 1 3 . 1 1 34 34 LYS CA C 34 55.755 55.755 55.158 0.597 19425 1830 1 3 . 1 1 34 34 LYS CB C 34 32.712 32.712 35.395 -2.683 19425 1831 1 3 . 1 1 34 34 LYS H H 34 8.589 8.589 8.490 0.099 19425 1832 1 3 . 1 1 35 35 LEU N N 35 126.071 126.071 122.431 3.640 19425 1833 1 3 . 1 1 35 35 LEU C C 35 175.445 175.445 175.949 -0.504 19425 1834 1 3 . 1 1 35 35 LEU CA C 35 53.347 53.347 52.790 0.557 19425 1835 1 3 . 1 1 35 35 LEU CB C 35 44.943 44.943 45.924 -0.981 19425 1836 1 3 . 1 1 35 35 LEU H H 35 8.794 8.794 8.434 0.360 19425 1837 1 3 . 1 1 36 36 CYS N N 36 118.373 118.373 118.723 -0.350 19425 1838 1 3 . 1 1 36 36 CYS C C 36 176.057 176.057 175.285 0.772 19425 1839 1 3 . 1 1 36 36 CYS CA C 36 57.174 57.174 55.378 1.796 19425 1840 1 3 . 1 1 36 36 CYS CB C 36 30.306 30.306 29.012 1.294 19425 1841 1 3 . 1 1 36 36 CYS H H 36 9.042 9.042 8.977 0.065 19425 1842 1 3 . 1 1 37 37 LEU N N 37 129.256 129.256 125.589 3.667 19425 1843 1 3 . 1 1 37 37 LEU C C 37 174.090 174.090 175.324 -1.234 19425 1844 1 3 . 1 1 37 37 LEU CA C 37 56.349 56.349 55.325 1.024 19425 1845 1 3 . 1 1 37 37 LEU CB C 37 42.689 42.689 41.979 0.710 19425 1846 1 3 . 1 1 37 37 LEU H H 37 8.811 8.811 8.928 -0.117 19425 1847 1 3 . 1 1 38 38 ALA N N 38 127.229 127.229 128.556 -1.327 19425 1848 1 3 . 1 1 38 38 ALA C C 38 174.517 174.517 175.160 -0.643 19425 1849 1 3 . 1 1 38 38 ALA CA C 38 50.609 50.609 49.485 1.124 19425 1850 1 3 . 1 1 38 38 ALA CB C 38 24.141 24.141 22.028 2.113 19425 1851 1 3 . 1 1 38 38 ALA H H 38 8.879 8.879 8.569 0.310 19425 1852 1 3 . 1 1 39 39 ALA N N 39 117.076 117.076 120.449 -3.373 19425 1853 1 3 . 1 1 39 39 ALA C C 39 174.665 174.665 174.751 -0.086 19425 1854 1 3 . 1 1 39 39 ALA CA C 39 51.500 51.500 51.692 -0.192 19425 1855 1 3 . 1 1 39 39 ALA CB C 39 20.996 20.996 21.707 -0.711 19425 1856 1 3 . 1 1 39 39 ALA H H 39 6.837 6.837 7.779 -0.942 19425 1857 1 3 . 1 1 40 40 GLU N N 40 119.966 119.966 118.117 1.849 19425 1858 1 3 . 1 1 40 40 GLU C C 40 176.205 176.205 176.017 0.188 19425 1859 1 3 . 1 1 40 40 GLU CA C 40 55.950 55.950 54.677 1.273 19425 1860 1 3 . 1 1 40 40 GLU CB C 40 31.836 31.836 32.642 -0.806 19425 1861 1 3 . 1 1 40 40 GLU H H 40 8.413 8.413 8.756 -0.343 19425 1862 1 3 . 1 1 41 41 GLY N N 41 108.646 108.646 107.720 0.926 19425 1863 1 3 . 1 1 41 41 GLY C C 41 176.892 176.892 173.666 3.226 19425 1864 1 3 . 1 1 41 41 GLY CA C 41 45.628 45.628 44.806 0.822 19425 1865 1 3 . 1 1 41 41 GLY H H 41 8.463 8.463 8.886 -0.423 19425 1866 1 3 . 1 1 43 43 GLY N N 43 109.557 109.557 113.302 -3.745 19425 1867 1 3 . 1 1 43 43 GLY C C 43 176.465 176.465 174.445 2.020 19425 1868 1 3 . 1 1 43 43 GLY CA C 43 45.397 45.397 45.777 -0.380 19425 1869 1 3 . 1 1 43 43 GLY H H 43 8.510 8.510 8.007 0.503 19425 1870 1 3 . 1 1 44 44 ASN N N 44 116.850 116.850 122.136 -5.286 19425 1871 1 3 . 1 1 44 44 ASN C C 44 173.830 173.830 175.342 -1.512 19425 1872 1 3 . 1 1 44 44 ASN CA C 44 54.184 54.184 52.545 1.639 19425 1873 1 3 . 1 1 44 44 ASN CB C 44 38.252 38.252 37.656 0.596 19425 1874 1 3 . 1 1 44 44 ASN H H 44 8.028 8.028 8.671 -0.643 19425 1875 1 3 . 1 1 45 45 ARG N N 45 118.226 118.226 114.534 3.692 19425 1876 1 3 . 1 1 45 45 ARG C C 45 174.072 174.072 174.755 -0.683 19425 1877 1 3 . 1 1 45 45 ARG CA C 45 56.077 56.077 57.328 -1.251 19425 1878 1 3 . 1 1 45 45 ARG CB C 45 31.231 31.231 27.134 4.097 19425 1879 1 3 . 1 1 45 45 ARG H H 45 7.759 7.759 7.552 0.207 19425 1880 1 3 . 1 1 46 46 LEU N N 46 124.643 124.643 118.817 5.826 19425 1881 1 3 . 1 1 46 46 LEU C C 46 176.447 176.447 176.924 -0.477 19425 1882 1 3 . 1 1 46 46 LEU CA C 46 54.667 54.667 54.781 -0.114 19425 1883 1 3 . 1 1 46 46 LEU CB C 46 42.605 42.605 42.866 -0.261 19425 1884 1 3 . 1 1 46 46 LEU H H 46 8.695 8.695 8.057 0.638 19425 1885 1 3 . 1 1 47 47 CYS N N 47 119.241 119.241 120.231 -0.990 19425 1886 1 3 . 1 1 47 47 CYS C C 47 176.651 176.651 174.929 1.722 19425 1887 1 3 . 1 1 47 47 CYS CA C 47 55.885 55.885 58.841 -2.956 19425 1888 1 3 . 1 1 47 47 CYS CB C 47 31.112 31.112 27.126 3.986 19425 1889 1 3 . 1 1 47 47 CYS H H 47 9.007 9.007 8.482 0.525 19425 1890 1 3 . 1 1 48 48 PHE N N 48 114.081 114.081 118.123 -4.042 19425 1891 1 3 . 1 1 48 48 PHE C C 48 170.342 170.342 173.017 -2.675 19425 1892 1 3 . 1 1 48 48 PHE CA C 48 57.405 57.405 55.899 1.506 19425 1893 1 3 . 1 1 48 48 PHE CB C 48 43.263 43.263 40.268 2.995 19425 1894 1 3 . 1 1 48 48 PHE H H 48 8.647 8.647 8.606 0.041 19425 1895 1 3 . 1 1 49 49 LEU N N 49 122.287 122.287 119.159 3.128 19425 1896 1 3 . 1 1 49 49 LEU C C 49 176.236 176.236 176.163 0.073 19425 1897 1 3 . 1 1 49 49 LEU CA C 49 53.285 53.285 53.796 -0.511 19425 1898 1 3 . 1 1 49 49 LEU CB C 49 42.907 42.907 45.498 -2.591 19425 1899 1 3 . 1 1 49 49 LEU H H 49 9.108 9.108 8.809 0.299 19425 1900 1 3 . 1 1 50 50 GLU N N 50 123.206 123.206 122.223 0.983 19425 1901 1 3 . 1 1 50 50 GLU C C 50 177.671 177.671 175.354 2.317 19425 1902 1 3 . 1 1 50 50 GLU CA C 50 57.084 57.084 54.533 2.551 19425 1903 1 3 . 1 1 50 50 GLU CB C 50 30.123 30.123 33.509 -3.386 19425 1904 1 3 . 1 1 50 50 GLU H H 50 8.834 8.834 8.739 0.095 19425 1905 1 3 . 1 1 51 51 SER N N 51 118.500 118.500 120.116 -1.616 19425 1906 1 3 . 1 1 51 51 SER C C 51 176.706 176.706 174.864 1.842 19425 1907 1 3 . 1 1 51 51 SER CA C 51 58.560 58.560 58.092 0.468 19425 1908 1 3 . 1 1 51 51 SER CB C 51 63.979 63.979 64.249 -0.270 19425 1909 1 3 . 1 1 51 51 SER H H 51 8.461 8.461 8.766 -0.305 19425 1910 1 3 . 1 1 52 52 THR N N 52 116.205 116.205 114.903 1.302 19425 1911 1 3 . 1 1 52 52 THR C C 52 174.808 174.808 173.892 0.916 19425 1912 1 3 . 1 1 52 52 THR CA C 52 61.891 61.891 59.768 2.123 19425 1913 1 3 . 1 1 52 52 THR CB C 52 70.076 70.076 71.100 -1.024 19425 1914 1 3 . 1 1 52 52 THR H H 52 8.199 8.199 8.187 0.012 19425 1915 1 3 . 1 1 65 65 CYS N N 65 117.553 117.553 119.825 -2.272 19425 1916 1 3 . 1 1 65 65 CYS C C 65 176.948 176.948 174.233 2.715 19425 1917 1 3 . 1 1 65 65 CYS CA C 65 57.900 57.900 57.323 0.577 19425 1918 1 3 . 1 1 65 65 CYS CB C 65 30.290 30.290 26.488 3.802 19425 1919 1 3 . 1 1 65 65 CYS H H 65 7.539 7.539 7.591 -0.052 19425 1920 1 3 . 1 1 66 66 THR N N 66 113.614 113.614 118.184 -4.570 19425 1921 1 3 . 1 1 66 66 THR C C 66 180.325 180.325 173.371 6.954 19425 1922 1 3 . 1 1 66 66 THR CA C 66 63.399 63.399 63.020 0.379 19425 1923 1 3 . 1 1 66 66 THR CB C 66 69.281 69.281 69.512 -0.231 19425 1924 1 3 . 1 1 66 66 THR H H 66 6.851 6.851 7.197 -0.346 19425 1925 1 3 . 1 1 67 67 PHE N N 67 126.248 126.248 125.878 0.370 19425 1926 1 3 . 1 1 67 67 PHE C C 67 174.424 174.424 174.144 0.280 19425 1927 1 3 . 1 1 67 67 PHE CA C 67 56.184 56.184 56.511 -0.327 19425 1928 1 3 . 1 1 67 67 PHE CB C 67 43.291 43.291 44.359 -1.068 19425 1929 1 3 . 1 1 67 67 PHE H H 67 9.603 9.603 9.378 0.225 19425 1930 1 3 . 1 1 68 68 VAL N N 68 121.310 121.310 119.084 2.226 19425 1931 1 3 . 1 1 68 68 VAL C C 68 173.719 173.719 175.587 -1.868 19425 1932 1 3 . 1 1 68 68 VAL CA C 68 60.935 60.935 60.675 0.260 19425 1933 1 3 . 1 1 68 68 VAL CB C 68 34.522 34.522 34.307 0.215 19425 1934 1 3 . 1 1 68 68 VAL H H 68 9.968 9.968 8.647 1.321 19425 1935 1 3 . 1 1 69 69 LEU N N 69 127.011 127.011 128.816 -1.805 19425 1936 1 3 . 1 1 69 69 LEU C C 69 177.152 177.152 177.915 -0.763 19425 1937 1 3 . 1 1 69 69 LEU CA C 69 53.083 53.083 54.624 -1.541 19425 1938 1 3 . 1 1 69 69 LEU CB C 69 39.652 39.652 39.337 0.315 19425 1939 1 3 . 1 1 69 69 LEU H H 69 8.135 8.135 8.651 -0.516 19425 1940 1 3 . 1 1 70 70 GLU N N 70 129.683 129.683 122.031 7.652 19425 1941 1 3 . 1 1 70 70 GLU C C 70 174.869 174.869 176.994 -2.125 19425 1942 1 3 . 1 1 70 70 GLU CA C 70 59.747 59.747 59.161 0.586 19425 1943 1 3 . 1 1 70 70 GLU CB C 70 31.291 31.291 29.890 1.401 19425 1944 1 3 . 1 1 70 70 GLU H H 70 8.654 8.654 8.387 0.267 19425 1945 1 3 . 1 1 71 71 GLN N N 71 110.287 110.287 117.290 -7.003 19425 1946 1 3 . 1 1 71 71 GLN C C 71 176.094 176.094 175.175 0.919 19425 1947 1 3 . 1 1 71 71 GLN CA C 71 54.030 54.030 54.695 -0.665 19425 1948 1 3 . 1 1 71 71 GLN CB C 71 33.112 33.112 32.249 0.863 19425 1949 1 3 . 1 1 71 71 GLN H H 71 7.318 7.318 7.648 -0.330 19425 1950 1 3 . 1 1 72 72 SER N N 72 116.205 116.205 116.521 -0.316 19425 1951 1 3 . 1 1 72 72 SER C C 72 174.035 174.035 173.594 0.441 19425 1952 1 3 . 1 1 72 72 SER CA C 72 58.132 58.132 58.230 -0.098 19425 1953 1 3 . 1 1 72 72 SER CB C 72 64.295 64.295 63.185 1.110 19425 1954 1 3 . 1 1 72 72 SER H H 72 8.380 8.380 8.673 -0.293 19425 1955 1 3 . 1 1 73 73 LEU N N 73 127.858 127.858 124.780 3.078 19425 1956 1 3 . 1 1 73 73 LEU C C 73 173.701 173.701 175.699 -1.998 19425 1957 1 3 . 1 1 73 73 LEU CA C 73 53.347 53.347 53.319 0.028 19425 1958 1 3 . 1 1 73 73 LEU CB C 73 45.926 45.926 44.955 0.971 19425 1959 1 3 . 1 1 73 73 LEU H H 73 9.532 9.532 8.782 0.750 19425 1960 1 3 . 1 1 74 74 SER N N 74 115.724 115.724 114.348 1.376 19425 1961 1 3 . 1 1 74 74 SER C C 74 177.541 177.541 176.060 1.481 19425 1962 1 3 . 1 1 74 74 SER CA C 74 57.905 57.905 57.693 0.212 19425 1963 1 3 . 1 1 74 74 SER CB C 74 63.901 63.901 63.406 0.495 19425 1964 1 3 . 1 1 74 74 SER H H 74 8.240 8.240 8.166 0.074 19425 1965 1 3 . 1 1 75 75 VAL N N 75 122.994 122.994 127.824 -4.830 19425 1966 1 3 . 1 1 75 75 VAL C C 75 174.610 174.610 177.357 -2.747 19425 1967 1 3 . 1 1 75 75 VAL CA C 75 67.104 67.104 66.925 0.179 19425 1968 1 3 . 1 1 75 75 VAL CB C 75 30.953 30.953 31.483 -0.530 19425 1969 1 3 . 1 1 75 75 VAL H H 75 9.056 9.056 8.861 0.195 19425 1970 1 3 . 1 1 76 76 ARG N N 76 119.193 119.193 120.457 -1.264 19425 1971 1 3 . 1 1 76 76 ARG C C 76 178.228 178.228 178.107 0.121 19425 1972 1 3 . 1 1 76 76 ARG CA C 76 59.087 59.087 59.945 -0.858 19425 1973 1 3 . 1 1 76 76 ARG CB C 76 29.280 29.280 29.675 -0.395 19425 1974 1 3 . 1 1 76 76 ARG H H 76 8.137 8.137 7.694 0.443 19425 1975 1 3 . 1 1 77 77 ALA N N 77 122.977 122.977 120.383 2.594 19425 1976 1 3 . 1 1 77 77 ALA C C 77 178.506 178.506 179.990 -1.484 19425 1977 1 3 . 1 1 77 77 ALA CA C 77 54.926 54.926 54.803 0.123 19425 1978 1 3 . 1 1 77 77 ALA CB C 77 18.231 18.231 18.117 0.114 19425 1979 1 3 . 1 1 77 77 ALA H H 77 7.699 7.699 8.144 -0.445 19425 1980 1 3 . 1 1 78 78 LEU N N 78 121.115 121.115 120.039 1.076 19425 1981 1 3 . 1 1 78 78 LEU C C 78 180.640 180.640 178.432 2.208 19425 1982 1 3 . 1 1 78 78 LEU CA C 78 57.985 57.985 57.432 0.553 19425 1983 1 3 . 1 1 78 78 LEU CB C 78 40.522 40.522 41.282 -0.760 19425 1984 1 3 . 1 1 78 78 LEU H H 78 8.303 8.303 8.202 0.101 19425 1985 1 3 . 1 1 79 79 GLN N N 79 116.873 116.873 117.287 -0.414 19425 1986 1 3 . 1 1 79 79 GLN C C 79 177.875 177.875 178.476 -0.601 19425 1987 1 3 . 1 1 79 79 GLN CA C 79 59.069 59.069 59.069 0.000 19425 1988 1 3 . 1 1 79 79 GLN CB C 79 27.254 27.254 28.356 -1.102 19425 1989 1 3 . 1 1 79 79 GLN H H 79 8.390 8.390 8.255 0.135 19425 1990 1 3 . 1 1 80 80 GLU N N 80 120.455 120.455 120.905 -0.450 19425 1991 1 3 . 1 1 80 80 GLU C C 80 179.749 179.749 178.858 0.891 19425 1992 1 3 . 1 1 80 80 GLU CA C 80 59.413 59.413 59.276 0.137 19425 1993 1 3 . 1 1 80 80 GLU CB C 80 29.142 29.142 29.493 -0.351 19425 1994 1 3 . 1 1 80 80 GLU H H 80 7.942 7.942 8.021 -0.079 19425 1995 1 3 . 1 1 81 81 MET N N 81 120.541 120.541 118.289 2.252 19425 1996 1 3 . 1 1 81 81 MET C C 81 178.599 178.599 178.953 -0.354 19425 1997 1 3 . 1 1 81 81 MET CA C 81 59.665 59.665 59.324 0.341 19425 1998 1 3 . 1 1 81 81 MET CB C 81 32.534 32.534 32.848 -0.314 19425 1999 1 3 . 1 1 81 81 MET H H 81 7.870 7.870 8.049 -0.179 19425 2000 1 3 . 1 1 82 82 LEU N N 82 119.662 119.662 118.385 1.277 19425 2001 1 3 . 1 1 82 82 LEU C C 82 179.638 179.638 178.871 0.767 19425 2002 1 3 . 1 1 82 82 LEU CA C 82 57.669 57.669 57.053 0.616 19425 2003 1 3 . 1 1 82 82 LEU CB C 82 40.783 40.783 41.639 -0.856 19425 2004 1 3 . 1 1 82 82 LEU H H 82 8.488 8.488 7.903 0.585 19425 2005 1 3 . 1 1 83 83 ALA N N 83 120.827 120.827 120.626 0.201 19425 2006 1 3 . 1 1 83 83 ALA C C 83 179.323 179.323 179.769 -0.446 19425 2007 1 3 . 1 1 83 83 ALA CA C 83 54.073 54.073 54.545 -0.472 19425 2008 1 3 . 1 1 83 83 ALA CB C 83 18.326 18.326 18.497 -0.171 19425 2009 1 3 . 1 1 83 83 ALA H H 83 7.704 7.704 8.009 -0.305 19425 2010 1 3 . 1 1 84 84 ASN N N 84 115.853 115.853 116.040 -0.187 19425 2011 1 3 . 1 1 84 84 ASN C C 84 178.944 178.944 177.282 1.662 19425 2012 1 3 . 1 1 84 84 ASN CA C 84 54.167 54.167 55.451 -1.284 19425 2013 1 3 . 1 1 84 84 ASN CB C 84 39.465 39.465 38.745 0.720 19425 2014 1 3 . 1 1 84 84 ASN H H 84 7.729 7.729 7.989 -0.260 19425 2015 1 3 . 1 1 85 85 THR N N 85 112.611 112.611 109.320 3.291 19425 2016 1 3 . 1 1 85 85 THR C C 85 175.569 175.569 175.634 -0.065 19425 2017 1 3 . 1 1 85 85 THR CA C 85 63.086 63.086 63.507 -0.421 19425 2018 1 3 . 1 1 85 85 THR CB C 85 70.071 70.071 68.723 1.348 19425 2019 1 3 . 1 1 85 85 THR H H 85 7.698 7.698 7.292 0.406 19425 2020 1 3 . 1 1 86 86 VAL N N 86 121.812 121.812 119.754 2.058 19425 2021 1 3 . 1 1 86 86 VAL C C 86 174.573 174.573 176.146 -1.573 19425 2022 1 3 . 1 1 86 86 VAL CA C 86 62.811 62.811 63.835 -1.024 19425 2023 1 3 . 1 1 86 86 VAL CB C 86 32.730 32.730 32.032 0.698 19425 2024 1 3 . 1 1 86 86 VAL H H 86 7.874 7.874 7.541 0.333 19425 2025 1 3 . 1 1 87 87 GLU N N 87 124.330 124.330 119.474 4.856 19425 2026 1 3 . 1 1 87 87 GLU C C 87 176.280 176.280 175.186 1.094 19425 2027 1 3 . 1 1 87 87 GLU CA C 87 56.877 56.877 54.181 2.696 19425 2028 1 3 . 1 1 87 87 GLU CB C 87 29.852 29.852 30.911 -1.059 19425 2029 1 3 . 1 1 87 87 GLU H H 87 8.403 8.403 7.521 0.882 19425 2030 1 3 . 1 1 88 88 LYS N N 88 122.065 122.065 121.203 0.862 19425 2031 1 3 . 1 1 88 88 LYS C C 88 176.966 176.966 175.843 1.123 19425 2032 1 3 . 1 1 88 88 LYS CA C 88 56.799 56.799 57.354 -0.555 19425 2033 1 3 . 1 1 88 88 LYS CB C 88 32.597 32.597 32.144 0.453 19425 2034 1 3 . 1 1 88 88 LYS H H 88 8.330 8.330 8.396 -0.066 19425 2035 1 3 . 1 1 89 89 SER N N 89 116.192 116.192 118.751 -2.559 19425 2036 1 3 . 1 1 89 89 SER C C 89 176.865 176.865 173.377 3.488 19425 2037 1 3 . 1 1 89 89 SER CA C 89 59.008 59.008 57.941 1.067 19425 2038 1 3 . 1 1 89 89 SER CB C 89 63.765 63.765 64.958 -1.193 19425 2039 1 3 . 1 1 89 89 SER H H 89 8.247 8.247 8.284 -0.037 19425 2040 1 3 . 1 1 90 90 GLU N N 90 122.006 122.006 122.815 -0.809 19425 2041 1 3 . 1 1 90 90 GLU C C 90 174.702 174.702 175.360 -0.658 19425 2042 1 3 . 1 1 90 90 GLU CA C 90 57.231 57.231 57.481 -0.250 19425 2043 1 3 . 1 1 90 90 GLU CB C 90 29.442 29.442 30.384 -0.942 19425 2044 1 3 . 1 1 90 90 GLU H H 90 8.560 8.560 8.368 0.192 19425 2045 1 3 . 1 1 91 91 GLY N N 91 110.052 110.052 115.086 -5.034 19425 2046 1 3 . 1 1 91 91 GLY C C 91 177.170 177.170 173.905 3.265 19425 2047 1 3 . 1 1 91 91 GLY CA C 91 45.634 45.634 44.965 0.669 19425 2048 1 3 . 1 1 91 91 GLY H H 91 8.358 8.358 8.592 -0.234 19425 2049 1 3 . 1 1 92 92 GLN N N 92 120.053 120.053 118.872 1.181 19425 2050 1 3 . 1 1 92 92 GLN C C 92 173.905 173.905 175.823 -1.918 19425 2051 1 3 . 1 1 92 92 GLN CA C 92 55.261 55.261 56.976 -1.715 19425 2052 1 3 . 1 1 92 92 GLN CB C 92 29.573 29.573 29.196 0.377 19425 2053 1 3 . 1 1 92 92 GLN H H 92 8.075 8.075 8.465 -0.390 19425 2054 1 3 . 1 1 93 93 VAL N N 93 123.434 123.434 115.411 8.023 19425 2055 1 3 . 1 1 93 93 VAL C C 93 175.667 175.667 175.226 0.441 19425 2056 1 3 . 1 1 93 93 VAL CA C 93 62.914 62.914 60.072 2.842 19425 2057 1 3 . 1 1 93 93 VAL CB C 93 32.629 32.629 32.371 0.258 19425 2058 1 3 . 1 1 93 93 VAL H H 93 8.370 8.370 7.508 0.862 19425 2059 1 3 . 1 1 94 94 ASP N N 94 125.761 125.761 119.488 6.273 19425 2060 1 3 . 1 1 94 94 ASP C C 94 175.704 175.704 176.439 -0.735 19425 2061 1 3 . 1 1 94 94 ASP CA C 94 53.743 53.743 54.588 -0.845 19425 2062 1 3 . 1 1 94 94 ASP CB C 94 40.771 40.771 39.390 1.381 19425 2063 1 3 . 1 1 94 94 ASP H H 94 8.550 8.550 8.469 0.081 19425 2064 1 3 . 1 1 95 95 VAL N N 95 125.064 125.064 117.124 7.940 19425 2065 1 3 . 1 1 95 95 VAL C C 95 176.465 176.465 176.630 -0.165 19425 2066 1 3 . 1 1 95 95 VAL CA C 95 65.487 65.487 63.047 2.441 19425 2067 1 3 . 1 1 95 95 VAL CB C 95 31.773 31.773 31.906 -0.133 19425 2068 1 3 . 1 1 95 95 VAL H H 95 8.300 8.300 7.889 0.411 19425 2069 1 3 . 1 1 96 96 GLU N N 96 120.880 120.880 122.277 -1.397 19425 2070 1 3 . 1 1 96 96 GLU C C 96 177.523 177.523 177.739 -0.216 19425 2071 1 3 . 1 1 96 96 GLU CA C 96 59.157 59.157 58.844 0.313 19425 2072 1 3 . 1 1 96 96 GLU CB C 96 28.575 28.575 29.598 -1.023 19425 2073 1 3 . 1 1 96 96 GLU H H 96 8.297 8.297 8.559 -0.262 19425 2074 1 3 . 1 1 97 97 LYS N N 97 121.943 121.943 118.754 3.189 19425 2075 1 3 . 1 1 97 97 LYS C C 97 179.434 179.434 178.660 0.774 19425 2076 1 3 . 1 1 97 97 LYS CA C 97 59.186 59.186 57.837 1.349 19425 2077 1 3 . 1 1 97 97 LYS CB C 97 32.036 32.036 32.681 -0.645 19425 2078 1 3 . 1 1 97 97 LYS H H 97 7.979 7.979 8.081 -0.102 19425 2079 1 3 . 1 1 98 98 TRP N N 98 121.420 121.420 122.581 -1.161 19425 2080 1 3 . 1 1 98 98 TRP C C 98 178.673 178.673 177.652 1.021 19425 2081 1 3 . 1 1 98 98 TRP CA C 98 60.176 60.176 60.208 -0.032 19425 2082 1 3 . 1 1 98 98 TRP CB C 98 29.340 29.340 29.399 -0.059 19425 2083 1 3 . 1 1 98 98 TRP H H 98 8.202 8.202 8.444 -0.242 19425 2084 1 3 . 1 1 99 99 LYS N N 99 118.236 118.236 119.507 -1.271 19425 2085 1 3 . 1 1 99 99 LYS C C 99 177.374 177.374 178.391 -1.017 19425 2086 1 3 . 1 1 99 99 LYS CA C 99 59.812 59.812 59.174 0.638 19425 2087 1 3 . 1 1 99 99 LYS CB C 99 32.042 32.042 31.477 0.565 19425 2088 1 3 . 1 1 99 99 LYS H H 99 8.346 8.346 8.440 -0.094 19425 2089 1 3 . 1 1 100 100 PHE N N 100 120.365 120.365 120.310 0.055 19425 2090 1 3 . 1 1 100 100 PHE C C 100 179.193 179.193 177.194 1.999 19425 2091 1 3 . 1 1 100 100 PHE CA C 100 60.902 60.902 61.427 -0.525 19425 2092 1 3 . 1 1 100 100 PHE CB C 100 38.875 38.875 39.391 -0.516 19425 2093 1 3 . 1 1 100 100 PHE H H 100 7.916 7.916 7.663 0.253 19425 2094 1 3 . 1 1 101 101 MET N N 101 121.837 121.837 119.840 1.997 19425 2095 1 3 . 1 1 101 101 MET C C 101 178.172 178.172 177.831 0.341 19425 2096 1 3 . 1 1 101 101 MET CA C 101 58.625 58.625 58.050 0.575 19425 2097 1 3 . 1 1 101 101 MET CB C 101 32.081 32.081 31.947 0.134 19425 2098 1 3 . 1 1 101 101 MET H H 101 8.393 8.393 8.262 0.131 19425 2099 1 3 . 1 1 102 102 MET N N 102 119.901 119.901 118.315 1.586 19425 2100 1 3 . 1 1 102 102 MET C C 102 178.655 178.655 177.549 1.106 19425 2101 1 3 . 1 1 102 102 MET CA C 102 57.867 57.867 57.066 0.801 19425 2102 1 3 . 1 1 102 102 MET CB C 102 32.414 32.414 31.256 1.158 19425 2103 1 3 . 1 1 102 102 MET H H 102 8.174 8.174 7.962 0.212 19425 2104 1 3 . 1 1 103 103 LYS N N 103 120.555 120.555 119.346 1.209 19425 2105 1 3 . 1 1 103 103 LYS C C 103 177.857 177.857 178.642 -0.785 19425 2106 1 3 . 1 1 103 103 LYS CA C 103 58.592 58.592 59.896 -1.304 19425 2107 1 3 . 1 1 103 103 LYS CB C 103 31.816 31.816 32.116 -0.300 19425 2108 1 3 . 1 1 103 103 LYS H H 103 7.899 7.899 7.809 0.090 19425 2109 1 3 . 1 1 104 104 THR N N 104 115.450 115.450 116.061 -0.611 19425 2110 1 3 . 1 1 104 104 THR C C 104 179.267 179.267 176.176 3.091 19425 2111 1 3 . 1 1 104 104 THR CA C 104 64.914 64.914 66.970 -2.056 19425 2112 1 3 . 1 1 104 104 THR CB C 104 69.103 69.103 68.421 0.682 19425 2113 1 3 . 1 1 104 104 THR H H 104 7.895 7.895 7.944 -0.049 19425 2114 1 3 . 1 1 105 105 ALA N N 105 124.862 124.862 122.781 2.081 19425 2115 1 3 . 1 1 105 105 ALA C C 105 176.057 176.057 179.330 -3.273 19425 2116 1 3 . 1 1 105 105 ALA CA C 105 54.106 54.106 54.660 -0.554 19425 2117 1 3 . 1 1 105 105 ALA CB C 105 18.493 18.493 18.071 0.422 19425 2118 1 3 . 1 1 105 105 ALA H H 105 7.896 7.896 7.692 0.204 19425 2119 1 3 . 1 1 106 106 GLN N N 106 117.285 117.285 118.155 -0.870 19425 2120 1 3 . 1 1 106 106 GLN C C 106 178.655 178.655 178.279 0.376 19425 2121 1 3 . 1 1 106 106 GLN CA C 106 56.913 56.913 57.738 -0.825 19425 2122 1 3 . 1 1 106 106 GLN CB C 106 29.148 29.148 28.907 0.241 19425 2123 1 3 . 1 1 106 106 GLN H H 106 7.944 7.944 7.835 0.109 19425 2124 1 3 . 1 1 107 107 GLY N N 107 107.494 107.494 106.592 0.902 19425 2125 1 3 . 1 1 107 107 GLY C C 107 177.597 177.597 175.700 1.897 19425 2126 1 3 . 1 1 107 107 GLY CA C 107 45.975 45.975 45.920 0.055 19425 2127 1 3 . 1 1 107 107 GLY H H 107 7.852 7.852 7.974 -0.122 19425 2128 1 3 . 1 1 108 108 GLY N N 108 109.642 109.642 109.236 0.406 19425 2129 1 3 . 1 1 108 108 GLY C C 108 174.740 174.740 175.748 -1.008 19425 2130 1 3 . 1 1 108 108 GLY CA C 108 45.151 45.151 45.955 -0.804 19425 2131 1 3 . 1 1 108 108 GLY H H 108 8.313 8.313 8.026 0.287 19425 2132 1 3 . 1 1 109 109 GLY N N 109 108.058 108.058 108.305 -0.247 19425 2133 1 3 . 1 1 109 109 GLY C C 109 174.313 174.313 174.754 -0.441 19425 2134 1 3 . 1 1 109 109 GLY CA C 109 44.659 44.659 46.321 -1.661 19425 2135 1 3 . 1 1 109 109 GLY H H 109 8.059 8.059 8.501 -0.442 19425 2136 1 3 . 1 1 110 110 HIS N N 110 118.432 118.432 121.309 -2.877 19425 2137 1 3 . 1 1 110 110 HIS C C 110 173.348 173.348 174.785 -1.437 19425 2138 1 3 . 1 1 110 110 HIS CA C 110 55.590 55.590 57.415 -1.825 19425 2139 1 3 . 1 1 110 110 HIS CB C 110 28.502 28.502 31.961 -3.459 19425 2140 1 3 . 1 1 110 110 HIS H H 110 8.261 8.261 7.967 0.294 19425 2141 1 3 . 1 1 111 111 ARG N N 111 122.052 122.052 117.108 4.944 19425 2142 1 3 . 1 1 111 111 ARG C C 111 174.908 174.908 174.030 0.878 19425 2143 1 3 . 1 1 111 111 ARG CA C 111 55.233 55.233 54.699 0.534 19425 2144 1 3 . 1 1 111 111 ARG CB C 111 31.125 31.125 32.447 -1.322 19425 2145 1 3 . 1 1 111 111 ARG H H 111 8.597 8.597 8.092 0.505 19425 2146 1 3 . 1 1 112 112 THR N N 112 120.248 120.248 117.768 2.480 19425 2147 1 3 . 1 1 112 112 THR C C 112 176.447 176.447 174.414 2.033 19425 2148 1 3 . 1 1 112 112 THR CA C 112 63.723 63.723 63.125 0.598 19425 2149 1 3 . 1 1 112 112 THR CB C 112 68.984 68.984 69.255 -0.271 19425 2150 1 3 . 1 1 112 112 THR H H 112 8.577 8.577 8.387 0.190 19425 2151 1 3 . 1 1 113 113 LEU N N 113 130.382 130.382 126.188 4.194 19425 2152 1 3 . 1 1 113 113 LEU C C 113 174.294 174.294 175.404 -1.110 19425 2153 1 3 . 1 1 113 113 LEU CA C 113 56.791 56.791 54.900 1.891 19425 2154 1 3 . 1 1 113 113 LEU CB C 113 41.705 41.705 42.644 -0.939 19425 2155 1 3 . 1 1 113 113 LEU H H 113 8.515 8.515 8.826 -0.311 19425 2156 1 3 . 1 1 114 114 LEU N N 114 118.829 118.829 122.411 -3.582 19425 2157 1 3 . 1 1 114 114 LEU C C 114 175.278 175.278 176.669 -1.391 19425 2158 1 3 . 1 1 114 114 LEU CA C 114 51.667 51.667 52.584 -0.917 19425 2159 1 3 . 1 1 114 114 LEU CB C 114 42.454 42.454 44.095 -1.641 19425 2160 1 3 . 1 1 114 114 LEU H H 114 6.454 6.454 8.168 -1.714 19425 2161 1 3 . 1 1 115 115 TYR N N 115 119.059 119.059 121.461 -2.402 19425 2162 1 3 . 1 1 115 115 TYR C C 115 177.152 177.152 177.307 -0.155 19425 2163 1 3 . 1 1 115 115 TYR CA C 115 62.452 62.452 60.733 1.719 19425 2164 1 3 . 1 1 115 115 TYR CB C 115 38.058 38.058 37.961 0.097 19425 2165 1 3 . 1 1 115 115 TYR H H 115 8.797 8.797 8.744 0.053 19425 2166 1 3 . 1 1 116 116 GLY N N 116 115.795 115.795 113.298 2.497 19425 2167 1 3 . 1 1 116 116 GLY C C 116 178.061 178.061 173.978 4.083 19425 2168 1 3 . 1 1 116 116 GLY CA C 116 45.100 45.100 45.107 -0.007 19425 2169 1 3 . 1 1 116 116 GLY H H 116 9.672 9.672 9.126 0.546 19425 2170 1 3 . 1 1 117 117 HIS N N 117 122.193 122.193 121.642 0.551 19425 2171 1 3 . 1 1 117 117 HIS C C 117 175.463 175.463 173.817 1.646 19425 2172 1 3 . 1 1 117 117 HIS CA C 117 56.119 56.119 55.796 0.323 19425 2173 1 3 . 1 1 117 117 HIS CB C 117 32.293 32.293 30.344 1.949 19425 2174 1 3 . 1 1 117 117 HIS H H 117 8.113 8.113 7.859 0.254 19425 2175 1 3 . 1 1 118 118 ALA N N 118 120.893 120.893 126.600 -5.707 19425 2176 1 3 . 1 1 118 118 ALA C C 118 173.775 173.775 176.105 -2.330 19425 2177 1 3 . 1 1 118 118 ALA CA C 118 50.378 50.378 51.418 -1.040 19425 2178 1 3 . 1 1 118 118 ALA CB C 118 21.646 21.646 19.681 1.965 19425 2179 1 3 . 1 1 118 118 ALA H H 118 9.458 9.458 8.952 0.506 19425 2180 1 3 . 1 1 120 120 LEU N N 120 119.631 119.631 124.024 -4.393 19425 2181 1 3 . 1 1 120 120 LEU C C 120 173.367 173.367 174.744 -1.377 19425 2182 1 3 . 1 1 120 120 LEU CA C 120 56.217 56.217 52.889 3.328 19425 2183 1 3 . 1 1 120 120 LEU CB C 120 39.519 39.519 44.092 -4.573 19425 2184 1 3 . 1 1 120 120 LEU H H 120 8.746 8.746 8.258 0.488 19425 2185 1 3 . 1 1 121 121 LEU N N 121 118.900 118.900 126.968 -8.068 19425 2186 1 3 . 1 1 121 121 LEU C C 121 171.400 171.400 175.759 -4.359 19425 2187 1 3 . 1 1 121 121 LEU CA C 121 52.852 52.852 53.703 -0.851 19425 2188 1 3 . 1 1 121 121 LEU CB C 121 43.452 43.452 42.850 0.602 19425 2189 1 3 . 1 1 121 121 LEU H H 121 8.590 8.590 8.659 -0.069 19425 2190 1 3 . 1 1 122 122 ARG N N 122 123.588 123.588 124.920 -1.332 19425 2191 1 3 . 1 1 122 122 ARG C C 122 176.465 176.465 175.487 0.978 19425 2192 1 3 . 1 1 122 122 ARG CA C 122 54.403 54.403 53.972 0.431 19425 2193 1 3 . 1 1 122 122 ARG CB C 122 32.897 32.897 31.648 1.250 19425 2194 1 3 . 1 1 122 122 ARG H H 122 9.077 9.077 8.781 0.296 19425 2195 1 3 . 1 1 123 123 HIS N N 123 131.440 131.440 127.563 3.877 19425 2196 1 3 . 1 1 123 123 HIS C C 123 175.704 175.704 175.371 0.333 19425 2197 1 3 . 1 1 123 123 HIS CA C 123 56.637 56.637 56.754 -0.117 19425 2198 1 3 . 1 1 123 123 HIS CB C 123 31.261 31.261 29.856 1.405 19425 2199 1 3 . 1 1 123 123 HIS H H 123 9.622 9.622 8.463 1.159 19425 2200 1 3 . 1 1 124 124 SER N N 124 127.024 127.024 123.574 3.450 19425 2201 1 3 . 1 1 124 124 SER C C 124 175.686 175.686 175.674 0.012 19425 2202 1 3 . 1 1 124 124 SER CA C 124 62.010 62.010 61.323 0.687 19425 2203 1 3 . 1 1 124 124 SER CB C 124 62.912 62.912 62.993 -0.081 19425 2204 1 3 . 1 1 124 124 SER H H 124 7.840 7.840 7.807 0.033 19425 2205 1 3 . 1 1 125 125 TYR N N 125 119.708 119.708 120.407 -0.699 19425 2206 1 3 . 1 1 125 125 TYR C C 125 180.696 180.696 176.901 3.795 19425 2207 1 3 . 1 1 125 125 TYR CA C 125 60.903 60.903 60.596 0.307 19425 2208 1 3 . 1 1 125 125 TYR CB C 125 38.744 38.744 38.516 0.228 19425 2209 1 3 . 1 1 125 125 TYR H H 125 8.746 8.746 7.478 1.268 19425 2210 1 3 . 1 1 126 126 SER N N 126 110.333 110.333 114.007 -3.674 19425 2211 1 3 . 1 1 126 126 SER C C 126 176.543 176.543 176.141 0.402 19425 2212 1 3 . 1 1 126 126 SER CA C 126 59.366 59.366 58.877 0.489 19425 2213 1 3 . 1 1 126 126 SER CB C 126 65.282 65.282 64.471 0.811 19425 2214 1 3 . 1 1 126 126 SER H H 126 7.004 7.004 8.157 -1.153 19425 2215 1 3 . 1 1 127 127 GLY N N 127 113.322 113.322 110.874 2.448 19425 2216 1 3 . 1 1 127 127 GLY C C 127 176.428 176.428 174.274 2.154 19425 2217 1 3 . 1 1 127 127 GLY CA C 127 46.064 46.064 45.565 0.499 19425 2218 1 3 . 1 1 127 127 GLY H H 127 8.181 8.181 8.374 -0.193 19425 2219 1 3 . 1 1 128 128 MET N N 128 118.598 118.598 119.087 -0.489 19425 2220 1 3 . 1 1 128 128 MET C C 128 173.200 173.200 175.146 -1.946 19425 2221 1 3 . 1 1 128 128 MET CA C 128 55.429 55.429 56.411 -0.982 19425 2222 1 3 . 1 1 128 128 MET CB C 128 35.988 35.988 34.255 1.733 19425 2223 1 3 . 1 1 128 128 MET H H 128 7.551 7.551 7.432 0.119 19425 2224 1 3 . 1 1 129 129 TYR N N 129 116.715 116.715 114.505 2.210 19425 2225 1 3 . 1 1 129 129 TYR C C 129 172.884 172.884 175.810 -2.926 19425 2226 1 3 . 1 1 129 129 TYR CA C 129 58.658 58.658 57.189 1.469 19425 2227 1 3 . 1 1 129 129 TYR CB C 129 40.914 40.914 41.315 -0.401 19425 2228 1 3 . 1 1 129 129 TYR H H 129 8.923 8.923 8.441 0.482 19425 2229 1 3 . 1 1 130 130 LEU N N 130 123.061 123.061 124.951 -1.890 19425 2230 1 3 . 1 1 130 130 LEU C C 130 176.677 176.677 176.493 0.184 19425 2231 1 3 . 1 1 130 130 LEU CA C 130 56.311 56.311 56.255 0.056 19425 2232 1 3 . 1 1 130 130 LEU CB C 130 42.909 42.909 42.367 0.542 19425 2233 1 3 . 1 1 130 130 LEU H H 130 8.236 8.236 8.945 -0.709 19425 2234 1 3 . 1 1 131 131 CYS N N 131 126.618 126.618 127.501 -0.883 19425 2235 1 3 . 1 1 131 131 CYS C C 131 177.616 177.616 173.133 4.483 19425 2236 1 3 . 1 1 131 131 CYS CA C 131 57.028 57.028 57.231 -0.203 19425 2237 1 3 . 1 1 131 131 CYS CB C 131 32.339 32.339 30.573 1.766 19425 2238 1 3 . 1 1 131 131 CYS H H 131 9.516 9.516 9.456 0.060 19425 2239 1 3 . 1 1 132 132 CYS N N 132 124.860 124.860 127.142 -2.282 19425 2240 1 3 . 1 1 132 132 CYS C C 132 172.309 172.309 174.546 -2.237 19425 2241 1 3 . 1 1 132 132 CYS CA C 132 59.436 59.436 57.435 2.001 19425 2242 1 3 . 1 1 132 132 CYS CB C 132 27.383 27.383 25.723 1.660 19425 2243 1 3 . 1 1 132 132 CYS H H 132 8.142 8.142 8.296 -0.154 19425 2244 1 3 . 1 1 133 133 LEU N N 133 131.382 131.382 127.424 3.958 19425 2245 1 3 . 1 1 133 133 LEU C C 133 174.035 174.035 177.424 -3.389 19425 2246 1 3 . 1 1 133 133 LEU CA C 133 54.799 54.799 54.985 -0.186 19425 2247 1 3 . 1 1 133 133 LEU CB C 133 41.109 41.109 42.625 -1.516 19425 2248 1 3 . 1 1 133 133 LEU H H 133 9.008 9.008 8.172 0.836 19425 2249 1 3 . 1 1 134 134 SER N N 134 112.103 112.103 112.996 -0.893 19425 2250 1 3 . 1 1 134 134 SER C C 134 175.519 175.519 174.692 0.827 19425 2251 1 3 . 1 1 134 134 SER CA C 134 58.320 58.320 58.344 -0.024 19425 2252 1 3 . 1 1 134 134 SER CB C 134 63.979 63.979 62.738 1.241 19425 2253 1 3 . 1 1 134 134 SER H H 134 8.229 8.229 8.441 -0.212 19425 2254 1 3 . 1 1 135 135 THR N N 135 111.693 111.693 110.798 0.895 19425 2255 1 3 . 1 1 135 135 THR C C 135 174.535 174.535 175.084 -0.549 19425 2256 1 3 . 1 1 135 135 THR CA C 135 60.703 60.703 59.605 1.099 19425 2257 1 3 . 1 1 135 135 THR CB C 135 70.624 70.624 70.691 -0.067 19425 2258 1 3 . 1 1 135 135 THR H H 135 7.292 7.292 7.411 -0.119 19425 2259 1 3 . 1 1 136 136 SER N N 136 117.260 117.260 120.956 -3.696 19425 2260 1 3 . 1 1 136 136 SER C C 136 173.478 173.478 174.760 -1.282 19425 2261 1 3 . 1 1 136 136 SER CA C 136 57.537 57.537 61.606 -4.069 19425 2262 1 3 . 1 1 136 136 SER CB C 136 64.593 64.593 63.530 1.063 19425 2263 1 3 . 1 1 136 136 SER H H 136 8.544 8.544 9.050 -0.506 19425 2264 1 3 . 1 1 137 137 ARG N N 137 124.804 124.804 115.851 8.953 19425 2265 1 3 . 1 1 137 137 ARG C C 137 175.000 175.000 174.421 0.579 19425 2266 1 3 . 1 1 137 137 ARG CA C 137 56.922 56.922 56.748 0.174 19425 2267 1 3 . 1 1 137 137 ARG CB C 137 30.733 30.733 31.291 -0.558 19425 2268 1 3 . 1 1 137 137 ARG H H 137 9.231 9.231 7.970 1.261 19425 2269 1 3 . 1 1 138 138 SER N N 138 126.225 126.225 115.144 11.081 19425 2270 1 3 . 1 1 138 138 SER C C 138 175.871 175.871 173.710 2.161 19425 2271 1 3 . 1 1 138 138 SER CA C 138 61.891 61.891 58.063 3.828 19425 2272 1 3 . 1 1 138 138 SER CB C 138 62.730 62.730 63.962 -1.232 19425 2273 1 3 . 1 1 138 138 SER H H 138 7.891 7.891 7.804 0.087 19425 2274 1 3 . 1 1 140 140 THR N N 140 114.799 114.799 111.823 2.976 19425 2275 1 3 . 1 1 140 140 THR C C 140 173.756 173.756 173.206 0.550 19425 2276 1 3 . 1 1 140 140 THR CA C 140 62.895 62.895 63.781 -0.886 19425 2277 1 3 . 1 1 140 140 THR CB C 140 69.332 69.332 69.256 0.076 19425 2278 1 3 . 1 1 140 140 THR H H 140 8.168 8.168 7.996 0.172 19425 2279 1 3 . 1 1 141 141 ASP N N 141 121.772 121.772 124.835 -3.063 19425 2280 1 3 . 1 1 141 141 ASP C C 141 174.795 174.795 175.476 -0.681 19425 2281 1 3 . 1 1 141 141 ASP CA C 141 54.001 54.001 54.509 -0.508 19425 2282 1 3 . 1 1 141 141 ASP CB C 141 40.914 40.914 42.657 -1.743 19425 2283 1 3 . 1 1 141 141 ASP H H 141 8.049 8.049 8.587 -0.538 19425 2284 1 3 . 1 1 142 142 LYS N N 142 121.585 121.585 117.887 3.698 19425 2285 1 3 . 1 1 142 142 LYS C C 142 176.274 176.274 175.057 1.217 19425 2286 1 3 . 1 1 142 142 LYS CA C 142 57.106 57.106 55.814 1.292 19425 2287 1 3 . 1 1 142 142 LYS CB C 142 31.369 31.369 33.846 -2.477 19425 2288 1 3 . 1 1 142 142 LYS H H 142 8.376 8.376 7.772 0.604 19425 2289 1 3 . 1 1 143 143 LEU N N 143 119.604 119.604 117.991 1.613 19425 2290 1 3 . 1 1 143 143 LEU C C 143 176.798 176.798 175.801 0.997 19425 2291 1 3 . 1 1 143 143 LEU CA C 143 55.261 55.261 56.766 -1.505 19425 2292 1 3 . 1 1 143 143 LEU CB C 143 41.487 41.487 40.740 0.747 19425 2293 1 3 . 1 1 143 143 LEU H H 143 8.262 8.262 8.438 -0.176 19425 2294 1 3 . 1 1 144 144 ALA N N 144 123.881 123.881 120.772 3.109 19425 2295 1 3 . 1 1 144 144 ALA C C 144 176.410 176.410 177.017 -0.607 19425 2296 1 3 . 1 1 144 144 ALA CA C 144 51.335 51.335 51.076 0.259 19425 2297 1 3 . 1 1 144 144 ALA CB C 144 20.924 20.924 20.095 0.829 19425 2298 1 3 . 1 1 144 144 ALA H H 144 7.614 7.614 7.829 -0.215 19425 2299 1 3 . 1 1 145 145 PHE N N 145 120.083 120.083 119.179 0.904 19425 2300 1 3 . 1 1 145 145 PHE C C 145 176.948 176.948 175.519 1.429 19425 2301 1 3 . 1 1 145 145 PHE CA C 145 55.872 55.872 56.709 -0.837 19425 2302 1 3 . 1 1 145 145 PHE CB C 145 42.468 42.468 41.263 1.205 19425 2303 1 3 . 1 1 145 145 PHE H H 145 8.647 8.647 8.694 -0.047 19425 2304 1 3 . 1 1 146 146 ASP N N 146 119.893 119.893 120.324 -0.431 19425 2305 1 3 . 1 1 146 146 ASP C C 146 175.519 175.519 174.447 1.072 19425 2306 1 3 . 1 1 146 146 ASP CA C 146 54.679 54.679 54.727 -0.048 19425 2307 1 3 . 1 1 146 146 ASP CB C 146 42.169 42.169 42.888 -0.719 19425 2308 1 3 . 1 1 146 146 ASP H H 146 8.692 8.692 8.976 -0.284 19425 2309 1 3 . 1 1 147 147 VAL N N 147 118.800 118.800 122.083 -3.283 19425 2310 1 3 . 1 1 147 147 VAL C C 147 174.053 174.053 175.581 -1.528 19425 2311 1 3 . 1 1 147 147 VAL CA C 147 60.671 60.671 61.396 -0.725 19425 2312 1 3 . 1 1 147 147 VAL CB C 147 35.326 35.326 32.927 2.399 19425 2313 1 3 . 1 1 147 147 VAL H H 147 8.224 8.224 8.466 -0.242 19425 2314 1 3 . 1 1 148 148 GLY N N 148 113.226 113.226 114.756 -1.530 19425 2315 1 3 . 1 1 148 148 GLY C C 148 175.141 175.141 172.335 2.806 19425 2316 1 3 . 1 1 148 148 GLY CA C 148 45.384 45.384 43.823 1.561 19425 2317 1 3 . 1 1 148 148 GLY H H 148 8.594 8.594 8.773 -0.179 19425 2318 1 3 . 1 1 149 149 LEU N N 149 120.880 120.880 119.269 1.611 19425 2319 1 3 . 1 1 149 149 LEU C C 149 170.973 170.973 175.496 -4.523 19425 2320 1 3 . 1 1 149 149 LEU CA C 149 53.299 53.299 53.607 -0.308 19425 2321 1 3 . 1 1 149 149 LEU CB C 149 43.938 43.938 45.916 -1.978 19425 2322 1 3 . 1 1 149 149 LEU H H 149 8.303 8.303 8.114 0.189 19425 2323 1 3 . 1 1 150 150 GLN N N 150 118.978 118.978 119.234 -0.256 19425 2324 1 3 . 1 1 150 150 GLN C C 150 177.133 177.133 175.841 1.292 19425 2325 1 3 . 1 1 150 150 GLN CA C 150 54.723 54.723 55.086 -0.363 19425 2326 1 3 . 1 1 150 150 GLN CB C 150 32.690 32.690 32.504 0.186 19425 2327 1 3 . 1 1 150 150 GLN H H 150 9.115 9.115 8.561 0.554 19425 2328 1 3 . 1 1 151 151 GLU N N 151 121.344 121.344 123.593 -2.249 19425 2329 1 3 . 1 1 151 151 GLU C C 151 175.333 175.333 175.976 -0.643 19425 2330 1 3 . 1 1 151 151 GLU CA C 151 59.140 59.140 58.353 0.787 19425 2331 1 3 . 1 1 151 151 GLU CB C 151 30.735 30.735 29.974 0.760 19425 2332 1 3 . 1 1 151 151 GLU H H 151 9.142 9.142 8.758 0.384 19425 2333 1 3 . 1 1 152 152 ASP N N 152 117.494 117.494 118.660 -1.166 19425 2334 1 3 . 1 1 152 152 ASP C C 152 176.391 176.391 176.127 0.264 19425 2335 1 3 . 1 1 152 152 ASP CA C 152 54.139 54.139 54.399 -0.260 19425 2336 1 3 . 1 1 152 152 ASP CB C 152 41.920 41.920 41.631 0.289 19425 2337 1 3 . 1 1 152 152 ASP H H 152 8.023 8.023 8.081 -0.058 19425 2338 1 3 . 1 1 153 153 THR N N 153 111.969 111.969 108.933 3.036 19425 2339 1 3 . 1 1 153 153 THR C C 153 175.964 175.964 174.615 1.349 19425 2340 1 3 . 1 1 153 153 THR CA C 153 61.894 61.894 62.246 -0.352 19425 2341 1 3 . 1 1 153 153 THR CB C 153 68.903 68.903 69.372 -0.469 19425 2342 1 3 . 1 1 153 153 THR H H 153 7.985 7.985 8.060 -0.075 19425 2343 1 3 . 1 1 154 154 THR N N 154 113.978 113.978 113.794 0.184 19425 2344 1 3 . 1 1 154 154 THR C C 154 175.000 175.000 174.951 0.049 19425 2345 1 3 . 1 1 154 154 THR CA C 154 62.359 62.359 63.512 -1.153 19425 2346 1 3 . 1 1 154 154 THR CB C 154 69.210 69.210 68.642 0.568 19425 2347 1 3 . 1 1 154 154 THR H H 154 7.790 7.790 7.586 0.204 19425 2348 1 3 . 1 1 155 155 GLY N N 155 108.411 108.411 114.051 -5.640 19425 2349 1 3 . 1 1 155 155 GLY C C 155 174.702 174.702 172.771 1.931 19425 2350 1 3 . 1 1 155 155 GLY CA C 155 44.737 44.737 44.750 -0.013 19425 2351 1 3 . 1 1 155 155 GLY H H 155 7.639 7.639 7.937 -0.298 19425 2352 1 3 . 1 1 156 156 GLU N N 156 118.666 118.666 120.667 -2.001 19425 2353 1 3 . 1 1 156 156 GLU C C 156 173.571 173.571 177.790 -4.219 19425 2354 1 3 . 1 1 156 156 GLU CA C 156 59.352 59.352 56.934 2.418 19425 2355 1 3 . 1 1 156 156 GLU CB C 156 31.248 31.248 30.607 0.641 19425 2356 1 3 . 1 1 156 156 GLU H H 156 8.606 8.606 8.695 -0.089 19425 2357 1 3 . 1 1 157 157 ALA N N 157 118.664 118.664 123.654 -4.990 19425 2358 1 3 . 1 1 157 157 ALA C C 157 177.727 177.727 178.368 -0.641 19425 2359 1 3 . 1 1 157 157 ALA CA C 157 55.063 55.063 54.803 0.260 19425 2360 1 3 . 1 1 157 157 ALA CB C 157 18.856 18.856 18.087 0.769 19425 2361 1 3 . 1 1 157 157 ALA H H 157 8.159 8.159 8.532 -0.373 19425 2362 1 3 . 1 1 158 158 CYS N N 158 114.681 114.681 114.881 -0.200 19425 2363 1 3 . 1 1 158 158 CYS C C 158 179.972 179.972 173.593 6.379 19425 2364 1 3 . 1 1 158 158 CYS CA C 158 57.585 57.585 59.081 -1.496 19425 2365 1 3 . 1 1 158 158 CYS CB C 158 27.977 27.977 26.676 1.301 19425 2366 1 3 . 1 1 158 158 CYS H H 158 7.973 7.973 8.264 -0.291 19425 2367 1 3 . 1 1 165 165 ALA N N 165 122.416 122.416 128.271 -5.855 19425 2368 1 3 . 1 1 165 165 ALA C C 165 176.743 176.743 177.593 -0.850 19425 2369 1 3 . 1 1 165 165 ALA CA C 165 52.390 52.390 53.635 -1.245 19425 2370 1 3 . 1 1 165 165 ALA CB C 165 20.486 20.486 19.362 1.124 19425 2371 1 3 . 1 1 165 165 ALA H H 165 8.190 8.190 8.669 -0.479 19425 2372 1 3 . 1 1 166 166 SER N N 166 111.681 111.681 113.722 -2.041 19425 2373 1 3 . 1 1 166 166 SER C C 166 176.876 176.876 174.095 2.781 19425 2374 1 3 . 1 1 166 166 SER CA C 166 56.863 56.863 57.020 -0.157 19425 2375 1 3 . 1 1 166 166 SER CB C 166 65.738 65.738 64.973 0.765 19425 2376 1 3 . 1 1 166 166 SER H H 166 7.690 7.690 7.739 -0.049 19425 2377 1 3 . 1 1 167 167 LYS N N 167 121.655 121.655 115.850 5.805 19425 2378 1 3 . 1 1 167 167 LYS C C 167 175.241 175.241 176.622 -1.381 19425 2379 1 3 . 1 1 167 167 LYS CA C 167 55.297 55.297 57.086 -1.789 19425 2380 1 3 . 1 1 167 167 LYS CB C 167 31.364 31.364 31.894 -0.530 19425 2381 1 3 . 1 1 167 167 LYS H H 167 8.230 8.230 8.608 -0.378 19425 2382 1 3 . 1 1 168 168 GLN N N 168 117.832 117.832 118.024 -0.192 19425 2383 1 3 . 1 1 168 168 GLN C C 168 176.836 176.836 176.451 0.385 19425 2384 1 3 . 1 1 168 168 GLN CA C 168 57.366 57.366 56.521 0.845 19425 2385 1 3 . 1 1 168 168 GLN CB C 168 28.979 28.979 29.416 -0.437 19425 2386 1 3 . 1 1 168 168 GLN H H 168 8.134 8.134 7.553 0.581 19425 2387 1 3 . 1 1 169 169 ARG N N 169 117.052 117.052 119.098 -2.046 19425 2388 1 3 . 1 1 169 169 ARG C C 169 175.946 175.946 175.299 0.647 19425 2389 1 3 . 1 1 169 169 ARG CA C 169 52.885 52.885 54.474 -1.589 19425 2390 1 3 . 1 1 169 169 ARG CB C 169 32.795 32.795 30.859 1.936 19425 2391 1 3 . 1 1 169 169 ARG H H 169 7.209 7.209 7.909 -0.700 19425 2392 1 3 . 1 1 170 170 SER N N 170 114.335 114.335 114.048 0.287 19425 2393 1 3 . 1 1 170 170 SER C C 170 174.387 174.387 173.381 1.006 19425 2394 1 3 . 1 1 170 170 SER CA C 170 56.976 56.976 55.987 0.989 19425 2395 1 3 . 1 1 170 170 SER CB C 170 66.348 66.348 65.305 1.043 19425 2396 1 3 . 1 1 170 170 SER H H 170 8.279 8.279 8.467 -0.188 19425 2397 1 3 . 1 1 171 171 GLU N N 171 121.428 121.428 120.853 0.575 19425 2398 1 3 . 1 1 171 171 GLU C C 171 173.293 173.293 177.331 -4.038 19425 2399 1 3 . 1 1 171 171 GLU CA C 171 58.658 58.658 56.833 1.825 19425 2400 1 3 . 1 1 171 171 GLU CB C 171 28.693 28.693 28.724 -0.031 19425 2401 1 3 . 1 1 171 171 GLU H H 171 8.540 8.540 8.614 -0.074 19425 2402 1 3 . 1 1 172 172 GLY N N 172 113.162 113.162 114.220 -1.058 19425 2403 1 3 . 1 1 172 172 GLY C C 172 177.504 177.504 174.414 3.090 19425 2404 1 3 . 1 1 172 172 GLY CA C 172 45.452 45.452 45.113 0.339 19425 2405 1 3 . 1 1 172 172 GLY H H 172 8.676 8.676 9.115 -0.439 19425 2406 1 3 . 1 1 173 173 GLU N N 173 119.545 119.545 121.261 -1.716 19425 2407 1 3 . 1 1 173 173 GLU C C 173 173.311 173.311 176.091 -2.780 19425 2408 1 3 . 1 1 173 173 GLU CA C 173 55.689 55.689 56.341 -0.652 19425 2409 1 3 . 1 1 173 173 GLU CB C 173 31.204 31.204 30.874 0.330 19425 2410 1 3 . 1 1 173 173 GLU H H 173 7.805 7.805 7.778 0.027 19425 2411 1 3 . 1 1 174 174 LYS N N 174 120.834 120.834 121.566 -0.732 19425 2412 1 3 . 1 1 174 174 LYS C C 174 175.352 175.352 176.643 -1.291 19425 2413 1 3 . 1 1 174 174 LYS CA C 174 57.207 57.207 56.766 0.442 19425 2414 1 3 . 1 1 174 174 LYS CB C 174 34.185 34.185 32.766 1.419 19425 2415 1 3 . 1 1 174 174 LYS H H 174 8.215 8.215 8.439 -0.224 19425 2416 1 3 . 1 1 175 175 VAL N N 175 122.529 122.529 123.885 -1.356 19425 2417 1 3 . 1 1 175 175 VAL C C 175 176.595 176.595 175.788 0.807 19425 2418 1 3 . 1 1 175 175 VAL CA C 175 63.046 63.046 61.453 1.593 19425 2419 1 3 . 1 1 175 175 VAL CB C 175 31.265 31.265 31.448 -0.183 19425 2420 1 3 . 1 1 175 175 VAL H H 175 7.914 7.914 8.623 -0.709 19425 2421 1 3 . 1 1 176 176 ARG N N 176 127.622 127.622 127.149 0.473 19425 2422 1 3 . 1 1 176 176 ARG C C 176 175.742 175.742 176.691 -0.949 19425 2423 1 3 . 1 1 176 176 ARG CA C 176 55.767 55.767 53.324 2.443 19425 2424 1 3 . 1 1 176 176 ARG CB C 176 30.480 30.480 31.793 -1.313 19425 2425 1 3 . 1 1 176 176 ARG H H 176 7.570 7.570 8.928 -1.358 19425 2426 1 3 . 1 1 177 177 VAL N N 177 122.521 122.521 121.601 0.920 19425 2427 1 3 . 1 1 177 177 VAL C C 177 177.523 177.523 177.403 0.120 19425 2428 1 3 . 1 1 177 177 VAL CA C 177 65.322 65.322 64.213 1.109 19425 2429 1 3 . 1 1 177 177 VAL CB C 177 31.431 31.431 31.111 0.320 19425 2430 1 3 . 1 1 177 177 VAL H H 177 8.276 8.276 7.988 0.288 19425 2431 1 3 . 1 1 179 179 ASP N N 179 122.577 122.577 124.166 -1.589 19425 2432 1 3 . 1 1 179 179 ASP C C 179 174.554 174.554 175.654 -1.100 19425 2433 1 3 . 1 1 179 179 ASP CA C 179 54.687 54.687 54.828 -0.141 19425 2434 1 3 . 1 1 179 179 ASP CB C 179 40.417 40.417 41.421 -1.004 19425 2435 1 3 . 1 1 179 179 ASP H H 179 7.848 7.848 7.922 -0.074 19425 2436 1 3 . 1 1 180 180 ASP N N 180 121.916 121.916 124.523 -2.607 19425 2437 1 3 . 1 1 180 180 ASP C C 180 174.610 174.610 176.058 -1.448 19425 2438 1 3 . 1 1 180 180 ASP CA C 180 54.379 54.379 55.420 -1.041 19425 2439 1 3 . 1 1 180 180 ASP CB C 180 42.178 42.178 40.925 1.253 19425 2440 1 3 . 1 1 180 180 ASP H H 180 8.521 8.521 8.581 -0.060 19425 2441 1 3 . 1 1 181 181 LEU N N 181 121.499 121.499 123.273 -1.774 19425 2442 1 3 . 1 1 181 181 LEU C C 181 175.166 175.166 176.750 -1.584 19425 2443 1 3 . 1 1 181 181 LEU CA C 181 54.379 54.379 53.651 0.728 19425 2444 1 3 . 1 1 181 181 LEU CB C 181 45.395 45.395 44.552 0.843 19425 2445 1 3 . 1 1 181 181 LEU H H 181 9.782 9.782 9.085 0.697 19425 2446 1 3 . 1 1 185 185 SER N N 185 122.939 122.939 123.483 -0.544 19425 2447 1 3 . 1 1 185 185 SER C C 185 175.871 175.871 175.588 0.283 19425 2448 1 3 . 1 1 185 185 SER CA C 185 57.514 57.514 59.372 -1.858 19425 2449 1 3 . 1 1 185 185 SER CB C 185 62.772 62.772 63.111 -0.339 19425 2450 1 3 . 1 1 185 185 SER H H 185 9.183 9.183 9.011 0.172 19425 2451 1 3 . 1 1 186 186 VAL N N 186 131.799 131.799 127.102 4.697 19425 2452 1 3 . 1 1 186 186 VAL C C 186 177.226 177.226 177.114 0.112 19425 2453 1 3 . 1 1 186 186 VAL CA C 186 65.883 65.883 65.243 0.640 19425 2454 1 3 . 1 1 186 186 VAL CB C 186 31.190 31.190 31.139 0.051 19425 2455 1 3 . 1 1 186 186 VAL H H 186 8.285 8.285 8.354 -0.069 19425 2456 1 3 . 1 1 187 187 SER N N 187 110.228 110.228 113.713 -3.485 19425 2457 1 3 . 1 1 187 187 SER C C 187 177.077 177.077 174.808 2.269 19425 2458 1 3 . 1 1 187 187 SER CA C 187 60.200 60.200 60.121 0.079 19425 2459 1 3 . 1 1 187 187 SER CB C 187 62.264 62.264 63.457 -1.193 19425 2460 1 3 . 1 1 187 187 SER H H 187 7.000 7.000 7.751 -0.751 19425 2461 1 3 . 1 1 188 188 SER N N 188 115.022 115.022 114.447 0.575 19425 2462 1 3 . 1 1 188 188 SER C C 188 176.632 176.632 173.343 3.289 19425 2463 1 3 . 1 1 188 188 SER CA C 188 58.889 58.889 58.157 0.732 19425 2464 1 3 . 1 1 188 188 SER CB C 188 66.818 66.818 64.081 2.737 19425 2465 1 3 . 1 1 188 188 SER H H 188 7.886 7.886 7.819 0.067 19425 2466 1 3 . 1 1 189 189 GLU N N 189 118.477 118.477 119.011 -0.534 19425 2467 1 3 . 1 1 189 189 GLU C C 189 175.000 175.000 174.488 0.512 19425 2468 1 3 . 1 1 189 189 GLU CA C 189 58.562 58.562 57.830 0.732 19425 2469 1 3 . 1 1 189 189 GLU CB C 189 27.420 27.420 27.648 -0.229 19425 2470 1 3 . 1 1 189 189 GLU H H 189 7.929 7.929 8.272 -0.343 19425 2471 1 3 . 1 1 190 190 ARG N N 190 116.828 116.828 116.943 -0.115 19425 2472 1 3 . 1 1 190 190 ARG C C 190 173.868 173.868 175.973 -2.105 19425 2473 1 3 . 1 1 190 190 ARG CA C 190 54.238 54.238 54.508 -0.270 19425 2474 1 3 . 1 1 190 190 ARG CB C 190 32.141 32.141 32.998 -0.857 19425 2475 1 3 . 1 1 190 190 ARG H H 190 6.723 6.723 7.267 -0.544 19425 2476 1 3 . 1 1 191 191 TYR N N 191 118.733 118.733 121.396 -2.663 19425 2477 1 3 . 1 1 191 191 TYR C C 191 174.368 174.368 177.323 -2.955 19425 2478 1 3 . 1 1 191 191 TYR CA C 191 57.405 57.405 58.715 -1.310 19425 2479 1 3 . 1 1 191 191 TYR CB C 191 39.444 39.444 39.440 0.004 19425 2480 1 3 . 1 1 191 191 TYR H H 191 8.912 8.912 8.968 -0.056 19425 2481 1 3 . 1 1 192 192 LEU N N 192 123.460 123.460 124.651 -1.191 19425 2482 1 3 . 1 1 192 192 LEU C C 192 176.753 176.753 176.104 0.649 19425 2483 1 3 . 1 1 192 192 LEU CA C 192 57.061 57.061 54.224 2.837 19425 2484 1 3 . 1 1 192 192 LEU CB C 192 41.351 41.351 40.601 0.750 19425 2485 1 3 . 1 1 192 192 LEU H H 192 8.836 8.836 8.884 -0.048 19425 2486 1 3 . 1 1 193 193 HIS N N 193 134.195 134.195 125.299 8.896 19425 2487 1 3 . 1 1 193 193 HIS C C 193 178.766 178.766 174.423 4.343 19425 2488 1 3 . 1 1 193 193 HIS CA C 193 56.349 56.349 56.030 0.319 19425 2489 1 3 . 1 1 193 193 HIS CB C 193 31.613 31.613 31.854 -0.241 19425 2490 1 3 . 1 1 193 193 HIS H H 193 10.227 10.227 8.914 1.313 19425 2491 1 3 . 1 1 194 194 LEU N N 194 128.500 128.500 127.181 1.319 19425 2492 1 3 . 1 1 194 194 LEU C C 194 170.268 170.268 175.436 -5.168 19425 2493 1 3 . 1 1 194 194 LEU CA C 194 54.139 54.139 53.717 0.422 19425 2494 1 3 . 1 1 194 194 LEU CB C 194 44.036 44.036 43.794 0.242 19425 2495 1 3 . 1 1 194 194 LEU H H 194 7.784 7.784 7.757 0.027 19425 2496 1 3 . 1 1 195 195 SER N N 195 122.195 122.195 122.500 -0.305 19425 2497 1 3 . 1 1 195 195 SER C C 195 174.740 174.740 173.341 1.399 19425 2498 1 3 . 1 1 195 195 SER CA C 195 56.814 56.814 56.877 -0.063 19425 2499 1 3 . 1 1 195 195 SER CB C 195 66.260 66.260 66.158 0.102 19425 2500 1 3 . 1 1 195 195 SER H H 195 9.042 9.042 9.065 -0.023 19425 2501 1 3 . 1 1 196 196 TYR N N 196 124.809 124.809 126.203 -1.394 19425 2502 1 3 . 1 1 196 196 TYR C C 196 172.439 172.439 175.373 -2.934 19425 2503 1 3 . 1 1 196 196 TYR CA C 196 57.019 57.019 56.940 0.079 19425 2504 1 3 . 1 1 196 196 TYR CB C 196 39.817 39.817 38.692 1.125 19425 2505 1 3 . 1 1 196 196 TYR H H 196 8.657 8.657 8.906 -0.249 19425 2506 1 3 . 1 1 197 197 GLY N N 197 114.111 114.111 114.762 -0.651 19425 2507 1 3 . 1 1 197 197 GLY C C 197 176.113 176.113 174.032 2.081 19425 2508 1 3 . 1 1 197 197 GLY CA C 197 45.492 45.492 44.374 1.118 19425 2509 1 3 . 1 1 197 197 GLY H H 197 8.030 8.030 8.205 -0.175 19425 2510 1 3 . 1 1 200 200 SER N N 200 113.158 113.158 115.754 -2.596 19425 2511 1 3 . 1 1 200 200 SER C C 200 172.661 172.661 171.782 0.879 19425 2512 1 3 . 1 1 200 200 SER CA C 200 56.890 56.890 56.772 0.118 19425 2513 1 3 . 1 1 200 200 SER CB C 200 65.522 65.522 66.028 -0.506 19425 2514 1 3 . 1 1 200 200 SER H H 200 6.893 6.893 7.484 -0.591 19425 2515 1 3 . 1 1 201 201 TRP N N 201 122.521 122.521 120.230 2.291 19425 2516 1 3 . 1 1 201 201 TRP C C 201 171.813 171.813 175.988 -4.175 19425 2517 1 3 . 1 1 201 201 TRP CA C 201 56.990 56.990 56.272 0.718 19425 2518 1 3 . 1 1 201 201 TRP CB C 201 31.501 31.501 31.917 -0.416 19425 2519 1 3 . 1 1 201 201 TRP H H 201 8.243 8.243 8.228 0.015 19425 2520 1 3 . 1 1 202 202 HIS N N 202 121.171 121.171 118.987 2.184 19425 2521 1 3 . 1 1 202 202 HIS C C 202 173.805 173.805 173.652 0.153 19425 2522 1 3 . 1 1 202 202 HIS CA C 202 55.169 55.169 54.803 0.365 19425 2523 1 3 . 1 1 202 202 HIS CB C 202 32.254 32.254 34.274 -2.020 19425 2524 1 3 . 1 1 202 202 HIS H H 202 9.383 9.383 9.408 -0.025 19425 2525 1 3 . 1 1 203 203 VAL N N 203 119.943 119.943 120.966 -1.023 19425 2526 1 3 . 1 1 203 203 VAL C C 203 172.439 172.439 174.238 -1.799 19425 2527 1 3 . 1 1 203 203 VAL CA C 203 58.683 58.683 60.045 -1.362 19425 2528 1 3 . 1 1 203 203 VAL CB C 203 33.957 33.957 34.925 -0.968 19425 2529 1 3 . 1 1 203 203 VAL H H 203 8.649 8.649 8.848 -0.199 19425 2530 1 3 . 1 1 204 204 ASP N N 204 127.907 127.907 127.385 0.522 19425 2531 1 3 . 1 1 204 204 ASP C C 204 173.162 173.162 173.875 -0.713 19425 2532 1 3 . 1 1 204 204 ASP CA C 204 53.545 53.545 52.659 0.886 19425 2533 1 3 . 1 1 204 204 ASP CB C 204 42.169 42.169 44.575 -2.406 19425 2534 1 3 . 1 1 204 204 ASP H H 204 9.822 9.822 9.049 0.773 19425 2535 1 3 . 1 1 205 205 ALA N N 205 121.047 121.047 121.120 -0.073 19425 2536 1 3 . 1 1 205 205 ALA C C 205 172.754 172.754 176.250 -3.496 19425 2537 1 3 . 1 1 205 205 ALA CA C 205 50.147 50.147 50.558 -0.411 19425 2538 1 3 . 1 1 205 205 ALA CB C 205 19.642 19.642 19.495 0.147 19425 2539 1 3 . 1 1 205 205 ALA H H 205 9.176 9.176 8.429 0.747 19425 2540 1 3 . 1 1 206 206 ALA N N 206 127.318 127.318 126.284 1.034 19425 2541 1 3 . 1 1 206 206 ALA C C 206 176.465 176.465 175.887 0.578 19425 2542 1 3 . 1 1 206 206 ALA CA C 206 50.609 50.609 50.421 0.188 19425 2543 1 3 . 1 1 206 206 ALA CB C 206 23.819 23.819 21.787 2.032 19425 2544 1 3 . 1 1 206 206 ALA H H 206 9.088 9.088 8.045 1.043 19425 2545 1 3 . 1 1 207 207 PHE N N 207 117.878 117.878 117.087 0.791 19425 2546 1 3 . 1 1 207 207 PHE C C 207 176.576 176.576 175.709 0.867 19425 2547 1 3 . 1 1 207 207 PHE CA C 207 59.714 59.714 58.748 0.966 19425 2548 1 3 . 1 1 207 207 PHE CB C 207 38.239 38.239 38.863 -0.624 19425 2549 1 3 . 1 1 207 207 PHE H H 207 8.953 8.953 8.486 0.467 19425 2550 1 3 . 1 1 208 208 GLN N N 208 117.531 117.531 117.248 0.283 19425 2551 1 3 . 1 1 208 208 GLN C C 208 175.166 175.166 175.265 -0.099 19425 2552 1 3 . 1 1 208 208 GLN CA C 208 55.096 55.096 54.066 1.030 19425 2553 1 3 . 1 1 208 208 GLN CB C 208 30.437 30.437 30.840 -0.403 19425 2554 1 3 . 1 1 208 208 GLN H H 208 6.613 6.613 7.745 -1.132 19425 2555 1 3 . 1 1 209 209 GLN N N 209 117.318 117.318 122.004 -4.686 19425 2556 1 3 . 1 1 209 209 GLN C C 209 173.162 173.162 175.607 -2.445 19425 2557 1 3 . 1 1 209 209 GLN CA C 209 56.217 56.217 56.518 -0.301 19425 2558 1 3 . 1 1 209 209 GLN CB C 209 29.912 29.912 29.501 0.411 19425 2559 1 3 . 1 1 209 209 GLN H H 209 8.108 8.108 8.326 -0.218 19425 2560 1 3 . 1 1 210 210 THR N N 210 116.616 116.616 114.412 2.204 19425 2561 1 3 . 1 1 210 210 THR C C 210 176.150 176.150 172.799 3.351 19425 2562 1 3 . 1 1 210 210 THR CA C 210 62.848 62.848 61.821 1.027 19425 2563 1 3 . 1 1 210 210 THR CB C 210 73.244 73.244 70.559 2.685 19425 2564 1 3 . 1 1 210 210 THR H H 210 6.641 6.641 8.289 -1.648 19425 2565 1 3 . 1 1 211 211 LEU N N 211 126.776 126.776 126.871 -0.095 19425 2566 1 3 . 1 1 211 211 LEU C C 211 171.418 171.418 175.577 -4.159 19425 2567 1 3 . 1 1 211 211 LEU CA C 211 55.012 55.012 54.790 0.222 19425 2568 1 3 . 1 1 211 211 LEU CB C 211 41.627 41.627 42.130 -0.503 19425 2569 1 3 . 1 1 211 211 LEU H H 211 8.418 8.418 8.469 -0.051 19425 2570 1 3 . 1 1 212 212 TRP N N 212 124.678 124.678 124.622 0.056 19425 2571 1 3 . 1 1 212 212 TRP C C 212 175.742 175.742 175.990 -0.248 19425 2572 1 3 . 1 1 212 212 TRP CA C 212 56.052 56.052 55.553 0.499 19425 2573 1 3 . 1 1 212 212 TRP CB C 212 31.169 31.169 32.827 -1.658 19425 2574 1 3 . 1 1 212 212 TRP H H 212 9.462 9.462 9.134 0.328 19425 2575 1 3 . 1 1 213 213 SER N N 213 118.197 118.197 117.720 0.477 19425 2576 1 3 . 1 1 213 213 SER C C 213 175.575 175.575 173.753 1.822 19425 2577 1 3 . 1 1 213 213 SER CA C 213 57.141 57.141 56.229 0.912 19425 2578 1 3 . 1 1 213 213 SER CB C 213 64.800 64.800 63.314 1.486 19425 2579 1 3 . 1 1 213 213 SER H H 213 9.642 9.642 9.308 0.334 19425 2580 1 3 . 1 1 214 214 VAL N N 214 125.581 125.581 129.915 -4.334 19425 2581 1 3 . 1 1 214 214 VAL C C 214 174.183 174.183 174.875 -0.692 19425 2582 1 3 . 1 1 214 214 VAL CA C 214 61.398 61.398 61.582 -0.184 19425 2583 1 3 . 1 1 214 214 VAL CB C 214 32.502 32.502 30.696 1.806 19425 2584 1 3 . 1 1 214 214 VAL H H 214 8.433 8.433 8.492 -0.059 19425 2585 1 3 . 1 1 215 215 ALA N N 215 130.074 130.074 131.840 -1.766 19425 2586 1 3 . 1 1 215 215 ALA C C 215 174.647 174.647 174.300 0.347 19425 2587 1 3 . 1 1 215 215 ALA CA C 215 49.058 49.058 48.654 0.404 19425 2588 1 3 . 1 1 215 215 ALA CB C 215 20.299 20.299 20.661 -0.362 19425 2589 1 3 . 1 1 215 215 ALA H H 215 8.572 8.572 8.350 0.222 19425 2590 1 4 . 1 1 13 13 PHE N N 13 122.001 122.001 121.370 0.631 19425 2591 1 4 . 1 1 13 13 PHE C C 13 174.608 174.608 175.815 -1.207 19425 2592 1 4 . 1 1 13 13 PHE CA C 13 56.445 56.445 55.869 0.576 19425 2593 1 4 . 1 1 13 13 PHE CB C 13 41.650 41.650 41.852 -0.202 19425 2594 1 4 . 1 1 13 13 PHE H H 13 8.209 8.209 8.345 -0.136 19425 2595 1 4 . 1 1 14 14 LEU N N 14 122.475 122.475 123.729 -1.254 19425 2596 1 4 . 1 1 14 14 LEU C C 14 175.630 175.630 175.975 -0.345 19425 2597 1 4 . 1 1 14 14 LEU CA C 14 55.024 55.024 55.043 -0.019 19425 2598 1 4 . 1 1 14 14 LEU CB C 14 43.987 43.987 41.849 2.138 19425 2599 1 4 . 1 1 14 14 LEU H H 14 8.264 8.264 8.929 -0.665 19425 2600 1 4 . 1 1 15 15 ARG N N 15 121.510 121.510 122.986 -1.476 19425 2601 1 4 . 1 1 15 15 ARG C C 15 175.630 175.630 177.201 -1.571 19425 2602 1 4 . 1 1 15 15 ARG CA C 15 54.007 54.007 52.799 1.208 19425 2603 1 4 . 1 1 15 15 ARG CB C 15 34.536 34.536 32.654 1.882 19425 2604 1 4 . 1 1 15 15 ARG H H 15 8.653 8.653 8.189 0.464 19425 2605 1 4 . 1 1 16 16 THR N N 16 110.840 110.840 112.644 -1.804 19425 2606 1 4 . 1 1 16 16 THR C C 16 175.946 175.946 175.044 0.902 19425 2607 1 4 . 1 1 16 16 THR CA C 16 62.950 62.950 62.825 0.125 19425 2608 1 4 . 1 1 16 16 THR CB C 16 69.276 69.276 69.602 -0.326 19425 2609 1 4 . 1 1 16 16 THR H H 16 8.815 8.815 8.444 0.371 19425 2610 1 4 . 1 1 17 17 ASP N N 17 114.036 114.036 116.490 -2.454 19425 2611 1 4 . 1 1 17 17 ASP C C 17 175.686 175.686 175.192 0.494 19425 2612 1 4 . 1 1 17 17 ASP CA C 17 57.735 57.735 56.722 1.013 19425 2613 1 4 . 1 1 17 17 ASP CB C 17 39.928 39.928 40.318 -0.390 19425 2614 1 4 . 1 1 17 17 ASP H H 17 9.241 9.241 8.910 0.331 19425 2615 1 4 . 1 1 18 18 ASP N N 18 122.062 122.062 121.425 0.637 19425 2616 1 4 . 1 1 18 18 ASP C C 18 175.946 175.946 175.646 0.300 19425 2617 1 4 . 1 1 18 18 ASP CA C 18 56.214 56.214 54.823 1.391 19425 2618 1 4 . 1 1 18 18 ASP CB C 18 40.985 40.985 41.404 -0.419 19425 2619 1 4 . 1 1 18 18 ASP H H 18 8.035 8.035 7.606 0.429 19425 2620 1 4 . 1 1 19 19 GLU N N 19 122.006 122.006 124.650 -2.644 19425 2621 1 4 . 1 1 19 19 GLU C C 19 175.055 175.055 176.033 -0.978 19425 2622 1 4 . 1 1 19 19 GLU CA C 19 55.262 55.262 56.591 -1.329 19425 2623 1 4 . 1 1 19 19 GLU CB C 19 30.712 30.712 30.341 0.371 19425 2624 1 4 . 1 1 19 19 GLU H H 19 8.274 8.274 8.672 -0.398 19425 2625 1 4 . 1 1 20 20 VAL N N 20 118.214 118.214 121.501 -3.287 19425 2626 1 4 . 1 1 20 20 VAL C C 20 176.855 176.855 173.677 3.178 19425 2627 1 4 . 1 1 20 20 VAL CA C 20 59.054 59.054 58.908 0.146 19425 2628 1 4 . 1 1 20 20 VAL CB C 20 36.780 36.780 36.292 0.488 19425 2629 1 4 . 1 1 20 20 VAL H H 20 9.779 9.779 9.205 0.574 19425 2630 1 4 . 1 1 21 21 VAL N N 21 115.443 115.443 115.165 0.278 19425 2631 1 4 . 1 1 21 21 VAL C C 21 173.830 173.830 174.021 -0.191 19425 2632 1 4 . 1 1 21 21 VAL CA C 21 60.308 60.308 59.389 0.918 19425 2633 1 4 . 1 1 21 21 VAL CB C 21 34.625 34.625 34.824 -0.199 19425 2634 1 4 . 1 1 21 21 VAL H H 21 8.167 8.167 8.474 -0.307 19425 2635 1 4 . 1 1 22 22 LEU N N 22 128.072 128.072 127.770 0.302 19425 2636 1 4 . 1 1 22 22 LEU C C 22 174.858 174.858 175.966 -1.108 19425 2637 1 4 . 1 1 22 22 LEU CA C 22 55.656 55.656 54.283 1.373 19425 2638 1 4 . 1 1 22 22 LEU CB C 22 42.545 42.545 41.973 0.572 19425 2639 1 4 . 1 1 22 22 LEU H H 22 10.103 10.103 8.928 1.175 19425 2640 1 4 . 1 1 23 23 GLN N N 23 120.609 120.609 123.173 -2.564 19425 2641 1 4 . 1 1 23 23 GLN C C 23 175.500 175.500 175.231 0.269 19425 2642 1 4 . 1 1 23 23 GLN CA C 23 53.710 53.710 54.041 -0.331 19425 2643 1 4 . 1 1 23 23 GLN CB C 23 33.697 33.697 33.382 0.315 19425 2644 1 4 . 1 1 23 23 GLN H H 23 9.119 9.119 8.668 0.451 19425 2645 1 4 . 1 1 24 24 CYS N N 24 118.659 118.659 117.648 1.011 19425 2646 1 4 . 1 1 24 24 CYS C C 24 174.443 174.443 173.663 0.780 19425 2647 1 4 . 1 1 24 24 CYS CA C 24 55.261 55.261 56.580 -1.319 19425 2648 1 4 . 1 1 24 24 CYS CB C 24 30.302 30.302 30.858 -0.555 19425 2649 1 4 . 1 1 24 24 CYS H H 24 8.993 8.993 9.110 -0.117 19425 2650 1 4 . 1 1 25 25 THR N N 25 116.266 116.266 120.719 -4.453 19425 2651 1 4 . 1 1 25 25 THR C C 25 172.457 172.457 173.979 -1.522 19425 2652 1 4 . 1 1 25 25 THR CA C 25 61.858 61.858 63.430 -1.572 19425 2653 1 4 . 1 1 25 25 THR CB C 25 70.271 70.271 68.926 1.345 19425 2654 1 4 . 1 1 25 25 THR H H 25 8.480 8.480 8.641 -0.161 19425 2655 1 4 . 1 1 26 26 ALA N N 26 129.739 129.739 131.817 -2.078 19425 2656 1 4 . 1 1 26 26 ALA C C 26 172.717 172.717 175.168 -2.451 19425 2657 1 4 . 1 1 26 26 ALA CA C 26 50.642 50.642 50.210 0.432 19425 2658 1 4 . 1 1 26 26 ALA CB C 26 21.315 21.315 19.807 1.508 19425 2659 1 4 . 1 1 26 26 ALA H H 26 8.590 8.590 8.600 -0.010 19425 2660 1 4 . 1 1 27 27 THR N N 27 116.574 116.574 118.912 -2.338 19425 2661 1 4 . 1 1 27 27 THR C C 27 173.181 173.181 174.016 -0.835 19425 2662 1 4 . 1 1 27 27 THR CA C 27 61.919 61.919 61.672 0.247 19425 2663 1 4 . 1 1 27 27 THR CB C 27 69.696 69.696 70.851 -1.155 19425 2664 1 4 . 1 1 27 27 THR H H 27 8.110 8.110 8.260 -0.150 19425 2665 1 4 . 1 1 28 28 ILE N N 28 126.342 126.342 125.468 0.874 19425 2666 1 4 . 1 1 28 28 ILE C C 28 173.793 173.793 174.437 -0.644 19425 2667 1 4 . 1 1 28 28 ILE CA C 28 60.407 60.407 61.451 -1.044 19425 2668 1 4 . 1 1 28 28 ILE CB C 28 39.536 39.536 40.156 -0.619 19425 2669 1 4 . 1 1 28 28 ILE H H 28 8.483 8.483 8.785 -0.302 19425 2670 1 4 . 1 1 29 29 HIS N N 29 126.364 126.364 126.212 0.152 19425 2671 1 4 . 1 1 29 29 HIS C C 29 175.259 175.259 174.284 0.975 19425 2672 1 4 . 1 1 29 29 HIS CA C 29 57.174 57.174 57.111 0.062 19425 2673 1 4 . 1 1 29 29 HIS CB C 29 28.029 28.029 28.307 -0.278 19425 2674 1 4 . 1 1 29 29 HIS H H 29 9.110 9.110 8.385 0.725 19425 2675 1 4 . 1 1 31 31 GLU N N 31 120.962 120.962 119.902 1.060 19425 2676 1 4 . 1 1 31 31 GLU C C 31 175.575 175.575 174.299 1.276 19425 2677 1 4 . 1 1 31 31 GLU CA C 31 55.394 55.394 55.488 -0.094 19425 2678 1 4 . 1 1 31 31 GLU CB C 31 31.576 31.576 32.488 -0.912 19425 2679 1 4 . 1 1 31 31 GLU H H 31 8.047 8.047 7.727 0.320 19425 2680 1 4 . 1 1 32 32 GLN N N 32 123.171 123.171 125.752 -2.581 19425 2681 1 4 . 1 1 32 32 GLN C C 32 175.185 175.185 174.715 0.470 19425 2682 1 4 . 1 1 32 32 GLN CA C 32 54.496 54.496 54.408 0.088 19425 2683 1 4 . 1 1 32 32 GLN CB C 32 30.054 30.054 31.512 -1.458 19425 2684 1 4 . 1 1 32 32 GLN H H 32 8.646 8.646 8.739 -0.093 19425 2685 1 4 . 1 1 33 33 GLN N N 33 123.530 123.530 120.962 2.568 19425 2686 1 4 . 1 1 33 33 GLN C C 33 175.667 175.667 173.432 2.235 19425 2687 1 4 . 1 1 33 33 GLN CA C 33 54.616 54.616 54.575 0.041 19425 2688 1 4 . 1 1 33 33 GLN CB C 33 31.748 31.748 32.428 -0.680 19425 2689 1 4 . 1 1 33 33 GLN H H 33 8.839 8.839 8.881 -0.042 19425 2690 1 4 . 1 1 34 34 LYS N N 34 124.601 124.601 120.602 3.999 19425 2691 1 4 . 1 1 34 34 LYS C C 34 173.812 173.812 175.577 -1.765 19425 2692 1 4 . 1 1 34 34 LYS CA C 34 55.755 55.755 55.110 0.645 19425 2693 1 4 . 1 1 34 34 LYS CB C 34 32.712 32.712 35.471 -2.759 19425 2694 1 4 . 1 1 34 34 LYS H H 34 8.589 8.589 8.472 0.117 19425 2695 1 4 . 1 1 35 35 LEU N N 35 126.071 126.071 123.787 2.284 19425 2696 1 4 . 1 1 35 35 LEU C C 35 175.445 175.445 175.276 0.169 19425 2697 1 4 . 1 1 35 35 LEU CA C 35 53.347 53.347 53.267 0.079 19425 2698 1 4 . 1 1 35 35 LEU CB C 35 44.943 44.943 46.078 -1.135 19425 2699 1 4 . 1 1 35 35 LEU H H 35 8.794 8.794 8.526 0.268 19425 2700 1 4 . 1 1 36 36 CYS N N 36 118.373 118.373 121.679 -3.306 19425 2701 1 4 . 1 1 36 36 CYS C C 36 176.057 176.057 174.410 1.647 19425 2702 1 4 . 1 1 36 36 CYS CA C 36 57.174 57.174 56.624 0.550 19425 2703 1 4 . 1 1 36 36 CYS CB C 36 30.306 30.306 29.772 0.534 19425 2704 1 4 . 1 1 36 36 CYS H H 36 9.042 9.042 8.858 0.184 19425 2705 1 4 . 1 1 37 37 LEU N N 37 129.256 129.256 129.014 0.242 19425 2706 1 4 . 1 1 37 37 LEU C C 37 174.090 174.090 174.965 -0.875 19425 2707 1 4 . 1 1 37 37 LEU CA C 37 56.349 56.349 55.490 0.859 19425 2708 1 4 . 1 1 37 37 LEU CB C 37 42.689 42.689 42.380 0.309 19425 2709 1 4 . 1 1 37 37 LEU H H 37 8.811 8.811 8.930 -0.119 19425 2710 1 4 . 1 1 38 38 ALA N N 38 127.229 127.229 128.446 -1.217 19425 2711 1 4 . 1 1 38 38 ALA C C 38 174.517 174.517 175.179 -0.662 19425 2712 1 4 . 1 1 38 38 ALA CA C 38 50.609 50.609 49.399 1.210 19425 2713 1 4 . 1 1 38 38 ALA CB C 38 24.141 24.141 22.304 1.837 19425 2714 1 4 . 1 1 38 38 ALA H H 38 8.879 8.879 8.557 0.322 19425 2715 1 4 . 1 1 39 39 ALA N N 39 117.076 117.076 120.199 -3.123 19425 2716 1 4 . 1 1 39 39 ALA C C 39 174.665 174.665 174.718 -0.053 19425 2717 1 4 . 1 1 39 39 ALA CA C 39 51.500 51.500 51.692 -0.192 19425 2718 1 4 . 1 1 39 39 ALA CB C 39 20.996 20.996 21.461 -0.465 19425 2719 1 4 . 1 1 39 39 ALA H H 39 6.837 6.837 7.710 -0.873 19425 2720 1 4 . 1 1 40 40 GLU N N 40 119.966 119.966 118.013 1.953 19425 2721 1 4 . 1 1 40 40 GLU C C 40 176.205 176.205 175.717 0.488 19425 2722 1 4 . 1 1 40 40 GLU CA C 40 55.950 55.950 55.028 0.922 19425 2723 1 4 . 1 1 40 40 GLU CB C 40 31.836 31.836 32.455 -0.619 19425 2724 1 4 . 1 1 40 40 GLU H H 40 8.413 8.413 8.470 -0.057 19425 2725 1 4 . 1 1 41 41 GLY N N 41 108.646 108.646 108.389 0.257 19425 2726 1 4 . 1 1 41 41 GLY C C 41 176.892 176.892 173.395 3.497 19425 2727 1 4 . 1 1 41 41 GLY CA C 41 45.628 45.628 45.476 0.152 19425 2728 1 4 . 1 1 41 41 GLY H H 41 8.463 8.463 8.557 -0.094 19425 2729 1 4 . 1 1 43 43 GLY N N 43 109.557 109.557 113.894 -4.337 19425 2730 1 4 . 1 1 43 43 GLY C C 43 176.465 176.465 174.734 1.731 19425 2731 1 4 . 1 1 43 43 GLY CA C 43 45.397 45.397 45.788 -0.391 19425 2732 1 4 . 1 1 43 43 GLY H H 43 8.510 8.510 8.019 0.491 19425 2733 1 4 . 1 1 44 44 ASN N N 44 116.850 116.850 122.523 -5.673 19425 2734 1 4 . 1 1 44 44 ASN C C 44 173.830 173.830 175.328 -1.498 19425 2735 1 4 . 1 1 44 44 ASN CA C 44 54.184 54.184 52.527 1.657 19425 2736 1 4 . 1 1 44 44 ASN CB C 44 38.252 38.252 37.697 0.555 19425 2737 1 4 . 1 1 44 44 ASN H H 44 8.028 8.028 8.699 -0.671 19425 2738 1 4 . 1 1 45 45 ARG N N 45 118.226 118.226 114.678 3.548 19425 2739 1 4 . 1 1 45 45 ARG C C 45 174.072 174.072 174.794 -0.722 19425 2740 1 4 . 1 1 45 45 ARG CA C 45 56.077 56.077 57.288 -1.211 19425 2741 1 4 . 1 1 45 45 ARG CB C 45 31.231 31.231 27.096 4.135 19425 2742 1 4 . 1 1 45 45 ARG H H 45 7.759 7.759 7.542 0.217 19425 2743 1 4 . 1 1 46 46 LEU N N 46 124.643 124.643 119.630 5.013 19425 2744 1 4 . 1 1 46 46 LEU C C 46 176.447 176.447 176.804 -0.357 19425 2745 1 4 . 1 1 46 46 LEU CA C 46 54.667 54.667 54.422 0.245 19425 2746 1 4 . 1 1 46 46 LEU CB C 46 42.605 42.605 42.919 -0.314 19425 2747 1 4 . 1 1 46 46 LEU H H 46 8.695 8.695 8.117 0.578 19425 2748 1 4 . 1 1 47 47 CYS N N 47 119.241 119.241 120.489 -1.248 19425 2749 1 4 . 1 1 47 47 CYS C C 47 176.651 176.651 174.923 1.728 19425 2750 1 4 . 1 1 47 47 CYS CA C 47 55.885 55.885 59.461 -3.576 19425 2751 1 4 . 1 1 47 47 CYS CB C 47 31.112 31.112 27.334 3.778 19425 2752 1 4 . 1 1 47 47 CYS H H 47 9.007 9.007 8.554 0.453 19425 2753 1 4 . 1 1 48 48 PHE N N 48 114.081 114.081 118.131 -4.050 19425 2754 1 4 . 1 1 48 48 PHE C C 48 170.342 170.342 173.085 -2.743 19425 2755 1 4 . 1 1 48 48 PHE CA C 48 57.405 57.405 55.883 1.522 19425 2756 1 4 . 1 1 48 48 PHE CB C 48 43.263 43.263 40.239 3.024 19425 2757 1 4 . 1 1 48 48 PHE H H 48 8.647 8.647 8.557 0.090 19425 2758 1 4 . 1 1 49 49 LEU N N 49 122.287 122.287 119.335 2.952 19425 2759 1 4 . 1 1 49 49 LEU C C 49 176.236 176.236 176.110 0.126 19425 2760 1 4 . 1 1 49 49 LEU CA C 49 53.285 53.285 53.840 -0.555 19425 2761 1 4 . 1 1 49 49 LEU CB C 49 42.907 42.907 45.577 -2.670 19425 2762 1 4 . 1 1 49 49 LEU H H 49 9.108 9.108 8.868 0.240 19425 2763 1 4 . 1 1 50 50 GLU N N 50 123.206 123.206 122.855 0.351 19425 2764 1 4 . 1 1 50 50 GLU C C 50 177.671 177.671 175.419 2.252 19425 2765 1 4 . 1 1 50 50 GLU CA C 50 57.084 57.084 54.645 2.439 19425 2766 1 4 . 1 1 50 50 GLU CB C 50 30.123 30.123 33.165 -3.042 19425 2767 1 4 . 1 1 50 50 GLU H H 50 8.834 8.834 8.876 -0.042 19425 2768 1 4 . 1 1 51 51 SER N N 51 118.500 118.500 120.859 -2.359 19425 2769 1 4 . 1 1 51 51 SER C C 51 176.706 176.706 174.492 2.214 19425 2770 1 4 . 1 1 51 51 SER CA C 51 58.560 58.560 59.348 -0.788 19425 2771 1 4 . 1 1 51 51 SER CB C 51 63.979 63.979 64.213 -0.234 19425 2772 1 4 . 1 1 51 51 SER H H 51 8.461 8.461 8.828 -0.367 19425 2773 1 4 . 1 1 52 52 THR N N 52 116.205 116.205 116.226 -0.021 19425 2774 1 4 . 1 1 52 52 THR C C 52 174.808 174.808 174.640 0.168 19425 2775 1 4 . 1 1 52 52 THR CA C 52 61.891 61.891 60.111 1.780 19425 2776 1 4 . 1 1 52 52 THR CB C 52 70.076 70.076 70.799 -0.723 19425 2777 1 4 . 1 1 52 52 THR H H 52 8.199 8.199 8.112 0.087 19425 2778 1 4 . 1 1 65 65 CYS N N 65 117.553 117.553 120.293 -2.740 19425 2779 1 4 . 1 1 65 65 CYS C C 65 176.948 176.948 174.399 2.549 19425 2780 1 4 . 1 1 65 65 CYS CA C 65 57.900 57.900 56.139 1.761 19425 2781 1 4 . 1 1 65 65 CYS CB C 65 30.290 30.290 27.252 3.038 19425 2782 1 4 . 1 1 65 65 CYS H H 65 7.539 7.539 7.715 -0.176 19425 2783 1 4 . 1 1 66 66 THR N N 66 113.614 113.614 119.439 -5.825 19425 2784 1 4 . 1 1 66 66 THR C C 66 180.325 180.325 173.408 6.917 19425 2785 1 4 . 1 1 66 66 THR CA C 66 63.399 63.399 63.537 -0.138 19425 2786 1 4 . 1 1 66 66 THR CB C 66 69.281 69.281 69.182 0.099 19425 2787 1 4 . 1 1 66 66 THR H H 66 6.851 6.851 7.263 -0.412 19425 2788 1 4 . 1 1 67 67 PHE N N 67 126.248 126.248 125.244 1.004 19425 2789 1 4 . 1 1 67 67 PHE C C 67 174.424 174.424 174.199 0.225 19425 2790 1 4 . 1 1 67 67 PHE CA C 67 56.184 56.184 56.594 -0.410 19425 2791 1 4 . 1 1 67 67 PHE CB C 67 43.291 43.291 44.422 -1.131 19425 2792 1 4 . 1 1 67 67 PHE H H 67 9.603 9.603 9.402 0.201 19425 2793 1 4 . 1 1 68 68 VAL N N 68 121.310 121.310 118.961 2.349 19425 2794 1 4 . 1 1 68 68 VAL C C 68 173.719 173.719 175.504 -1.785 19425 2795 1 4 . 1 1 68 68 VAL CA C 68 60.935 60.935 60.749 0.186 19425 2796 1 4 . 1 1 68 68 VAL CB C 68 34.522 34.522 34.459 0.063 19425 2797 1 4 . 1 1 68 68 VAL H H 68 9.968 9.968 8.632 1.336 19425 2798 1 4 . 1 1 69 69 LEU N N 69 127.011 127.011 128.745 -1.734 19425 2799 1 4 . 1 1 69 69 LEU C C 69 177.152 177.152 177.939 -0.787 19425 2800 1 4 . 1 1 69 69 LEU CA C 69 53.083 53.083 54.544 -1.462 19425 2801 1 4 . 1 1 69 69 LEU CB C 69 39.652 39.652 39.342 0.311 19425 2802 1 4 . 1 1 69 69 LEU H H 69 8.135 8.135 8.673 -0.538 19425 2803 1 4 . 1 1 70 70 GLU N N 70 129.683 129.683 121.666 8.017 19425 2804 1 4 . 1 1 70 70 GLU C C 70 174.869 174.869 176.961 -2.092 19425 2805 1 4 . 1 1 70 70 GLU CA C 70 59.747 59.747 59.246 0.501 19425 2806 1 4 . 1 1 70 70 GLU CB C 70 31.291 31.291 29.914 1.377 19425 2807 1 4 . 1 1 70 70 GLU H H 70 8.654 8.654 8.359 0.295 19425 2808 1 4 . 1 1 71 71 GLN N N 71 110.287 110.287 117.055 -6.768 19425 2809 1 4 . 1 1 71 71 GLN C C 71 176.094 176.094 174.980 1.114 19425 2810 1 4 . 1 1 71 71 GLN CA C 71 54.030 54.030 54.574 -0.544 19425 2811 1 4 . 1 1 71 71 GLN CB C 71 33.112 33.112 32.786 0.326 19425 2812 1 4 . 1 1 71 71 GLN H H 71 7.318 7.318 7.608 -0.290 19425 2813 1 4 . 1 1 72 72 SER N N 72 116.205 116.205 116.689 -0.484 19425 2814 1 4 . 1 1 72 72 SER C C 72 174.035 174.035 173.603 0.432 19425 2815 1 4 . 1 1 72 72 SER CA C 72 58.132 58.132 58.017 0.115 19425 2816 1 4 . 1 1 72 72 SER CB C 72 64.295 64.295 63.405 0.890 19425 2817 1 4 . 1 1 72 72 SER H H 72 8.380 8.380 8.644 -0.264 19425 2818 1 4 . 1 1 73 73 LEU N N 73 127.858 127.858 124.922 2.936 19425 2819 1 4 . 1 1 73 73 LEU C C 73 173.701 173.701 176.008 -2.307 19425 2820 1 4 . 1 1 73 73 LEU CA C 73 53.347 53.347 52.967 0.380 19425 2821 1 4 . 1 1 73 73 LEU CB C 73 45.926 45.926 45.504 0.422 19425 2822 1 4 . 1 1 73 73 LEU H H 73 9.532 9.532 8.783 0.749 19425 2823 1 4 . 1 1 74 74 SER N N 74 115.724 115.724 115.132 0.592 19425 2824 1 4 . 1 1 74 74 SER C C 74 177.541 177.541 175.792 1.749 19425 2825 1 4 . 1 1 74 74 SER CA C 74 57.905 57.905 58.005 -0.100 19425 2826 1 4 . 1 1 74 74 SER CB C 74 63.901 63.901 63.793 0.108 19425 2827 1 4 . 1 1 74 74 SER H H 74 8.240 8.240 8.144 0.096 19425 2828 1 4 . 1 1 75 75 VAL N N 75 122.994 122.994 124.151 -1.157 19425 2829 1 4 . 1 1 75 75 VAL C C 75 174.610 174.610 177.818 -3.208 19425 2830 1 4 . 1 1 75 75 VAL CA C 75 67.104 67.104 67.075 0.029 19425 2831 1 4 . 1 1 75 75 VAL CB C 75 30.953 30.953 31.237 -0.284 19425 2832 1 4 . 1 1 75 75 VAL H H 75 9.056 9.056 9.031 0.025 19425 2833 1 4 . 1 1 76 76 ARG N N 76 119.193 119.193 120.363 -1.170 19425 2834 1 4 . 1 1 76 76 ARG C C 76 178.228 178.228 178.062 0.166 19425 2835 1 4 . 1 1 76 76 ARG CA C 76 59.087 59.087 59.537 -0.450 19425 2836 1 4 . 1 1 76 76 ARG CB C 76 29.280 29.280 29.832 -0.552 19425 2837 1 4 . 1 1 76 76 ARG H H 76 8.137 8.137 8.409 -0.272 19425 2838 1 4 . 1 1 77 77 ALA N N 77 122.977 122.977 121.730 1.247 19425 2839 1 4 . 1 1 77 77 ALA C C 77 178.506 178.506 179.682 -1.176 19425 2840 1 4 . 1 1 77 77 ALA CA C 77 54.926 54.926 54.677 0.249 19425 2841 1 4 . 1 1 77 77 ALA CB C 77 18.231 18.231 18.117 0.114 19425 2842 1 4 . 1 1 77 77 ALA H H 77 7.699 7.699 7.605 0.094 19425 2843 1 4 . 1 1 78 78 LEU N N 78 121.115 121.115 120.155 0.960 19425 2844 1 4 . 1 1 78 78 LEU C C 78 180.640 180.640 178.305 2.335 19425 2845 1 4 . 1 1 78 78 LEU CA C 78 57.985 57.985 57.397 0.588 19425 2846 1 4 . 1 1 78 78 LEU CB C 78 40.522 40.522 41.304 -0.782 19425 2847 1 4 . 1 1 78 78 LEU H H 78 8.303 8.303 8.300 0.003 19425 2848 1 4 . 1 1 79 79 GLN N N 79 116.873 116.873 117.540 -0.667 19425 2849 1 4 . 1 1 79 79 GLN C C 79 177.875 177.875 178.391 -0.516 19425 2850 1 4 . 1 1 79 79 GLN CA C 79 59.069 59.069 59.052 0.017 19425 2851 1 4 . 1 1 79 79 GLN CB C 79 27.254 27.254 28.368 -1.114 19425 2852 1 4 . 1 1 79 79 GLN H H 79 8.390 8.390 8.169 0.221 19425 2853 1 4 . 1 1 80 80 GLU N N 80 120.455 120.455 120.823 -0.368 19425 2854 1 4 . 1 1 80 80 GLU C C 80 179.749 179.749 178.655 1.094 19425 2855 1 4 . 1 1 80 80 GLU CA C 80 59.413 59.413 58.911 0.502 19425 2856 1 4 . 1 1 80 80 GLU CB C 80 29.142 29.142 29.096 0.045 19425 2857 1 4 . 1 1 80 80 GLU H H 80 7.942 7.942 7.877 0.065 19425 2858 1 4 . 1 1 81 81 MET N N 81 120.541 120.541 118.665 1.876 19425 2859 1 4 . 1 1 81 81 MET C C 81 178.599 178.599 178.820 -0.221 19425 2860 1 4 . 1 1 81 81 MET CA C 81 59.665 59.665 59.330 0.335 19425 2861 1 4 . 1 1 81 81 MET CB C 81 32.534 32.534 32.692 -0.158 19425 2862 1 4 . 1 1 81 81 MET H H 81 7.870 7.870 7.970 -0.100 19425 2863 1 4 . 1 1 82 82 LEU N N 82 119.662 119.662 119.226 0.436 19425 2864 1 4 . 1 1 82 82 LEU C C 82 179.638 179.638 179.161 0.477 19425 2865 1 4 . 1 1 82 82 LEU CA C 82 57.669 57.669 57.044 0.625 19425 2866 1 4 . 1 1 82 82 LEU CB C 82 40.783 40.783 41.666 -0.883 19425 2867 1 4 . 1 1 82 82 LEU H H 82 8.488 8.488 7.961 0.527 19425 2868 1 4 . 1 1 83 83 ALA N N 83 120.827 120.827 121.396 -0.569 19425 2869 1 4 . 1 1 83 83 ALA C C 83 179.323 179.323 179.705 -0.382 19425 2870 1 4 . 1 1 83 83 ALA CA C 83 54.073 54.073 54.738 -0.665 19425 2871 1 4 . 1 1 83 83 ALA CB C 83 18.326 18.326 18.666 -0.340 19425 2872 1 4 . 1 1 83 83 ALA H H 83 7.704 7.704 8.033 -0.329 19425 2873 1 4 . 1 1 84 84 ASN N N 84 115.853 115.853 115.450 0.403 19425 2874 1 4 . 1 1 84 84 ASN C C 84 178.944 178.944 176.340 2.604 19425 2875 1 4 . 1 1 84 84 ASN CA C 84 54.167 54.167 54.778 -0.611 19425 2876 1 4 . 1 1 84 84 ASN CB C 84 39.465 39.465 38.830 0.636 19425 2877 1 4 . 1 1 84 84 ASN H H 84 7.729 7.729 8.101 -0.372 19425 2878 1 4 . 1 1 85 85 THR N N 85 112.611 112.611 111.431 1.180 19425 2879 1 4 . 1 1 85 85 THR C C 85 175.569 175.569 175.067 0.502 19425 2880 1 4 . 1 1 85 85 THR CA C 85 63.086 63.086 62.360 0.726 19425 2881 1 4 . 1 1 85 85 THR CB C 85 70.071 70.071 68.353 1.718 19425 2882 1 4 . 1 1 85 85 THR H H 85 7.698 7.698 7.475 0.223 19425 2883 1 4 . 1 1 86 86 VAL N N 86 121.812 121.812 119.837 1.975 19425 2884 1 4 . 1 1 86 86 VAL C C 86 174.573 174.573 177.292 -2.719 19425 2885 1 4 . 1 1 86 86 VAL CA C 86 62.811 62.811 64.829 -2.018 19425 2886 1 4 . 1 1 86 86 VAL CB C 86 32.730 32.730 31.542 1.188 19425 2887 1 4 . 1 1 86 86 VAL H H 86 7.874 7.874 7.358 0.516 19425 2888 1 4 . 1 1 87 87 GLU N N 87 124.330 124.330 118.354 5.976 19425 2889 1 4 . 1 1 87 87 GLU C C 87 176.280 176.280 176.453 -0.173 19425 2890 1 4 . 1 1 87 87 GLU CA C 87 56.877 56.877 57.304 -0.427 19425 2891 1 4 . 1 1 87 87 GLU CB C 87 29.852 29.852 30.354 -0.502 19425 2892 1 4 . 1 1 87 87 GLU H H 87 8.403 8.403 8.381 0.022 19425 2893 1 4 . 1 1 88 88 LYS N N 88 122.065 122.065 119.062 3.003 19425 2894 1 4 . 1 1 88 88 LYS C C 88 176.966 176.966 175.141 1.825 19425 2895 1 4 . 1 1 88 88 LYS CA C 88 56.799 56.799 55.110 1.689 19425 2896 1 4 . 1 1 88 88 LYS CB C 88 32.597 32.597 34.818 -2.221 19425 2897 1 4 . 1 1 88 88 LYS H H 88 8.330 8.330 7.632 0.698 19425 2898 1 4 . 1 1 89 89 SER N N 89 116.192 116.192 116.168 0.024 19425 2899 1 4 . 1 1 89 89 SER C C 89 176.865 176.865 173.651 3.214 19425 2900 1 4 . 1 1 89 89 SER CA C 89 59.008 59.008 57.966 1.042 19425 2901 1 4 . 1 1 89 89 SER CB C 89 63.765 63.765 64.014 -0.249 19425 2902 1 4 . 1 1 89 89 SER H H 89 8.247 8.247 8.608 -0.361 19425 2903 1 4 . 1 1 90 90 GLU N N 90 122.006 122.006 119.913 2.093 19425 2904 1 4 . 1 1 90 90 GLU C C 90 174.702 174.702 176.089 -1.387 19425 2905 1 4 . 1 1 90 90 GLU CA C 90 57.231 57.231 55.921 1.310 19425 2906 1 4 . 1 1 90 90 GLU CB C 90 29.442 29.442 31.640 -2.199 19425 2907 1 4 . 1 1 90 90 GLU H H 90 8.560 8.560 7.593 0.967 19425 2908 1 4 . 1 1 91 91 GLY N N 91 110.052 110.052 113.560 -3.508 19425 2909 1 4 . 1 1 91 91 GLY C C 91 177.170 177.170 174.549 2.621 19425 2910 1 4 . 1 1 91 91 GLY CA C 91 45.634 45.634 44.706 0.928 19425 2911 1 4 . 1 1 91 91 GLY H H 91 8.358 8.358 8.701 -0.343 19425 2912 1 4 . 1 1 92 92 GLN N N 92 120.053 120.053 119.010 1.043 19425 2913 1 4 . 1 1 92 92 GLN C C 92 173.905 173.905 176.237 -2.332 19425 2914 1 4 . 1 1 92 92 GLN CA C 92 55.261 55.261 55.909 -0.648 19425 2915 1 4 . 1 1 92 92 GLN CB C 92 29.573 29.573 29.068 0.505 19425 2916 1 4 . 1 1 92 92 GLN H H 92 8.075 8.075 8.185 -0.110 19425 2917 1 4 . 1 1 93 93 VAL N N 93 123.434 123.434 119.131 4.303 19425 2918 1 4 . 1 1 93 93 VAL C C 93 175.667 175.667 175.059 0.608 19425 2919 1 4 . 1 1 93 93 VAL CA C 93 62.914 62.914 62.586 0.328 19425 2920 1 4 . 1 1 93 93 VAL CB C 93 32.629 32.629 32.067 0.562 19425 2921 1 4 . 1 1 93 93 VAL H H 93 8.370 8.370 7.714 0.656 19425 2922 1 4 . 1 1 94 94 ASP N N 94 125.761 125.761 124.867 0.894 19425 2923 1 4 . 1 1 94 94 ASP C C 94 175.704 175.704 176.115 -0.411 19425 2924 1 4 . 1 1 94 94 ASP CA C 94 53.743 53.743 54.301 -0.558 19425 2925 1 4 . 1 1 94 94 ASP CB C 94 40.771 40.771 39.674 1.097 19425 2926 1 4 . 1 1 94 94 ASP H H 94 8.550 8.550 8.741 -0.191 19425 2927 1 4 . 1 1 95 95 VAL N N 95 125.064 125.064 122.727 2.337 19425 2928 1 4 . 1 1 95 95 VAL C C 95 176.465 176.465 176.345 0.120 19425 2929 1 4 . 1 1 95 95 VAL CA C 95 65.487 65.487 63.548 1.939 19425 2930 1 4 . 1 1 95 95 VAL CB C 95 31.773 31.773 31.992 -0.219 19425 2931 1 4 . 1 1 95 95 VAL H H 95 8.300 8.300 7.641 0.659 19425 2932 1 4 . 1 1 96 96 GLU N N 96 120.880 120.880 120.323 0.557 19425 2933 1 4 . 1 1 96 96 GLU C C 96 177.523 177.523 177.537 -0.014 19425 2934 1 4 . 1 1 96 96 GLU CA C 96 59.157 59.157 59.223 -0.066 19425 2935 1 4 . 1 1 96 96 GLU CB C 96 28.575 28.575 29.536 -0.961 19425 2936 1 4 . 1 1 96 96 GLU H H 96 8.297 8.297 8.334 -0.037 19425 2937 1 4 . 1 1 97 97 LYS N N 97 121.943 121.943 118.779 3.164 19425 2938 1 4 . 1 1 97 97 LYS C C 97 179.434 179.434 178.302 1.132 19425 2939 1 4 . 1 1 97 97 LYS CA C 97 59.186 59.186 58.279 0.907 19425 2940 1 4 . 1 1 97 97 LYS CB C 97 32.036 32.036 32.553 -0.517 19425 2941 1 4 . 1 1 97 97 LYS H H 97 7.979 7.979 8.145 -0.166 19425 2942 1 4 . 1 1 98 98 TRP N N 98 121.420 121.420 121.693 -0.273 19425 2943 1 4 . 1 1 98 98 TRP C C 98 178.673 178.673 178.168 0.505 19425 2944 1 4 . 1 1 98 98 TRP CA C 98 60.176 60.176 59.465 0.711 19425 2945 1 4 . 1 1 98 98 TRP CB C 98 29.340 29.340 29.021 0.319 19425 2946 1 4 . 1 1 98 98 TRP H H 98 8.202 8.202 8.383 -0.181 19425 2947 1 4 . 1 1 99 99 LYS N N 99 118.236 118.236 118.621 -0.385 19425 2948 1 4 . 1 1 99 99 LYS C C 99 177.374 177.374 179.098 -1.724 19425 2949 1 4 . 1 1 99 99 LYS CA C 99 59.812 59.812 59.454 0.358 19425 2950 1 4 . 1 1 99 99 LYS CB C 99 32.042 32.042 31.519 0.523 19425 2951 1 4 . 1 1 99 99 LYS H H 99 8.346 8.346 8.471 -0.125 19425 2952 1 4 . 1 1 100 100 PHE N N 100 120.365 120.365 120.329 0.036 19425 2953 1 4 . 1 1 100 100 PHE C C 100 179.193 179.193 177.399 1.794 19425 2954 1 4 . 1 1 100 100 PHE CA C 100 60.902 60.902 60.993 -0.091 19425 2955 1 4 . 1 1 100 100 PHE CB C 100 38.875 38.875 39.105 -0.230 19425 2956 1 4 . 1 1 100 100 PHE H H 100 7.916 7.916 7.614 0.302 19425 2957 1 4 . 1 1 101 101 MET N N 101 121.837 121.837 121.075 0.762 19425 2958 1 4 . 1 1 101 101 MET C C 101 178.172 178.172 178.247 -0.075 19425 2959 1 4 . 1 1 101 101 MET CA C 101 58.625 58.625 58.965 -0.340 19425 2960 1 4 . 1 1 101 101 MET CB C 101 32.081 32.081 32.727 -0.646 19425 2961 1 4 . 1 1 101 101 MET H H 101 8.393 8.393 8.347 0.046 19425 2962 1 4 . 1 1 102 102 MET N N 102 119.901 119.901 118.702 1.199 19425 2963 1 4 . 1 1 102 102 MET C C 102 178.655 178.655 177.606 1.049 19425 2964 1 4 . 1 1 102 102 MET CA C 102 57.867 57.867 59.219 -1.352 19425 2965 1 4 . 1 1 102 102 MET CB C 102 32.414 32.414 32.571 -0.157 19425 2966 1 4 . 1 1 102 102 MET H H 102 8.174 8.174 8.537 -0.363 19425 2967 1 4 . 1 1 103 103 LYS N N 103 120.555 120.555 119.763 0.792 19425 2968 1 4 . 1 1 103 103 LYS C C 103 177.857 177.857 179.027 -1.170 19425 2969 1 4 . 1 1 103 103 LYS CA C 103 58.592 58.592 59.790 -1.198 19425 2970 1 4 . 1 1 103 103 LYS CB C 103 31.816 31.816 32.404 -0.588 19425 2971 1 4 . 1 1 103 103 LYS H H 103 7.899 7.899 8.023 -0.124 19425 2972 1 4 . 1 1 104 104 THR N N 104 115.450 115.450 115.524 -0.074 19425 2973 1 4 . 1 1 104 104 THR C C 104 179.267 179.267 176.134 3.133 19425 2974 1 4 . 1 1 104 104 THR CA C 104 64.914 64.914 65.878 -0.964 19425 2975 1 4 . 1 1 104 104 THR CB C 104 69.103 69.103 68.465 0.638 19425 2976 1 4 . 1 1 104 104 THR H H 104 7.895 7.895 7.981 -0.086 19425 2977 1 4 . 1 1 105 105 ALA N N 105 124.862 124.862 124.767 0.095 19425 2978 1 4 . 1 1 105 105 ALA C C 105 176.057 176.057 179.078 -3.021 19425 2979 1 4 . 1 1 105 105 ALA CA C 105 54.106 54.106 55.184 -1.078 19425 2980 1 4 . 1 1 105 105 ALA CB C 105 18.493 18.493 18.256 0.237 19425 2981 1 4 . 1 1 105 105 ALA H H 105 7.896 7.896 7.721 0.175 19425 2982 1 4 . 1 1 106 106 GLN N N 106 117.285 117.285 116.482 0.803 19425 2983 1 4 . 1 1 106 106 GLN C C 106 178.655 178.655 178.398 0.257 19425 2984 1 4 . 1 1 106 106 GLN CA C 106 56.913 56.913 57.837 -0.923 19425 2985 1 4 . 1 1 106 106 GLN CB C 106 29.148 29.148 28.876 0.272 19425 2986 1 4 . 1 1 106 106 GLN H H 106 7.944 7.944 8.110 -0.166 19425 2987 1 4 . 1 1 107 107 GLY N N 107 107.494 107.494 107.978 -0.484 19425 2988 1 4 . 1 1 107 107 GLY C C 107 177.597 177.597 175.125 2.472 19425 2989 1 4 . 1 1 107 107 GLY CA C 107 45.975 45.975 45.823 0.152 19425 2990 1 4 . 1 1 107 107 GLY H H 107 7.852 7.852 7.818 0.034 19425 2991 1 4 . 1 1 108 108 GLY N N 108 109.642 109.642 110.002 -0.360 19425 2992 1 4 . 1 1 108 108 GLY C C 108 174.740 174.740 173.867 0.873 19425 2993 1 4 . 1 1 108 108 GLY CA C 108 45.151 45.151 45.461 -0.310 19425 2994 1 4 . 1 1 108 108 GLY H H 108 8.313 8.313 8.378 -0.065 19425 2995 1 4 . 1 1 109 109 GLY N N 109 108.058 108.058 106.638 1.420 19425 2996 1 4 . 1 1 109 109 GLY C C 109 174.313 174.313 174.076 0.237 19425 2997 1 4 . 1 1 109 109 GLY CA C 109 44.659 44.659 44.742 -0.083 19425 2998 1 4 . 1 1 109 109 GLY H H 109 8.059 8.059 7.435 0.624 19425 2999 1 4 . 1 1 110 110 HIS N N 110 118.432 118.432 118.093 0.339 19425 3000 1 4 . 1 1 110 110 HIS C C 110 173.348 173.348 173.583 -0.235 19425 3001 1 4 . 1 1 110 110 HIS CA C 110 55.590 55.590 57.772 -2.182 19425 3002 1 4 . 1 1 110 110 HIS CB C 110 28.502 28.502 28.292 0.210 19425 3003 1 4 . 1 1 110 110 HIS H H 110 8.261 8.261 8.581 -0.320 19425 3004 1 4 . 1 1 111 111 ARG N N 111 122.052 122.052 117.205 4.847 19425 3005 1 4 . 1 1 111 111 ARG C C 111 174.908 174.908 175.081 -0.173 19425 3006 1 4 . 1 1 111 111 ARG CA C 111 55.233 55.233 54.104 1.129 19425 3007 1 4 . 1 1 111 111 ARG CB C 111 31.125 31.125 33.489 -2.364 19425 3008 1 4 . 1 1 111 111 ARG H H 111 8.597 8.597 8.396 0.201 19425 3009 1 4 . 1 1 112 112 THR N N 112 120.248 120.248 118.452 1.796 19425 3010 1 4 . 1 1 112 112 THR C C 112 176.447 176.447 174.645 1.802 19425 3011 1 4 . 1 1 112 112 THR CA C 112 63.723 63.723 63.417 0.306 19425 3012 1 4 . 1 1 112 112 THR CB C 112 68.984 68.984 69.376 -0.392 19425 3013 1 4 . 1 1 112 112 THR H H 112 8.577 8.577 8.434 0.143 19425 3014 1 4 . 1 1 113 113 LEU N N 113 130.382 130.382 126.461 3.921 19425 3015 1 4 . 1 1 113 113 LEU C C 113 174.294 174.294 175.422 -1.128 19425 3016 1 4 . 1 1 113 113 LEU CA C 113 56.791 56.791 54.913 1.878 19425 3017 1 4 . 1 1 113 113 LEU CB C 113 41.705 41.705 42.788 -1.083 19425 3018 1 4 . 1 1 113 113 LEU H H 113 8.515 8.515 8.829 -0.314 19425 3019 1 4 . 1 1 114 114 LEU N N 114 118.829 118.829 122.017 -3.188 19425 3020 1 4 . 1 1 114 114 LEU C C 114 175.278 175.278 176.634 -1.356 19425 3021 1 4 . 1 1 114 114 LEU CA C 114 51.667 51.667 52.550 -0.882 19425 3022 1 4 . 1 1 114 114 LEU CB C 114 42.454 42.454 44.297 -1.843 19425 3023 1 4 . 1 1 114 114 LEU H H 114 6.454 6.454 8.159 -1.705 19425 3024 1 4 . 1 1 115 115 TYR N N 115 119.059 119.059 121.493 -2.434 19425 3025 1 4 . 1 1 115 115 TYR C C 115 177.152 177.152 177.114 0.038 19425 3026 1 4 . 1 1 115 115 TYR CA C 115 62.452 62.452 60.650 1.802 19425 3027 1 4 . 1 1 115 115 TYR CB C 115 38.058 38.058 37.755 0.303 19425 3028 1 4 . 1 1 115 115 TYR H H 115 8.797 8.797 8.728 0.069 19425 3029 1 4 . 1 1 116 116 GLY N N 116 115.795 115.795 113.657 2.138 19425 3030 1 4 . 1 1 116 116 GLY C C 116 178.061 178.061 173.892 4.169 19425 3031 1 4 . 1 1 116 116 GLY CA C 116 45.100 45.100 44.970 0.130 19425 3032 1 4 . 1 1 116 116 GLY H H 116 9.672 9.672 9.051 0.621 19425 3033 1 4 . 1 1 117 117 HIS N N 117 122.193 122.193 121.697 0.496 19425 3034 1 4 . 1 1 117 117 HIS C C 117 175.463 175.463 173.814 1.649 19425 3035 1 4 . 1 1 117 117 HIS CA C 117 56.119 56.119 55.813 0.306 19425 3036 1 4 . 1 1 117 117 HIS CB C 117 32.293 32.293 30.347 1.946 19425 3037 1 4 . 1 1 117 117 HIS H H 117 8.113 8.113 7.903 0.210 19425 3038 1 4 . 1 1 118 118 ALA N N 118 120.893 120.893 126.542 -5.649 19425 3039 1 4 . 1 1 118 118 ALA C C 118 173.775 173.775 176.095 -2.320 19425 3040 1 4 . 1 1 118 118 ALA CA C 118 50.378 50.378 51.423 -1.045 19425 3041 1 4 . 1 1 118 118 ALA CB C 118 21.646 21.646 19.633 2.013 19425 3042 1 4 . 1 1 118 118 ALA H H 118 9.458 9.458 8.916 0.542 19425 3043 1 4 . 1 1 120 120 LEU N N 120 119.631 119.631 124.099 -4.468 19425 3044 1 4 . 1 1 120 120 LEU C C 120 173.367 173.367 174.743 -1.376 19425 3045 1 4 . 1 1 120 120 LEU CA C 120 56.217 56.217 52.886 3.331 19425 3046 1 4 . 1 1 120 120 LEU CB C 120 39.519 39.519 43.997 -4.478 19425 3047 1 4 . 1 1 120 120 LEU H H 120 8.746 8.746 8.282 0.464 19425 3048 1 4 . 1 1 121 121 LEU N N 121 118.900 118.900 126.971 -8.071 19425 3049 1 4 . 1 1 121 121 LEU C C 121 171.400 171.400 175.752 -4.352 19425 3050 1 4 . 1 1 121 121 LEU CA C 121 52.852 52.852 53.717 -0.865 19425 3051 1 4 . 1 1 121 121 LEU CB C 121 43.452 43.452 42.775 0.677 19425 3052 1 4 . 1 1 121 121 LEU H H 121 8.590 8.590 8.640 -0.050 19425 3053 1 4 . 1 1 122 122 ARG N N 122 123.588 123.588 125.009 -1.421 19425 3054 1 4 . 1 1 122 122 ARG C C 122 176.465 176.465 175.462 1.003 19425 3055 1 4 . 1 1 122 122 ARG CA C 122 54.403 54.403 53.998 0.405 19425 3056 1 4 . 1 1 122 122 ARG CB C 122 32.897 32.897 31.666 1.231 19425 3057 1 4 . 1 1 122 122 ARG H H 122 9.077 9.077 8.800 0.277 19425 3058 1 4 . 1 1 123 123 HIS N N 123 131.440 131.440 127.707 3.733 19425 3059 1 4 . 1 1 123 123 HIS C C 123 175.704 175.704 175.437 0.267 19425 3060 1 4 . 1 1 123 123 HIS CA C 123 56.637 56.637 56.525 0.112 19425 3061 1 4 . 1 1 123 123 HIS CB C 123 31.261 31.261 30.108 1.153 19425 3062 1 4 . 1 1 123 123 HIS H H 123 9.622 9.622 8.477 1.145 19425 3063 1 4 . 1 1 124 124 SER N N 124 127.024 127.024 124.510 2.514 19425 3064 1 4 . 1 1 124 124 SER C C 124 175.686 175.686 175.730 -0.044 19425 3065 1 4 . 1 1 124 124 SER CA C 124 62.010 62.010 61.957 0.053 19425 3066 1 4 . 1 1 124 124 SER CB C 124 62.912 62.912 62.802 0.110 19425 3067 1 4 . 1 1 124 124 SER H H 124 7.840 7.840 8.004 -0.164 19425 3068 1 4 . 1 1 125 125 TYR N N 125 119.708 119.708 120.826 -1.118 19425 3069 1 4 . 1 1 125 125 TYR C C 125 180.696 180.696 176.523 4.173 19425 3070 1 4 . 1 1 125 125 TYR CA C 125 60.903 60.903 60.142 0.761 19425 3071 1 4 . 1 1 125 125 TYR CB C 125 38.744 38.744 38.554 0.190 19425 3072 1 4 . 1 1 125 125 TYR H H 125 8.746 8.746 7.413 1.333 19425 3073 1 4 . 1 1 126 126 SER N N 126 110.333 110.333 113.694 -3.361 19425 3074 1 4 . 1 1 126 126 SER C C 126 176.543 176.543 175.326 1.217 19425 3075 1 4 . 1 1 126 126 SER CA C 126 59.366 59.366 58.976 0.390 19425 3076 1 4 . 1 1 126 126 SER CB C 126 65.282 65.282 64.378 0.904 19425 3077 1 4 . 1 1 126 126 SER H H 126 7.004 7.004 7.799 -0.795 19425 3078 1 4 . 1 1 127 127 GLY N N 127 113.322 113.322 109.390 3.932 19425 3079 1 4 . 1 1 127 127 GLY C C 127 176.428 176.428 174.415 2.013 19425 3080 1 4 . 1 1 127 127 GLY CA C 127 46.064 46.064 45.948 0.116 19425 3081 1 4 . 1 1 127 127 GLY H H 127 8.181 8.181 8.261 -0.080 19425 3082 1 4 . 1 1 128 128 MET N N 128 118.598 118.598 118.780 -0.182 19425 3083 1 4 . 1 1 128 128 MET C C 128 173.200 173.200 175.120 -1.920 19425 3084 1 4 . 1 1 128 128 MET CA C 128 55.429 55.429 56.298 -0.869 19425 3085 1 4 . 1 1 128 128 MET CB C 128 35.988 35.988 34.281 1.707 19425 3086 1 4 . 1 1 128 128 MET H H 128 7.551 7.551 7.409 0.142 19425 3087 1 4 . 1 1 129 129 TYR N N 129 116.715 116.715 114.507 2.208 19425 3088 1 4 . 1 1 129 129 TYR C C 129 172.884 172.884 175.803 -2.919 19425 3089 1 4 . 1 1 129 129 TYR CA C 129 58.658 58.658 57.165 1.493 19425 3090 1 4 . 1 1 129 129 TYR CB C 129 40.914 40.914 41.254 -0.340 19425 3091 1 4 . 1 1 129 129 TYR H H 129 8.923 8.923 8.478 0.445 19425 3092 1 4 . 1 1 130 130 LEU N N 130 123.061 123.061 124.978 -1.917 19425 3093 1 4 . 1 1 130 130 LEU C C 130 176.677 176.677 176.471 0.206 19425 3094 1 4 . 1 1 130 130 LEU CA C 130 56.311 56.311 56.314 -0.003 19425 3095 1 4 . 1 1 130 130 LEU CB C 130 42.909 42.909 42.262 0.647 19425 3096 1 4 . 1 1 130 130 LEU H H 130 8.236 8.236 8.971 -0.735 19425 3097 1 4 . 1 1 131 131 CYS N N 131 126.618 126.618 127.418 -0.800 19425 3098 1 4 . 1 1 131 131 CYS C C 131 177.616 177.616 173.032 4.584 19425 3099 1 4 . 1 1 131 131 CYS CA C 131 57.028 57.028 57.452 -0.424 19425 3100 1 4 . 1 1 131 131 CYS CB C 131 32.339 32.339 31.524 0.815 19425 3101 1 4 . 1 1 131 131 CYS H H 131 9.516 9.516 9.494 0.022 19425 3102 1 4 . 1 1 132 132 CYS N N 132 124.860 124.860 127.389 -2.529 19425 3103 1 4 . 1 1 132 132 CYS C C 132 172.309 172.309 173.988 -1.679 19425 3104 1 4 . 1 1 132 132 CYS CA C 132 59.436 59.436 57.109 2.326 19425 3105 1 4 . 1 1 132 132 CYS CB C 132 27.383 27.383 25.906 1.477 19425 3106 1 4 . 1 1 132 132 CYS H H 132 8.142 8.142 8.335 -0.193 19425 3107 1 4 . 1 1 133 133 LEU N N 133 131.382 131.382 127.671 3.711 19425 3108 1 4 . 1 1 133 133 LEU C C 133 174.035 174.035 177.413 -3.378 19425 3109 1 4 . 1 1 133 133 LEU CA C 133 54.799 54.799 55.016 -0.217 19425 3110 1 4 . 1 1 133 133 LEU CB C 133 41.109 41.109 42.607 -1.498 19425 3111 1 4 . 1 1 133 133 LEU H H 133 9.008 9.008 8.390 0.618 19425 3112 1 4 . 1 1 134 134 SER N N 134 112.103 112.103 113.780 -1.677 19425 3113 1 4 . 1 1 134 134 SER C C 134 175.519 175.519 174.270 1.249 19425 3114 1 4 . 1 1 134 134 SER CA C 134 58.320 58.320 59.170 -0.850 19425 3115 1 4 . 1 1 134 134 SER CB C 134 63.979 63.979 62.828 1.151 19425 3116 1 4 . 1 1 134 134 SER H H 134 8.229 8.229 8.598 -0.369 19425 3117 1 4 . 1 1 135 135 THR N N 135 111.693 111.693 112.645 -0.952 19425 3118 1 4 . 1 1 135 135 THR C C 135 174.535 174.535 174.697 -0.162 19425 3119 1 4 . 1 1 135 135 THR CA C 135 60.703 60.703 61.122 -0.419 19425 3120 1 4 . 1 1 135 135 THR CB C 135 70.624 70.624 70.737 -0.113 19425 3121 1 4 . 1 1 135 135 THR H H 135 7.292 7.292 7.410 -0.118 19425 3122 1 4 . 1 1 136 136 SER N N 136 117.260 117.260 121.859 -4.599 19425 3123 1 4 . 1 1 136 136 SER C C 136 173.478 173.478 174.602 -1.124 19425 3124 1 4 . 1 1 136 136 SER CA C 136 57.537 57.537 61.257 -3.720 19425 3125 1 4 . 1 1 136 136 SER CB C 136 64.593 64.593 63.726 0.867 19425 3126 1 4 . 1 1 136 136 SER H H 136 8.544 8.544 9.090 -0.546 19425 3127 1 4 . 1 1 137 137 ARG N N 137 124.804 124.804 116.090 8.714 19425 3128 1 4 . 1 1 137 137 ARG C C 137 175.000 175.000 174.847 0.153 19425 3129 1 4 . 1 1 137 137 ARG CA C 137 56.922 56.922 56.967 -0.045 19425 3130 1 4 . 1 1 137 137 ARG CB C 137 30.733 30.733 30.587 0.146 19425 3131 1 4 . 1 1 137 137 ARG H H 137 9.231 9.231 8.214 1.017 19425 3132 1 4 . 1 1 138 138 SER N N 138 126.225 126.225 116.001 10.224 19425 3133 1 4 . 1 1 138 138 SER C C 138 175.871 175.871 173.741 2.130 19425 3134 1 4 . 1 1 138 138 SER CA C 138 61.891 61.891 58.068 3.823 19425 3135 1 4 . 1 1 138 138 SER CB C 138 62.730 62.730 63.761 -1.031 19425 3136 1 4 . 1 1 138 138 SER H H 138 7.891 7.891 8.176 -0.285 19425 3137 1 4 . 1 1 140 140 THR N N 140 114.799 114.799 114.027 0.772 19425 3138 1 4 . 1 1 140 140 THR C C 140 173.756 173.756 173.276 0.480 19425 3139 1 4 . 1 1 140 140 THR CA C 140 62.895 62.895 63.167 -0.272 19425 3140 1 4 . 1 1 140 140 THR CB C 140 69.332 69.332 69.793 -0.461 19425 3141 1 4 . 1 1 140 140 THR H H 140 8.168 8.168 8.162 0.006 19425 3142 1 4 . 1 1 141 141 ASP N N 141 121.772 121.772 120.247 1.525 19425 3143 1 4 . 1 1 141 141 ASP C C 141 174.795 174.795 175.067 -0.272 19425 3144 1 4 . 1 1 141 141 ASP CA C 141 54.001 54.001 53.518 0.483 19425 3145 1 4 . 1 1 141 141 ASP CB C 141 40.914 40.914 42.840 -1.926 19425 3146 1 4 . 1 1 141 141 ASP H H 141 8.049 8.049 7.734 0.315 19425 3147 1 4 . 1 1 142 142 LYS N N 142 121.585 121.585 118.881 2.704 19425 3148 1 4 . 1 1 142 142 LYS C C 142 176.274 176.274 176.771 -0.497 19425 3149 1 4 . 1 1 142 142 LYS CA C 142 57.106 57.106 56.025 1.081 19425 3150 1 4 . 1 1 142 142 LYS CB C 142 31.369 31.369 34.017 -2.648 19425 3151 1 4 . 1 1 142 142 LYS H H 142 8.376 8.376 8.403 -0.027 19425 3152 1 4 . 1 1 143 143 LEU N N 143 119.604 119.604 121.783 -2.179 19425 3153 1 4 . 1 1 143 143 LEU C C 143 176.798 176.798 176.470 0.328 19425 3154 1 4 . 1 1 143 143 LEU CA C 143 55.261 55.261 57.562 -2.301 19425 3155 1 4 . 1 1 143 143 LEU CB C 143 41.487 41.487 41.745 -0.258 19425 3156 1 4 . 1 1 143 143 LEU H H 143 8.262 8.262 8.318 -0.056 19425 3157 1 4 . 1 1 144 144 ALA N N 144 123.881 123.881 115.830 8.051 19425 3158 1 4 . 1 1 144 144 ALA C C 144 176.410 176.410 175.790 0.620 19425 3159 1 4 . 1 1 144 144 ALA CA C 144 51.335 51.335 50.270 1.065 19425 3160 1 4 . 1 1 144 144 ALA CB C 144 20.924 20.924 21.515 -0.591 19425 3161 1 4 . 1 1 144 144 ALA H H 144 7.614 7.614 7.574 0.040 19425 3162 1 4 . 1 1 145 145 PHE N N 145 120.083 120.083 117.333 2.750 19425 3163 1 4 . 1 1 145 145 PHE C C 145 176.948 176.948 175.712 1.236 19425 3164 1 4 . 1 1 145 145 PHE CA C 145 55.872 55.872 56.346 -0.474 19425 3165 1 4 . 1 1 145 145 PHE CB C 145 42.468 42.468 41.008 1.460 19425 3166 1 4 . 1 1 145 145 PHE H H 145 8.647 8.647 8.683 -0.036 19425 3167 1 4 . 1 1 146 146 ASP N N 146 119.893 119.893 119.994 -0.101 19425 3168 1 4 . 1 1 146 146 ASP C C 146 175.519 175.519 174.740 0.779 19425 3169 1 4 . 1 1 146 146 ASP CA C 146 54.679 54.679 54.558 0.121 19425 3170 1 4 . 1 1 146 146 ASP CB C 146 42.169 42.169 43.031 -0.862 19425 3171 1 4 . 1 1 146 146 ASP H H 146 8.692 8.692 8.945 -0.253 19425 3172 1 4 . 1 1 147 147 VAL N N 147 118.800 118.800 121.725 -2.925 19425 3173 1 4 . 1 1 147 147 VAL C C 147 174.053 174.053 175.293 -1.240 19425 3174 1 4 . 1 1 147 147 VAL CA C 147 60.671 60.671 61.286 -0.615 19425 3175 1 4 . 1 1 147 147 VAL CB C 147 35.326 35.326 33.020 2.306 19425 3176 1 4 . 1 1 147 147 VAL H H 147 8.224 8.224 8.705 -0.481 19425 3177 1 4 . 1 1 148 148 GLY N N 148 113.226 113.226 114.739 -1.513 19425 3178 1 4 . 1 1 148 148 GLY C C 148 175.141 175.141 172.153 2.988 19425 3179 1 4 . 1 1 148 148 GLY CA C 148 45.384 45.384 43.566 1.818 19425 3180 1 4 . 1 1 148 148 GLY H H 148 8.594 8.594 8.749 -0.155 19425 3181 1 4 . 1 1 149 149 LEU N N 149 120.880 120.880 119.329 1.551 19425 3182 1 4 . 1 1 149 149 LEU C C 149 170.973 170.973 175.329 -4.356 19425 3183 1 4 . 1 1 149 149 LEU CA C 149 53.299 53.299 53.666 -0.367 19425 3184 1 4 . 1 1 149 149 LEU CB C 149 43.938 43.938 45.533 -1.595 19425 3185 1 4 . 1 1 149 149 LEU H H 149 8.303 8.303 8.150 0.153 19425 3186 1 4 . 1 1 150 150 GLN N N 150 118.978 118.978 119.698 -0.720 19425 3187 1 4 . 1 1 150 150 GLN C C 150 177.133 177.133 175.785 1.348 19425 3188 1 4 . 1 1 150 150 GLN CA C 150 54.723 54.723 55.144 -0.421 19425 3189 1 4 . 1 1 150 150 GLN CB C 150 32.690 32.690 32.423 0.267 19425 3190 1 4 . 1 1 150 150 GLN H H 150 9.115 9.115 8.651 0.464 19425 3191 1 4 . 1 1 151 151 GLU N N 151 121.344 121.344 123.783 -2.439 19425 3192 1 4 . 1 1 151 151 GLU C C 151 175.333 175.333 176.000 -0.667 19425 3193 1 4 . 1 1 151 151 GLU CA C 151 59.140 59.140 58.340 0.800 19425 3194 1 4 . 1 1 151 151 GLU CB C 151 30.735 30.735 29.974 0.761 19425 3195 1 4 . 1 1 151 151 GLU H H 151 9.142 9.142 8.763 0.379 19425 3196 1 4 . 1 1 152 152 ASP N N 152 117.494 117.494 118.452 -0.958 19425 3197 1 4 . 1 1 152 152 ASP C C 152 176.391 176.391 176.505 -0.114 19425 3198 1 4 . 1 1 152 152 ASP CA C 152 54.139 54.139 54.504 -0.365 19425 3199 1 4 . 1 1 152 152 ASP CB C 152 41.920 41.920 41.597 0.323 19425 3200 1 4 . 1 1 152 152 ASP H H 152 8.023 8.023 8.065 -0.042 19425 3201 1 4 . 1 1 153 153 THR N N 153 111.969 111.969 108.452 3.517 19425 3202 1 4 . 1 1 153 153 THR C C 153 175.964 175.964 174.720 1.244 19425 3203 1 4 . 1 1 153 153 THR CA C 153 61.894 61.894 62.040 -0.146 19425 3204 1 4 . 1 1 153 153 THR CB C 153 68.903 68.903 69.307 -0.404 19425 3205 1 4 . 1 1 153 153 THR H H 153 7.985 7.985 8.120 -0.135 19425 3206 1 4 . 1 1 154 154 THR N N 154 113.978 113.978 113.567 0.411 19425 3207 1 4 . 1 1 154 154 THR C C 154 175.000 175.000 174.753 0.247 19425 3208 1 4 . 1 1 154 154 THR CA C 154 62.359 62.359 63.159 -0.800 19425 3209 1 4 . 1 1 154 154 THR CB C 154 69.210 69.210 68.425 0.785 19425 3210 1 4 . 1 1 154 154 THR H H 154 7.790 7.790 7.691 0.099 19425 3211 1 4 . 1 1 155 155 GLY N N 155 108.411 108.411 114.432 -6.021 19425 3212 1 4 . 1 1 155 155 GLY C C 155 174.702 174.702 172.663 2.039 19425 3213 1 4 . 1 1 155 155 GLY CA C 155 44.737 44.737 44.731 0.006 19425 3214 1 4 . 1 1 155 155 GLY H H 155 7.639 7.639 8.067 -0.428 19425 3215 1 4 . 1 1 156 156 GLU N N 156 118.666 118.666 120.924 -2.258 19425 3216 1 4 . 1 1 156 156 GLU C C 156 173.571 173.571 177.827 -4.256 19425 3217 1 4 . 1 1 156 156 GLU CA C 156 59.352 59.352 56.903 2.449 19425 3218 1 4 . 1 1 156 156 GLU CB C 156 31.248 31.248 30.385 0.863 19425 3219 1 4 . 1 1 156 156 GLU H H 156 8.606 8.606 8.686 -0.080 19425 3220 1 4 . 1 1 157 157 ALA N N 157 118.664 118.664 124.010 -5.346 19425 3221 1 4 . 1 1 157 157 ALA C C 157 177.727 177.727 178.447 -0.720 19425 3222 1 4 . 1 1 157 157 ALA CA C 157 55.063 55.063 54.557 0.506 19425 3223 1 4 . 1 1 157 157 ALA CB C 157 18.856 18.856 18.225 0.631 19425 3224 1 4 . 1 1 157 157 ALA H H 157 8.159 8.159 8.464 -0.305 19425 3225 1 4 . 1 1 158 158 CYS N N 158 114.681 114.681 114.705 -0.024 19425 3226 1 4 . 1 1 158 158 CYS C C 158 179.972 179.972 173.610 6.362 19425 3227 1 4 . 1 1 158 158 CYS CA C 158 57.585 57.585 58.680 -1.095 19425 3228 1 4 . 1 1 158 158 CYS CB C 158 27.977 27.977 26.800 1.177 19425 3229 1 4 . 1 1 158 158 CYS H H 158 7.973 7.973 8.250 -0.277 19425 3230 1 4 . 1 1 165 165 ALA N N 165 122.416 122.416 128.540 -6.124 19425 3231 1 4 . 1 1 165 165 ALA C C 165 176.743 176.743 177.671 -0.928 19425 3232 1 4 . 1 1 165 165 ALA CA C 165 52.390 52.390 53.764 -1.374 19425 3233 1 4 . 1 1 165 165 ALA CB C 165 20.486 20.486 19.289 1.197 19425 3234 1 4 . 1 1 165 165 ALA H H 165 8.190 8.190 8.618 -0.428 19425 3235 1 4 . 1 1 166 166 SER N N 166 111.681 111.681 113.715 -2.034 19425 3236 1 4 . 1 1 166 166 SER C C 166 176.876 176.876 174.150 2.726 19425 3237 1 4 . 1 1 166 166 SER CA C 166 56.863 56.863 57.497 -0.634 19425 3238 1 4 . 1 1 166 166 SER CB C 166 65.738 65.738 65.127 0.611 19425 3239 1 4 . 1 1 166 166 SER H H 166 7.690 7.690 7.635 0.055 19425 3240 1 4 . 1 1 167 167 LYS N N 167 121.655 121.655 118.864 2.791 19425 3241 1 4 . 1 1 167 167 LYS C C 167 175.241 175.241 177.334 -2.093 19425 3242 1 4 . 1 1 167 167 LYS CA C 167 55.297 55.297 56.893 -1.596 19425 3243 1 4 . 1 1 167 167 LYS CB C 167 31.364 31.364 32.517 -1.153 19425 3244 1 4 . 1 1 167 167 LYS H H 167 8.230 8.230 8.478 -0.248 19425 3245 1 4 . 1 1 168 168 GLN N N 168 117.832 117.832 117.393 0.439 19425 3246 1 4 . 1 1 168 168 GLN C C 168 176.836 176.836 176.607 0.229 19425 3247 1 4 . 1 1 168 168 GLN CA C 168 57.366 57.366 57.392 -0.026 19425 3248 1 4 . 1 1 168 168 GLN CB C 168 28.979 28.979 29.049 -0.070 19425 3249 1 4 . 1 1 168 168 GLN H H 168 8.134 8.134 7.707 0.427 19425 3250 1 4 . 1 1 169 169 ARG N N 169 117.052 117.052 118.983 -1.931 19425 3251 1 4 . 1 1 169 169 ARG C C 169 175.946 175.946 175.146 0.800 19425 3252 1 4 . 1 1 169 169 ARG CA C 169 52.885 52.885 54.761 -1.876 19425 3253 1 4 . 1 1 169 169 ARG CB C 169 32.795 32.795 30.860 1.935 19425 3254 1 4 . 1 1 169 169 ARG H H 169 7.209 7.209 7.679 -0.470 19425 3255 1 4 . 1 1 170 170 SER N N 170 114.335 114.335 114.529 -0.194 19425 3256 1 4 . 1 1 170 170 SER C C 170 174.387 174.387 173.687 0.700 19425 3257 1 4 . 1 1 170 170 SER CA C 170 56.976 56.976 56.735 0.241 19425 3258 1 4 . 1 1 170 170 SER CB C 170 66.348 66.348 66.787 -0.439 19425 3259 1 4 . 1 1 170 170 SER H H 170 8.279 8.279 8.435 -0.156 19425 3260 1 4 . 1 1 171 171 GLU N N 171 121.428 121.428 121.741 -0.313 19425 3261 1 4 . 1 1 171 171 GLU C C 171 173.293 173.293 177.668 -4.375 19425 3262 1 4 . 1 1 171 171 GLU CA C 171 58.658 58.658 56.861 1.797 19425 3263 1 4 . 1 1 171 171 GLU CB C 171 28.693 28.693 28.684 0.009 19425 3264 1 4 . 1 1 171 171 GLU H H 171 8.540 8.540 8.545 -0.005 19425 3265 1 4 . 1 1 172 172 GLY N N 172 113.162 113.162 114.720 -1.558 19425 3266 1 4 . 1 1 172 172 GLY C C 172 177.504 177.504 174.356 3.148 19425 3267 1 4 . 1 1 172 172 GLY CA C 172 45.452 45.452 44.941 0.511 19425 3268 1 4 . 1 1 172 172 GLY H H 172 8.676 8.676 9.089 -0.413 19425 3269 1 4 . 1 1 173 173 GLU N N 173 119.545 119.545 121.168 -1.623 19425 3270 1 4 . 1 1 173 173 GLU C C 173 173.311 173.311 176.057 -2.746 19425 3271 1 4 . 1 1 173 173 GLU CA C 173 55.689 55.689 56.222 -0.533 19425 3272 1 4 . 1 1 173 173 GLU CB C 173 31.204 31.204 30.961 0.243 19425 3273 1 4 . 1 1 173 173 GLU H H 173 7.805 7.805 7.833 -0.028 19425 3274 1 4 . 1 1 174 174 LYS N N 174 120.834 120.834 121.398 -0.564 19425 3275 1 4 . 1 1 174 174 LYS C C 174 175.352 175.352 176.830 -1.478 19425 3276 1 4 . 1 1 174 174 LYS CA C 174 57.207 57.207 56.788 0.419 19425 3277 1 4 . 1 1 174 174 LYS CB C 174 34.185 34.185 32.804 1.381 19425 3278 1 4 . 1 1 174 174 LYS H H 174 8.215 8.215 8.451 -0.236 19425 3279 1 4 . 1 1 175 175 VAL N N 175 122.529 122.529 125.071 -2.542 19425 3280 1 4 . 1 1 175 175 VAL C C 175 176.595 176.595 175.242 1.353 19425 3281 1 4 . 1 1 175 175 VAL CA C 175 63.046 63.046 61.986 1.060 19425 3282 1 4 . 1 1 175 175 VAL CB C 175 31.265 31.265 32.183 -0.918 19425 3283 1 4 . 1 1 175 175 VAL H H 175 7.914 7.914 8.620 -0.706 19425 3284 1 4 . 1 1 176 176 ARG N N 176 127.622 127.622 127.639 -0.017 19425 3285 1 4 . 1 1 176 176 ARG C C 176 175.742 175.742 176.575 -0.833 19425 3286 1 4 . 1 1 176 176 ARG CA C 176 55.767 55.767 54.714 1.053 19425 3287 1 4 . 1 1 176 176 ARG CB C 176 30.480 30.480 31.856 -1.376 19425 3288 1 4 . 1 1 176 176 ARG H H 176 7.570 7.570 8.302 -0.732 19425 3289 1 4 . 1 1 177 177 VAL N N 177 122.521 122.521 123.466 -0.945 19425 3290 1 4 . 1 1 177 177 VAL C C 177 177.523 177.523 176.854 0.669 19425 3291 1 4 . 1 1 177 177 VAL CA C 177 65.322 65.322 64.620 0.702 19425 3292 1 4 . 1 1 177 177 VAL CB C 177 31.431 31.431 31.375 0.056 19425 3293 1 4 . 1 1 177 177 VAL H H 177 8.276 8.276 8.160 0.116 19425 3294 1 4 . 1 1 179 179 ASP N N 179 122.577 122.577 123.124 -0.547 19425 3295 1 4 . 1 1 179 179 ASP C C 179 174.554 174.554 175.633 -1.079 19425 3296 1 4 . 1 1 179 179 ASP CA C 179 54.687 54.687 54.823 -0.136 19425 3297 1 4 . 1 1 179 179 ASP CB C 179 40.417 40.417 41.435 -1.018 19425 3298 1 4 . 1 1 179 179 ASP H H 179 7.848 7.848 7.956 -0.108 19425 3299 1 4 . 1 1 180 180 ASP N N 180 121.916 121.916 123.554 -1.638 19425 3300 1 4 . 1 1 180 180 ASP C C 180 174.610 174.610 175.889 -1.279 19425 3301 1 4 . 1 1 180 180 ASP CA C 180 54.379 54.379 54.682 -0.303 19425 3302 1 4 . 1 1 180 180 ASP CB C 180 42.178 42.178 40.936 1.242 19425 3303 1 4 . 1 1 180 180 ASP H H 180 8.521 8.521 8.506 0.015 19425 3304 1 4 . 1 1 181 181 LEU N N 181 121.499 121.499 123.613 -2.114 19425 3305 1 4 . 1 1 181 181 LEU C C 181 175.166 175.166 176.692 -1.526 19425 3306 1 4 . 1 1 181 181 LEU CA C 181 54.379 54.379 53.726 0.653 19425 3307 1 4 . 1 1 181 181 LEU CB C 181 45.395 45.395 44.552 0.843 19425 3308 1 4 . 1 1 181 181 LEU H H 181 9.782 9.782 9.148 0.634 19425 3309 1 4 . 1 1 185 185 SER N N 185 122.939 122.939 122.331 0.608 19425 3310 1 4 . 1 1 185 185 SER C C 185 175.871 175.871 175.663 0.208 19425 3311 1 4 . 1 1 185 185 SER CA C 185 57.514 57.514 58.101 -0.587 19425 3312 1 4 . 1 1 185 185 SER CB C 185 62.772 62.772 63.030 -0.258 19425 3313 1 4 . 1 1 185 185 SER H H 185 9.183 9.183 9.022 0.161 19425 3314 1 4 . 1 1 186 186 VAL N N 186 131.799 131.799 127.481 4.318 19425 3315 1 4 . 1 1 186 186 VAL C C 186 177.226 177.226 177.202 0.024 19425 3316 1 4 . 1 1 186 186 VAL CA C 186 65.883 65.883 65.776 0.107 19425 3317 1 4 . 1 1 186 186 VAL CB C 186 31.190 31.190 31.570 -0.380 19425 3318 1 4 . 1 1 186 186 VAL H H 186 8.285 8.285 8.159 0.126 19425 3319 1 4 . 1 1 187 187 SER N N 187 110.228 110.228 114.290 -4.062 19425 3320 1 4 . 1 1 187 187 SER C C 187 177.077 177.077 175.628 1.449 19425 3321 1 4 . 1 1 187 187 SER CA C 187 60.200 60.200 60.230 -0.030 19425 3322 1 4 . 1 1 187 187 SER CB C 187 62.264 62.264 63.668 -1.404 19425 3323 1 4 . 1 1 187 187 SER H H 187 7.000 7.000 8.056 -1.056 19425 3324 1 4 . 1 1 188 188 SER N N 188 115.022 115.022 115.781 -0.759 19425 3325 1 4 . 1 1 188 188 SER C C 188 176.632 176.632 173.355 3.277 19425 3326 1 4 . 1 1 188 188 SER CA C 188 58.889 58.889 58.488 0.401 19425 3327 1 4 . 1 1 188 188 SER CB C 188 66.818 66.818 64.224 2.594 19425 3328 1 4 . 1 1 188 188 SER H H 188 7.886 7.886 7.484 0.402 19425 3329 1 4 . 1 1 189 189 GLU N N 189 118.477 118.477 118.333 0.144 19425 3330 1 4 . 1 1 189 189 GLU C C 189 175.000 175.000 174.751 0.249 19425 3331 1 4 . 1 1 189 189 GLU CA C 189 58.562 58.562 58.061 0.501 19425 3332 1 4 . 1 1 189 189 GLU CB C 189 27.420 27.420 27.239 0.181 19425 3333 1 4 . 1 1 189 189 GLU H H 189 7.929 7.929 8.373 -0.444 19425 3334 1 4 . 1 1 190 190 ARG N N 190 116.828 116.828 117.572 -0.744 19425 3335 1 4 . 1 1 190 190 ARG C C 190 173.868 173.868 175.915 -2.047 19425 3336 1 4 . 1 1 190 190 ARG CA C 190 54.238 54.238 54.537 -0.299 19425 3337 1 4 . 1 1 190 190 ARG CB C 190 32.141 32.141 32.980 -0.840 19425 3338 1 4 . 1 1 190 190 ARG H H 190 6.723 6.723 8.087 -1.364 19425 3339 1 4 . 1 1 191 191 TYR N N 191 118.733 118.733 121.393 -2.660 19425 3340 1 4 . 1 1 191 191 TYR C C 191 174.368 174.368 177.321 -2.953 19425 3341 1 4 . 1 1 191 191 TYR CA C 191 57.405 57.405 58.674 -1.269 19425 3342 1 4 . 1 1 191 191 TYR CB C 191 39.444 39.444 39.440 0.004 19425 3343 1 4 . 1 1 191 191 TYR H H 191 8.912 8.912 9.006 -0.094 19425 3344 1 4 . 1 1 192 192 LEU N N 192 123.460 123.460 124.559 -1.099 19425 3345 1 4 . 1 1 192 192 LEU C C 192 176.753 176.753 176.085 0.668 19425 3346 1 4 . 1 1 192 192 LEU CA C 192 57.061 57.061 54.255 2.806 19425 3347 1 4 . 1 1 192 192 LEU CB C 192 41.351 41.351 40.630 0.721 19425 3348 1 4 . 1 1 192 192 LEU H H 192 8.836 8.836 8.773 0.063 19425 3349 1 4 . 1 1 193 193 HIS N N 193 134.195 134.195 125.436 8.759 19425 3350 1 4 . 1 1 193 193 HIS C C 193 178.766 178.766 174.377 4.389 19425 3351 1 4 . 1 1 193 193 HIS CA C 193 56.349 56.349 55.999 0.350 19425 3352 1 4 . 1 1 193 193 HIS CB C 193 31.613 31.613 31.890 -0.277 19425 3353 1 4 . 1 1 193 193 HIS H H 193 10.227 10.227 8.902 1.325 19425 3354 1 4 . 1 1 194 194 LEU N N 194 128.500 128.500 127.206 1.294 19425 3355 1 4 . 1 1 194 194 LEU C C 194 170.268 170.268 175.210 -4.942 19425 3356 1 4 . 1 1 194 194 LEU CA C 194 54.139 54.139 53.932 0.207 19425 3357 1 4 . 1 1 194 194 LEU CB C 194 44.036 44.036 43.242 0.794 19425 3358 1 4 . 1 1 194 194 LEU H H 194 7.784 7.784 7.793 -0.009 19425 3359 1 4 . 1 1 195 195 SER N N 195 122.195 122.195 122.228 -0.033 19425 3360 1 4 . 1 1 195 195 SER C C 195 174.740 174.740 173.270 1.470 19425 3361 1 4 . 1 1 195 195 SER CA C 195 56.814 56.814 56.249 0.565 19425 3362 1 4 . 1 1 195 195 SER CB C 195 66.260 66.260 66.051 0.209 19425 3363 1 4 . 1 1 195 195 SER H H 195 9.042 9.042 8.990 0.052 19425 3364 1 4 . 1 1 196 196 TYR N N 196 124.809 124.809 129.343 -4.534 19425 3365 1 4 . 1 1 196 196 TYR C C 196 172.439 172.439 175.273 -2.834 19425 3366 1 4 . 1 1 196 196 TYR CA C 196 57.019 57.019 56.631 0.388 19425 3367 1 4 . 1 1 196 196 TYR CB C 196 39.817 39.817 38.868 0.949 19425 3368 1 4 . 1 1 196 196 TYR H H 196 8.657 8.657 8.854 -0.197 19425 3369 1 4 . 1 1 197 197 GLY N N 197 114.111 114.111 114.736 -0.625 19425 3370 1 4 . 1 1 197 197 GLY C C 197 176.113 176.113 173.917 2.196 19425 3371 1 4 . 1 1 197 197 GLY CA C 197 45.492 45.492 44.387 1.105 19425 3372 1 4 . 1 1 197 197 GLY H H 197 8.030 8.030 8.135 -0.105 19425 3373 1 4 . 1 1 200 200 SER N N 200 113.158 113.158 115.637 -2.479 19425 3374 1 4 . 1 1 200 200 SER C C 200 172.661 172.661 171.981 0.680 19425 3375 1 4 . 1 1 200 200 SER CA C 200 56.890 56.890 56.247 0.643 19425 3376 1 4 . 1 1 200 200 SER CB C 200 65.522 65.522 65.199 0.323 19425 3377 1 4 . 1 1 200 200 SER H H 200 6.893 6.893 7.151 -0.258 19425 3378 1 4 . 1 1 201 201 TRP N N 201 122.521 122.521 119.761 2.760 19425 3379 1 4 . 1 1 201 201 TRP C C 201 171.813 171.813 175.990 -4.177 19425 3380 1 4 . 1 1 201 201 TRP CA C 201 56.990 56.990 56.041 0.949 19425 3381 1 4 . 1 1 201 201 TRP CB C 201 31.501 31.501 31.924 -0.423 19425 3382 1 4 . 1 1 201 201 TRP H H 201 8.243 8.243 8.150 0.093 19425 3383 1 4 . 1 1 202 202 HIS N N 202 121.171 121.171 118.580 2.591 19425 3384 1 4 . 1 1 202 202 HIS C C 202 173.805 173.805 173.666 0.139 19425 3385 1 4 . 1 1 202 202 HIS CA C 202 55.169 55.169 54.819 0.350 19425 3386 1 4 . 1 1 202 202 HIS CB C 202 32.254 32.254 34.077 -1.823 19425 3387 1 4 . 1 1 202 202 HIS H H 202 9.383 9.383 9.347 0.036 19425 3388 1 4 . 1 1 203 203 VAL N N 203 119.943 119.943 121.489 -1.546 19425 3389 1 4 . 1 1 203 203 VAL C C 203 172.439 172.439 174.509 -2.070 19425 3390 1 4 . 1 1 203 203 VAL CA C 203 58.683 58.683 59.697 -1.014 19425 3391 1 4 . 1 1 203 203 VAL CB C 203 33.957 33.957 34.606 -0.649 19425 3392 1 4 . 1 1 203 203 VAL H H 203 8.649 8.649 8.847 -0.198 19425 3393 1 4 . 1 1 204 204 ASP N N 204 127.907 127.907 125.967 1.940 19425 3394 1 4 . 1 1 204 204 ASP C C 204 173.162 173.162 173.776 -0.614 19425 3395 1 4 . 1 1 204 204 ASP CA C 204 53.545 53.545 52.980 0.565 19425 3396 1 4 . 1 1 204 204 ASP CB C 204 42.169 42.169 44.205 -2.036 19425 3397 1 4 . 1 1 204 204 ASP H H 204 9.822 9.822 9.018 0.804 19425 3398 1 4 . 1 1 205 205 ALA N N 205 121.047 121.047 121.165 -0.118 19425 3399 1 4 . 1 1 205 205 ALA C C 205 172.754 172.754 176.238 -3.484 19425 3400 1 4 . 1 1 205 205 ALA CA C 205 50.147 50.147 50.611 -0.464 19425 3401 1 4 . 1 1 205 205 ALA CB C 205 19.642 19.642 19.424 0.218 19425 3402 1 4 . 1 1 205 205 ALA H H 205 9.176 9.176 8.433 0.743 19425 3403 1 4 . 1 1 206 206 ALA N N 206 127.318 127.318 126.313 1.005 19425 3404 1 4 . 1 1 206 206 ALA C C 206 176.465 176.465 175.916 0.549 19425 3405 1 4 . 1 1 206 206 ALA CA C 206 50.609 50.609 50.240 0.369 19425 3406 1 4 . 1 1 206 206 ALA CB C 206 23.819 23.819 21.804 2.015 19425 3407 1 4 . 1 1 206 206 ALA H H 206 9.088 9.088 8.011 1.077 19425 3408 1 4 . 1 1 207 207 PHE N N 207 117.878 117.878 117.010 0.868 19425 3409 1 4 . 1 1 207 207 PHE C C 207 176.576 176.576 175.737 0.839 19425 3410 1 4 . 1 1 207 207 PHE CA C 207 59.714 59.714 58.644 1.070 19425 3411 1 4 . 1 1 207 207 PHE CB C 207 38.239 38.239 38.645 -0.406 19425 3412 1 4 . 1 1 207 207 PHE H H 207 8.953 8.953 8.406 0.547 19425 3413 1 4 . 1 1 208 208 GLN N N 208 117.531 117.531 117.129 0.402 19425 3414 1 4 . 1 1 208 208 GLN C C 208 175.166 175.166 175.264 -0.098 19425 3415 1 4 . 1 1 208 208 GLN CA C 208 55.096 55.096 54.022 1.074 19425 3416 1 4 . 1 1 208 208 GLN CB C 208 30.437 30.437 31.115 -0.678 19425 3417 1 4 . 1 1 208 208 GLN H H 208 6.613 6.613 7.736 -1.123 19425 3418 1 4 . 1 1 209 209 GLN N N 209 117.318 117.318 122.002 -4.684 19425 3419 1 4 . 1 1 209 209 GLN C C 209 173.162 173.162 175.689 -2.527 19425 3420 1 4 . 1 1 209 209 GLN CA C 209 56.217 56.217 56.902 -0.685 19425 3421 1 4 . 1 1 209 209 GLN CB C 209 29.912 29.912 29.427 0.485 19425 3422 1 4 . 1 1 209 209 GLN H H 209 8.108 8.108 8.306 -0.198 19425 3423 1 4 . 1 1 210 210 THR N N 210 116.616 116.616 113.564 3.052 19425 3424 1 4 . 1 1 210 210 THR C C 210 176.150 176.150 172.790 3.360 19425 3425 1 4 . 1 1 210 210 THR CA C 210 62.848 62.848 62.023 0.825 19425 3426 1 4 . 1 1 210 210 THR CB C 210 73.244 73.244 70.566 2.678 19425 3427 1 4 . 1 1 210 210 THR H H 210 6.641 6.641 8.316 -1.675 19425 3428 1 4 . 1 1 211 211 LEU N N 211 126.776 126.776 127.242 -0.466 19425 3429 1 4 . 1 1 211 211 LEU C C 211 171.418 171.418 175.710 -4.292 19425 3430 1 4 . 1 1 211 211 LEU CA C 211 55.012 55.012 54.824 0.188 19425 3431 1 4 . 1 1 211 211 LEU CB C 211 41.627 41.627 42.281 -0.654 19425 3432 1 4 . 1 1 211 211 LEU H H 211 8.418 8.418 8.413 0.005 19425 3433 1 4 . 1 1 212 212 TRP N N 212 124.678 124.678 124.595 0.083 19425 3434 1 4 . 1 1 212 212 TRP C C 212 175.742 175.742 175.984 -0.242 19425 3435 1 4 . 1 1 212 212 TRP CA C 212 56.052 56.052 55.575 0.477 19425 3436 1 4 . 1 1 212 212 TRP CB C 212 31.169 31.169 32.824 -1.655 19425 3437 1 4 . 1 1 212 212 TRP H H 212 9.462 9.462 9.186 0.276 19425 3438 1 4 . 1 1 213 213 SER N N 213 118.197 118.197 117.442 0.755 19425 3439 1 4 . 1 1 213 213 SER C C 213 175.575 175.575 174.056 1.519 19425 3440 1 4 . 1 1 213 213 SER CA C 213 57.141 57.141 56.207 0.934 19425 3441 1 4 . 1 1 213 213 SER CB C 213 64.800 64.800 63.093 1.707 19425 3442 1 4 . 1 1 213 213 SER H H 213 9.642 9.642 9.344 0.298 19425 3443 1 4 . 1 1 214 214 VAL N N 214 125.581 125.581 129.882 -4.301 19425 3444 1 4 . 1 1 214 214 VAL C C 214 174.183 174.183 174.613 -0.430 19425 3445 1 4 . 1 1 214 214 VAL CA C 214 61.398 61.398 61.931 -0.533 19425 3446 1 4 . 1 1 214 214 VAL CB C 214 32.502 32.502 31.593 0.909 19425 3447 1 4 . 1 1 214 214 VAL H H 214 8.433 8.433 8.529 -0.096 19425 3448 1 4 . 1 1 215 215 ALA N N 215 130.074 130.074 131.260 -1.186 19425 3449 1 4 . 1 1 215 215 ALA C C 215 174.647 174.647 174.301 0.346 19425 3450 1 4 . 1 1 215 215 ALA CA C 215 49.058 49.058 48.474 0.584 19425 3451 1 4 . 1 1 215 215 ALA CB C 215 20.299 20.299 20.397 -0.098 19425 3452 1 4 . 1 1 215 215 ALA H H 215 8.572 8.572 8.361 0.211 19425 3453 1 5 . 1 1 13 13 PHE N N 13 122.001 122.001 121.075 0.926 19425 3454 1 5 . 1 1 13 13 PHE C C 13 174.608 174.608 175.861 -1.253 19425 3455 1 5 . 1 1 13 13 PHE CA C 13 56.445 56.445 55.596 0.849 19425 3456 1 5 . 1 1 13 13 PHE CB C 13 41.650 41.650 41.943 -0.293 19425 3457 1 5 . 1 1 13 13 PHE H H 13 8.209 8.209 8.256 -0.047 19425 3458 1 5 . 1 1 14 14 LEU N N 14 122.475 122.475 123.730 -1.255 19425 3459 1 5 . 1 1 14 14 LEU C C 14 175.630 175.630 176.093 -0.463 19425 3460 1 5 . 1 1 14 14 LEU CA C 14 55.024 55.024 54.983 0.041 19425 3461 1 5 . 1 1 14 14 LEU CB C 14 43.987 43.987 42.019 1.968 19425 3462 1 5 . 1 1 14 14 LEU H H 14 8.264 8.264 8.969 -0.705 19425 3463 1 5 . 1 1 15 15 ARG N N 15 121.510 121.510 123.010 -1.500 19425 3464 1 5 . 1 1 15 15 ARG C C 15 175.630 175.630 177.277 -1.647 19425 3465 1 5 . 1 1 15 15 ARG CA C 15 54.007 54.007 52.770 1.237 19425 3466 1 5 . 1 1 15 15 ARG CB C 15 34.536 34.536 32.800 1.736 19425 3467 1 5 . 1 1 15 15 ARG H H 15 8.653 8.653 8.329 0.324 19425 3468 1 5 . 1 1 16 16 THR N N 16 110.840 110.840 114.017 -3.177 19425 3469 1 5 . 1 1 16 16 THR C C 16 175.946 175.946 175.282 0.664 19425 3470 1 5 . 1 1 16 16 THR CA C 16 62.950 62.950 63.417 -0.467 19425 3471 1 5 . 1 1 16 16 THR CB C 16 69.276 69.276 69.747 -0.471 19425 3472 1 5 . 1 1 16 16 THR H H 16 8.815 8.815 8.527 0.288 19425 3473 1 5 . 1 1 17 17 ASP N N 17 114.036 114.036 118.620 -4.584 19425 3474 1 5 . 1 1 17 17 ASP C C 17 175.686 175.686 174.908 0.778 19425 3475 1 5 . 1 1 17 17 ASP CA C 17 57.735 57.735 56.061 1.674 19425 3476 1 5 . 1 1 17 17 ASP CB C 17 39.928 39.928 40.024 -0.096 19425 3477 1 5 . 1 1 17 17 ASP H H 17 9.241 9.241 8.875 0.366 19425 3478 1 5 . 1 1 18 18 ASP N N 18 122.062 122.062 122.219 -0.157 19425 3479 1 5 . 1 1 18 18 ASP C C 18 175.946 175.946 175.749 0.197 19425 3480 1 5 . 1 1 18 18 ASP CA C 18 56.214 56.214 55.217 0.997 19425 3481 1 5 . 1 1 18 18 ASP CB C 18 40.985 40.985 41.408 -0.423 19425 3482 1 5 . 1 1 18 18 ASP H H 18 8.035 8.035 7.629 0.406 19425 3483 1 5 . 1 1 19 19 GLU N N 19 122.006 122.006 123.790 -1.784 19425 3484 1 5 . 1 1 19 19 GLU C C 19 175.055 175.055 176.074 -1.019 19425 3485 1 5 . 1 1 19 19 GLU CA C 19 55.262 55.262 56.382 -1.120 19425 3486 1 5 . 1 1 19 19 GLU CB C 19 30.712 30.712 30.490 0.222 19425 3487 1 5 . 1 1 19 19 GLU H H 19 8.274 8.274 8.621 -0.347 19425 3488 1 5 . 1 1 20 20 VAL N N 20 118.214 118.214 121.643 -3.429 19425 3489 1 5 . 1 1 20 20 VAL C C 20 176.855 176.855 173.680 3.175 19425 3490 1 5 . 1 1 20 20 VAL CA C 20 59.054 59.054 58.901 0.153 19425 3491 1 5 . 1 1 20 20 VAL CB C 20 36.780 36.780 36.298 0.481 19425 3492 1 5 . 1 1 20 20 VAL H H 20 9.779 9.779 9.218 0.561 19425 3493 1 5 . 1 1 21 21 VAL N N 21 115.443 115.443 115.299 0.144 19425 3494 1 5 . 1 1 21 21 VAL C C 21 173.830 173.830 173.969 -0.139 19425 3495 1 5 . 1 1 21 21 VAL CA C 21 60.308 60.308 59.340 0.968 19425 3496 1 5 . 1 1 21 21 VAL CB C 21 34.625 34.625 34.945 -0.320 19425 3497 1 5 . 1 1 21 21 VAL H H 21 8.167 8.167 8.501 -0.334 19425 3498 1 5 . 1 1 22 22 LEU N N 22 128.072 128.072 127.400 0.672 19425 3499 1 5 . 1 1 22 22 LEU C C 22 174.858 174.858 175.962 -1.104 19425 3500 1 5 . 1 1 22 22 LEU CA C 22 55.656 55.656 54.229 1.427 19425 3501 1 5 . 1 1 22 22 LEU CB C 22 42.545 42.545 42.042 0.502 19425 3502 1 5 . 1 1 22 22 LEU H H 22 10.103 10.103 8.913 1.190 19425 3503 1 5 . 1 1 23 23 GLN N N 23 120.609 120.609 123.151 -2.542 19425 3504 1 5 . 1 1 23 23 GLN C C 23 175.500 175.500 175.259 0.241 19425 3505 1 5 . 1 1 23 23 GLN CA C 23 53.710 53.710 54.036 -0.326 19425 3506 1 5 . 1 1 23 23 GLN CB C 23 33.697 33.697 33.396 0.301 19425 3507 1 5 . 1 1 23 23 GLN H H 23 9.119 9.119 8.727 0.392 19425 3508 1 5 . 1 1 24 24 CYS N N 24 118.659 118.659 116.798 1.861 19425 3509 1 5 . 1 1 24 24 CYS C C 24 174.443 174.443 173.571 0.872 19425 3510 1 5 . 1 1 24 24 CYS CA C 24 55.261 55.261 56.799 -1.538 19425 3511 1 5 . 1 1 24 24 CYS CB C 24 30.302 30.302 30.784 -0.482 19425 3512 1 5 . 1 1 24 24 CYS H H 24 8.993 8.993 9.113 -0.120 19425 3513 1 5 . 1 1 25 25 THR N N 25 116.266 116.266 119.764 -3.498 19425 3514 1 5 . 1 1 25 25 THR C C 25 172.457 172.457 173.761 -1.304 19425 3515 1 5 . 1 1 25 25 THR CA C 25 61.858 61.858 62.760 -0.902 19425 3516 1 5 . 1 1 25 25 THR CB C 25 70.271 70.271 69.309 0.962 19425 3517 1 5 . 1 1 25 25 THR H H 25 8.480 8.480 8.571 -0.091 19425 3518 1 5 . 1 1 26 26 ALA N N 26 129.739 129.739 131.289 -1.550 19425 3519 1 5 . 1 1 26 26 ALA C C 26 172.717 172.717 175.254 -2.537 19425 3520 1 5 . 1 1 26 26 ALA CA C 26 50.642 50.642 50.043 0.599 19425 3521 1 5 . 1 1 26 26 ALA CB C 26 21.315 21.315 19.813 1.502 19425 3522 1 5 . 1 1 26 26 ALA H H 26 8.590 8.590 8.692 -0.102 19425 3523 1 5 . 1 1 27 27 THR N N 27 116.574 116.574 118.769 -2.195 19425 3524 1 5 . 1 1 27 27 THR C C 27 173.181 173.181 173.760 -0.579 19425 3525 1 5 . 1 1 27 27 THR CA C 27 61.919 61.919 61.536 0.383 19425 3526 1 5 . 1 1 27 27 THR CB C 27 69.696 69.696 70.485 -0.789 19425 3527 1 5 . 1 1 27 27 THR H H 27 8.110 8.110 8.285 -0.175 19425 3528 1 5 . 1 1 28 28 ILE N N 28 126.342 126.342 125.450 0.892 19425 3529 1 5 . 1 1 28 28 ILE C C 28 173.793 173.793 174.466 -0.673 19425 3530 1 5 . 1 1 28 28 ILE CA C 28 60.407 60.407 61.486 -1.079 19425 3531 1 5 . 1 1 28 28 ILE CB C 28 39.536 39.536 40.440 -0.903 19425 3532 1 5 . 1 1 28 28 ILE H H 28 8.483 8.483 8.809 -0.326 19425 3533 1 5 . 1 1 29 29 HIS N N 29 126.364 126.364 125.737 0.627 19425 3534 1 5 . 1 1 29 29 HIS C C 29 175.259 175.259 174.263 0.996 19425 3535 1 5 . 1 1 29 29 HIS CA C 29 57.174 57.174 57.159 0.015 19425 3536 1 5 . 1 1 29 29 HIS CB C 29 28.029 28.029 28.308 -0.279 19425 3537 1 5 . 1 1 29 29 HIS H H 29 9.110 9.110 8.378 0.732 19425 3538 1 5 . 1 1 31 31 GLU N N 31 120.962 120.962 119.432 1.530 19425 3539 1 5 . 1 1 31 31 GLU C C 31 175.575 175.575 174.236 1.339 19425 3540 1 5 . 1 1 31 31 GLU CA C 31 55.394 55.394 55.358 0.036 19425 3541 1 5 . 1 1 31 31 GLU CB C 31 31.576 31.576 32.985 -1.409 19425 3542 1 5 . 1 1 31 31 GLU H H 31 8.047 8.047 7.759 0.288 19425 3543 1 5 . 1 1 32 32 GLN N N 32 123.171 123.171 123.524 -0.353 19425 3544 1 5 . 1 1 32 32 GLN C C 32 175.185 175.185 174.393 0.792 19425 3545 1 5 . 1 1 32 32 GLN CA C 32 54.496 54.496 54.713 -0.217 19425 3546 1 5 . 1 1 32 32 GLN CB C 32 30.054 30.054 31.779 -1.725 19425 3547 1 5 . 1 1 32 32 GLN H H 32 8.646 8.646 8.657 -0.011 19425 3548 1 5 . 1 1 33 33 GLN N N 33 123.530 123.530 121.042 2.488 19425 3549 1 5 . 1 1 33 33 GLN C C 33 175.667 175.667 173.478 2.189 19425 3550 1 5 . 1 1 33 33 GLN CA C 33 54.616 54.616 54.654 -0.038 19425 3551 1 5 . 1 1 33 33 GLN CB C 33 31.748 31.748 32.737 -0.989 19425 3552 1 5 . 1 1 33 33 GLN H H 33 8.839 8.839 8.897 -0.058 19425 3553 1 5 . 1 1 34 34 LYS N N 34 124.601 124.601 120.762 3.839 19425 3554 1 5 . 1 1 34 34 LYS C C 34 173.812 173.812 175.702 -1.890 19425 3555 1 5 . 1 1 34 34 LYS CA C 34 55.755 55.755 55.151 0.605 19425 3556 1 5 . 1 1 34 34 LYS CB C 34 32.712 32.712 35.233 -2.521 19425 3557 1 5 . 1 1 34 34 LYS H H 34 8.589 8.589 8.466 0.123 19425 3558 1 5 . 1 1 35 35 LEU N N 35 126.071 126.071 123.876 2.195 19425 3559 1 5 . 1 1 35 35 LEU C C 35 175.445 175.445 175.280 0.165 19425 3560 1 5 . 1 1 35 35 LEU CA C 35 53.347 53.347 53.267 0.080 19425 3561 1 5 . 1 1 35 35 LEU CB C 35 44.943 44.943 46.107 -1.164 19425 3562 1 5 . 1 1 35 35 LEU H H 35 8.794 8.794 8.672 0.122 19425 3563 1 5 . 1 1 36 36 CYS N N 36 118.373 118.373 121.603 -3.230 19425 3564 1 5 . 1 1 36 36 CYS C C 36 176.057 176.057 174.348 1.709 19425 3565 1 5 . 1 1 36 36 CYS CA C 36 57.174 57.174 56.708 0.466 19425 3566 1 5 . 1 1 36 36 CYS CB C 36 30.306 30.306 29.894 0.412 19425 3567 1 5 . 1 1 36 36 CYS H H 36 9.042 9.042 8.835 0.207 19425 3568 1 5 . 1 1 37 37 LEU N N 37 129.256 129.256 128.678 0.578 19425 3569 1 5 . 1 1 37 37 LEU C C 37 174.090 174.090 174.978 -0.888 19425 3570 1 5 . 1 1 37 37 LEU CA C 37 56.349 56.349 55.367 0.982 19425 3571 1 5 . 1 1 37 37 LEU CB C 37 42.689 42.689 42.330 0.360 19425 3572 1 5 . 1 1 37 37 LEU H H 37 8.811 8.811 8.929 -0.118 19425 3573 1 5 . 1 1 38 38 ALA N N 38 127.229 127.229 128.662 -1.433 19425 3574 1 5 . 1 1 38 38 ALA C C 38 174.517 174.517 175.171 -0.654 19425 3575 1 5 . 1 1 38 38 ALA CA C 38 50.609 50.609 49.383 1.226 19425 3576 1 5 . 1 1 38 38 ALA CB C 38 24.141 24.141 22.181 1.960 19425 3577 1 5 . 1 1 38 38 ALA H H 38 8.879 8.879 8.550 0.329 19425 3578 1 5 . 1 1 39 39 ALA N N 39 117.076 117.076 120.278 -3.202 19425 3579 1 5 . 1 1 39 39 ALA C C 39 174.665 174.665 174.780 -0.115 19425 3580 1 5 . 1 1 39 39 ALA CA C 39 51.500 51.500 51.649 -0.149 19425 3581 1 5 . 1 1 39 39 ALA CB C 39 20.996 20.996 21.463 -0.467 19425 3582 1 5 . 1 1 39 39 ALA H H 39 6.837 6.837 7.649 -0.812 19425 3583 1 5 . 1 1 40 40 GLU N N 40 119.966 119.966 118.523 1.443 19425 3584 1 5 . 1 1 40 40 GLU C C 40 176.205 176.205 175.628 0.577 19425 3585 1 5 . 1 1 40 40 GLU CA C 40 55.950 55.950 54.902 1.048 19425 3586 1 5 . 1 1 40 40 GLU CB C 40 31.836 31.836 32.458 -0.622 19425 3587 1 5 . 1 1 40 40 GLU H H 40 8.413 8.413 8.501 -0.088 19425 3588 1 5 . 1 1 41 41 GLY N N 41 108.646 108.646 108.400 0.246 19425 3589 1 5 . 1 1 41 41 GLY C C 41 176.892 176.892 173.363 3.529 19425 3590 1 5 . 1 1 41 41 GLY CA C 41 45.628 45.628 45.398 0.230 19425 3591 1 5 . 1 1 41 41 GLY H H 41 8.463 8.463 8.567 -0.104 19425 3592 1 5 . 1 1 43 43 GLY N N 43 109.557 109.557 113.785 -4.228 19425 3593 1 5 . 1 1 43 43 GLY C C 43 176.465 176.465 174.626 1.839 19425 3594 1 5 . 1 1 43 43 GLY CA C 43 45.397 45.397 45.630 -0.233 19425 3595 1 5 . 1 1 43 43 GLY H H 43 8.510 8.510 7.844 0.666 19425 3596 1 5 . 1 1 44 44 ASN N N 44 116.850 116.850 122.265 -5.415 19425 3597 1 5 . 1 1 44 44 ASN C C 44 173.830 173.830 175.328 -1.498 19425 3598 1 5 . 1 1 44 44 ASN CA C 44 54.184 54.184 52.677 1.507 19425 3599 1 5 . 1 1 44 44 ASN CB C 44 38.252 38.252 37.644 0.608 19425 3600 1 5 . 1 1 44 44 ASN H H 44 8.028 8.028 8.672 -0.644 19425 3601 1 5 . 1 1 45 45 ARG N N 45 118.226 118.226 114.460 3.766 19425 3602 1 5 . 1 1 45 45 ARG C C 45 174.072 174.072 174.777 -0.705 19425 3603 1 5 . 1 1 45 45 ARG CA C 45 56.077 56.077 57.185 -1.108 19425 3604 1 5 . 1 1 45 45 ARG CB C 45 31.231 31.231 27.024 4.207 19425 3605 1 5 . 1 1 45 45 ARG H H 45 7.759 7.759 7.512 0.247 19425 3606 1 5 . 1 1 46 46 LEU N N 46 124.643 124.643 119.738 4.905 19425 3607 1 5 . 1 1 46 46 LEU C C 46 176.447 176.447 177.003 -0.556 19425 3608 1 5 . 1 1 46 46 LEU CA C 46 54.667 54.667 54.328 0.339 19425 3609 1 5 . 1 1 46 46 LEU CB C 46 42.605 42.605 42.862 -0.257 19425 3610 1 5 . 1 1 46 46 LEU H H 46 8.695 8.695 8.002 0.693 19425 3611 1 5 . 1 1 47 47 CYS N N 47 119.241 119.241 121.178 -1.937 19425 3612 1 5 . 1 1 47 47 CYS C C 47 176.651 176.651 175.077 1.574 19425 3613 1 5 . 1 1 47 47 CYS CA C 47 55.885 55.885 59.204 -3.319 19425 3614 1 5 . 1 1 47 47 CYS CB C 47 31.112 31.112 26.591 4.521 19425 3615 1 5 . 1 1 47 47 CYS H H 47 9.007 9.007 8.550 0.457 19425 3616 1 5 . 1 1 48 48 PHE N N 48 114.081 114.081 118.728 -4.647 19425 3617 1 5 . 1 1 48 48 PHE C C 48 170.342 170.342 173.084 -2.742 19425 3618 1 5 . 1 1 48 48 PHE CA C 48 57.405 57.405 55.850 1.555 19425 3619 1 5 . 1 1 48 48 PHE CB C 48 43.263 43.263 40.207 3.056 19425 3620 1 5 . 1 1 48 48 PHE H H 48 8.647 8.647 8.529 0.118 19425 3621 1 5 . 1 1 49 49 LEU N N 49 122.287 122.287 119.150 3.137 19425 3622 1 5 . 1 1 49 49 LEU C C 49 176.236 176.236 176.122 0.114 19425 3623 1 5 . 1 1 49 49 LEU CA C 49 53.285 53.285 53.778 -0.493 19425 3624 1 5 . 1 1 49 49 LEU CB C 49 42.907 42.907 45.604 -2.697 19425 3625 1 5 . 1 1 49 49 LEU H H 49 9.108 9.108 8.829 0.279 19425 3626 1 5 . 1 1 50 50 GLU N N 50 123.206 123.206 122.651 0.555 19425 3627 1 5 . 1 1 50 50 GLU C C 50 177.671 177.671 175.635 2.036 19425 3628 1 5 . 1 1 50 50 GLU CA C 50 57.084 57.084 54.665 2.419 19425 3629 1 5 . 1 1 50 50 GLU CB C 50 30.123 30.123 33.116 -2.993 19425 3630 1 5 . 1 1 50 50 GLU H H 50 8.834 8.834 8.755 0.079 19425 3631 1 5 . 1 1 51 51 SER N N 51 118.500 118.500 121.418 -2.918 19425 3632 1 5 . 1 1 51 51 SER C C 51 176.706 176.706 175.135 1.571 19425 3633 1 5 . 1 1 51 51 SER CA C 51 58.560 58.560 58.335 0.225 19425 3634 1 5 . 1 1 51 51 SER CB C 51 63.979 63.979 64.251 -0.272 19425 3635 1 5 . 1 1 51 51 SER H H 51 8.461 8.461 8.813 -0.352 19425 3636 1 5 . 1 1 52 52 THR N N 52 116.205 116.205 113.695 2.510 19425 3637 1 5 . 1 1 52 52 THR C C 52 174.808 174.808 174.271 0.537 19425 3638 1 5 . 1 1 52 52 THR CA C 52 61.891 61.891 59.883 2.008 19425 3639 1 5 . 1 1 52 52 THR CB C 52 70.076 70.076 70.872 -0.796 19425 3640 1 5 . 1 1 52 52 THR H H 52 8.199 8.199 8.084 0.115 19425 3641 1 5 . 1 1 65 65 CYS N N 65 117.553 117.553 120.357 -2.804 19425 3642 1 5 . 1 1 65 65 CYS C C 65 176.948 176.948 174.298 2.650 19425 3643 1 5 . 1 1 65 65 CYS CA C 65 57.900 57.900 56.179 1.721 19425 3644 1 5 . 1 1 65 65 CYS CB C 65 30.290 30.290 27.245 3.045 19425 3645 1 5 . 1 1 65 65 CYS H H 65 7.539 7.539 7.727 -0.188 19425 3646 1 5 . 1 1 66 66 THR N N 66 113.614 113.614 119.617 -6.003 19425 3647 1 5 . 1 1 66 66 THR C C 66 180.325 180.325 173.313 7.012 19425 3648 1 5 . 1 1 66 66 THR CA C 66 63.399 63.399 63.474 -0.075 19425 3649 1 5 . 1 1 66 66 THR CB C 66 69.281 69.281 69.202 0.079 19425 3650 1 5 . 1 1 66 66 THR H H 66 6.851 6.851 7.137 -0.286 19425 3651 1 5 . 1 1 67 67 PHE N N 67 126.248 126.248 125.532 0.716 19425 3652 1 5 . 1 1 67 67 PHE C C 67 174.424 174.424 174.043 0.381 19425 3653 1 5 . 1 1 67 67 PHE CA C 67 56.184 56.184 56.747 -0.563 19425 3654 1 5 . 1 1 67 67 PHE CB C 67 43.291 43.291 44.241 -0.950 19425 3655 1 5 . 1 1 67 67 PHE H H 67 9.603 9.603 9.401 0.202 19425 3656 1 5 . 1 1 68 68 VAL N N 68 121.310 121.310 119.160 2.150 19425 3657 1 5 . 1 1 68 68 VAL C C 68 173.719 173.719 175.594 -1.875 19425 3658 1 5 . 1 1 68 68 VAL CA C 68 60.935 60.935 61.049 -0.114 19425 3659 1 5 . 1 1 68 68 VAL CB C 68 34.522 34.522 33.994 0.528 19425 3660 1 5 . 1 1 68 68 VAL H H 68 9.968 9.968 8.660 1.308 19425 3661 1 5 . 1 1 69 69 LEU N N 69 127.011 127.011 128.788 -1.777 19425 3662 1 5 . 1 1 69 69 LEU C C 69 177.152 177.152 177.839 -0.687 19425 3663 1 5 . 1 1 69 69 LEU CA C 69 53.083 53.083 54.546 -1.463 19425 3664 1 5 . 1 1 69 69 LEU CB C 69 39.652 39.652 39.290 0.362 19425 3665 1 5 . 1 1 69 69 LEU H H 69 8.135 8.135 8.694 -0.559 19425 3666 1 5 . 1 1 70 70 GLU N N 70 129.683 129.683 121.531 8.152 19425 3667 1 5 . 1 1 70 70 GLU C C 70 174.869 174.869 176.657 -1.788 19425 3668 1 5 . 1 1 70 70 GLU CA C 70 59.747 59.747 59.500 0.247 19425 3669 1 5 . 1 1 70 70 GLU CB C 70 31.291 31.291 29.966 1.325 19425 3670 1 5 . 1 1 70 70 GLU H H 70 8.654 8.654 8.371 0.283 19425 3671 1 5 . 1 1 71 71 GLN N N 71 110.287 110.287 116.587 -6.300 19425 3672 1 5 . 1 1 71 71 GLN C C 71 176.094 176.094 175.290 0.804 19425 3673 1 5 . 1 1 71 71 GLN CA C 71 54.030 54.030 54.378 -0.348 19425 3674 1 5 . 1 1 71 71 GLN CB C 71 33.112 33.112 32.772 0.340 19425 3675 1 5 . 1 1 71 71 GLN H H 71 7.318 7.318 7.540 -0.222 19425 3676 1 5 . 1 1 72 72 SER N N 72 116.205 116.205 117.371 -1.166 19425 3677 1 5 . 1 1 72 72 SER C C 72 174.035 174.035 173.540 0.495 19425 3678 1 5 . 1 1 72 72 SER CA C 72 58.132 58.132 58.366 -0.234 19425 3679 1 5 . 1 1 72 72 SER CB C 72 64.295 64.295 63.120 1.175 19425 3680 1 5 . 1 1 72 72 SER H H 72 8.380 8.380 8.747 -0.367 19425 3681 1 5 . 1 1 73 73 LEU N N 73 127.858 127.858 126.153 1.705 19425 3682 1 5 . 1 1 73 73 LEU C C 73 173.701 173.701 175.629 -1.928 19425 3683 1 5 . 1 1 73 73 LEU CA C 73 53.347 53.347 53.356 -0.009 19425 3684 1 5 . 1 1 73 73 LEU CB C 73 45.926 45.926 44.924 1.002 19425 3685 1 5 . 1 1 73 73 LEU H H 73 9.532 9.532 8.898 0.634 19425 3686 1 5 . 1 1 74 74 SER N N 74 115.724 115.724 114.444 1.280 19425 3687 1 5 . 1 1 74 74 SER C C 74 177.541 177.541 175.886 1.655 19425 3688 1 5 . 1 1 74 74 SER CA C 74 57.905 57.905 57.320 0.585 19425 3689 1 5 . 1 1 74 74 SER CB C 74 63.901 63.901 63.600 0.301 19425 3690 1 5 . 1 1 74 74 SER H H 74 8.240 8.240 8.143 0.097 19425 3691 1 5 . 1 1 75 75 VAL N N 75 122.994 122.994 126.875 -3.881 19425 3692 1 5 . 1 1 75 75 VAL C C 75 174.610 174.610 177.448 -2.838 19425 3693 1 5 . 1 1 75 75 VAL CA C 75 67.104 67.104 66.797 0.307 19425 3694 1 5 . 1 1 75 75 VAL CB C 75 30.953 30.953 31.101 -0.148 19425 3695 1 5 . 1 1 75 75 VAL H H 75 9.056 9.056 8.975 0.081 19425 3696 1 5 . 1 1 76 76 ARG N N 76 119.193 119.193 120.450 -1.257 19425 3697 1 5 . 1 1 76 76 ARG C C 76 178.228 178.228 178.112 0.116 19425 3698 1 5 . 1 1 76 76 ARG CA C 76 59.087 59.087 60.076 -0.989 19425 3699 1 5 . 1 1 76 76 ARG CB C 76 29.280 29.280 29.924 -0.644 19425 3700 1 5 . 1 1 76 76 ARG H H 76 8.137 8.137 7.628 0.509 19425 3701 1 5 . 1 1 77 77 ALA N N 77 122.977 122.977 120.306 2.671 19425 3702 1 5 . 1 1 77 77 ALA C C 77 178.506 178.506 179.737 -1.231 19425 3703 1 5 . 1 1 77 77 ALA CA C 77 54.926 54.926 54.772 0.154 19425 3704 1 5 . 1 1 77 77 ALA CB C 77 18.231 18.231 18.136 0.095 19425 3705 1 5 . 1 1 77 77 ALA H H 77 7.699 7.699 8.090 -0.391 19425 3706 1 5 . 1 1 78 78 LEU N N 78 121.115 121.115 120.157 0.958 19425 3707 1 5 . 1 1 78 78 LEU C C 78 180.640 180.640 178.381 2.259 19425 3708 1 5 . 1 1 78 78 LEU CA C 78 57.985 57.985 57.363 0.622 19425 3709 1 5 . 1 1 78 78 LEU CB C 78 40.522 40.522 41.239 -0.716 19425 3710 1 5 . 1 1 78 78 LEU H H 78 8.303 8.303 8.308 -0.005 19425 3711 1 5 . 1 1 79 79 GLN N N 79 116.873 116.873 117.363 -0.490 19425 3712 1 5 . 1 1 79 79 GLN C C 79 177.875 177.875 178.366 -0.491 19425 3713 1 5 . 1 1 79 79 GLN CA C 79 59.069 59.069 59.145 -0.076 19425 3714 1 5 . 1 1 79 79 GLN CB C 79 27.254 27.254 28.361 -1.107 19425 3715 1 5 . 1 1 79 79 GLN H H 79 8.390 8.390 8.200 0.190 19425 3716 1 5 . 1 1 80 80 GLU N N 80 120.455 120.455 120.769 -0.314 19425 3717 1 5 . 1 1 80 80 GLU C C 80 179.749 179.749 178.906 0.843 19425 3718 1 5 . 1 1 80 80 GLU CA C 80 59.413 59.413 59.293 0.120 19425 3719 1 5 . 1 1 80 80 GLU CB C 80 29.142 29.142 29.479 -0.337 19425 3720 1 5 . 1 1 80 80 GLU H H 80 7.942 7.942 7.950 -0.008 19425 3721 1 5 . 1 1 81 81 MET N N 81 120.541 120.541 118.238 2.303 19425 3722 1 5 . 1 1 81 81 MET C C 81 178.599 178.599 178.922 -0.323 19425 3723 1 5 . 1 1 81 81 MET CA C 81 59.665 59.665 59.263 0.402 19425 3724 1 5 . 1 1 81 81 MET CB C 81 32.534 32.534 32.877 -0.343 19425 3725 1 5 . 1 1 81 81 MET H H 81 7.870 7.870 8.073 -0.203 19425 3726 1 5 . 1 1 82 82 LEU N N 82 119.662 119.662 118.977 0.685 19425 3727 1 5 . 1 1 82 82 LEU C C 82 179.638 179.638 179.098 0.540 19425 3728 1 5 . 1 1 82 82 LEU CA C 82 57.669 57.669 56.969 0.700 19425 3729 1 5 . 1 1 82 82 LEU CB C 82 40.783 40.783 41.643 -0.860 19425 3730 1 5 . 1 1 82 82 LEU H H 82 8.488 8.488 8.030 0.458 19425 3731 1 5 . 1 1 83 83 ALA N N 83 120.827 120.827 120.787 0.040 19425 3732 1 5 . 1 1 83 83 ALA C C 83 179.323 179.323 179.862 -0.539 19425 3733 1 5 . 1 1 83 83 ALA CA C 83 54.073 54.073 54.778 -0.705 19425 3734 1 5 . 1 1 83 83 ALA CB C 83 18.326 18.326 18.140 0.186 19425 3735 1 5 . 1 1 83 83 ALA H H 83 7.704 7.704 8.015 -0.311 19425 3736 1 5 . 1 1 84 84 ASN N N 84 115.853 115.853 116.035 -0.182 19425 3737 1 5 . 1 1 84 84 ASN C C 84 178.944 178.944 176.932 2.012 19425 3738 1 5 . 1 1 84 84 ASN CA C 84 54.167 54.167 55.014 -0.847 19425 3739 1 5 . 1 1 84 84 ASN CB C 84 39.465 39.465 38.766 0.699 19425 3740 1 5 . 1 1 84 84 ASN H H 84 7.729 7.729 7.999 -0.270 19425 3741 1 5 . 1 1 85 85 THR N N 85 112.611 112.611 108.090 4.521 19425 3742 1 5 . 1 1 85 85 THR C C 85 175.569 175.569 175.212 0.357 19425 3743 1 5 . 1 1 85 85 THR CA C 85 63.086 63.086 62.191 0.895 19425 3744 1 5 . 1 1 85 85 THR CB C 85 70.071 70.071 68.883 1.188 19425 3745 1 5 . 1 1 85 85 THR H H 85 7.698 7.698 7.175 0.523 19425 3746 1 5 . 1 1 86 86 VAL N N 86 121.812 121.812 120.182 1.630 19425 3747 1 5 . 1 1 86 86 VAL C C 86 174.573 174.573 177.183 -2.610 19425 3748 1 5 . 1 1 86 86 VAL CA C 86 62.811 62.811 64.029 -1.218 19425 3749 1 5 . 1 1 86 86 VAL CB C 86 32.730 32.730 31.216 1.514 19425 3750 1 5 . 1 1 86 86 VAL H H 86 7.874 7.874 7.276 0.598 19425 3751 1 5 . 1 1 87 87 GLU N N 87 124.330 124.330 119.907 4.423 19425 3752 1 5 . 1 1 87 87 GLU C C 87 176.280 176.280 177.559 -1.279 19425 3753 1 5 . 1 1 87 87 GLU CA C 87 56.877 56.877 58.633 -1.756 19425 3754 1 5 . 1 1 87 87 GLU CB C 87 29.852 29.852 29.700 0.152 19425 3755 1 5 . 1 1 87 87 GLU H H 87 8.403 8.403 8.025 0.378 19425 3756 1 5 . 1 1 88 88 LYS N N 88 122.065 122.065 115.971 6.094 19425 3757 1 5 . 1 1 88 88 LYS C C 88 176.966 176.966 176.134 0.832 19425 3758 1 5 . 1 1 88 88 LYS CA C 88 56.799 56.799 56.249 0.550 19425 3759 1 5 . 1 1 88 88 LYS CB C 88 32.597 32.597 34.060 -1.463 19425 3760 1 5 . 1 1 88 88 LYS H H 88 8.330 8.330 8.598 -0.268 19425 3761 1 5 . 1 1 89 89 SER N N 89 116.192 116.192 112.295 3.897 19425 3762 1 5 . 1 1 89 89 SER C C 89 176.865 176.865 174.792 2.073 19425 3763 1 5 . 1 1 89 89 SER CA C 89 59.008 59.008 57.497 1.511 19425 3764 1 5 . 1 1 89 89 SER CB C 89 63.765 63.765 64.619 -0.854 19425 3765 1 5 . 1 1 89 89 SER H H 89 8.247 8.247 7.758 0.489 19425 3766 1 5 . 1 1 90 90 GLU N N 90 122.006 122.006 119.323 2.683 19425 3767 1 5 . 1 1 90 90 GLU C C 90 174.702 174.702 176.844 -2.142 19425 3768 1 5 . 1 1 90 90 GLU CA C 90 57.231 57.231 56.833 0.398 19425 3769 1 5 . 1 1 90 90 GLU CB C 90 29.442 29.442 29.545 -0.103 19425 3770 1 5 . 1 1 90 90 GLU H H 90 8.560 8.560 8.604 -0.044 19425 3771 1 5 . 1 1 91 91 GLY N N 91 110.052 110.052 109.915 0.137 19425 3772 1 5 . 1 1 91 91 GLY C C 91 177.170 177.170 174.676 2.494 19425 3773 1 5 . 1 1 91 91 GLY CA C 91 45.634 45.634 46.309 -0.675 19425 3774 1 5 . 1 1 91 91 GLY H H 91 8.358 8.358 8.395 -0.037 19425 3775 1 5 . 1 1 92 92 GLN N N 92 120.053 120.053 117.157 2.896 19425 3776 1 5 . 1 1 92 92 GLN C C 92 173.905 173.905 176.003 -2.098 19425 3777 1 5 . 1 1 92 92 GLN CA C 92 55.261 55.261 54.949 0.312 19425 3778 1 5 . 1 1 92 92 GLN CB C 92 29.573 29.573 29.153 0.420 19425 3779 1 5 . 1 1 92 92 GLN H H 92 8.075 8.075 8.469 -0.394 19425 3780 1 5 . 1 1 93 93 VAL N N 93 123.434 123.434 115.035 8.399 19425 3781 1 5 . 1 1 93 93 VAL C C 93 175.667 175.667 175.229 0.438 19425 3782 1 5 . 1 1 93 93 VAL CA C 93 62.914 62.914 60.833 2.081 19425 3783 1 5 . 1 1 93 93 VAL CB C 93 32.629 32.629 32.442 0.187 19425 3784 1 5 . 1 1 93 93 VAL H H 93 8.370 8.370 7.357 1.013 19425 3785 1 5 . 1 1 94 94 ASP N N 94 125.761 125.761 121.383 4.378 19425 3786 1 5 . 1 1 94 94 ASP C C 94 175.704 175.704 175.858 -0.154 19425 3787 1 5 . 1 1 94 94 ASP CA C 94 53.743 53.743 54.854 -1.111 19425 3788 1 5 . 1 1 94 94 ASP CB C 94 40.771 40.771 39.780 0.991 19425 3789 1 5 . 1 1 94 94 ASP H H 94 8.550 8.550 8.236 0.314 19425 3790 1 5 . 1 1 95 95 VAL N N 95 125.064 125.064 123.104 1.960 19425 3791 1 5 . 1 1 95 95 VAL C C 95 176.465 176.465 177.024 -0.559 19425 3792 1 5 . 1 1 95 95 VAL CA C 95 65.487 65.487 63.856 1.631 19425 3793 1 5 . 1 1 95 95 VAL CB C 95 31.773 31.773 31.323 0.450 19425 3794 1 5 . 1 1 95 95 VAL H H 95 8.300 8.300 7.663 0.637 19425 3795 1 5 . 1 1 96 96 GLU N N 96 120.880 120.880 122.059 -1.179 19425 3796 1 5 . 1 1 96 96 GLU C C 96 177.523 177.523 178.019 -0.496 19425 3797 1 5 . 1 1 96 96 GLU CA C 96 59.157 59.157 58.611 0.547 19425 3798 1 5 . 1 1 96 96 GLU CB C 96 28.575 28.575 29.358 -0.783 19425 3799 1 5 . 1 1 96 96 GLU H H 96 8.297 8.297 8.749 -0.452 19425 3800 1 5 . 1 1 97 97 LYS N N 97 121.943 121.943 119.042 2.901 19425 3801 1 5 . 1 1 97 97 LYS C C 97 179.434 179.434 178.850 0.584 19425 3802 1 5 . 1 1 97 97 LYS CA C 97 59.186 59.186 57.721 1.466 19425 3803 1 5 . 1 1 97 97 LYS CB C 97 32.036 32.036 32.177 -0.141 19425 3804 1 5 . 1 1 97 97 LYS H H 97 7.979 7.979 8.194 -0.215 19425 3805 1 5 . 1 1 98 98 TRP N N 98 121.420 121.420 122.135 -0.715 19425 3806 1 5 . 1 1 98 98 TRP C C 98 178.673 178.673 178.667 0.006 19425 3807 1 5 . 1 1 98 98 TRP CA C 98 60.176 60.176 59.981 0.195 19425 3808 1 5 . 1 1 98 98 TRP CB C 98 29.340 29.340 29.058 0.282 19425 3809 1 5 . 1 1 98 98 TRP H H 98 8.202 8.202 8.129 0.073 19425 3810 1 5 . 1 1 99 99 LYS N N 99 118.236 118.236 118.828 -0.592 19425 3811 1 5 . 1 1 99 99 LYS C C 99 177.374 177.374 178.556 -1.182 19425 3812 1 5 . 1 1 99 99 LYS CA C 99 59.812 59.812 59.526 0.285 19425 3813 1 5 . 1 1 99 99 LYS CB C 99 32.042 32.042 31.829 0.213 19425 3814 1 5 . 1 1 99 99 LYS H H 99 8.346 8.346 8.614 -0.268 19425 3815 1 5 . 1 1 100 100 PHE N N 100 120.365 120.365 120.835 -0.470 19425 3816 1 5 . 1 1 100 100 PHE C C 100 179.193 179.193 177.427 1.766 19425 3817 1 5 . 1 1 100 100 PHE CA C 100 60.902 60.902 61.351 -0.449 19425 3818 1 5 . 1 1 100 100 PHE CB C 100 38.875 38.875 39.188 -0.313 19425 3819 1 5 . 1 1 100 100 PHE H H 100 7.916 7.916 7.910 0.006 19425 3820 1 5 . 1 1 101 101 MET N N 101 121.837 121.837 120.341 1.496 19425 3821 1 5 . 1 1 101 101 MET C C 101 178.172 178.172 179.109 -0.937 19425 3822 1 5 . 1 1 101 101 MET CA C 101 58.625 58.625 57.952 0.673 19425 3823 1 5 . 1 1 101 101 MET CB C 101 32.081 32.081 31.846 0.235 19425 3824 1 5 . 1 1 101 101 MET H H 101 8.393 8.393 8.128 0.265 19425 3825 1 5 . 1 1 102 102 MET N N 102 119.901 119.901 118.829 1.072 19425 3826 1 5 . 1 1 102 102 MET C C 102 178.655 178.655 177.786 0.869 19425 3827 1 5 . 1 1 102 102 MET CA C 102 57.867 57.867 59.708 -1.841 19425 3828 1 5 . 1 1 102 102 MET CB C 102 32.414 32.414 32.594 -0.180 19425 3829 1 5 . 1 1 102 102 MET H H 102 8.174 8.174 8.672 -0.498 19425 3830 1 5 . 1 1 103 103 LYS N N 103 120.555 120.555 119.714 0.841 19425 3831 1 5 . 1 1 103 103 LYS C C 103 177.857 177.857 178.848 -0.991 19425 3832 1 5 . 1 1 103 103 LYS CA C 103 58.592 58.592 59.361 -0.769 19425 3833 1 5 . 1 1 103 103 LYS CB C 103 31.816 31.816 31.874 -0.058 19425 3834 1 5 . 1 1 103 103 LYS H H 103 7.899 7.899 8.062 -0.163 19425 3835 1 5 . 1 1 104 104 THR N N 104 115.450 115.450 116.059 -0.609 19425 3836 1 5 . 1 1 104 104 THR C C 104 179.267 179.267 176.717 2.550 19425 3837 1 5 . 1 1 104 104 THR CA C 104 64.914 64.914 66.768 -1.854 19425 3838 1 5 . 1 1 104 104 THR CB C 104 69.103 69.103 68.529 0.574 19425 3839 1 5 . 1 1 104 104 THR H H 104 7.895 7.895 8.130 -0.235 19425 3840 1 5 . 1 1 105 105 ALA N N 105 124.862 124.862 123.289 1.573 19425 3841 1 5 . 1 1 105 105 ALA C C 105 176.057 176.057 179.426 -3.369 19425 3842 1 5 . 1 1 105 105 ALA CA C 105 54.106 54.106 54.797 -0.691 19425 3843 1 5 . 1 1 105 105 ALA CB C 105 18.493 18.493 18.402 0.091 19425 3844 1 5 . 1 1 105 105 ALA H H 105 7.896 7.896 7.967 -0.071 19425 3845 1 5 . 1 1 106 106 GLN N N 106 117.285 117.285 117.707 -0.422 19425 3846 1 5 . 1 1 106 106 GLN C C 106 178.655 178.655 177.246 1.409 19425 3847 1 5 . 1 1 106 106 GLN CA C 106 56.913 56.913 57.451 -0.538 19425 3848 1 5 . 1 1 106 106 GLN CB C 106 29.148 29.148 30.066 -0.918 19425 3849 1 5 . 1 1 106 106 GLN H H 106 7.944 7.944 8.007 -0.063 19425 3850 1 5 . 1 1 107 107 GLY N N 107 107.494 107.494 104.864 2.630 19425 3851 1 5 . 1 1 107 107 GLY C C 107 177.597 177.597 173.820 3.777 19425 3852 1 5 . 1 1 107 107 GLY CA C 107 45.975 45.975 45.105 0.870 19425 3853 1 5 . 1 1 107 107 GLY H H 107 7.852 7.852 7.891 -0.039 19425 3854 1 5 . 1 1 108 108 GLY N N 108 109.642 109.642 109.026 0.616 19425 3855 1 5 . 1 1 108 108 GLY C C 108 174.740 174.740 175.028 -0.288 19425 3856 1 5 . 1 1 108 108 GLY CA C 108 45.151 45.151 44.965 0.186 19425 3857 1 5 . 1 1 108 108 GLY H H 108 8.313 8.313 8.218 0.095 19425 3858 1 5 . 1 1 109 109 GLY N N 109 108.058 108.058 108.998 -0.940 19425 3859 1 5 . 1 1 109 109 GLY C C 109 174.313 174.313 173.704 0.609 19425 3860 1 5 . 1 1 109 109 GLY CA C 109 44.659 44.659 44.514 0.145 19425 3861 1 5 . 1 1 109 109 GLY H H 109 8.059 8.059 7.448 0.611 19425 3862 1 5 . 1 1 110 110 HIS N N 110 118.432 118.432 118.012 0.420 19425 3863 1 5 . 1 1 110 110 HIS C C 110 173.348 173.348 174.557 -1.209 19425 3864 1 5 . 1 1 110 110 HIS CA C 110 55.590 55.590 55.539 0.051 19425 3865 1 5 . 1 1 110 110 HIS CB C 110 28.502 28.502 33.241 -4.739 19425 3866 1 5 . 1 1 110 110 HIS H H 110 8.261 8.261 8.345 -0.084 19425 3867 1 5 . 1 1 111 111 ARG N N 111 122.052 122.052 120.928 1.124 19425 3868 1 5 . 1 1 111 111 ARG C C 111 174.908 174.908 174.571 0.337 19425 3869 1 5 . 1 1 111 111 ARG CA C 111 55.233 55.233 55.097 0.136 19425 3870 1 5 . 1 1 111 111 ARG CB C 111 31.125 31.125 32.637 -1.512 19425 3871 1 5 . 1 1 111 111 ARG H H 111 8.597 8.597 8.941 -0.344 19425 3872 1 5 . 1 1 112 112 THR N N 112 120.248 120.248 118.057 2.191 19425 3873 1 5 . 1 1 112 112 THR C C 112 176.447 176.447 174.569 1.878 19425 3874 1 5 . 1 1 112 112 THR CA C 112 63.723 63.723 63.025 0.698 19425 3875 1 5 . 1 1 112 112 THR CB C 112 68.984 68.984 69.429 -0.445 19425 3876 1 5 . 1 1 112 112 THR H H 112 8.577 8.577 8.404 0.173 19425 3877 1 5 . 1 1 113 113 LEU N N 113 130.382 130.382 126.462 3.920 19425 3878 1 5 . 1 1 113 113 LEU C C 113 174.294 174.294 175.361 -1.067 19425 3879 1 5 . 1 1 113 113 LEU CA C 113 56.791 56.791 54.917 1.874 19425 3880 1 5 . 1 1 113 113 LEU CB C 113 41.705 41.705 42.685 -0.980 19425 3881 1 5 . 1 1 113 113 LEU H H 113 8.515 8.515 8.837 -0.322 19425 3882 1 5 . 1 1 114 114 LEU N N 114 118.829 118.829 122.417 -3.588 19425 3883 1 5 . 1 1 114 114 LEU C C 114 175.278 175.278 176.656 -1.378 19425 3884 1 5 . 1 1 114 114 LEU CA C 114 51.667 51.667 52.559 -0.892 19425 3885 1 5 . 1 1 114 114 LEU CB C 114 42.454 42.454 44.150 -1.696 19425 3886 1 5 . 1 1 114 114 LEU H H 114 6.454 6.454 8.173 -1.719 19425 3887 1 5 . 1 1 115 115 TYR N N 115 119.059 119.059 121.580 -2.521 19425 3888 1 5 . 1 1 115 115 TYR C C 115 177.152 177.152 177.201 -0.049 19425 3889 1 5 . 1 1 115 115 TYR CA C 115 62.452 62.452 60.686 1.766 19425 3890 1 5 . 1 1 115 115 TYR CB C 115 38.058 38.058 37.777 0.281 19425 3891 1 5 . 1 1 115 115 TYR H H 115 8.797 8.797 8.695 0.102 19425 3892 1 5 . 1 1 116 116 GLY N N 116 115.795 115.795 113.623 2.172 19425 3893 1 5 . 1 1 116 116 GLY C C 116 178.061 178.061 173.912 4.149 19425 3894 1 5 . 1 1 116 116 GLY CA C 116 45.100 45.100 45.013 0.087 19425 3895 1 5 . 1 1 116 116 GLY H H 116 9.672 9.672 9.070 0.602 19425 3896 1 5 . 1 1 117 117 HIS N N 117 122.193 122.193 121.568 0.625 19425 3897 1 5 . 1 1 117 117 HIS C C 117 175.463 175.463 173.775 1.688 19425 3898 1 5 . 1 1 117 117 HIS CA C 117 56.119 56.119 55.767 0.352 19425 3899 1 5 . 1 1 117 117 HIS CB C 117 32.293 32.293 30.398 1.895 19425 3900 1 5 . 1 1 117 117 HIS H H 117 8.113 8.113 7.897 0.216 19425 3901 1 5 . 1 1 118 118 ALA N N 118 120.893 120.893 126.404 -5.511 19425 3902 1 5 . 1 1 118 118 ALA C C 118 173.775 173.775 176.133 -2.358 19425 3903 1 5 . 1 1 118 118 ALA CA C 118 50.378 50.378 51.382 -1.004 19425 3904 1 5 . 1 1 118 118 ALA CB C 118 21.646 21.646 19.570 2.076 19425 3905 1 5 . 1 1 118 118 ALA H H 118 9.458 9.458 8.941 0.517 19425 3906 1 5 . 1 1 120 120 LEU N N 120 119.631 119.631 124.067 -4.436 19425 3907 1 5 . 1 1 120 120 LEU C C 120 173.367 173.367 174.760 -1.393 19425 3908 1 5 . 1 1 120 120 LEU CA C 120 56.217 56.217 52.857 3.360 19425 3909 1 5 . 1 1 120 120 LEU CB C 120 39.519 39.519 43.908 -4.389 19425 3910 1 5 . 1 1 120 120 LEU H H 120 8.746 8.746 8.283 0.463 19425 3911 1 5 . 1 1 121 121 LEU N N 121 118.900 118.900 127.032 -8.132 19425 3912 1 5 . 1 1 121 121 LEU C C 121 171.400 171.400 175.768 -4.368 19425 3913 1 5 . 1 1 121 121 LEU CA C 121 52.852 52.852 53.711 -0.859 19425 3914 1 5 . 1 1 121 121 LEU CB C 121 43.452 43.452 42.723 0.729 19425 3915 1 5 . 1 1 121 121 LEU H H 121 8.590 8.590 8.590 0.000 19425 3916 1 5 . 1 1 122 122 ARG N N 122 123.588 123.588 125.036 -1.448 19425 3917 1 5 . 1 1 122 122 ARG C C 122 176.465 176.465 175.486 0.979 19425 3918 1 5 . 1 1 122 122 ARG CA C 122 54.403 54.403 54.010 0.393 19425 3919 1 5 . 1 1 122 122 ARG CB C 122 32.897 32.897 31.630 1.268 19425 3920 1 5 . 1 1 122 122 ARG H H 122 9.077 9.077 8.831 0.246 19425 3921 1 5 . 1 1 123 123 HIS N N 123 131.440 131.440 128.053 3.387 19425 3922 1 5 . 1 1 123 123 HIS C C 123 175.704 175.704 175.702 0.002 19425 3923 1 5 . 1 1 123 123 HIS CA C 123 56.637 56.637 56.689 -0.052 19425 3924 1 5 . 1 1 123 123 HIS CB C 123 31.261 31.261 30.034 1.227 19425 3925 1 5 . 1 1 123 123 HIS H H 123 9.622 9.622 8.525 1.097 19425 3926 1 5 . 1 1 124 124 SER N N 124 127.024 127.024 124.602 2.422 19425 3927 1 5 . 1 1 124 124 SER C C 124 175.686 175.686 175.839 -0.153 19425 3928 1 5 . 1 1 124 124 SER CA C 124 62.010 62.010 62.382 -0.372 19425 3929 1 5 . 1 1 124 124 SER CB C 124 62.912 62.912 63.039 -0.127 19425 3930 1 5 . 1 1 124 124 SER H H 124 7.840 7.840 7.884 -0.044 19425 3931 1 5 . 1 1 125 125 TYR N N 125 119.708 119.708 120.780 -1.072 19425 3932 1 5 . 1 1 125 125 TYR C C 125 180.696 180.696 176.473 4.223 19425 3933 1 5 . 1 1 125 125 TYR CA C 125 60.903 60.903 60.331 0.572 19425 3934 1 5 . 1 1 125 125 TYR CB C 125 38.744 38.744 38.474 0.270 19425 3935 1 5 . 1 1 125 125 TYR H H 125 8.746 8.746 7.383 1.363 19425 3936 1 5 . 1 1 126 126 SER N N 126 110.333 110.333 112.858 -2.525 19425 3937 1 5 . 1 1 126 126 SER C C 126 176.543 176.543 175.498 1.045 19425 3938 1 5 . 1 1 126 126 SER CA C 126 59.366 59.366 59.612 -0.246 19425 3939 1 5 . 1 1 126 126 SER CB C 126 65.282 65.282 64.345 0.937 19425 3940 1 5 . 1 1 126 126 SER H H 126 7.004 7.004 8.008 -1.004 19425 3941 1 5 . 1 1 127 127 GLY N N 127 113.322 113.322 109.030 4.292 19425 3942 1 5 . 1 1 127 127 GLY C C 127 176.428 176.428 174.442 1.986 19425 3943 1 5 . 1 1 127 127 GLY CA C 127 46.064 46.064 45.788 0.276 19425 3944 1 5 . 1 1 127 127 GLY H H 127 8.181 8.181 8.340 -0.159 19425 3945 1 5 . 1 1 128 128 MET N N 128 118.598 118.598 118.876 -0.278 19425 3946 1 5 . 1 1 128 128 MET C C 128 173.200 173.200 175.150 -1.950 19425 3947 1 5 . 1 1 128 128 MET CA C 128 55.429 55.429 56.424 -0.995 19425 3948 1 5 . 1 1 128 128 MET CB C 128 35.988 35.988 34.240 1.748 19425 3949 1 5 . 1 1 128 128 MET H H 128 7.551 7.551 7.411 0.140 19425 3950 1 5 . 1 1 129 129 TYR N N 129 116.715 116.715 114.447 2.268 19425 3951 1 5 . 1 1 129 129 TYR C C 129 172.884 172.884 175.807 -2.923 19425 3952 1 5 . 1 1 129 129 TYR CA C 129 58.658 58.658 57.148 1.510 19425 3953 1 5 . 1 1 129 129 TYR CB C 129 40.914 40.914 41.226 -0.312 19425 3954 1 5 . 1 1 129 129 TYR H H 129 8.923 8.923 8.486 0.437 19425 3955 1 5 . 1 1 130 130 LEU N N 130 123.061 123.061 124.948 -1.887 19425 3956 1 5 . 1 1 130 130 LEU C C 130 176.677 176.677 176.487 0.190 19425 3957 1 5 . 1 1 130 130 LEU CA C 130 56.311 56.311 56.264 0.047 19425 3958 1 5 . 1 1 130 130 LEU CB C 130 42.909 42.909 42.384 0.525 19425 3959 1 5 . 1 1 130 130 LEU H H 130 8.236 8.236 8.976 -0.740 19425 3960 1 5 . 1 1 131 131 CYS N N 131 126.618 126.618 127.445 -0.827 19425 3961 1 5 . 1 1 131 131 CYS C C 131 177.616 177.616 173.174 4.442 19425 3962 1 5 . 1 1 131 131 CYS CA C 131 57.028 57.028 56.935 0.093 19425 3963 1 5 . 1 1 131 131 CYS CB C 131 32.339 32.339 30.038 2.301 19425 3964 1 5 . 1 1 131 131 CYS H H 131 9.516 9.516 9.462 0.054 19425 3965 1 5 . 1 1 132 132 CYS N N 132 124.860 124.860 127.897 -3.037 19425 3966 1 5 . 1 1 132 132 CYS C C 132 172.309 172.309 174.141 -1.832 19425 3967 1 5 . 1 1 132 132 CYS CA C 132 59.436 59.436 57.662 1.774 19425 3968 1 5 . 1 1 132 132 CYS CB C 132 27.383 27.383 26.864 0.519 19425 3969 1 5 . 1 1 132 132 CYS H H 132 8.142 8.142 8.399 -0.257 19425 3970 1 5 . 1 1 133 133 LEU N N 133 131.382 131.382 127.597 3.785 19425 3971 1 5 . 1 1 133 133 LEU C C 133 174.035 174.035 177.314 -3.279 19425 3972 1 5 . 1 1 133 133 LEU CA C 133 54.799 54.799 55.045 -0.246 19425 3973 1 5 . 1 1 133 133 LEU CB C 133 41.109 41.109 42.793 -1.684 19425 3974 1 5 . 1 1 133 133 LEU H H 133 9.008 9.008 8.379 0.629 19425 3975 1 5 . 1 1 134 134 SER N N 134 112.103 112.103 113.754 -1.651 19425 3976 1 5 . 1 1 134 134 SER C C 134 175.519 175.519 174.318 1.201 19425 3977 1 5 . 1 1 134 134 SER CA C 134 58.320 58.320 58.739 -0.419 19425 3978 1 5 . 1 1 134 134 SER CB C 134 63.979 63.979 62.926 1.053 19425 3979 1 5 . 1 1 134 134 SER H H 134 8.229 8.229 8.604 -0.375 19425 3980 1 5 . 1 1 135 135 THR N N 135 111.693 111.693 112.547 -0.854 19425 3981 1 5 . 1 1 135 135 THR C C 135 174.535 174.535 175.402 -0.867 19425 3982 1 5 . 1 1 135 135 THR CA C 135 60.703 60.703 60.837 -0.134 19425 3983 1 5 . 1 1 135 135 THR CB C 135 70.624 70.624 70.200 0.424 19425 3984 1 5 . 1 1 135 135 THR H H 135 7.292 7.292 7.324 -0.032 19425 3985 1 5 . 1 1 136 136 SER N N 136 117.260 117.260 122.791 -5.531 19425 3986 1 5 . 1 1 136 136 SER C C 136 173.478 173.478 175.073 -1.595 19425 3987 1 5 . 1 1 136 136 SER CA C 136 57.537 57.537 61.834 -4.297 19425 3988 1 5 . 1 1 136 136 SER CB C 136 64.593 64.593 63.749 0.844 19425 3989 1 5 . 1 1 136 136 SER H H 136 8.544 8.544 9.116 -0.572 19425 3990 1 5 . 1 1 137 137 ARG N N 137 124.804 124.804 115.874 8.930 19425 3991 1 5 . 1 1 137 137 ARG C C 137 175.000 175.000 175.395 -0.395 19425 3992 1 5 . 1 1 137 137 ARG CA C 137 56.922 56.922 56.649 0.273 19425 3993 1 5 . 1 1 137 137 ARG CB C 137 30.733 30.733 31.575 -0.842 19425 3994 1 5 . 1 1 137 137 ARG H H 137 9.231 9.231 8.273 0.958 19425 3995 1 5 . 1 1 138 138 SER N N 138 126.225 126.225 113.393 12.832 19425 3996 1 5 . 1 1 138 138 SER C C 138 175.871 175.871 174.910 0.961 19425 3997 1 5 . 1 1 138 138 SER CA C 138 61.891 61.891 58.135 3.756 19425 3998 1 5 . 1 1 138 138 SER CB C 138 62.730 62.730 65.062 -2.332 19425 3999 1 5 . 1 1 138 138 SER H H 138 7.891 7.891 8.137 -0.246 19425 4000 1 5 . 1 1 140 140 THR N N 140 114.799 114.799 111.911 2.888 19425 4001 1 5 . 1 1 140 140 THR C C 140 173.756 173.756 175.857 -2.101 19425 4002 1 5 . 1 1 140 140 THR CA C 140 62.895 62.895 64.542 -1.647 19425 4003 1 5 . 1 1 140 140 THR CB C 140 69.332 69.332 68.744 0.588 19425 4004 1 5 . 1 1 140 140 THR H H 140 8.168 8.168 8.298 -0.130 19425 4005 1 5 . 1 1 141 141 ASP N N 141 121.772 121.772 120.782 0.990 19425 4006 1 5 . 1 1 141 141 ASP C C 141 174.795 174.795 176.857 -2.062 19425 4007 1 5 . 1 1 141 141 ASP CA C 141 54.001 54.001 56.152 -2.151 19425 4008 1 5 . 1 1 141 141 ASP CB C 141 40.914 40.914 39.900 1.014 19425 4009 1 5 . 1 1 141 141 ASP H H 141 8.049 8.049 8.356 -0.307 19425 4010 1 5 . 1 1 142 142 LYS N N 142 121.585 121.585 117.152 4.433 19425 4011 1 5 . 1 1 142 142 LYS C C 142 176.274 176.274 177.017 -0.743 19425 4012 1 5 . 1 1 142 142 LYS CA C 142 57.106 57.106 58.347 -1.241 19425 4013 1 5 . 1 1 142 142 LYS CB C 142 31.369 31.369 31.396 -0.027 19425 4014 1 5 . 1 1 142 142 LYS H H 142 8.376 8.376 8.289 0.087 19425 4015 1 5 . 1 1 143 143 LEU N N 143 119.604 119.604 118.759 0.845 19425 4016 1 5 . 1 1 143 143 LEU C C 143 176.798 176.798 176.923 -0.125 19425 4017 1 5 . 1 1 143 143 LEU CA C 143 55.261 55.261 57.407 -2.147 19425 4018 1 5 . 1 1 143 143 LEU CB C 143 41.487 41.487 41.152 0.335 19425 4019 1 5 . 1 1 143 143 LEU H H 143 8.262 8.262 7.715 0.547 19425 4020 1 5 . 1 1 144 144 ALA N N 144 123.881 123.881 116.557 7.324 19425 4021 1 5 . 1 1 144 144 ALA C C 144 176.410 176.410 176.946 -0.536 19425 4022 1 5 . 1 1 144 144 ALA CA C 144 51.335 51.335 50.706 0.629 19425 4023 1 5 . 1 1 144 144 ALA CB C 144 20.924 20.924 20.788 0.136 19425 4024 1 5 . 1 1 144 144 ALA H H 144 7.614 7.614 7.649 -0.035 19425 4025 1 5 . 1 1 145 145 PHE N N 145 120.083 120.083 118.514 1.569 19425 4026 1 5 . 1 1 145 145 PHE C C 145 176.948 176.948 175.673 1.275 19425 4027 1 5 . 1 1 145 145 PHE CA C 145 55.872 55.872 56.358 -0.486 19425 4028 1 5 . 1 1 145 145 PHE CB C 145 42.468 42.468 41.133 1.335 19425 4029 1 5 . 1 1 145 145 PHE H H 145 8.647 8.647 8.700 -0.053 19425 4030 1 5 . 1 1 146 146 ASP N N 146 119.893 119.893 120.282 -0.389 19425 4031 1 5 . 1 1 146 146 ASP C C 146 175.519 175.519 174.479 1.040 19425 4032 1 5 . 1 1 146 146 ASP CA C 146 54.679 54.679 54.692 -0.013 19425 4033 1 5 . 1 1 146 146 ASP CB C 146 42.169 42.169 42.766 -0.597 19425 4034 1 5 . 1 1 146 146 ASP H H 146 8.692 8.692 9.009 -0.317 19425 4035 1 5 . 1 1 147 147 VAL N N 147 118.800 118.800 121.800 -3.000 19425 4036 1 5 . 1 1 147 147 VAL C C 147 174.053 174.053 175.588 -1.535 19425 4037 1 5 . 1 1 147 147 VAL CA C 147 60.671 60.671 61.379 -0.708 19425 4038 1 5 . 1 1 147 147 VAL CB C 147 35.326 35.326 33.015 2.311 19425 4039 1 5 . 1 1 147 147 VAL H H 147 8.224 8.224 8.447 -0.223 19425 4040 1 5 . 1 1 148 148 GLY N N 148 113.226 113.226 114.699 -1.473 19425 4041 1 5 . 1 1 148 148 GLY C C 148 175.141 175.141 172.265 2.876 19425 4042 1 5 . 1 1 148 148 GLY CA C 148 45.384 45.384 43.891 1.493 19425 4043 1 5 . 1 1 148 148 GLY H H 148 8.594 8.594 8.856 -0.262 19425 4044 1 5 . 1 1 149 149 LEU N N 149 120.880 120.880 119.446 1.434 19425 4045 1 5 . 1 1 149 149 LEU C C 149 170.973 170.973 175.306 -4.333 19425 4046 1 5 . 1 1 149 149 LEU CA C 149 53.299 53.299 53.636 -0.337 19425 4047 1 5 . 1 1 149 149 LEU CB C 149 43.938 43.938 45.775 -1.837 19425 4048 1 5 . 1 1 149 149 LEU H H 149 8.303 8.303 8.105 0.198 19425 4049 1 5 . 1 1 150 150 GLN N N 150 118.978 118.978 119.284 -0.306 19425 4050 1 5 . 1 1 150 150 GLN C C 150 177.133 177.133 175.710 1.423 19425 4051 1 5 . 1 1 150 150 GLN CA C 150 54.723 54.723 55.214 -0.491 19425 4052 1 5 . 1 1 150 150 GLN CB C 150 32.690 32.690 32.641 0.049 19425 4053 1 5 . 1 1 150 150 GLN H H 150 9.115 9.115 8.678 0.437 19425 4054 1 5 . 1 1 151 151 GLU N N 151 121.344 121.344 123.766 -2.422 19425 4055 1 5 . 1 1 151 151 GLU C C 151 175.333 175.333 176.226 -0.893 19425 4056 1 5 . 1 1 151 151 GLU CA C 151 59.140 59.140 58.377 0.763 19425 4057 1 5 . 1 1 151 151 GLU CB C 151 30.735 30.735 29.827 0.908 19425 4058 1 5 . 1 1 151 151 GLU H H 151 9.142 9.142 8.755 0.387 19425 4059 1 5 . 1 1 152 152 ASP N N 152 117.494 117.494 118.243 -0.749 19425 4060 1 5 . 1 1 152 152 ASP C C 152 176.391 176.391 176.709 -0.318 19425 4061 1 5 . 1 1 152 152 ASP CA C 152 54.139 54.139 54.442 -0.303 19425 4062 1 5 . 1 1 152 152 ASP CB C 152 41.920 41.920 41.751 0.169 19425 4063 1 5 . 1 1 152 152 ASP H H 152 8.023 8.023 8.188 -0.165 19425 4064 1 5 . 1 1 153 153 THR N N 153 111.969 111.969 108.410 3.559 19425 4065 1 5 . 1 1 153 153 THR C C 153 175.964 175.964 174.540 1.424 19425 4066 1 5 . 1 1 153 153 THR CA C 153 61.894 61.894 61.942 -0.048 19425 4067 1 5 . 1 1 153 153 THR CB C 153 68.903 68.903 69.291 -0.388 19425 4068 1 5 . 1 1 153 153 THR H H 153 7.985 7.985 8.100 -0.115 19425 4069 1 5 . 1 1 154 154 THR N N 154 113.978 113.978 114.165 -0.187 19425 4070 1 5 . 1 1 154 154 THR C C 154 175.000 175.000 175.281 -0.281 19425 4071 1 5 . 1 1 154 154 THR CA C 154 62.359 62.359 63.662 -1.303 19425 4072 1 5 . 1 1 154 154 THR CB C 154 69.210 69.210 68.570 0.640 19425 4073 1 5 . 1 1 154 154 THR H H 154 7.790 7.790 7.698 0.092 19425 4074 1 5 . 1 1 155 155 GLY N N 155 108.411 108.411 114.665 -6.254 19425 4075 1 5 . 1 1 155 155 GLY C C 155 174.702 174.702 172.208 2.494 19425 4076 1 5 . 1 1 155 155 GLY CA C 155 44.737 44.737 44.761 -0.024 19425 4077 1 5 . 1 1 155 155 GLY H H 155 7.639 7.639 7.813 -0.174 19425 4078 1 5 . 1 1 156 156 GLU N N 156 118.666 118.666 119.508 -0.842 19425 4079 1 5 . 1 1 156 156 GLU C C 156 173.571 173.571 178.025 -4.454 19425 4080 1 5 . 1 1 156 156 GLU CA C 156 59.352 59.352 56.943 2.409 19425 4081 1 5 . 1 1 156 156 GLU CB C 156 31.248 31.248 30.295 0.953 19425 4082 1 5 . 1 1 156 156 GLU H H 156 8.606 8.606 8.683 -0.077 19425 4083 1 5 . 1 1 157 157 ALA N N 157 118.664 118.664 123.856 -5.192 19425 4084 1 5 . 1 1 157 157 ALA C C 157 177.727 177.727 178.394 -0.667 19425 4085 1 5 . 1 1 157 157 ALA CA C 157 55.063 55.063 54.568 0.495 19425 4086 1 5 . 1 1 157 157 ALA CB C 157 18.856 18.856 18.326 0.530 19425 4087 1 5 . 1 1 157 157 ALA H H 157 8.159 8.159 8.467 -0.308 19425 4088 1 5 . 1 1 158 158 CYS N N 158 114.681 114.681 114.853 -0.172 19425 4089 1 5 . 1 1 158 158 CYS C C 158 179.972 179.972 173.406 6.566 19425 4090 1 5 . 1 1 158 158 CYS CA C 158 57.585 57.585 59.328 -1.743 19425 4091 1 5 . 1 1 158 158 CYS CB C 158 27.977 27.977 27.190 0.787 19425 4092 1 5 . 1 1 158 158 CYS H H 158 7.973 7.973 8.223 -0.250 19425 4093 1 5 . 1 1 165 165 ALA N N 165 122.416 122.416 128.123 -5.707 19425 4094 1 5 . 1 1 165 165 ALA C C 165 176.743 176.743 177.746 -1.003 19425 4095 1 5 . 1 1 165 165 ALA CA C 165 52.390 52.390 53.818 -1.428 19425 4096 1 5 . 1 1 165 165 ALA CB C 165 20.486 20.486 19.341 1.145 19425 4097 1 5 . 1 1 165 165 ALA H H 165 8.190 8.190 8.609 -0.419 19425 4098 1 5 . 1 1 166 166 SER N N 166 111.681 111.681 113.179 -1.498 19425 4099 1 5 . 1 1 166 166 SER C C 166 176.876 176.876 173.980 2.896 19425 4100 1 5 . 1 1 166 166 SER CA C 166 56.863 56.863 56.963 -0.100 19425 4101 1 5 . 1 1 166 166 SER CB C 166 65.738 65.738 64.684 1.054 19425 4102 1 5 . 1 1 166 166 SER H H 166 7.690 7.690 7.767 -0.077 19425 4103 1 5 . 1 1 167 167 LYS N N 167 121.655 121.655 119.143 2.512 19425 4104 1 5 . 1 1 167 167 LYS C C 167 175.241 175.241 176.276 -1.035 19425 4105 1 5 . 1 1 167 167 LYS CA C 167 55.297 55.297 57.044 -1.747 19425 4106 1 5 . 1 1 167 167 LYS CB C 167 31.364 31.364 32.414 -1.050 19425 4107 1 5 . 1 1 167 167 LYS H H 167 8.230 8.230 8.443 -0.213 19425 4108 1 5 . 1 1 168 168 GLN N N 168 117.832 117.832 117.525 0.307 19425 4109 1 5 . 1 1 168 168 GLN C C 168 176.836 176.836 176.183 0.653 19425 4110 1 5 . 1 1 168 168 GLN CA C 168 57.366 57.366 56.331 1.035 19425 4111 1 5 . 1 1 168 168 GLN CB C 168 28.979 28.979 28.864 0.115 19425 4112 1 5 . 1 1 168 168 GLN H H 168 8.134 8.134 8.219 -0.085 19425 4113 1 5 . 1 1 169 169 ARG N N 169 117.052 117.052 120.610 -3.558 19425 4114 1 5 . 1 1 169 169 ARG C C 169 175.946 175.946 175.297 0.649 19425 4115 1 5 . 1 1 169 169 ARG CA C 169 52.885 52.885 54.795 -1.910 19425 4116 1 5 . 1 1 169 169 ARG CB C 169 32.795 32.795 30.801 1.994 19425 4117 1 5 . 1 1 169 169 ARG H H 169 7.209 7.209 7.814 -0.605 19425 4118 1 5 . 1 1 170 170 SER N N 170 114.335 114.335 114.188 0.147 19425 4119 1 5 . 1 1 170 170 SER C C 170 174.387 174.387 173.652 0.735 19425 4120 1 5 . 1 1 170 170 SER CA C 170 56.976 56.976 56.270 0.706 19425 4121 1 5 . 1 1 170 170 SER CB C 170 66.348 66.348 65.721 0.627 19425 4122 1 5 . 1 1 170 170 SER H H 170 8.279 8.279 8.435 -0.156 19425 4123 1 5 . 1 1 171 171 GLU N N 171 121.428 121.428 122.797 -1.369 19425 4124 1 5 . 1 1 171 171 GLU C C 171 173.293 173.293 177.215 -3.922 19425 4125 1 5 . 1 1 171 171 GLU CA C 171 58.658 58.658 56.879 1.779 19425 4126 1 5 . 1 1 171 171 GLU CB C 171 28.693 28.693 28.818 -0.125 19425 4127 1 5 . 1 1 171 171 GLU H H 171 8.540 8.540 8.562 -0.022 19425 4128 1 5 . 1 1 172 172 GLY N N 172 113.162 113.162 114.667 -1.505 19425 4129 1 5 . 1 1 172 172 GLY C C 172 177.504 177.504 174.352 3.152 19425 4130 1 5 . 1 1 172 172 GLY CA C 172 45.452 45.452 44.932 0.520 19425 4131 1 5 . 1 1 172 172 GLY H H 172 8.676 8.676 9.040 -0.364 19425 4132 1 5 . 1 1 173 173 GLU N N 173 119.545 119.545 121.146 -1.601 19425 4133 1 5 . 1 1 173 173 GLU C C 173 173.311 173.311 176.063 -2.752 19425 4134 1 5 . 1 1 173 173 GLU CA C 173 55.689 55.689 56.164 -0.475 19425 4135 1 5 . 1 1 173 173 GLU CB C 173 31.204 31.204 30.981 0.223 19425 4136 1 5 . 1 1 173 173 GLU H H 173 7.805 7.805 7.802 0.003 19425 4137 1 5 . 1 1 174 174 LYS N N 174 120.834 120.834 121.381 -0.547 19425 4138 1 5 . 1 1 174 174 LYS C C 174 175.352 175.352 176.843 -1.491 19425 4139 1 5 . 1 1 174 174 LYS CA C 174 57.207 57.207 56.850 0.357 19425 4140 1 5 . 1 1 174 174 LYS CB C 174 34.185 34.185 32.791 1.394 19425 4141 1 5 . 1 1 174 174 LYS H H 174 8.215 8.215 8.446 -0.231 19425 4142 1 5 . 1 1 175 175 VAL N N 175 122.529 122.529 124.783 -2.254 19425 4143 1 5 . 1 1 175 175 VAL C C 175 176.595 176.595 175.529 1.066 19425 4144 1 5 . 1 1 175 175 VAL CA C 175 63.046 63.046 62.236 0.810 19425 4145 1 5 . 1 1 175 175 VAL CB C 175 31.265 31.265 32.028 -0.763 19425 4146 1 5 . 1 1 175 175 VAL H H 175 7.914 7.914 8.672 -0.758 19425 4147 1 5 . 1 1 176 176 ARG N N 176 127.622 127.622 127.298 0.324 19425 4148 1 5 . 1 1 176 176 ARG C C 176 175.742 175.742 176.843 -1.101 19425 4149 1 5 . 1 1 176 176 ARG CA C 176 55.767 55.767 53.467 2.300 19425 4150 1 5 . 1 1 176 176 ARG CB C 176 30.480 30.480 31.537 -1.057 19425 4151 1 5 . 1 1 176 176 ARG H H 176 7.570 7.570 8.873 -1.303 19425 4152 1 5 . 1 1 177 177 VAL N N 177 122.521 122.521 121.546 0.975 19425 4153 1 5 . 1 1 177 177 VAL C C 177 177.523 177.523 177.393 0.130 19425 4154 1 5 . 1 1 177 177 VAL CA C 177 65.322 65.322 64.218 1.104 19425 4155 1 5 . 1 1 177 177 VAL CB C 177 31.431 31.431 31.102 0.329 19425 4156 1 5 . 1 1 177 177 VAL H H 177 8.276 8.276 7.994 0.282 19425 4157 1 5 . 1 1 179 179 ASP N N 179 122.577 122.577 123.976 -1.399 19425 4158 1 5 . 1 1 179 179 ASP C C 179 174.554 174.554 175.686 -1.132 19425 4159 1 5 . 1 1 179 179 ASP CA C 179 54.687 54.687 54.927 -0.240 19425 4160 1 5 . 1 1 179 179 ASP CB C 179 40.417 40.417 41.488 -1.071 19425 4161 1 5 . 1 1 179 179 ASP H H 179 7.848 7.848 7.912 -0.064 19425 4162 1 5 . 1 1 180 180 ASP N N 180 121.916 121.916 124.354 -2.438 19425 4163 1 5 . 1 1 180 180 ASP C C 180 174.610 174.610 175.925 -1.315 19425 4164 1 5 . 1 1 180 180 ASP CA C 180 54.379 54.379 55.393 -1.014 19425 4165 1 5 . 1 1 180 180 ASP CB C 180 42.178 42.178 40.846 1.332 19425 4166 1 5 . 1 1 180 180 ASP H H 180 8.521 8.521 8.583 -0.062 19425 4167 1 5 . 1 1 181 181 LEU N N 181 121.499 121.499 123.305 -1.806 19425 4168 1 5 . 1 1 181 181 LEU C C 181 175.166 175.166 176.746 -1.580 19425 4169 1 5 . 1 1 181 181 LEU CA C 181 54.379 54.379 53.637 0.742 19425 4170 1 5 . 1 1 181 181 LEU CB C 181 45.395 45.395 44.562 0.833 19425 4171 1 5 . 1 1 181 181 LEU H H 181 9.782 9.782 8.993 0.789 19425 4172 1 5 . 1 1 185 185 SER N N 185 122.939 122.939 122.557 0.382 19425 4173 1 5 . 1 1 185 185 SER C C 185 175.871 175.871 175.635 0.236 19425 4174 1 5 . 1 1 185 185 SER CA C 185 57.514 57.514 57.985 -0.471 19425 4175 1 5 . 1 1 185 185 SER CB C 185 62.772 62.772 63.446 -0.674 19425 4176 1 5 . 1 1 185 185 SER H H 185 9.183 9.183 9.062 0.121 19425 4177 1 5 . 1 1 186 186 VAL N N 186 131.799 131.799 127.201 4.598 19425 4178 1 5 . 1 1 186 186 VAL C C 186 177.226 177.226 176.987 0.239 19425 4179 1 5 . 1 1 186 186 VAL CA C 186 65.883 65.883 65.492 0.391 19425 4180 1 5 . 1 1 186 186 VAL CB C 186 31.190 31.190 31.703 -0.513 19425 4181 1 5 . 1 1 186 186 VAL H H 186 8.285 8.285 8.154 0.131 19425 4182 1 5 . 1 1 187 187 SER N N 187 110.228 110.228 113.189 -2.961 19425 4183 1 5 . 1 1 187 187 SER C C 187 177.077 177.077 175.268 1.809 19425 4184 1 5 . 1 1 187 187 SER CA C 187 60.200 60.200 60.119 0.081 19425 4185 1 5 . 1 1 187 187 SER CB C 187 62.264 62.264 63.875 -1.611 19425 4186 1 5 . 1 1 187 187 SER H H 187 7.000 7.000 7.859 -0.859 19425 4187 1 5 . 1 1 188 188 SER N N 188 115.022 115.022 115.052 -0.030 19425 4188 1 5 . 1 1 188 188 SER C C 188 176.632 176.632 173.825 2.807 19425 4189 1 5 . 1 1 188 188 SER CA C 188 58.889 58.889 57.895 0.994 19425 4190 1 5 . 1 1 188 188 SER CB C 188 66.818 66.818 64.153 2.666 19425 4191 1 5 . 1 1 188 188 SER H H 188 7.886 7.886 7.396 0.490 19425 4192 1 5 . 1 1 189 189 GLU N N 189 118.477 118.477 118.774 -0.297 19425 4193 1 5 . 1 1 189 189 GLU C C 189 175.000 175.000 174.818 0.182 19425 4194 1 5 . 1 1 189 189 GLU CA C 189 58.562 58.562 57.975 0.587 19425 4195 1 5 . 1 1 189 189 GLU CB C 189 27.420 27.420 27.242 0.178 19425 4196 1 5 . 1 1 189 189 GLU H H 189 7.929 7.929 8.414 -0.485 19425 4197 1 5 . 1 1 190 190 ARG N N 190 116.828 116.828 117.467 -0.639 19425 4198 1 5 . 1 1 190 190 ARG C C 190 173.868 173.868 175.838 -1.970 19425 4199 1 5 . 1 1 190 190 ARG CA C 190 54.238 54.238 54.559 -0.321 19425 4200 1 5 . 1 1 190 190 ARG CB C 190 32.141 32.141 33.096 -0.955 19425 4201 1 5 . 1 1 190 190 ARG H H 190 6.723 6.723 8.008 -1.285 19425 4202 1 5 . 1 1 191 191 TYR N N 191 118.733 118.733 120.998 -2.265 19425 4203 1 5 . 1 1 191 191 TYR C C 191 174.368 174.368 177.360 -2.992 19425 4204 1 5 . 1 1 191 191 TYR CA C 191 57.405 57.405 58.593 -1.188 19425 4205 1 5 . 1 1 191 191 TYR CB C 191 39.444 39.444 39.487 -0.043 19425 4206 1 5 . 1 1 191 191 TYR H H 191 8.912 8.912 8.994 -0.082 19425 4207 1 5 . 1 1 192 192 LEU N N 192 123.460 123.460 124.598 -1.138 19425 4208 1 5 . 1 1 192 192 LEU C C 192 176.753 176.753 176.049 0.704 19425 4209 1 5 . 1 1 192 192 LEU CA C 192 57.061 57.061 54.145 2.916 19425 4210 1 5 . 1 1 192 192 LEU CB C 192 41.351 41.351 40.559 0.791 19425 4211 1 5 . 1 1 192 192 LEU H H 192 8.836 8.836 8.907 -0.071 19425 4212 1 5 . 1 1 193 193 HIS N N 193 134.195 134.195 125.141 9.054 19425 4213 1 5 . 1 1 193 193 HIS C C 193 178.766 178.766 174.420 4.346 19425 4214 1 5 . 1 1 193 193 HIS CA C 193 56.349 56.349 56.053 0.296 19425 4215 1 5 . 1 1 193 193 HIS CB C 193 31.613 31.613 31.802 -0.189 19425 4216 1 5 . 1 1 193 193 HIS H H 193 10.227 10.227 8.874 1.353 19425 4217 1 5 . 1 1 194 194 LEU N N 194 128.500 128.500 127.232 1.268 19425 4218 1 5 . 1 1 194 194 LEU C C 194 170.268 170.268 175.112 -4.844 19425 4219 1 5 . 1 1 194 194 LEU CA C 194 54.139 54.139 54.083 0.056 19425 4220 1 5 . 1 1 194 194 LEU CB C 194 44.036 44.036 43.436 0.600 19425 4221 1 5 . 1 1 194 194 LEU H H 194 7.784 7.784 7.641 0.143 19425 4222 1 5 . 1 1 195 195 SER N N 195 122.195 122.195 122.345 -0.150 19425 4223 1 5 . 1 1 195 195 SER C C 195 174.740 174.740 173.193 1.547 19425 4224 1 5 . 1 1 195 195 SER CA C 195 56.814 56.814 56.514 0.300 19425 4225 1 5 . 1 1 195 195 SER CB C 195 66.260 66.260 65.567 0.693 19425 4226 1 5 . 1 1 195 195 SER H H 195 9.042 9.042 9.004 0.038 19425 4227 1 5 . 1 1 196 196 TYR N N 196 124.809 124.809 128.309 -3.500 19425 4228 1 5 . 1 1 196 196 TYR C C 196 172.439 172.439 175.076 -2.637 19425 4229 1 5 . 1 1 196 196 TYR CA C 196 57.019 57.019 56.958 0.061 19425 4230 1 5 . 1 1 196 196 TYR CB C 196 39.817 39.817 38.516 1.301 19425 4231 1 5 . 1 1 196 196 TYR H H 196 8.657 8.657 8.883 -0.226 19425 4232 1 5 . 1 1 197 197 GLY N N 197 114.111 114.111 113.614 0.497 19425 4233 1 5 . 1 1 197 197 GLY C C 197 176.113 176.113 173.873 2.240 19425 4234 1 5 . 1 1 197 197 GLY CA C 197 45.492 45.492 44.390 1.102 19425 4235 1 5 . 1 1 197 197 GLY H H 197 8.030 8.030 8.523 -0.492 19425 4236 1 5 . 1 1 200 200 SER N N 200 113.158 113.158 115.528 -2.370 19425 4237 1 5 . 1 1 200 200 SER C C 200 172.661 172.661 171.804 0.857 19425 4238 1 5 . 1 1 200 200 SER CA C 200 56.890 56.890 56.890 0.000 19425 4239 1 5 . 1 1 200 200 SER CB C 200 65.522 65.522 66.041 -0.519 19425 4240 1 5 . 1 1 200 200 SER H H 200 6.893 6.893 7.445 -0.552 19425 4241 1 5 . 1 1 201 201 TRP N N 201 122.521 122.521 120.276 2.245 19425 4242 1 5 . 1 1 201 201 TRP C C 201 171.813 171.813 176.068 -4.255 19425 4243 1 5 . 1 1 201 201 TRP CA C 201 56.990 56.990 56.291 0.699 19425 4244 1 5 . 1 1 201 201 TRP CB C 201 31.501 31.501 31.821 -0.320 19425 4245 1 5 . 1 1 201 201 TRP H H 201 8.243 8.243 8.247 -0.004 19425 4246 1 5 . 1 1 202 202 HIS N N 202 121.171 121.171 118.663 2.508 19425 4247 1 5 . 1 1 202 202 HIS C C 202 173.805 173.805 173.665 0.140 19425 4248 1 5 . 1 1 202 202 HIS CA C 202 55.169 55.169 54.645 0.524 19425 4249 1 5 . 1 1 202 202 HIS CB C 202 32.254 32.254 34.533 -2.279 19425 4250 1 5 . 1 1 202 202 HIS H H 202 9.383 9.383 9.407 -0.024 19425 4251 1 5 . 1 1 203 203 VAL N N 203 119.943 119.943 120.862 -0.919 19425 4252 1 5 . 1 1 203 203 VAL C C 203 172.439 172.439 174.074 -1.635 19425 4253 1 5 . 1 1 203 203 VAL CA C 203 58.683 58.683 59.756 -1.073 19425 4254 1 5 . 1 1 203 203 VAL CB C 203 33.957 33.957 34.149 -0.192 19425 4255 1 5 . 1 1 203 203 VAL H H 203 8.649 8.649 8.893 -0.244 19425 4256 1 5 . 1 1 204 204 ASP N N 204 127.907 127.907 126.903 1.004 19425 4257 1 5 . 1 1 204 204 ASP C C 204 173.162 173.162 173.791 -0.629 19425 4258 1 5 . 1 1 204 204 ASP CA C 204 53.545 53.545 52.597 0.948 19425 4259 1 5 . 1 1 204 204 ASP CB C 204 42.169 42.169 44.478 -2.309 19425 4260 1 5 . 1 1 204 204 ASP H H 204 9.822 9.822 8.922 0.900 19425 4261 1 5 . 1 1 205 205 ALA N N 205 121.047 121.047 121.075 -0.028 19425 4262 1 5 . 1 1 205 205 ALA C C 205 172.754 172.754 176.223 -3.469 19425 4263 1 5 . 1 1 205 205 ALA CA C 205 50.147 50.147 50.589 -0.442 19425 4264 1 5 . 1 1 205 205 ALA CB C 205 19.642 19.642 19.444 0.198 19425 4265 1 5 . 1 1 205 205 ALA H H 205 9.176 9.176 8.412 0.764 19425 4266 1 5 . 1 1 206 206 ALA N N 206 127.318 127.318 126.315 1.003 19425 4267 1 5 . 1 1 206 206 ALA C C 206 176.465 176.465 175.936 0.529 19425 4268 1 5 . 1 1 206 206 ALA CA C 206 50.609 50.609 50.381 0.228 19425 4269 1 5 . 1 1 206 206 ALA CB C 206 23.819 23.819 21.831 1.988 19425 4270 1 5 . 1 1 206 206 ALA H H 206 9.088 9.088 8.034 1.054 19425 4271 1 5 . 1 1 207 207 PHE N N 207 117.878 117.878 117.142 0.736 19425 4272 1 5 . 1 1 207 207 PHE C C 207 176.576 176.576 175.696 0.880 19425 4273 1 5 . 1 1 207 207 PHE CA C 207 59.714 59.714 58.699 1.015 19425 4274 1 5 . 1 1 207 207 PHE CB C 207 38.239 38.239 38.788 -0.549 19425 4275 1 5 . 1 1 207 207 PHE H H 207 8.953 8.953 8.489 0.464 19425 4276 1 5 . 1 1 208 208 GLN N N 208 117.531 117.531 117.211 0.320 19425 4277 1 5 . 1 1 208 208 GLN C C 208 175.166 175.166 175.241 -0.075 19425 4278 1 5 . 1 1 208 208 GLN CA C 208 55.096 55.096 54.023 1.073 19425 4279 1 5 . 1 1 208 208 GLN CB C 208 30.437 30.437 30.981 -0.544 19425 4280 1 5 . 1 1 208 208 GLN H H 208 6.613 6.613 7.747 -1.134 19425 4281 1 5 . 1 1 209 209 GLN N N 209 117.318 117.318 121.986 -4.668 19425 4282 1 5 . 1 1 209 209 GLN C C 209 173.162 173.162 175.688 -2.526 19425 4283 1 5 . 1 1 209 209 GLN CA C 209 56.217 56.217 56.721 -0.504 19425 4284 1 5 . 1 1 209 209 GLN CB C 209 29.912 29.912 29.468 0.444 19425 4285 1 5 . 1 1 209 209 GLN H H 209 8.108 8.108 8.323 -0.215 19425 4286 1 5 . 1 1 210 210 THR N N 210 116.616 116.616 113.633 2.983 19425 4287 1 5 . 1 1 210 210 THR C C 210 176.150 176.150 172.788 3.362 19425 4288 1 5 . 1 1 210 210 THR CA C 210 62.848 62.848 62.000 0.848 19425 4289 1 5 . 1 1 210 210 THR CB C 210 73.244 73.244 70.625 2.619 19425 4290 1 5 . 1 1 210 210 THR H H 210 6.641 6.641 8.324 -1.683 19425 4291 1 5 . 1 1 211 211 LEU N N 211 126.776 126.776 127.043 -0.267 19425 4292 1 5 . 1 1 211 211 LEU C C 211 171.418 171.418 175.588 -4.170 19425 4293 1 5 . 1 1 211 211 LEU CA C 211 55.012 55.012 54.823 0.189 19425 4294 1 5 . 1 1 211 211 LEU CB C 211 41.627 41.627 42.442 -0.815 19425 4295 1 5 . 1 1 211 211 LEU H H 211 8.418 8.418 8.421 -0.003 19425 4296 1 5 . 1 1 212 212 TRP N N 212 124.678 124.678 124.946 -0.268 19425 4297 1 5 . 1 1 212 212 TRP C C 212 175.742 175.742 176.085 -0.343 19425 4298 1 5 . 1 1 212 212 TRP CA C 212 56.052 56.052 55.299 0.753 19425 4299 1 5 . 1 1 212 212 TRP CB C 212 31.169 31.169 32.166 -0.997 19425 4300 1 5 . 1 1 212 212 TRP H H 212 9.462 9.462 9.197 0.265 19425 4301 1 5 . 1 1 213 213 SER N N 213 118.197 118.197 120.406 -2.209 19425 4302 1 5 . 1 1 213 213 SER C C 213 175.575 175.575 174.147 1.428 19425 4303 1 5 . 1 1 213 213 SER CA C 213 57.141 57.141 57.883 -0.742 19425 4304 1 5 . 1 1 213 213 SER CB C 213 64.800 64.800 63.122 1.678 19425 4305 1 5 . 1 1 213 213 SER H H 213 9.642 9.642 9.244 0.398 19425 4306 1 5 . 1 1 214 214 VAL N N 214 125.581 125.581 129.002 -3.421 19425 4307 1 5 . 1 1 214 214 VAL C C 214 174.183 174.183 174.766 -0.583 19425 4308 1 5 . 1 1 214 214 VAL CA C 214 61.398 61.398 61.918 -0.520 19425 4309 1 5 . 1 1 214 214 VAL CB C 214 32.502 32.502 31.856 0.646 19425 4310 1 5 . 1 1 214 214 VAL H H 214 8.433 8.433 8.131 0.302 19425 4311 1 5 . 1 1 215 215 ALA N N 215 130.074 130.074 131.456 -1.382 19425 4312 1 5 . 1 1 215 215 ALA C C 215 174.647 174.647 174.267 0.380 19425 4313 1 5 . 1 1 215 215 ALA CA C 215 49.058 49.058 48.480 0.578 19425 4314 1 5 . 1 1 215 215 ALA CB C 215 20.299 20.299 20.507 -0.208 19425 4315 1 5 . 1 1 215 215 ALA H H 215 8.572 8.572 8.361 0.211 19425 4316 1 6 . 1 1 13 13 PHE N N 13 122.001 122.001 121.139 0.862 19425 4317 1 6 . 1 1 13 13 PHE C C 13 174.608 174.608 175.854 -1.246 19425 4318 1 6 . 1 1 13 13 PHE CA C 13 56.445 56.445 55.930 0.515 19425 4319 1 6 . 1 1 13 13 PHE CB C 13 41.650 41.650 41.875 -0.225 19425 4320 1 6 . 1 1 13 13 PHE H H 13 8.209 8.209 8.265 -0.056 19425 4321 1 6 . 1 1 14 14 LEU N N 14 122.475 122.475 123.716 -1.241 19425 4322 1 6 . 1 1 14 14 LEU C C 14 175.630 175.630 176.038 -0.408 19425 4323 1 6 . 1 1 14 14 LEU CA C 14 55.024 55.024 54.910 0.114 19425 4324 1 6 . 1 1 14 14 LEU CB C 14 43.987 43.987 42.114 1.873 19425 4325 1 6 . 1 1 14 14 LEU H H 14 8.264 8.264 8.975 -0.711 19425 4326 1 6 . 1 1 15 15 ARG N N 15 121.510 121.510 122.243 -0.733 19425 4327 1 6 . 1 1 15 15 ARG C C 15 175.630 175.630 177.173 -1.543 19425 4328 1 6 . 1 1 15 15 ARG CA C 15 54.007 54.007 52.529 1.478 19425 4329 1 6 . 1 1 15 15 ARG CB C 15 34.536 34.536 32.560 1.976 19425 4330 1 6 . 1 1 15 15 ARG H H 15 8.653 8.653 8.223 0.430 19425 4331 1 6 . 1 1 16 16 THR N N 16 110.840 110.840 114.352 -3.512 19425 4332 1 6 . 1 1 16 16 THR C C 16 175.946 175.946 175.430 0.516 19425 4333 1 6 . 1 1 16 16 THR CA C 16 62.950 62.950 63.248 -0.298 19425 4334 1 6 . 1 1 16 16 THR CB C 16 69.276 69.276 69.601 -0.325 19425 4335 1 6 . 1 1 16 16 THR H H 16 8.815 8.815 8.497 0.318 19425 4336 1 6 . 1 1 17 17 ASP N N 17 114.036 114.036 120.018 -5.982 19425 4337 1 6 . 1 1 17 17 ASP C C 17 175.686 175.686 175.069 0.617 19425 4338 1 6 . 1 1 17 17 ASP CA C 17 57.735 57.735 56.123 1.612 19425 4339 1 6 . 1 1 17 17 ASP CB C 17 39.928 39.928 40.514 -0.586 19425 4340 1 6 . 1 1 17 17 ASP H H 17 9.241 9.241 8.849 0.392 19425 4341 1 6 . 1 1 18 18 ASP N N 18 122.062 122.062 122.330 -0.268 19425 4342 1 6 . 1 1 18 18 ASP C C 18 175.946 175.946 175.823 0.123 19425 4343 1 6 . 1 1 18 18 ASP CA C 18 56.214 56.214 55.183 1.031 19425 4344 1 6 . 1 1 18 18 ASP CB C 18 40.985 40.985 41.204 -0.219 19425 4345 1 6 . 1 1 18 18 ASP H H 18 8.035 8.035 7.637 0.398 19425 4346 1 6 . 1 1 19 19 GLU N N 19 122.006 122.006 124.384 -2.378 19425 4347 1 6 . 1 1 19 19 GLU C C 19 175.055 175.055 176.127 -1.072 19425 4348 1 6 . 1 1 19 19 GLU CA C 19 55.262 55.262 56.604 -1.342 19425 4349 1 6 . 1 1 19 19 GLU CB C 19 30.712 30.712 30.419 0.293 19425 4350 1 6 . 1 1 19 19 GLU H H 19 8.274 8.274 8.621 -0.347 19425 4351 1 6 . 1 1 20 20 VAL N N 20 118.214 118.214 121.426 -3.212 19425 4352 1 6 . 1 1 20 20 VAL C C 20 176.855 176.855 173.694 3.161 19425 4353 1 6 . 1 1 20 20 VAL CA C 20 59.054 59.054 58.782 0.272 19425 4354 1 6 . 1 1 20 20 VAL CB C 20 36.780 36.780 36.292 0.488 19425 4355 1 6 . 1 1 20 20 VAL H H 20 9.779 9.779 9.209 0.570 19425 4356 1 6 . 1 1 21 21 VAL N N 21 115.443 115.443 115.431 0.012 19425 4357 1 6 . 1 1 21 21 VAL C C 21 173.830 173.830 174.280 -0.450 19425 4358 1 6 . 1 1 21 21 VAL CA C 21 60.308 60.308 59.861 0.447 19425 4359 1 6 . 1 1 21 21 VAL CB C 21 34.625 34.625 34.977 -0.352 19425 4360 1 6 . 1 1 21 21 VAL H H 21 8.167 8.167 8.427 -0.260 19425 4361 1 6 . 1 1 22 22 LEU N N 22 128.072 128.072 128.137 -0.065 19425 4362 1 6 . 1 1 22 22 LEU C C 22 174.858 174.858 176.186 -1.328 19425 4363 1 6 . 1 1 22 22 LEU CA C 22 55.656 55.656 54.392 1.264 19425 4364 1 6 . 1 1 22 22 LEU CB C 22 42.545 42.545 42.196 0.349 19425 4365 1 6 . 1 1 22 22 LEU H H 22 10.103 10.103 8.961 1.142 19425 4366 1 6 . 1 1 23 23 GLN N N 23 120.609 120.609 123.051 -2.442 19425 4367 1 6 . 1 1 23 23 GLN C C 23 175.500 175.500 175.241 0.259 19425 4368 1 6 . 1 1 23 23 GLN CA C 23 53.710 53.710 54.168 -0.458 19425 4369 1 6 . 1 1 23 23 GLN CB C 23 33.697 33.697 33.170 0.527 19425 4370 1 6 . 1 1 23 23 GLN H H 23 9.119 9.119 8.674 0.445 19425 4371 1 6 . 1 1 24 24 CYS N N 24 118.659 118.659 119.462 -0.803 19425 4372 1 6 . 1 1 24 24 CYS C C 24 174.443 174.443 173.740 0.703 19425 4373 1 6 . 1 1 24 24 CYS CA C 24 55.261 55.261 56.132 -0.871 19425 4374 1 6 . 1 1 24 24 CYS CB C 24 30.302 30.302 30.913 -0.611 19425 4375 1 6 . 1 1 24 24 CYS H H 24 8.993 8.993 9.132 -0.139 19425 4376 1 6 . 1 1 25 25 THR N N 25 116.266 116.266 120.413 -4.147 19425 4377 1 6 . 1 1 25 25 THR C C 25 172.457 172.457 173.973 -1.516 19425 4378 1 6 . 1 1 25 25 THR CA C 25 61.858 61.858 63.292 -1.434 19425 4379 1 6 . 1 1 25 25 THR CB C 25 70.271 70.271 68.883 1.388 19425 4380 1 6 . 1 1 25 25 THR H H 25 8.480 8.480 8.599 -0.119 19425 4381 1 6 . 1 1 26 26 ALA N N 26 129.739 129.739 131.518 -1.779 19425 4382 1 6 . 1 1 26 26 ALA C C 26 172.717 172.717 175.257 -2.540 19425 4383 1 6 . 1 1 26 26 ALA CA C 26 50.642 50.642 49.890 0.752 19425 4384 1 6 . 1 1 26 26 ALA CB C 26 21.315 21.315 19.456 1.859 19425 4385 1 6 . 1 1 26 26 ALA H H 26 8.590 8.590 8.557 0.033 19425 4386 1 6 . 1 1 27 27 THR N N 27 116.574 116.574 118.415 -1.841 19425 4387 1 6 . 1 1 27 27 THR C C 27 173.181 173.181 173.766 -0.585 19425 4388 1 6 . 1 1 27 27 THR CA C 27 61.919 61.919 61.134 0.785 19425 4389 1 6 . 1 1 27 27 THR CB C 27 69.696 69.696 70.960 -1.264 19425 4390 1 6 . 1 1 27 27 THR H H 27 8.110 8.110 8.181 -0.071 19425 4391 1 6 . 1 1 28 28 ILE N N 28 126.342 126.342 124.107 2.235 19425 4392 1 6 . 1 1 28 28 ILE C C 28 173.793 173.793 174.324 -0.531 19425 4393 1 6 . 1 1 28 28 ILE CA C 28 60.407 60.407 61.528 -1.121 19425 4394 1 6 . 1 1 28 28 ILE CB C 28 39.536 39.536 40.474 -0.938 19425 4395 1 6 . 1 1 28 28 ILE H H 28 8.483 8.483 8.453 0.030 19425 4396 1 6 . 1 1 29 29 HIS N N 29 126.364 126.364 124.512 1.852 19425 4397 1 6 . 1 1 29 29 HIS C C 29 175.259 175.259 173.985 1.274 19425 4398 1 6 . 1 1 29 29 HIS CA C 29 57.174 57.174 57.013 0.161 19425 4399 1 6 . 1 1 29 29 HIS CB C 29 28.029 28.029 27.711 0.318 19425 4400 1 6 . 1 1 29 29 HIS H H 29 9.110 9.110 8.636 0.474 19425 4401 1 6 . 1 1 31 31 GLU N N 31 120.962 120.962 119.148 1.814 19425 4402 1 6 . 1 1 31 31 GLU C C 31 175.575 175.575 174.216 1.359 19425 4403 1 6 . 1 1 31 31 GLU CA C 31 55.394 55.394 55.867 -0.473 19425 4404 1 6 . 1 1 31 31 GLU CB C 31 31.576 31.576 32.072 -0.496 19425 4405 1 6 . 1 1 31 31 GLU H H 31 8.047 8.047 7.851 0.196 19425 4406 1 6 . 1 1 32 32 GLN N N 32 123.171 123.171 126.581 -3.410 19425 4407 1 6 . 1 1 32 32 GLN C C 32 175.185 175.185 174.706 0.479 19425 4408 1 6 . 1 1 32 32 GLN CA C 32 54.496 54.496 54.558 -0.062 19425 4409 1 6 . 1 1 32 32 GLN CB C 32 30.054 30.054 31.575 -1.521 19425 4410 1 6 . 1 1 32 32 GLN H H 32 8.646 8.646 8.693 -0.047 19425 4411 1 6 . 1 1 33 33 GLN N N 33 123.530 123.530 119.656 3.874 19425 4412 1 6 . 1 1 33 33 GLN C C 33 175.667 175.667 173.655 2.012 19425 4413 1 6 . 1 1 33 33 GLN CA C 33 54.616 54.616 54.522 0.094 19425 4414 1 6 . 1 1 33 33 GLN CB C 33 31.748 31.748 32.312 -0.564 19425 4415 1 6 . 1 1 33 33 GLN H H 33 8.839 8.839 8.693 0.146 19425 4416 1 6 . 1 1 34 34 LYS N N 34 124.601 124.601 120.278 4.323 19425 4417 1 6 . 1 1 34 34 LYS C C 34 173.812 173.812 174.864 -1.052 19425 4418 1 6 . 1 1 34 34 LYS CA C 34 55.755 55.755 55.224 0.531 19425 4419 1 6 . 1 1 34 34 LYS CB C 34 32.712 32.712 36.034 -3.322 19425 4420 1 6 . 1 1 34 34 LYS H H 34 8.589 8.589 8.418 0.171 19425 4421 1 6 . 1 1 35 35 LEU N N 35 126.071 126.071 122.496 3.575 19425 4422 1 6 . 1 1 35 35 LEU C C 35 175.445 175.445 175.849 -0.404 19425 4423 1 6 . 1 1 35 35 LEU CA C 35 53.347 53.347 52.750 0.597 19425 4424 1 6 . 1 1 35 35 LEU CB C 35 44.943 44.943 46.076 -1.133 19425 4425 1 6 . 1 1 35 35 LEU H H 35 8.794 8.794 8.382 0.412 19425 4426 1 6 . 1 1 36 36 CYS N N 36 118.373 118.373 118.826 -0.453 19425 4427 1 6 . 1 1 36 36 CYS C C 36 176.057 176.057 175.304 0.753 19425 4428 1 6 . 1 1 36 36 CYS CA C 36 57.174 57.174 55.352 1.821 19425 4429 1 6 . 1 1 36 36 CYS CB C 36 30.306 30.306 29.075 1.231 19425 4430 1 6 . 1 1 36 36 CYS H H 36 9.042 9.042 8.838 0.204 19425 4431 1 6 . 1 1 37 37 LEU N N 37 129.256 129.256 125.605 3.651 19425 4432 1 6 . 1 1 37 37 LEU C C 37 174.090 174.090 175.301 -1.211 19425 4433 1 6 . 1 1 37 37 LEU CA C 37 56.349 56.349 55.452 0.897 19425 4434 1 6 . 1 1 37 37 LEU CB C 37 42.689 42.689 42.136 0.553 19425 4435 1 6 . 1 1 37 37 LEU H H 37 8.811 8.811 8.843 -0.032 19425 4436 1 6 . 1 1 38 38 ALA N N 38 127.229 127.229 128.394 -1.165 19425 4437 1 6 . 1 1 38 38 ALA C C 38 174.517 174.517 175.145 -0.628 19425 4438 1 6 . 1 1 38 38 ALA CA C 38 50.609 50.609 49.459 1.150 19425 4439 1 6 . 1 1 38 38 ALA CB C 38 24.141 24.141 22.214 1.927 19425 4440 1 6 . 1 1 38 38 ALA H H 38 8.879 8.879 8.658 0.221 19425 4441 1 6 . 1 1 39 39 ALA N N 39 117.076 117.076 120.251 -3.175 19425 4442 1 6 . 1 1 39 39 ALA C C 39 174.665 174.665 174.691 -0.026 19425 4443 1 6 . 1 1 39 39 ALA CA C 39 51.500 51.500 51.688 -0.188 19425 4444 1 6 . 1 1 39 39 ALA CB C 39 20.996 20.996 21.573 -0.577 19425 4445 1 6 . 1 1 39 39 ALA H H 39 6.837 6.837 7.801 -0.964 19425 4446 1 6 . 1 1 40 40 GLU N N 40 119.966 119.966 118.025 1.941 19425 4447 1 6 . 1 1 40 40 GLU C C 40 176.205 176.205 176.041 0.164 19425 4448 1 6 . 1 1 40 40 GLU CA C 40 55.950 55.950 54.622 1.328 19425 4449 1 6 . 1 1 40 40 GLU CB C 40 31.836 31.836 32.683 -0.847 19425 4450 1 6 . 1 1 40 40 GLU H H 40 8.413 8.413 8.675 -0.262 19425 4451 1 6 . 1 1 41 41 GLY N N 41 108.646 108.646 107.324 1.322 19425 4452 1 6 . 1 1 41 41 GLY C C 41 176.892 176.892 173.411 3.481 19425 4453 1 6 . 1 1 41 41 GLY CA C 41 45.628 45.628 44.977 0.651 19425 4454 1 6 . 1 1 41 41 GLY H H 41 8.463 8.463 8.834 -0.371 19425 4455 1 6 . 1 1 43 43 GLY N N 43 109.557 109.557 112.514 -2.957 19425 4456 1 6 . 1 1 43 43 GLY C C 43 176.465 176.465 174.429 2.036 19425 4457 1 6 . 1 1 43 43 GLY CA C 43 45.397 45.397 45.437 -0.040 19425 4458 1 6 . 1 1 43 43 GLY H H 43 8.510 8.510 7.704 0.806 19425 4459 1 6 . 1 1 44 44 ASN N N 44 116.850 116.850 123.457 -6.607 19425 4460 1 6 . 1 1 44 44 ASN C C 44 173.830 173.830 175.337 -1.507 19425 4461 1 6 . 1 1 44 44 ASN CA C 44 54.184 54.184 52.787 1.397 19425 4462 1 6 . 1 1 44 44 ASN CB C 44 38.252 38.252 38.161 0.090 19425 4463 1 6 . 1 1 44 44 ASN H H 44 8.028 8.028 8.690 -0.662 19425 4464 1 6 . 1 1 45 45 ARG N N 45 118.226 118.226 115.729 2.497 19425 4465 1 6 . 1 1 45 45 ARG C C 45 174.072 174.072 174.183 -0.111 19425 4466 1 6 . 1 1 45 45 ARG CA C 45 56.077 56.077 57.192 -1.115 19425 4467 1 6 . 1 1 45 45 ARG CB C 45 31.231 31.231 27.675 3.555 19425 4468 1 6 . 1 1 45 45 ARG H H 45 7.759 7.759 7.498 0.261 19425 4469 1 6 . 1 1 46 46 LEU N N 46 124.643 124.643 118.626 6.017 19425 4470 1 6 . 1 1 46 46 LEU C C 46 176.447 176.447 177.724 -1.277 19425 4471 1 6 . 1 1 46 46 LEU CA C 46 54.667 54.667 53.462 1.205 19425 4472 1 6 . 1 1 46 46 LEU CB C 46 42.605 42.605 42.971 -0.366 19425 4473 1 6 . 1 1 46 46 LEU H H 46 8.695 8.695 7.551 1.144 19425 4474 1 6 . 1 1 47 47 CYS N N 47 119.241 119.241 119.687 -0.446 19425 4475 1 6 . 1 1 47 47 CYS C C 47 176.651 176.651 174.577 2.074 19425 4476 1 6 . 1 1 47 47 CYS CA C 47 55.885 55.885 57.938 -2.053 19425 4477 1 6 . 1 1 47 47 CYS CB C 47 31.112 31.112 29.235 1.877 19425 4478 1 6 . 1 1 47 47 CYS H H 47 9.007 9.007 8.603 0.404 19425 4479 1 6 . 1 1 48 48 PHE N N 48 114.081 114.081 118.615 -4.534 19425 4480 1 6 . 1 1 48 48 PHE C C 48 170.342 170.342 173.171 -2.829 19425 4481 1 6 . 1 1 48 48 PHE CA C 48 57.405 57.405 55.801 1.604 19425 4482 1 6 . 1 1 48 48 PHE CB C 48 43.263 43.263 40.309 2.954 19425 4483 1 6 . 1 1 48 48 PHE H H 48 8.647 8.647 8.368 0.279 19425 4484 1 6 . 1 1 49 49 LEU N N 49 122.287 122.287 119.064 3.223 19425 4485 1 6 . 1 1 49 49 LEU C C 49 176.236 176.236 176.206 0.030 19425 4486 1 6 . 1 1 49 49 LEU CA C 49 53.285 53.285 53.678 -0.393 19425 4487 1 6 . 1 1 49 49 LEU CB C 49 42.907 42.907 45.673 -2.766 19425 4488 1 6 . 1 1 49 49 LEU H H 49 9.108 9.108 8.852 0.256 19425 4489 1 6 . 1 1 50 50 GLU N N 50 123.206 123.206 122.746 0.460 19425 4490 1 6 . 1 1 50 50 GLU C C 50 177.671 177.671 175.350 2.321 19425 4491 1 6 . 1 1 50 50 GLU CA C 50 57.084 57.084 54.883 2.201 19425 4492 1 6 . 1 1 50 50 GLU CB C 50 30.123 30.123 33.074 -2.951 19425 4493 1 6 . 1 1 50 50 GLU H H 50 8.834 8.834 8.589 0.245 19425 4494 1 6 . 1 1 51 51 SER N N 51 118.500 118.500 120.301 -1.801 19425 4495 1 6 . 1 1 51 51 SER C C 51 176.706 176.706 174.971 1.735 19425 4496 1 6 . 1 1 51 51 SER CA C 51 58.560 58.560 58.829 -0.269 19425 4497 1 6 . 1 1 51 51 SER CB C 51 63.979 63.979 63.970 0.009 19425 4498 1 6 . 1 1 51 51 SER H H 51 8.461 8.461 8.841 -0.380 19425 4499 1 6 . 1 1 52 52 THR N N 52 116.205 116.205 115.987 0.218 19425 4500 1 6 . 1 1 52 52 THR C C 52 174.808 174.808 175.084 -0.276 19425 4501 1 6 . 1 1 52 52 THR CA C 52 61.891 61.891 60.012 1.879 19425 4502 1 6 . 1 1 52 52 THR CB C 52 70.076 70.076 70.879 -0.803 19425 4503 1 6 . 1 1 52 52 THR H H 52 8.199 8.199 8.327 -0.128 19425 4504 1 6 . 1 1 65 65 CYS N N 65 117.553 117.553 119.784 -2.231 19425 4505 1 6 . 1 1 65 65 CYS C C 65 176.948 176.948 174.103 2.845 19425 4506 1 6 . 1 1 65 65 CYS CA C 65 57.900 57.900 57.457 0.443 19425 4507 1 6 . 1 1 65 65 CYS CB C 65 30.290 30.290 26.324 3.966 19425 4508 1 6 . 1 1 65 65 CYS H H 65 7.539 7.539 7.585 -0.046 19425 4509 1 6 . 1 1 66 66 THR N N 66 113.614 113.614 118.181 -4.567 19425 4510 1 6 . 1 1 66 66 THR C C 66 180.325 180.325 173.420 6.905 19425 4511 1 6 . 1 1 66 66 THR CA C 66 63.399 63.399 63.500 -0.101 19425 4512 1 6 . 1 1 66 66 THR CB C 66 69.281 69.281 69.303 -0.022 19425 4513 1 6 . 1 1 66 66 THR H H 66 6.851 6.851 7.254 -0.403 19425 4514 1 6 . 1 1 67 67 PHE N N 67 126.248 126.248 125.761 0.487 19425 4515 1 6 . 1 1 67 67 PHE C C 67 174.424 174.424 173.956 0.468 19425 4516 1 6 . 1 1 67 67 PHE CA C 67 56.184 56.184 56.748 -0.564 19425 4517 1 6 . 1 1 67 67 PHE CB C 67 43.291 43.291 44.202 -0.911 19425 4518 1 6 . 1 1 67 67 PHE H H 67 9.603 9.603 9.336 0.267 19425 4519 1 6 . 1 1 68 68 VAL N N 68 121.310 121.310 119.192 2.118 19425 4520 1 6 . 1 1 68 68 VAL C C 68 173.719 173.719 175.618 -1.899 19425 4521 1 6 . 1 1 68 68 VAL CA C 68 60.935 60.935 60.747 0.188 19425 4522 1 6 . 1 1 68 68 VAL CB C 68 34.522 34.522 33.962 0.560 19425 4523 1 6 . 1 1 68 68 VAL H H 68 9.968 9.968 8.700 1.268 19425 4524 1 6 . 1 1 69 69 LEU N N 69 127.011 127.011 128.924 -1.913 19425 4525 1 6 . 1 1 69 69 LEU C C 69 177.152 177.152 178.123 -0.971 19425 4526 1 6 . 1 1 69 69 LEU CA C 69 53.083 53.083 54.546 -1.463 19425 4527 1 6 . 1 1 69 69 LEU CB C 69 39.652 39.652 39.339 0.313 19425 4528 1 6 . 1 1 69 69 LEU H H 69 8.135 8.135 8.587 -0.452 19425 4529 1 6 . 1 1 70 70 GLU N N 70 129.683 129.683 122.736 6.947 19425 4530 1 6 . 1 1 70 70 GLU C C 70 174.869 174.869 176.953 -2.084 19425 4531 1 6 . 1 1 70 70 GLU CA C 70 59.747 59.747 59.157 0.590 19425 4532 1 6 . 1 1 70 70 GLU CB C 70 31.291 31.291 29.780 1.511 19425 4533 1 6 . 1 1 70 70 GLU H H 70 8.654 8.654 8.409 0.245 19425 4534 1 6 . 1 1 71 71 GLN N N 71 110.287 110.287 117.114 -6.827 19425 4535 1 6 . 1 1 71 71 GLN C C 71 176.094 176.094 175.002 1.092 19425 4536 1 6 . 1 1 71 71 GLN CA C 71 54.030 54.030 54.478 -0.448 19425 4537 1 6 . 1 1 71 71 GLN CB C 71 33.112 33.112 32.504 0.608 19425 4538 1 6 . 1 1 71 71 GLN H H 71 7.318 7.318 7.666 -0.348 19425 4539 1 6 . 1 1 72 72 SER N N 72 116.205 116.205 117.294 -1.089 19425 4540 1 6 . 1 1 72 72 SER C C 72 174.035 174.035 173.405 0.630 19425 4541 1 6 . 1 1 72 72 SER CA C 72 58.132 58.132 58.166 -0.034 19425 4542 1 6 . 1 1 72 72 SER CB C 72 64.295 64.295 63.286 1.009 19425 4543 1 6 . 1 1 72 72 SER H H 72 8.380 8.380 8.665 -0.285 19425 4544 1 6 . 1 1 73 73 LEU N N 73 127.858 127.858 124.582 3.276 19425 4545 1 6 . 1 1 73 73 LEU C C 73 173.701 173.701 175.676 -1.975 19425 4546 1 6 . 1 1 73 73 LEU CA C 73 53.347 53.347 53.276 0.071 19425 4547 1 6 . 1 1 73 73 LEU CB C 73 45.926 45.926 44.995 0.930 19425 4548 1 6 . 1 1 73 73 LEU H H 73 9.532 9.532 8.929 0.603 19425 4549 1 6 . 1 1 74 74 SER N N 74 115.724 115.724 115.111 0.613 19425 4550 1 6 . 1 1 74 74 SER C C 74 177.541 177.541 175.920 1.621 19425 4551 1 6 . 1 1 74 74 SER CA C 74 57.905 57.905 58.011 -0.106 19425 4552 1 6 . 1 1 74 74 SER CB C 74 63.901 63.901 63.644 0.257 19425 4553 1 6 . 1 1 74 74 SER H H 74 8.240 8.240 8.232 0.008 19425 4554 1 6 . 1 1 75 75 VAL N N 75 122.994 122.994 127.768 -4.774 19425 4555 1 6 . 1 1 75 75 VAL C C 75 174.610 174.610 177.499 -2.889 19425 4556 1 6 . 1 1 75 75 VAL CA C 75 67.104 67.104 66.836 0.268 19425 4557 1 6 . 1 1 75 75 VAL CB C 75 30.953 30.953 31.084 -0.131 19425 4558 1 6 . 1 1 75 75 VAL H H 75 9.056 9.056 8.922 0.134 19425 4559 1 6 . 1 1 76 76 ARG N N 76 119.193 119.193 120.684 -1.491 19425 4560 1 6 . 1 1 76 76 ARG C C 76 178.228 178.228 178.429 -0.201 19425 4561 1 6 . 1 1 76 76 ARG CA C 76 59.087 59.087 59.899 -0.812 19425 4562 1 6 . 1 1 76 76 ARG CB C 76 29.280 29.280 29.745 -0.465 19425 4563 1 6 . 1 1 76 76 ARG H H 76 8.137 8.137 7.738 0.399 19425 4564 1 6 . 1 1 77 77 ALA N N 77 122.977 122.977 120.806 2.171 19425 4565 1 6 . 1 1 77 77 ALA C C 77 178.506 178.506 179.645 -1.139 19425 4566 1 6 . 1 1 77 77 ALA CA C 77 54.926 54.926 54.851 0.075 19425 4567 1 6 . 1 1 77 77 ALA CB C 77 18.231 18.231 18.087 0.144 19425 4568 1 6 . 1 1 77 77 ALA H H 77 7.699 7.699 7.969 -0.270 19425 4569 1 6 . 1 1 78 78 LEU N N 78 121.115 121.115 119.493 1.622 19425 4570 1 6 . 1 1 78 78 LEU C C 78 180.640 180.640 178.655 1.985 19425 4571 1 6 . 1 1 78 78 LEU CA C 78 57.985 57.985 57.601 0.384 19425 4572 1 6 . 1 1 78 78 LEU CB C 78 40.522 40.522 41.110 -0.588 19425 4573 1 6 . 1 1 78 78 LEU H H 78 8.303 8.303 8.282 0.021 19425 4574 1 6 . 1 1 79 79 GLN N N 79 116.873 116.873 117.129 -0.256 19425 4575 1 6 . 1 1 79 79 GLN C C 79 177.875 177.875 178.413 -0.538 19425 4576 1 6 . 1 1 79 79 GLN CA C 79 59.069 59.069 59.053 0.016 19425 4577 1 6 . 1 1 79 79 GLN CB C 79 27.254 27.254 28.306 -1.052 19425 4578 1 6 . 1 1 79 79 GLN H H 79 8.390 8.390 8.279 0.111 19425 4579 1 6 . 1 1 80 80 GLU N N 80 120.455 120.455 120.843 -0.388 19425 4580 1 6 . 1 1 80 80 GLU C C 80 179.749 179.749 178.574 1.175 19425 4581 1 6 . 1 1 80 80 GLU CA C 80 59.413 59.413 58.892 0.521 19425 4582 1 6 . 1 1 80 80 GLU CB C 80 29.142 29.142 29.096 0.046 19425 4583 1 6 . 1 1 80 80 GLU H H 80 7.942 7.942 7.848 0.094 19425 4584 1 6 . 1 1 81 81 MET N N 81 120.541 120.541 118.971 1.570 19425 4585 1 6 . 1 1 81 81 MET C C 81 178.599 178.599 178.535 0.064 19425 4586 1 6 . 1 1 81 81 MET CA C 81 59.665 59.665 58.309 1.357 19425 4587 1 6 . 1 1 81 81 MET CB C 81 32.534 32.534 32.327 0.207 19425 4588 1 6 . 1 1 81 81 MET H H 81 7.870 7.870 8.142 -0.272 19425 4589 1 6 . 1 1 82 82 LEU N N 82 119.662 119.662 118.383 1.279 19425 4590 1 6 . 1 1 82 82 LEU C C 82 179.638 179.638 179.805 -0.167 19425 4591 1 6 . 1 1 82 82 LEU CA C 82 57.669 57.669 57.199 0.470 19425 4592 1 6 . 1 1 82 82 LEU CB C 82 40.783 40.783 41.459 -0.676 19425 4593 1 6 . 1 1 82 82 LEU H H 82 8.488 8.488 7.887 0.601 19425 4594 1 6 . 1 1 83 83 ALA N N 83 120.827 120.827 121.829 -1.002 19425 4595 1 6 . 1 1 83 83 ALA C C 83 179.323 179.323 179.633 -0.310 19425 4596 1 6 . 1 1 83 83 ALA CA C 83 54.073 54.073 54.846 -0.773 19425 4597 1 6 . 1 1 83 83 ALA CB C 83 18.326 18.326 18.261 0.066 19425 4598 1 6 . 1 1 83 83 ALA H H 83 7.704 7.704 8.211 -0.507 19425 4599 1 6 . 1 1 84 84 ASN N N 84 115.853 115.853 114.694 1.159 19425 4600 1 6 . 1 1 84 84 ASN C C 84 178.944 178.944 176.125 2.819 19425 4601 1 6 . 1 1 84 84 ASN CA C 84 54.167 54.167 55.263 -1.095 19425 4602 1 6 . 1 1 84 84 ASN CB C 84 39.465 39.465 38.333 1.133 19425 4603 1 6 . 1 1 84 84 ASN H H 84 7.729 7.729 7.986 -0.257 19425 4604 1 6 . 1 1 85 85 THR N N 85 112.611 112.611 111.003 1.608 19425 4605 1 6 . 1 1 85 85 THR C C 85 175.569 175.569 175.244 0.325 19425 4606 1 6 . 1 1 85 85 THR CA C 85 63.086 63.086 63.029 0.057 19425 4607 1 6 . 1 1 85 85 THR CB C 85 70.071 70.071 68.868 1.204 19425 4608 1 6 . 1 1 85 85 THR H H 85 7.698 7.698 7.434 0.264 19425 4609 1 6 . 1 1 86 86 VAL N N 86 121.812 121.812 121.722 0.090 19425 4610 1 6 . 1 1 86 86 VAL C C 86 174.573 174.573 176.318 -1.745 19425 4611 1 6 . 1 1 86 86 VAL CA C 86 62.811 62.811 64.787 -1.976 19425 4612 1 6 . 1 1 86 86 VAL CB C 86 32.730 32.730 31.812 0.918 19425 4613 1 6 . 1 1 86 86 VAL H H 86 7.874 7.874 7.331 0.543 19425 4614 1 6 . 1 1 87 87 GLU N N 87 124.330 124.330 120.175 4.155 19425 4615 1 6 . 1 1 87 87 GLU C C 87 176.280 176.280 176.514 -0.234 19425 4616 1 6 . 1 1 87 87 GLU CA C 87 56.877 56.877 56.074 0.803 19425 4617 1 6 . 1 1 87 87 GLU CB C 87 29.852 29.852 28.594 1.258 19425 4618 1 6 . 1 1 87 87 GLU H H 87 8.403 8.403 8.096 0.307 19425 4619 1 6 . 1 1 88 88 LYS N N 88 122.065 122.065 122.545 -0.480 19425 4620 1 6 . 1 1 88 88 LYS C C 88 176.966 176.966 176.012 0.954 19425 4621 1 6 . 1 1 88 88 LYS CA C 88 56.799 56.799 57.217 -0.418 19425 4622 1 6 . 1 1 88 88 LYS CB C 88 32.597 32.597 31.358 1.239 19425 4623 1 6 . 1 1 88 88 LYS H H 88 8.330 8.330 8.089 0.241 19425 4624 1 6 . 1 1 89 89 SER N N 89 116.192 116.192 115.604 0.588 19425 4625 1 6 . 1 1 89 89 SER C C 89 176.865 176.865 174.663 2.202 19425 4626 1 6 . 1 1 89 89 SER CA C 89 59.008 59.008 59.028 -0.020 19425 4627 1 6 . 1 1 89 89 SER CB C 89 63.765 63.765 63.456 0.309 19425 4628 1 6 . 1 1 89 89 SER H H 89 8.247 8.247 8.524 -0.277 19425 4629 1 6 . 1 1 90 90 GLU N N 90 122.006 122.006 119.905 2.101 19425 4630 1 6 . 1 1 90 90 GLU C C 90 174.702 174.702 176.742 -2.040 19425 4631 1 6 . 1 1 90 90 GLU CA C 90 57.231 57.231 55.460 1.771 19425 4632 1 6 . 1 1 90 90 GLU CB C 90 29.442 29.442 30.972 -1.530 19425 4633 1 6 . 1 1 90 90 GLU H H 90 8.560 8.560 7.476 1.084 19425 4634 1 6 . 1 1 91 91 GLY N N 91 110.052 110.052 106.426 3.626 19425 4635 1 6 . 1 1 91 91 GLY C C 91 177.170 177.170 174.092 3.078 19425 4636 1 6 . 1 1 91 91 GLY CA C 91 45.634 45.634 44.765 0.869 19425 4637 1 6 . 1 1 91 91 GLY H H 91 8.358 8.358 8.575 -0.217 19425 4638 1 6 . 1 1 92 92 GLN N N 92 120.053 120.053 119.555 0.498 19425 4639 1 6 . 1 1 92 92 GLN C C 92 173.905 173.905 175.720 -1.815 19425 4640 1 6 . 1 1 92 92 GLN CA C 92 55.261 55.261 54.913 0.348 19425 4641 1 6 . 1 1 92 92 GLN CB C 92 29.573 29.573 29.503 0.070 19425 4642 1 6 . 1 1 92 92 GLN H H 92 8.075 8.075 8.117 -0.042 19425 4643 1 6 . 1 1 93 93 VAL N N 93 123.434 123.434 121.378 2.056 19425 4644 1 6 . 1 1 93 93 VAL C C 93 175.667 175.667 175.547 0.120 19425 4645 1 6 . 1 1 93 93 VAL CA C 93 62.914 62.914 62.324 0.591 19425 4646 1 6 . 1 1 93 93 VAL CB C 93 32.629 32.629 31.913 0.716 19425 4647 1 6 . 1 1 93 93 VAL H H 93 8.370 8.370 8.313 0.057 19425 4648 1 6 . 1 1 94 94 ASP N N 94 125.761 125.761 120.925 4.836 19425 4649 1 6 . 1 1 94 94 ASP C C 94 175.704 175.704 175.837 -0.133 19425 4650 1 6 . 1 1 94 94 ASP CA C 94 53.743 53.743 54.546 -0.803 19425 4651 1 6 . 1 1 94 94 ASP CB C 94 40.771 40.771 39.433 1.338 19425 4652 1 6 . 1 1 94 94 ASP H H 94 8.550 8.550 8.041 0.509 19425 4653 1 6 . 1 1 95 95 VAL N N 95 125.064 125.064 120.526 4.538 19425 4654 1 6 . 1 1 95 95 VAL C C 95 176.465 176.465 177.310 -0.845 19425 4655 1 6 . 1 1 95 95 VAL CA C 95 65.487 65.487 63.926 1.561 19425 4656 1 6 . 1 1 95 95 VAL CB C 95 31.773 31.773 31.723 0.050 19425 4657 1 6 . 1 1 95 95 VAL H H 95 8.300 8.300 7.587 0.713 19425 4658 1 6 . 1 1 96 96 GLU N N 96 120.880 120.880 121.786 -0.906 19425 4659 1 6 . 1 1 96 96 GLU C C 96 177.523 177.523 177.760 -0.237 19425 4660 1 6 . 1 1 96 96 GLU CA C 96 59.157 59.157 59.062 0.095 19425 4661 1 6 . 1 1 96 96 GLU CB C 96 28.575 28.575 29.374 -0.799 19425 4662 1 6 . 1 1 96 96 GLU H H 96 8.297 8.297 8.793 -0.496 19425 4663 1 6 . 1 1 97 97 LYS N N 97 121.943 121.943 119.164 2.779 19425 4664 1 6 . 1 1 97 97 LYS C C 97 179.434 179.434 178.683 0.751 19425 4665 1 6 . 1 1 97 97 LYS CA C 97 59.186 59.186 57.548 1.637 19425 4666 1 6 . 1 1 97 97 LYS CB C 97 32.036 32.036 32.600 -0.564 19425 4667 1 6 . 1 1 97 97 LYS H H 97 7.979 7.979 8.087 -0.108 19425 4668 1 6 . 1 1 98 98 TRP N N 98 121.420 121.420 122.991 -1.571 19425 4669 1 6 . 1 1 98 98 TRP C C 98 178.673 178.673 177.633 1.040 19425 4670 1 6 . 1 1 98 98 TRP CA C 98 60.176 60.176 60.567 -0.391 19425 4671 1 6 . 1 1 98 98 TRP CB C 98 29.340 29.340 29.310 0.030 19425 4672 1 6 . 1 1 98 98 TRP H H 98 8.202 8.202 8.265 -0.063 19425 4673 1 6 . 1 1 99 99 LYS N N 99 118.236 118.236 116.602 1.634 19425 4674 1 6 . 1 1 99 99 LYS C C 99 177.374 177.374 178.821 -1.447 19425 4675 1 6 . 1 1 99 99 LYS CA C 99 59.812 59.812 59.709 0.103 19425 4676 1 6 . 1 1 99 99 LYS CB C 99 32.042 32.042 31.892 0.150 19425 4677 1 6 . 1 1 99 99 LYS H H 99 8.346 8.346 8.642 -0.296 19425 4678 1 6 . 1 1 100 100 PHE N N 100 120.365 120.365 120.539 -0.174 19425 4679 1 6 . 1 1 100 100 PHE C C 100 179.193 179.193 177.157 2.036 19425 4680 1 6 . 1 1 100 100 PHE CA C 100 60.902 60.902 61.219 -0.317 19425 4681 1 6 . 1 1 100 100 PHE CB C 100 38.875 38.875 39.094 -0.219 19425 4682 1 6 . 1 1 100 100 PHE H H 100 7.916 7.916 7.715 0.201 19425 4683 1 6 . 1 1 101 101 MET N N 101 121.837 121.837 121.207 0.630 19425 4684 1 6 . 1 1 101 101 MET C C 101 178.172 178.172 178.092 0.080 19425 4685 1 6 . 1 1 101 101 MET CA C 101 58.625 58.625 57.586 1.039 19425 4686 1 6 . 1 1 101 101 MET CB C 101 32.081 32.081 32.302 -0.221 19425 4687 1 6 . 1 1 101 101 MET H H 101 8.393 8.393 8.139 0.254 19425 4688 1 6 . 1 1 102 102 MET N N 102 119.901 119.901 118.140 1.761 19425 4689 1 6 . 1 1 102 102 MET C C 102 178.655 178.655 177.498 1.157 19425 4690 1 6 . 1 1 102 102 MET CA C 102 57.867 57.867 59.088 -1.221 19425 4691 1 6 . 1 1 102 102 MET CB C 102 32.414 32.414 31.909 0.505 19425 4692 1 6 . 1 1 102 102 MET H H 102 8.174 8.174 8.173 0.001 19425 4693 1 6 . 1 1 103 103 LYS N N 103 120.555 120.555 119.703 0.852 19425 4694 1 6 . 1 1 103 103 LYS C C 103 177.857 177.857 178.974 -1.117 19425 4695 1 6 . 1 1 103 103 LYS CA C 103 58.592 58.592 59.632 -1.040 19425 4696 1 6 . 1 1 103 103 LYS CB C 103 31.816 31.816 32.135 -0.319 19425 4697 1 6 . 1 1 103 103 LYS H H 103 7.899 7.899 7.898 0.001 19425 4698 1 6 . 1 1 104 104 THR N N 104 115.450 115.450 115.398 0.052 19425 4699 1 6 . 1 1 104 104 THR C C 104 179.267 179.267 176.339 2.928 19425 4700 1 6 . 1 1 104 104 THR CA C 104 64.914 64.914 66.084 -1.170 19425 4701 1 6 . 1 1 104 104 THR CB C 104 69.103 69.103 68.682 0.421 19425 4702 1 6 . 1 1 104 104 THR H H 104 7.895 7.895 8.183 -0.288 19425 4703 1 6 . 1 1 105 105 ALA N N 105 124.862 124.862 123.623 1.239 19425 4704 1 6 . 1 1 105 105 ALA C C 105 176.057 176.057 179.320 -3.263 19425 4705 1 6 . 1 1 105 105 ALA CA C 105 54.106 54.106 55.150 -1.044 19425 4706 1 6 . 1 1 105 105 ALA CB C 105 18.493 18.493 18.067 0.426 19425 4707 1 6 . 1 1 105 105 ALA H H 105 7.896 7.896 7.941 -0.045 19425 4708 1 6 . 1 1 106 106 GLN N N 106 117.285 117.285 118.838 -1.553 19425 4709 1 6 . 1 1 106 106 GLN C C 106 178.655 178.655 178.383 0.272 19425 4710 1 6 . 1 1 106 106 GLN CA C 106 56.913 56.913 57.355 -0.442 19425 4711 1 6 . 1 1 106 106 GLN CB C 106 29.148 29.148 28.830 0.318 19425 4712 1 6 . 1 1 106 106 GLN H H 106 7.944 7.944 8.189 -0.245 19425 4713 1 6 . 1 1 107 107 GLY N N 107 107.494 107.494 106.654 0.840 19425 4714 1 6 . 1 1 107 107 GLY C C 107 177.597 177.597 175.537 2.060 19425 4715 1 6 . 1 1 107 107 GLY CA C 107 45.975 45.975 45.056 0.919 19425 4716 1 6 . 1 1 107 107 GLY H H 107 7.852 7.852 8.148 -0.296 19425 4717 1 6 . 1 1 108 108 GLY N N 108 109.642 109.642 110.528 -0.886 19425 4718 1 6 . 1 1 108 108 GLY C C 108 174.740 174.740 174.565 0.175 19425 4719 1 6 . 1 1 108 108 GLY CA C 108 45.151 45.151 45.077 0.074 19425 4720 1 6 . 1 1 108 108 GLY H H 108 8.313 8.313 8.014 0.299 19425 4721 1 6 . 1 1 109 109 GLY N N 109 108.058 108.058 107.841 0.217 19425 4722 1 6 . 1 1 109 109 GLY C C 109 174.313 174.313 172.463 1.850 19425 4723 1 6 . 1 1 109 109 GLY CA C 109 44.659 44.659 44.235 0.424 19425 4724 1 6 . 1 1 109 109 GLY H H 109 8.059 8.059 7.520 0.539 19425 4725 1 6 . 1 1 110 110 HIS N N 110 118.432 118.432 118.226 0.206 19425 4726 1 6 . 1 1 110 110 HIS C C 110 173.348 173.348 175.099 -1.751 19425 4727 1 6 . 1 1 110 110 HIS CA C 110 55.590 55.590 56.899 -1.309 19425 4728 1 6 . 1 1 110 110 HIS CB C 110 28.502 28.502 30.929 -2.427 19425 4729 1 6 . 1 1 110 110 HIS H H 110 8.261 8.261 8.212 0.049 19425 4730 1 6 . 1 1 111 111 ARG N N 111 122.052 122.052 122.193 -0.141 19425 4731 1 6 . 1 1 111 111 ARG C C 111 174.908 174.908 175.438 -0.530 19425 4732 1 6 . 1 1 111 111 ARG CA C 111 55.233 55.233 54.708 0.526 19425 4733 1 6 . 1 1 111 111 ARG CB C 111 31.125 31.125 33.271 -2.146 19425 4734 1 6 . 1 1 111 111 ARG H H 111 8.597 8.597 9.000 -0.403 19425 4735 1 6 . 1 1 112 112 THR N N 112 120.248 120.248 118.616 1.632 19425 4736 1 6 . 1 1 112 112 THR C C 112 176.447 176.447 174.487 1.960 19425 4737 1 6 . 1 1 112 112 THR CA C 112 63.723 63.723 63.070 0.653 19425 4738 1 6 . 1 1 112 112 THR CB C 112 68.984 68.984 69.587 -0.603 19425 4739 1 6 . 1 1 112 112 THR H H 112 8.577 8.577 8.399 0.178 19425 4740 1 6 . 1 1 113 113 LEU N N 113 130.382 130.382 126.340 4.042 19425 4741 1 6 . 1 1 113 113 LEU C C 113 174.294 174.294 175.247 -0.953 19425 4742 1 6 . 1 1 113 113 LEU CA C 113 56.791 56.791 55.028 1.763 19425 4743 1 6 . 1 1 113 113 LEU CB C 113 41.705 41.705 42.700 -0.995 19425 4744 1 6 . 1 1 113 113 LEU H H 113 8.515 8.515 8.802 -0.287 19425 4745 1 6 . 1 1 114 114 LEU N N 114 118.829 118.829 122.469 -3.640 19425 4746 1 6 . 1 1 114 114 LEU C C 114 175.278 175.278 176.787 -1.509 19425 4747 1 6 . 1 1 114 114 LEU CA C 114 51.667 51.667 52.703 -1.036 19425 4748 1 6 . 1 1 114 114 LEU CB C 114 42.454 42.454 43.918 -1.464 19425 4749 1 6 . 1 1 114 114 LEU H H 114 6.454 6.454 8.039 -1.585 19425 4750 1 6 . 1 1 115 115 TYR N N 115 119.059 119.059 121.288 -2.229 19425 4751 1 6 . 1 1 115 115 TYR C C 115 177.152 177.152 177.309 -0.157 19425 4752 1 6 . 1 1 115 115 TYR CA C 115 62.452 62.452 60.912 1.540 19425 4753 1 6 . 1 1 115 115 TYR CB C 115 38.058 38.058 38.398 -0.340 19425 4754 1 6 . 1 1 115 115 TYR H H 115 8.797 8.797 8.531 0.266 19425 4755 1 6 . 1 1 116 116 GLY N N 116 115.795 115.795 110.603 5.192 19425 4756 1 6 . 1 1 116 116 GLY C C 116 178.061 178.061 174.223 3.838 19425 4757 1 6 . 1 1 116 116 GLY CA C 116 45.100 45.100 45.443 -0.343 19425 4758 1 6 . 1 1 116 116 GLY H H 116 9.672 9.672 9.072 0.600 19425 4759 1 6 . 1 1 117 117 HIS N N 117 122.193 122.193 121.622 0.571 19425 4760 1 6 . 1 1 117 117 HIS C C 117 175.463 175.463 173.803 1.660 19425 4761 1 6 . 1 1 117 117 HIS CA C 117 56.119 56.119 56.054 0.065 19425 4762 1 6 . 1 1 117 117 HIS CB C 117 32.293 32.293 30.285 2.008 19425 4763 1 6 . 1 1 117 117 HIS H H 117 8.113 8.113 7.676 0.437 19425 4764 1 6 . 1 1 118 118 ALA N N 118 120.893 120.893 126.441 -5.548 19425 4765 1 6 . 1 1 118 118 ALA C C 118 173.775 173.775 176.098 -2.323 19425 4766 1 6 . 1 1 118 118 ALA CA C 118 50.378 50.378 51.376 -0.998 19425 4767 1 6 . 1 1 118 118 ALA CB C 118 21.646 21.646 19.585 2.061 19425 4768 1 6 . 1 1 118 118 ALA H H 118 9.458 9.458 8.849 0.609 19425 4769 1 6 . 1 1 120 120 LEU N N 120 119.631 119.631 123.653 -4.022 19425 4770 1 6 . 1 1 120 120 LEU C C 120 173.367 173.367 174.716 -1.349 19425 4771 1 6 . 1 1 120 120 LEU CA C 120 56.217 56.217 52.885 3.332 19425 4772 1 6 . 1 1 120 120 LEU CB C 120 39.519 39.519 44.107 -4.588 19425 4773 1 6 . 1 1 120 120 LEU H H 120 8.746 8.746 8.268 0.478 19425 4774 1 6 . 1 1 121 121 LEU N N 121 118.900 118.900 127.018 -8.118 19425 4775 1 6 . 1 1 121 121 LEU C C 121 171.400 171.400 175.724 -4.324 19425 4776 1 6 . 1 1 121 121 LEU CA C 121 52.852 52.852 53.722 -0.870 19425 4777 1 6 . 1 1 121 121 LEU CB C 121 43.452 43.452 42.780 0.672 19425 4778 1 6 . 1 1 121 121 LEU H H 121 8.590 8.590 8.608 -0.018 19425 4779 1 6 . 1 1 122 122 ARG N N 122 123.588 123.588 124.987 -1.399 19425 4780 1 6 . 1 1 122 122 ARG C C 122 176.465 176.465 175.480 0.985 19425 4781 1 6 . 1 1 122 122 ARG CA C 122 54.403 54.403 54.005 0.398 19425 4782 1 6 . 1 1 122 122 ARG CB C 122 32.897 32.897 31.700 1.197 19425 4783 1 6 . 1 1 122 122 ARG H H 122 9.077 9.077 8.794 0.283 19425 4784 1 6 . 1 1 123 123 HIS N N 123 131.440 131.440 127.627 3.813 19425 4785 1 6 . 1 1 123 123 HIS C C 123 175.704 175.704 175.569 0.135 19425 4786 1 6 . 1 1 123 123 HIS CA C 123 56.637 56.637 56.821 -0.184 19425 4787 1 6 . 1 1 123 123 HIS CB C 123 31.261 31.261 30.113 1.148 19425 4788 1 6 . 1 1 123 123 HIS H H 123 9.622 9.622 8.499 1.123 19425 4789 1 6 . 1 1 124 124 SER N N 124 127.024 127.024 125.246 1.778 19425 4790 1 6 . 1 1 124 124 SER C C 124 175.686 175.686 175.478 0.208 19425 4791 1 6 . 1 1 124 124 SER CA C 124 62.010 62.010 61.257 0.753 19425 4792 1 6 . 1 1 124 124 SER CB C 124 62.912 62.912 62.833 0.079 19425 4793 1 6 . 1 1 124 124 SER H H 124 7.840 7.840 7.804 0.036 19425 4794 1 6 . 1 1 125 125 TYR N N 125 119.708 119.708 120.448 -0.740 19425 4795 1 6 . 1 1 125 125 TYR C C 125 180.696 180.696 177.016 3.680 19425 4796 1 6 . 1 1 125 125 TYR CA C 125 60.903 60.903 60.730 0.173 19425 4797 1 6 . 1 1 125 125 TYR CB C 125 38.744 38.744 38.566 0.178 19425 4798 1 6 . 1 1 125 125 TYR H H 125 8.746 8.746 7.422 1.324 19425 4799 1 6 . 1 1 126 126 SER N N 126 110.333 110.333 112.782 -2.449 19425 4800 1 6 . 1 1 126 126 SER C C 126 176.543 176.543 176.240 0.303 19425 4801 1 6 . 1 1 126 126 SER CA C 126 59.366 59.366 59.762 -0.396 19425 4802 1 6 . 1 1 126 126 SER CB C 126 65.282 65.282 64.820 0.462 19425 4803 1 6 . 1 1 126 126 SER H H 126 7.004 7.004 8.167 -1.163 19425 4804 1 6 . 1 1 127 127 GLY N N 127 113.322 113.322 111.322 2.000 19425 4805 1 6 . 1 1 127 127 GLY C C 127 176.428 176.428 174.274 2.154 19425 4806 1 6 . 1 1 127 127 GLY CA C 127 46.064 46.064 45.404 0.660 19425 4807 1 6 . 1 1 127 127 GLY H H 127 8.181 8.181 8.477 -0.296 19425 4808 1 6 . 1 1 128 128 MET N N 128 118.598 118.598 119.331 -0.733 19425 4809 1 6 . 1 1 128 128 MET C C 128 173.200 173.200 175.112 -1.912 19425 4810 1 6 . 1 1 128 128 MET CA C 128 55.429 55.429 56.551 -1.122 19425 4811 1 6 . 1 1 128 128 MET CB C 128 35.988 35.988 34.220 1.768 19425 4812 1 6 . 1 1 128 128 MET H H 128 7.551 7.551 7.454 0.097 19425 4813 1 6 . 1 1 129 129 TYR N N 129 116.715 116.715 114.405 2.310 19425 4814 1 6 . 1 1 129 129 TYR C C 129 172.884 172.884 175.823 -2.939 19425 4815 1 6 . 1 1 129 129 TYR CA C 129 58.658 58.658 57.142 1.516 19425 4816 1 6 . 1 1 129 129 TYR CB C 129 40.914 40.914 41.295 -0.381 19425 4817 1 6 . 1 1 129 129 TYR H H 129 8.923 8.923 8.556 0.367 19425 4818 1 6 . 1 1 130 130 LEU N N 130 123.061 123.061 124.988 -1.927 19425 4819 1 6 . 1 1 130 130 LEU C C 130 176.677 176.677 176.472 0.205 19425 4820 1 6 . 1 1 130 130 LEU CA C 130 56.311 56.311 56.281 0.030 19425 4821 1 6 . 1 1 130 130 LEU CB C 130 42.909 42.909 42.396 0.513 19425 4822 1 6 . 1 1 130 130 LEU H H 130 8.236 8.236 9.003 -0.767 19425 4823 1 6 . 1 1 131 131 CYS N N 131 126.618 126.618 127.910 -1.292 19425 4824 1 6 . 1 1 131 131 CYS C C 131 177.616 177.616 173.040 4.576 19425 4825 1 6 . 1 1 131 131 CYS CA C 131 57.028 57.028 57.104 -0.076 19425 4826 1 6 . 1 1 131 131 CYS CB C 131 32.339 32.339 30.552 1.787 19425 4827 1 6 . 1 1 131 131 CYS H H 131 9.516 9.516 9.534 -0.018 19425 4828 1 6 . 1 1 132 132 CYS N N 132 124.860 124.860 127.141 -2.281 19425 4829 1 6 . 1 1 132 132 CYS C C 132 172.309 172.309 174.320 -2.011 19425 4830 1 6 . 1 1 132 132 CYS CA C 132 59.436 59.436 57.760 1.676 19425 4831 1 6 . 1 1 132 132 CYS CB C 132 27.383 27.383 26.197 1.186 19425 4832 1 6 . 1 1 132 132 CYS H H 132 8.142 8.142 8.202 -0.060 19425 4833 1 6 . 1 1 133 133 LEU N N 133 131.382 131.382 128.036 3.346 19425 4834 1 6 . 1 1 133 133 LEU C C 133 174.035 174.035 177.591 -3.556 19425 4835 1 6 . 1 1 133 133 LEU CA C 133 54.799 54.799 54.354 0.445 19425 4836 1 6 . 1 1 133 133 LEU CB C 133 41.109 41.109 42.531 -1.422 19425 4837 1 6 . 1 1 133 133 LEU H H 133 9.008 9.008 8.216 0.792 19425 4838 1 6 . 1 1 134 134 SER N N 134 112.103 112.103 114.248 -2.145 19425 4839 1 6 . 1 1 134 134 SER C C 134 175.519 175.519 174.175 1.344 19425 4840 1 6 . 1 1 134 134 SER CA C 134 58.320 58.320 57.967 0.353 19425 4841 1 6 . 1 1 134 134 SER CB C 134 63.979 63.979 62.838 1.141 19425 4842 1 6 . 1 1 134 134 SER H H 134 8.229 8.229 8.488 -0.259 19425 4843 1 6 . 1 1 135 135 THR N N 135 111.693 111.693 111.967 -0.274 19425 4844 1 6 . 1 1 135 135 THR C C 135 174.535 174.535 174.956 -0.421 19425 4845 1 6 . 1 1 135 135 THR CA C 135 60.703 60.703 61.002 -0.299 19425 4846 1 6 . 1 1 135 135 THR CB C 135 70.624 70.624 70.256 0.368 19425 4847 1 6 . 1 1 135 135 THR H H 135 7.292 7.292 7.342 -0.050 19425 4848 1 6 . 1 1 136 136 SER N N 136 117.260 117.260 122.796 -5.536 19425 4849 1 6 . 1 1 136 136 SER C C 136 173.478 173.478 174.810 -1.332 19425 4850 1 6 . 1 1 136 136 SER CA C 136 57.537 57.537 61.147 -3.610 19425 4851 1 6 . 1 1 136 136 SER CB C 136 64.593 64.593 63.697 0.896 19425 4852 1 6 . 1 1 136 136 SER H H 136 8.544 8.544 9.119 -0.575 19425 4853 1 6 . 1 1 137 137 ARG N N 137 124.804 124.804 116.035 8.769 19425 4854 1 6 . 1 1 137 137 ARG C C 137 175.000 175.000 175.792 -0.792 19425 4855 1 6 . 1 1 137 137 ARG CA C 137 56.922 56.922 57.140 -0.218 19425 4856 1 6 . 1 1 137 137 ARG CB C 137 30.733 30.733 31.506 -0.773 19425 4857 1 6 . 1 1 137 137 ARG H H 137 9.231 9.231 7.669 1.562 19425 4858 1 6 . 1 1 138 138 SER N N 138 126.225 126.225 114.009 12.216 19425 4859 1 6 . 1 1 138 138 SER C C 138 175.871 175.871 174.519 1.352 19425 4860 1 6 . 1 1 138 138 SER CA C 138 61.891 61.891 58.125 3.766 19425 4861 1 6 . 1 1 138 138 SER CB C 138 62.730 62.730 65.233 -2.503 19425 4862 1 6 . 1 1 138 138 SER H H 138 7.891 7.891 8.223 -0.332 19425 4863 1 6 . 1 1 140 140 THR N N 140 114.799 114.799 113.782 1.017 19425 4864 1 6 . 1 1 140 140 THR C C 140 173.756 173.756 173.929 -0.173 19425 4865 1 6 . 1 1 140 140 THR CA C 140 62.895 62.895 62.978 -0.083 19425 4866 1 6 . 1 1 140 140 THR CB C 140 69.332 69.332 68.499 0.833 19425 4867 1 6 . 1 1 140 140 THR H H 140 8.168 8.168 8.223 -0.055 19425 4868 1 6 . 1 1 141 141 ASP N N 141 121.772 121.772 125.859 -4.087 19425 4869 1 6 . 1 1 141 141 ASP C C 141 174.795 174.795 174.870 -0.075 19425 4870 1 6 . 1 1 141 141 ASP CA C 141 54.001 54.001 53.122 0.879 19425 4871 1 6 . 1 1 141 141 ASP CB C 141 40.914 40.914 43.627 -2.713 19425 4872 1 6 . 1 1 141 141 ASP H H 141 8.049 8.049 8.274 -0.225 19425 4873 1 6 . 1 1 142 142 LYS N N 142 121.585 121.585 121.366 0.219 19425 4874 1 6 . 1 1 142 142 LYS C C 142 176.274 176.274 176.383 -0.109 19425 4875 1 6 . 1 1 142 142 LYS CA C 142 57.106 57.106 56.037 1.069 19425 4876 1 6 . 1 1 142 142 LYS CB C 142 31.369 31.369 33.035 -1.666 19425 4877 1 6 . 1 1 142 142 LYS H H 142 8.376 8.376 8.337 0.039 19425 4878 1 6 . 1 1 143 143 LEU N N 143 119.604 119.604 118.597 1.007 19425 4879 1 6 . 1 1 143 143 LEU C C 143 176.798 176.798 176.517 0.281 19425 4880 1 6 . 1 1 143 143 LEU CA C 143 55.261 55.261 55.289 -0.028 19425 4881 1 6 . 1 1 143 143 LEU CB C 143 41.487 41.487 41.301 0.186 19425 4882 1 6 . 1 1 143 143 LEU H H 143 8.262 8.262 8.174 0.088 19425 4883 1 6 . 1 1 144 144 ALA N N 144 123.881 123.881 120.505 3.376 19425 4884 1 6 . 1 1 144 144 ALA C C 144 176.410 176.410 177.311 -0.901 19425 4885 1 6 . 1 1 144 144 ALA CA C 144 51.335 51.335 53.054 -1.719 19425 4886 1 6 . 1 1 144 144 ALA CB C 144 20.924 20.924 19.477 1.446 19425 4887 1 6 . 1 1 144 144 ALA H H 144 7.614 7.614 8.041 -0.427 19425 4888 1 6 . 1 1 145 145 PHE N N 145 120.083 120.083 119.750 0.333 19425 4889 1 6 . 1 1 145 145 PHE C C 145 176.948 176.948 175.617 1.331 19425 4890 1 6 . 1 1 145 145 PHE CA C 145 55.872 55.872 56.871 -0.999 19425 4891 1 6 . 1 1 145 145 PHE CB C 145 42.468 42.468 41.286 1.182 19425 4892 1 6 . 1 1 145 145 PHE H H 145 8.647 8.647 8.554 0.093 19425 4893 1 6 . 1 1 146 146 ASP N N 146 119.893 119.893 120.097 -0.204 19425 4894 1 6 . 1 1 146 146 ASP C C 146 175.519 175.519 174.428 1.091 19425 4895 1 6 . 1 1 146 146 ASP CA C 146 54.679 54.679 54.393 0.286 19425 4896 1 6 . 1 1 146 146 ASP CB C 146 42.169 42.169 42.966 -0.797 19425 4897 1 6 . 1 1 146 146 ASP H H 146 8.692 8.692 8.942 -0.250 19425 4898 1 6 . 1 1 147 147 VAL N N 147 118.800 118.800 121.830 -3.030 19425 4899 1 6 . 1 1 147 147 VAL C C 147 174.053 174.053 175.610 -1.557 19425 4900 1 6 . 1 1 147 147 VAL CA C 147 60.671 60.671 61.346 -0.675 19425 4901 1 6 . 1 1 147 147 VAL CB C 147 35.326 35.326 33.427 1.899 19425 4902 1 6 . 1 1 147 147 VAL H H 147 8.224 8.224 8.611 -0.387 19425 4903 1 6 . 1 1 148 148 GLY N N 148 113.226 113.226 114.291 -1.065 19425 4904 1 6 . 1 1 148 148 GLY C C 148 175.141 175.141 172.154 2.987 19425 4905 1 6 . 1 1 148 148 GLY CA C 148 45.384 45.384 44.112 1.272 19425 4906 1 6 . 1 1 148 148 GLY H H 148 8.594 8.594 8.970 -0.376 19425 4907 1 6 . 1 1 149 149 LEU N N 149 120.880 120.880 119.604 1.276 19425 4908 1 6 . 1 1 149 149 LEU C C 149 170.973 170.973 175.236 -4.263 19425 4909 1 6 . 1 1 149 149 LEU CA C 149 53.299 53.299 53.637 -0.338 19425 4910 1 6 . 1 1 149 149 LEU CB C 149 43.938 43.938 45.520 -1.582 19425 4911 1 6 . 1 1 149 149 LEU H H 149 8.303 8.303 8.133 0.170 19425 4912 1 6 . 1 1 150 150 GLN N N 150 118.978 118.978 120.243 -1.265 19425 4913 1 6 . 1 1 150 150 GLN C C 150 177.133 177.133 175.916 1.217 19425 4914 1 6 . 1 1 150 150 GLN CA C 150 54.723 54.723 54.967 -0.244 19425 4915 1 6 . 1 1 150 150 GLN CB C 150 32.690 32.690 32.357 0.333 19425 4916 1 6 . 1 1 150 150 GLN H H 150 9.115 9.115 8.701 0.414 19425 4917 1 6 . 1 1 151 151 GLU N N 151 121.344 121.344 124.734 -3.390 19425 4918 1 6 . 1 1 151 151 GLU C C 151 175.333 175.333 176.042 -0.709 19425 4919 1 6 . 1 1 151 151 GLU CA C 151 59.140 59.140 58.566 0.574 19425 4920 1 6 . 1 1 151 151 GLU CB C 151 30.735 30.735 29.867 0.868 19425 4921 1 6 . 1 1 151 151 GLU H H 151 9.142 9.142 8.829 0.313 19425 4922 1 6 . 1 1 152 152 ASP N N 152 117.494 117.494 118.372 -0.878 19425 4923 1 6 . 1 1 152 152 ASP C C 152 176.391 176.391 176.765 -0.374 19425 4924 1 6 . 1 1 152 152 ASP CA C 152 54.139 54.139 54.598 -0.459 19425 4925 1 6 . 1 1 152 152 ASP CB C 152 41.920 41.920 41.557 0.363 19425 4926 1 6 . 1 1 152 152 ASP H H 152 8.023 8.023 8.159 -0.136 19425 4927 1 6 . 1 1 153 153 THR N N 153 111.969 111.969 107.814 4.155 19425 4928 1 6 . 1 1 153 153 THR C C 153 175.964 175.964 174.818 1.146 19425 4929 1 6 . 1 1 153 153 THR CA C 153 61.894 61.894 62.047 -0.152 19425 4930 1 6 . 1 1 153 153 THR CB C 153 68.903 68.903 69.167 -0.264 19425 4931 1 6 . 1 1 153 153 THR H H 153 7.985 7.985 8.038 -0.053 19425 4932 1 6 . 1 1 154 154 THR N N 154 113.978 113.978 113.360 0.618 19425 4933 1 6 . 1 1 154 154 THR C C 154 175.000 175.000 175.150 -0.150 19425 4934 1 6 . 1 1 154 154 THR CA C 154 62.359 62.359 62.797 -0.438 19425 4935 1 6 . 1 1 154 154 THR CB C 154 69.210 69.210 68.651 0.559 19425 4936 1 6 . 1 1 154 154 THR H H 154 7.790 7.790 7.628 0.162 19425 4937 1 6 . 1 1 155 155 GLY N N 155 108.411 108.411 114.420 -6.009 19425 4938 1 6 . 1 1 155 155 GLY C C 155 174.702 174.702 172.478 2.224 19425 4939 1 6 . 1 1 155 155 GLY CA C 155 44.737 44.737 44.694 0.043 19425 4940 1 6 . 1 1 155 155 GLY H H 155 7.639 7.639 8.139 -0.500 19425 4941 1 6 . 1 1 156 156 GLU N N 156 118.666 118.666 120.496 -1.830 19425 4942 1 6 . 1 1 156 156 GLU C C 156 173.571 173.571 177.865 -4.294 19425 4943 1 6 . 1 1 156 156 GLU CA C 156 59.352 59.352 56.976 2.376 19425 4944 1 6 . 1 1 156 156 GLU CB C 156 31.248 31.248 30.338 0.910 19425 4945 1 6 . 1 1 156 156 GLU H H 156 8.606 8.606 8.715 -0.109 19425 4946 1 6 . 1 1 157 157 ALA N N 157 118.664 118.664 123.765 -5.101 19425 4947 1 6 . 1 1 157 157 ALA C C 157 177.727 177.727 178.370 -0.643 19425 4948 1 6 . 1 1 157 157 ALA CA C 157 55.063 55.063 54.711 0.352 19425 4949 1 6 . 1 1 157 157 ALA CB C 157 18.856 18.856 18.296 0.560 19425 4950 1 6 . 1 1 157 157 ALA H H 157 8.159 8.159 8.491 -0.332 19425 4951 1 6 . 1 1 158 158 CYS N N 158 114.681 114.681 114.920 -0.239 19425 4952 1 6 . 1 1 158 158 CYS C C 158 179.972 179.972 173.668 6.304 19425 4953 1 6 . 1 1 158 158 CYS CA C 158 57.585 57.585 58.785 -1.200 19425 4954 1 6 . 1 1 158 158 CYS CB C 158 27.977 27.977 26.773 1.204 19425 4955 1 6 . 1 1 158 158 CYS H H 158 7.973 7.973 8.227 -0.254 19425 4956 1 6 . 1 1 165 165 ALA N N 165 122.416 122.416 128.467 -6.051 19425 4957 1 6 . 1 1 165 165 ALA C C 165 176.743 176.743 177.729 -0.986 19425 4958 1 6 . 1 1 165 165 ALA CA C 165 52.390 52.390 53.897 -1.507 19425 4959 1 6 . 1 1 165 165 ALA CB C 165 20.486 20.486 19.356 1.130 19425 4960 1 6 . 1 1 165 165 ALA H H 165 8.190 8.190 8.567 -0.377 19425 4961 1 6 . 1 1 166 166 SER N N 166 111.681 111.681 112.535 -0.854 19425 4962 1 6 . 1 1 166 166 SER C C 166 176.876 176.876 174.445 2.431 19425 4963 1 6 . 1 1 166 166 SER CA C 166 56.863 56.863 57.166 -0.303 19425 4964 1 6 . 1 1 166 166 SER CB C 166 65.738 65.738 64.609 1.129 19425 4965 1 6 . 1 1 166 166 SER H H 166 7.690 7.690 7.689 0.001 19425 4966 1 6 . 1 1 167 167 LYS N N 167 121.655 121.655 120.014 1.641 19425 4967 1 6 . 1 1 167 167 LYS C C 167 175.241 175.241 176.601 -1.360 19425 4968 1 6 . 1 1 167 167 LYS CA C 167 55.297 55.297 56.938 -1.641 19425 4969 1 6 . 1 1 167 167 LYS CB C 167 31.364 31.364 32.636 -1.272 19425 4970 1 6 . 1 1 167 167 LYS H H 167 8.230 8.230 8.525 -0.295 19425 4971 1 6 . 1 1 168 168 GLN N N 168 117.832 117.832 117.675 0.157 19425 4972 1 6 . 1 1 168 168 GLN C C 168 176.836 176.836 176.305 0.531 19425 4973 1 6 . 1 1 168 168 GLN CA C 168 57.366 57.366 56.368 0.998 19425 4974 1 6 . 1 1 168 168 GLN CB C 168 28.979 28.979 28.787 0.192 19425 4975 1 6 . 1 1 168 168 GLN H H 168 8.134 8.134 8.107 0.027 19425 4976 1 6 . 1 1 169 169 ARG N N 169 117.052 117.052 119.247 -2.195 19425 4977 1 6 . 1 1 169 169 ARG C C 169 175.946 175.946 175.564 0.382 19425 4978 1 6 . 1 1 169 169 ARG CA C 169 52.885 52.885 53.859 -0.974 19425 4979 1 6 . 1 1 169 169 ARG CB C 169 32.795 32.795 30.910 1.885 19425 4980 1 6 . 1 1 169 169 ARG H H 169 7.209 7.209 7.605 -0.396 19425 4981 1 6 . 1 1 170 170 SER N N 170 114.335 114.335 116.569 -2.234 19425 4982 1 6 . 1 1 170 170 SER C C 170 174.387 174.387 173.553 0.834 19425 4983 1 6 . 1 1 170 170 SER CA C 170 56.976 56.976 56.839 0.137 19425 4984 1 6 . 1 1 170 170 SER CB C 170 66.348 66.348 65.474 0.874 19425 4985 1 6 . 1 1 170 170 SER H H 170 8.279 8.279 8.746 -0.467 19425 4986 1 6 . 1 1 171 171 GLU N N 171 121.428 121.428 123.825 -2.397 19425 4987 1 6 . 1 1 171 171 GLU C C 171 173.293 173.293 176.836 -3.543 19425 4988 1 6 . 1 1 171 171 GLU CA C 171 58.658 58.658 57.056 1.603 19425 4989 1 6 . 1 1 171 171 GLU CB C 171 28.693 28.693 28.473 0.220 19425 4990 1 6 . 1 1 171 171 GLU H H 171 8.540 8.540 8.743 -0.203 19425 4991 1 6 . 1 1 172 172 GLY N N 172 113.162 113.162 114.337 -1.175 19425 4992 1 6 . 1 1 172 172 GLY C C 172 177.504 177.504 173.999 3.505 19425 4993 1 6 . 1 1 172 172 GLY CA C 172 45.452 45.452 45.293 0.159 19425 4994 1 6 . 1 1 172 172 GLY H H 172 8.676 8.676 8.746 -0.070 19425 4995 1 6 . 1 1 173 173 GLU N N 173 119.545 119.545 121.337 -1.792 19425 4996 1 6 . 1 1 173 173 GLU C C 173 173.311 173.311 176.370 -3.059 19425 4997 1 6 . 1 1 173 173 GLU CA C 173 55.689 55.689 55.563 0.126 19425 4998 1 6 . 1 1 173 173 GLU CB C 173 31.204 31.204 31.353 -0.149 19425 4999 1 6 . 1 1 173 173 GLU H H 173 7.805 7.805 7.715 0.090 19425 5000 1 6 . 1 1 174 174 LYS N N 174 120.834 120.834 122.079 -1.245 19425 5001 1 6 . 1 1 174 174 LYS C C 174 175.352 175.352 176.464 -1.112 19425 5002 1 6 . 1 1 174 174 LYS CA C 174 57.207 57.207 57.610 -0.403 19425 5003 1 6 . 1 1 174 174 LYS CB C 174 34.185 34.185 32.757 1.428 19425 5004 1 6 . 1 1 174 174 LYS H H 174 8.215 8.215 8.470 -0.255 19425 5005 1 6 . 1 1 175 175 VAL N N 175 122.529 122.529 124.285 -1.756 19425 5006 1 6 . 1 1 175 175 VAL C C 175 176.595 176.595 175.519 1.076 19425 5007 1 6 . 1 1 175 175 VAL CA C 175 63.046 63.046 62.182 0.864 19425 5008 1 6 . 1 1 175 175 VAL CB C 175 31.265 31.265 31.687 -0.422 19425 5009 1 6 . 1 1 175 175 VAL H H 175 7.914 7.914 8.566 -0.652 19425 5010 1 6 . 1 1 176 176 ARG N N 176 127.622 127.622 127.531 0.091 19425 5011 1 6 . 1 1 176 176 ARG C C 176 175.742 175.742 176.796 -1.054 19425 5012 1 6 . 1 1 176 176 ARG CA C 176 55.767 55.767 54.525 1.242 19425 5013 1 6 . 1 1 176 176 ARG CB C 176 30.480 30.480 31.433 -0.953 19425 5014 1 6 . 1 1 176 176 ARG H H 176 7.570 7.570 9.277 -1.707 19425 5015 1 6 . 1 1 177 177 VAL N N 177 122.521 122.521 122.873 -0.352 19425 5016 1 6 . 1 1 177 177 VAL C C 177 177.523 177.523 177.416 0.107 19425 5017 1 6 . 1 1 177 177 VAL CA C 177 65.322 65.322 64.073 1.249 19425 5018 1 6 . 1 1 177 177 VAL CB C 177 31.431 31.431 30.592 0.839 19425 5019 1 6 . 1 1 177 177 VAL H H 177 8.276 8.276 7.959 0.317 19425 5020 1 6 . 1 1 179 179 ASP N N 179 122.577 122.577 124.064 -1.487 19425 5021 1 6 . 1 1 179 179 ASP C C 179 174.554 174.554 175.562 -1.008 19425 5022 1 6 . 1 1 179 179 ASP CA C 179 54.687 54.687 54.870 -0.183 19425 5023 1 6 . 1 1 179 179 ASP CB C 179 40.417 40.417 41.468 -1.051 19425 5024 1 6 . 1 1 179 179 ASP H H 179 7.848 7.848 7.936 -0.088 19425 5025 1 6 . 1 1 180 180 ASP N N 180 121.916 121.916 124.109 -2.193 19425 5026 1 6 . 1 1 180 180 ASP C C 180 174.610 174.610 176.189 -1.579 19425 5027 1 6 . 1 1 180 180 ASP CA C 180 54.379 54.379 55.302 -0.923 19425 5028 1 6 . 1 1 180 180 ASP CB C 180 42.178 42.178 40.959 1.219 19425 5029 1 6 . 1 1 180 180 ASP H H 180 8.521 8.521 8.534 -0.013 19425 5030 1 6 . 1 1 181 181 LEU N N 181 121.499 121.499 123.367 -1.868 19425 5031 1 6 . 1 1 181 181 LEU C C 181 175.166 175.166 176.740 -1.574 19425 5032 1 6 . 1 1 181 181 LEU CA C 181 54.379 54.379 53.745 0.634 19425 5033 1 6 . 1 1 181 181 LEU CB C 181 45.395 45.395 44.424 0.971 19425 5034 1 6 . 1 1 181 181 LEU H H 181 9.782 9.782 9.051 0.731 19425 5035 1 6 . 1 1 185 185 SER N N 185 122.939 122.939 122.129 0.810 19425 5036 1 6 . 1 1 185 185 SER C C 185 175.871 175.871 175.593 0.278 19425 5037 1 6 . 1 1 185 185 SER CA C 185 57.514 57.514 57.986 -0.472 19425 5038 1 6 . 1 1 185 185 SER CB C 185 62.772 62.772 63.295 -0.523 19425 5039 1 6 . 1 1 185 185 SER H H 185 9.183 9.183 8.924 0.259 19425 5040 1 6 . 1 1 186 186 VAL N N 186 131.799 131.799 129.548 2.251 19425 5041 1 6 . 1 1 186 186 VAL C C 186 177.226 177.226 177.227 -0.001 19425 5042 1 6 . 1 1 186 186 VAL CA C 186 65.883 65.883 65.613 0.270 19425 5043 1 6 . 1 1 186 186 VAL CB C 186 31.190 31.190 31.789 -0.599 19425 5044 1 6 . 1 1 186 186 VAL H H 186 8.285 8.285 8.519 -0.234 19425 5045 1 6 . 1 1 187 187 SER N N 187 110.228 110.228 114.870 -4.642 19425 5046 1 6 . 1 1 187 187 SER C C 187 177.077 177.077 175.417 1.660 19425 5047 1 6 . 1 1 187 187 SER CA C 187 60.200 60.200 60.236 -0.036 19425 5048 1 6 . 1 1 187 187 SER CB C 187 62.264 62.264 63.609 -1.345 19425 5049 1 6 . 1 1 187 187 SER H H 187 7.000 7.000 7.868 -0.868 19425 5050 1 6 . 1 1 188 188 SER N N 188 115.022 115.022 115.283 -0.261 19425 5051 1 6 . 1 1 188 188 SER C C 188 176.632 176.632 173.047 3.585 19425 5052 1 6 . 1 1 188 188 SER CA C 188 58.889 58.889 58.358 0.531 19425 5053 1 6 . 1 1 188 188 SER CB C 188 66.818 66.818 64.494 2.324 19425 5054 1 6 . 1 1 188 188 SER H H 188 7.886 7.886 7.533 0.353 19425 5055 1 6 . 1 1 189 189 GLU N N 189 118.477 118.477 118.892 -0.415 19425 5056 1 6 . 1 1 189 189 GLU C C 189 175.000 175.000 174.460 0.540 19425 5057 1 6 . 1 1 189 189 GLU CA C 189 58.562 58.562 57.910 0.652 19425 5058 1 6 . 1 1 189 189 GLU CB C 189 27.420 27.420 27.540 -0.120 19425 5059 1 6 . 1 1 189 189 GLU H H 189 7.929 7.929 8.292 -0.363 19425 5060 1 6 . 1 1 190 190 ARG N N 190 116.828 116.828 116.912 -0.084 19425 5061 1 6 . 1 1 190 190 ARG C C 190 173.868 173.868 175.917 -2.049 19425 5062 1 6 . 1 1 190 190 ARG CA C 190 54.238 54.238 54.465 -0.228 19425 5063 1 6 . 1 1 190 190 ARG CB C 190 32.141 32.141 33.034 -0.893 19425 5064 1 6 . 1 1 190 190 ARG H H 190 6.723 6.723 7.254 -0.531 19425 5065 1 6 . 1 1 191 191 TYR N N 191 118.733 118.733 121.244 -2.511 19425 5066 1 6 . 1 1 191 191 TYR C C 191 174.368 174.368 177.362 -2.994 19425 5067 1 6 . 1 1 191 191 TYR CA C 191 57.405 57.405 58.674 -1.269 19425 5068 1 6 . 1 1 191 191 TYR CB C 191 39.444 39.444 39.476 -0.032 19425 5069 1 6 . 1 1 191 191 TYR H H 191 8.912 8.912 9.007 -0.095 19425 5070 1 6 . 1 1 192 192 LEU N N 192 123.460 123.460 124.603 -1.143 19425 5071 1 6 . 1 1 192 192 LEU C C 192 176.753 176.753 176.083 0.670 19425 5072 1 6 . 1 1 192 192 LEU CA C 192 57.061 57.061 54.206 2.855 19425 5073 1 6 . 1 1 192 192 LEU CB C 192 41.351 41.351 40.594 0.757 19425 5074 1 6 . 1 1 192 192 LEU H H 192 8.836 8.836 8.920 -0.084 19425 5075 1 6 . 1 1 193 193 HIS N N 193 134.195 134.195 125.277 8.918 19425 5076 1 6 . 1 1 193 193 HIS C C 193 178.766 178.766 174.443 4.323 19425 5077 1 6 . 1 1 193 193 HIS CA C 193 56.349 56.349 56.069 0.280 19425 5078 1 6 . 1 1 193 193 HIS CB C 193 31.613 31.613 31.858 -0.245 19425 5079 1 6 . 1 1 193 193 HIS H H 193 10.227 10.227 8.907 1.320 19425 5080 1 6 . 1 1 194 194 LEU N N 194 128.500 128.500 126.941 1.559 19425 5081 1 6 . 1 1 194 194 LEU C C 194 170.268 170.268 175.253 -4.985 19425 5082 1 6 . 1 1 194 194 LEU CA C 194 54.139 54.139 54.085 0.054 19425 5083 1 6 . 1 1 194 194 LEU CB C 194 44.036 44.036 43.174 0.862 19425 5084 1 6 . 1 1 194 194 LEU H H 194 7.784 7.784 7.652 0.132 19425 5085 1 6 . 1 1 195 195 SER N N 195 122.195 122.195 122.943 -0.748 19425 5086 1 6 . 1 1 195 195 SER C C 195 174.740 174.740 173.382 1.358 19425 5087 1 6 . 1 1 195 195 SER CA C 195 56.814 56.814 57.339 -0.525 19425 5088 1 6 . 1 1 195 195 SER CB C 195 66.260 66.260 65.895 0.365 19425 5089 1 6 . 1 1 195 195 SER H H 195 9.042 9.042 8.827 0.215 19425 5090 1 6 . 1 1 196 196 TYR N N 196 124.809 124.809 125.676 -0.867 19425 5091 1 6 . 1 1 196 196 TYR C C 196 172.439 172.439 175.781 -3.342 19425 5092 1 6 . 1 1 196 196 TYR CA C 196 57.019 57.019 56.690 0.329 19425 5093 1 6 . 1 1 196 196 TYR CB C 196 39.817 39.817 38.508 1.309 19425 5094 1 6 . 1 1 196 196 TYR H H 196 8.657 8.657 8.841 -0.184 19425 5095 1 6 . 1 1 197 197 GLY N N 197 114.111 114.111 115.532 -1.421 19425 5096 1 6 . 1 1 197 197 GLY C C 197 176.113 176.113 174.139 1.974 19425 5097 1 6 . 1 1 197 197 GLY CA C 197 45.492 45.492 44.139 1.353 19425 5098 1 6 . 1 1 197 197 GLY H H 197 8.030 8.030 8.193 -0.163 19425 5099 1 6 . 1 1 200 200 SER N N 200 113.158 113.158 116.172 -3.014 19425 5100 1 6 . 1 1 200 200 SER C C 200 172.661 172.661 171.584 1.077 19425 5101 1 6 . 1 1 200 200 SER CA C 200 56.890 56.890 56.660 0.230 19425 5102 1 6 . 1 1 200 200 SER CB C 200 65.522 65.522 64.684 0.838 19425 5103 1 6 . 1 1 200 200 SER H H 200 6.893 6.893 7.156 -0.263 19425 5104 1 6 . 1 1 201 201 TRP N N 201 122.521 122.521 119.879 2.642 19425 5105 1 6 . 1 1 201 201 TRP C C 201 171.813 171.813 175.799 -3.986 19425 5106 1 6 . 1 1 201 201 TRP CA C 201 56.990 56.990 56.124 0.866 19425 5107 1 6 . 1 1 201 201 TRP CB C 201 31.501 31.501 31.752 -0.251 19425 5108 1 6 . 1 1 201 201 TRP H H 201 8.243 8.243 8.254 -0.011 19425 5109 1 6 . 1 1 202 202 HIS N N 202 121.171 121.171 118.596 2.575 19425 5110 1 6 . 1 1 202 202 HIS C C 202 173.805 173.805 173.325 0.480 19425 5111 1 6 . 1 1 202 202 HIS CA C 202 55.169 55.169 54.947 0.222 19425 5112 1 6 . 1 1 202 202 HIS CB C 202 32.254 32.254 34.537 -2.283 19425 5113 1 6 . 1 1 202 202 HIS H H 202 9.383 9.383 9.431 -0.048 19425 5114 1 6 . 1 1 203 203 VAL N N 203 119.943 119.943 120.694 -0.751 19425 5115 1 6 . 1 1 203 203 VAL C C 203 172.439 172.439 174.081 -1.642 19425 5116 1 6 . 1 1 203 203 VAL CA C 203 58.683 58.683 59.925 -1.242 19425 5117 1 6 . 1 1 203 203 VAL CB C 203 33.957 33.957 34.138 -0.181 19425 5118 1 6 . 1 1 203 203 VAL H H 203 8.649 8.649 8.860 -0.211 19425 5119 1 6 . 1 1 204 204 ASP N N 204 127.907 127.907 127.284 0.623 19425 5120 1 6 . 1 1 204 204 ASP C C 204 173.162 173.162 173.691 -0.529 19425 5121 1 6 . 1 1 204 204 ASP CA C 204 53.545 53.545 52.242 1.303 19425 5122 1 6 . 1 1 204 204 ASP CB C 204 42.169 42.169 44.126 -1.957 19425 5123 1 6 . 1 1 204 204 ASP H H 204 9.822 9.822 8.923 0.899 19425 5124 1 6 . 1 1 205 205 ALA N N 205 121.047 121.047 120.708 0.339 19425 5125 1 6 . 1 1 205 205 ALA C C 205 172.754 172.754 176.330 -3.576 19425 5126 1 6 . 1 1 205 205 ALA CA C 205 50.147 50.147 50.634 -0.487 19425 5127 1 6 . 1 1 205 205 ALA CB C 205 19.642 19.642 19.366 0.276 19425 5128 1 6 . 1 1 205 205 ALA H H 205 9.176 9.176 8.312 0.864 19425 5129 1 6 . 1 1 206 206 ALA N N 206 127.318 127.318 125.508 1.810 19425 5130 1 6 . 1 1 206 206 ALA C C 206 176.465 176.465 176.178 0.287 19425 5131 1 6 . 1 1 206 206 ALA CA C 206 50.609 50.609 50.768 -0.159 19425 5132 1 6 . 1 1 206 206 ALA CB C 206 23.819 23.819 21.442 2.377 19425 5133 1 6 . 1 1 206 206 ALA H H 206 9.088 9.088 8.020 1.068 19425 5134 1 6 . 1 1 207 207 PHE N N 207 117.878 117.878 116.634 1.244 19425 5135 1 6 . 1 1 207 207 PHE C C 207 176.576 176.576 175.772 0.804 19425 5136 1 6 . 1 1 207 207 PHE CA C 207 59.714 59.714 58.871 0.843 19425 5137 1 6 . 1 1 207 207 PHE CB C 207 38.239 38.239 38.855 -0.616 19425 5138 1 6 . 1 1 207 207 PHE H H 207 8.953 8.953 8.490 0.463 19425 5139 1 6 . 1 1 208 208 GLN N N 208 117.531 117.531 117.239 0.292 19425 5140 1 6 . 1 1 208 208 GLN C C 208 175.166 175.166 175.360 -0.194 19425 5141 1 6 . 1 1 208 208 GLN CA C 208 55.096 55.096 54.037 1.059 19425 5142 1 6 . 1 1 208 208 GLN CB C 208 30.437 30.437 30.579 -0.142 19425 5143 1 6 . 1 1 208 208 GLN H H 208 6.613 6.613 7.731 -1.118 19425 5144 1 6 . 1 1 209 209 GLN N N 209 117.318 117.318 122.307 -4.989 19425 5145 1 6 . 1 1 209 209 GLN C C 209 173.162 173.162 175.815 -2.653 19425 5146 1 6 . 1 1 209 209 GLN CA C 209 56.217 56.217 56.706 -0.489 19425 5147 1 6 . 1 1 209 209 GLN CB C 209 29.912 29.912 29.414 0.498 19425 5148 1 6 . 1 1 209 209 GLN H H 209 8.108 8.108 8.362 -0.254 19425 5149 1 6 . 1 1 210 210 THR N N 210 116.616 116.616 113.756 2.860 19425 5150 1 6 . 1 1 210 210 THR C C 210 176.150 176.150 172.667 3.483 19425 5151 1 6 . 1 1 210 210 THR CA C 210 62.848 62.848 61.490 1.358 19425 5152 1 6 . 1 1 210 210 THR CB C 210 73.244 73.244 70.210 3.034 19425 5153 1 6 . 1 1 210 210 THR H H 210 6.641 6.641 8.210 -1.569 19425 5154 1 6 . 1 1 211 211 LEU N N 211 126.776 126.776 127.280 -0.504 19425 5155 1 6 . 1 1 211 211 LEU C C 211 171.418 171.418 175.726 -4.308 19425 5156 1 6 . 1 1 211 211 LEU CA C 211 55.012 55.012 54.740 0.272 19425 5157 1 6 . 1 1 211 211 LEU CB C 211 41.627 41.627 42.360 -0.733 19425 5158 1 6 . 1 1 211 211 LEU H H 211 8.418 8.418 8.409 0.009 19425 5159 1 6 . 1 1 212 212 TRP N N 212 124.678 124.678 124.246 0.432 19425 5160 1 6 . 1 1 212 212 TRP C C 212 175.742 175.742 175.622 0.120 19425 5161 1 6 . 1 1 212 212 TRP CA C 212 56.052 56.052 55.687 0.365 19425 5162 1 6 . 1 1 212 212 TRP CB C 212 31.169 31.169 32.953 -1.784 19425 5163 1 6 . 1 1 212 212 TRP H H 212 9.462 9.462 9.197 0.265 19425 5164 1 6 . 1 1 213 213 SER N N 213 118.197 118.197 116.335 1.862 19425 5165 1 6 . 1 1 213 213 SER C C 213 175.575 175.575 174.207 1.368 19425 5166 1 6 . 1 1 213 213 SER CA C 213 57.141 57.141 56.207 0.934 19425 5167 1 6 . 1 1 213 213 SER CB C 213 64.800 64.800 63.390 1.410 19425 5168 1 6 . 1 1 213 213 SER H H 213 9.642 9.642 9.388 0.254 19425 5169 1 6 . 1 1 214 214 VAL N N 214 125.581 125.581 130.519 -4.938 19425 5170 1 6 . 1 1 214 214 VAL C C 214 174.183 174.183 174.711 -0.528 19425 5171 1 6 . 1 1 214 214 VAL CA C 214 61.398 61.398 62.004 -0.606 19425 5172 1 6 . 1 1 214 214 VAL CB C 214 32.502 32.502 31.643 0.859 19425 5173 1 6 . 1 1 214 214 VAL H H 214 8.433 8.433 8.616 -0.183 19425 5174 1 6 . 1 1 215 215 ALA N N 215 130.074 130.074 131.343 -1.269 19425 5175 1 6 . 1 1 215 215 ALA C C 215 174.647 174.647 174.329 0.318 19425 5176 1 6 . 1 1 215 215 ALA CA C 215 49.058 49.058 48.462 0.597 19425 5177 1 6 . 1 1 215 215 ALA CB C 215 20.299 20.299 20.277 0.022 19425 5178 1 6 . 1 1 215 215 ALA H H 215 8.572 8.572 8.372 0.200 19425 5179 1 7 . 1 1 13 13 PHE N N 13 122.001 122.001 120.197 1.804 19425 5180 1 7 . 1 1 13 13 PHE C C 13 174.608 174.608 175.946 -1.338 19425 5181 1 7 . 1 1 13 13 PHE CA C 13 56.445 56.445 55.746 0.699 19425 5182 1 7 . 1 1 13 13 PHE CB C 13 41.650 41.650 41.907 -0.257 19425 5183 1 7 . 1 1 13 13 PHE H H 13 8.209 8.209 8.298 -0.089 19425 5184 1 7 . 1 1 14 14 LEU N N 14 122.475 122.475 123.235 -0.760 19425 5185 1 7 . 1 1 14 14 LEU C C 14 175.630 175.630 175.978 -0.348 19425 5186 1 7 . 1 1 14 14 LEU CA C 14 55.024 55.024 54.794 0.230 19425 5187 1 7 . 1 1 14 14 LEU CB C 14 43.987 43.987 41.864 2.123 19425 5188 1 7 . 1 1 14 14 LEU H H 14 8.264 8.264 8.944 -0.680 19425 5189 1 7 . 1 1 15 15 ARG N N 15 121.510 121.510 123.015 -1.505 19425 5190 1 7 . 1 1 15 15 ARG C C 15 175.630 175.630 177.304 -1.674 19425 5191 1 7 . 1 1 15 15 ARG CA C 15 54.007 54.007 53.004 1.003 19425 5192 1 7 . 1 1 15 15 ARG CB C 15 34.536 34.536 32.670 1.866 19425 5193 1 7 . 1 1 15 15 ARG H H 15 8.653 8.653 8.217 0.436 19425 5194 1 7 . 1 1 16 16 THR N N 16 110.840 110.840 113.275 -2.435 19425 5195 1 7 . 1 1 16 16 THR C C 16 175.946 175.946 175.177 0.769 19425 5196 1 7 . 1 1 16 16 THR CA C 16 62.950 62.950 62.814 0.136 19425 5197 1 7 . 1 1 16 16 THR CB C 16 69.276 69.276 69.567 -0.291 19425 5198 1 7 . 1 1 16 16 THR H H 16 8.815 8.815 8.675 0.140 19425 5199 1 7 . 1 1 17 17 ASP N N 17 114.036 114.036 117.318 -3.282 19425 5200 1 7 . 1 1 17 17 ASP C C 17 175.686 175.686 175.163 0.523 19425 5201 1 7 . 1 1 17 17 ASP CA C 17 57.735 57.735 56.822 0.913 19425 5202 1 7 . 1 1 17 17 ASP CB C 17 39.928 39.928 40.132 -0.204 19425 5203 1 7 . 1 1 17 17 ASP H H 17 9.241 9.241 8.818 0.423 19425 5204 1 7 . 1 1 18 18 ASP N N 18 122.062 122.062 121.391 0.671 19425 5205 1 7 . 1 1 18 18 ASP C C 18 175.946 175.946 175.597 0.349 19425 5206 1 7 . 1 1 18 18 ASP CA C 18 56.214 56.214 54.864 1.349 19425 5207 1 7 . 1 1 18 18 ASP CB C 18 40.985 40.985 41.586 -0.601 19425 5208 1 7 . 1 1 18 18 ASP H H 18 8.035 8.035 7.621 0.414 19425 5209 1 7 . 1 1 19 19 GLU N N 19 122.006 122.006 123.393 -1.387 19425 5210 1 7 . 1 1 19 19 GLU C C 19 175.055 175.055 176.394 -1.339 19425 5211 1 7 . 1 1 19 19 GLU CA C 19 55.262 55.262 56.174 -0.912 19425 5212 1 7 . 1 1 19 19 GLU CB C 19 30.712 30.712 30.520 0.192 19425 5213 1 7 . 1 1 19 19 GLU H H 19 8.274 8.274 8.621 -0.347 19425 5214 1 7 . 1 1 20 20 VAL N N 20 118.214 118.214 120.231 -2.017 19425 5215 1 7 . 1 1 20 20 VAL C C 20 176.855 176.855 173.738 3.117 19425 5216 1 7 . 1 1 20 20 VAL CA C 20 59.054 59.054 58.896 0.158 19425 5217 1 7 . 1 1 20 20 VAL CB C 20 36.780 36.780 36.325 0.455 19425 5218 1 7 . 1 1 20 20 VAL H H 20 9.779 9.779 9.196 0.583 19425 5219 1 7 . 1 1 21 21 VAL N N 21 115.443 115.443 114.416 1.027 19425 5220 1 7 . 1 1 21 21 VAL C C 21 173.830 173.830 174.279 -0.449 19425 5221 1 7 . 1 1 21 21 VAL CA C 21 60.308 60.308 59.275 1.033 19425 5222 1 7 . 1 1 21 21 VAL CB C 21 34.625 34.625 35.111 -0.486 19425 5223 1 7 . 1 1 21 21 VAL H H 21 8.167 8.167 8.470 -0.303 19425 5224 1 7 . 1 1 22 22 LEU N N 22 128.072 128.072 127.254 0.818 19425 5225 1 7 . 1 1 22 22 LEU C C 22 174.858 174.858 175.982 -1.124 19425 5226 1 7 . 1 1 22 22 LEU CA C 22 55.656 55.656 54.271 1.385 19425 5227 1 7 . 1 1 22 22 LEU CB C 22 42.545 42.545 42.292 0.253 19425 5228 1 7 . 1 1 22 22 LEU H H 22 10.103 10.103 8.923 1.180 19425 5229 1 7 . 1 1 23 23 GLN N N 23 120.609 120.609 123.105 -2.496 19425 5230 1 7 . 1 1 23 23 GLN C C 23 175.500 175.500 175.231 0.269 19425 5231 1 7 . 1 1 23 23 GLN CA C 23 53.710 53.710 54.119 -0.409 19425 5232 1 7 . 1 1 23 23 GLN CB C 23 33.697 33.697 33.148 0.549 19425 5233 1 7 . 1 1 23 23 GLN H H 23 9.119 9.119 8.689 0.430 19425 5234 1 7 . 1 1 24 24 CYS N N 24 118.659 118.659 118.811 -0.152 19425 5235 1 7 . 1 1 24 24 CYS C C 24 174.443 174.443 174.042 0.401 19425 5236 1 7 . 1 1 24 24 CYS CA C 24 55.261 55.261 55.494 -0.233 19425 5237 1 7 . 1 1 24 24 CYS CB C 24 30.302 30.302 30.758 -0.456 19425 5238 1 7 . 1 1 24 24 CYS H H 24 8.993 8.993 9.141 -0.148 19425 5239 1 7 . 1 1 25 25 THR N N 25 116.266 116.266 119.773 -3.507 19425 5240 1 7 . 1 1 25 25 THR C C 25 172.457 172.457 173.674 -1.217 19425 5241 1 7 . 1 1 25 25 THR CA C 25 61.858 61.858 62.793 -0.935 19425 5242 1 7 . 1 1 25 25 THR CB C 25 70.271 70.271 69.206 1.065 19425 5243 1 7 . 1 1 25 25 THR H H 25 8.480 8.480 8.594 -0.114 19425 5244 1 7 . 1 1 26 26 ALA N N 26 129.739 129.739 131.572 -1.833 19425 5245 1 7 . 1 1 26 26 ALA C C 26 172.717 172.717 175.165 -2.448 19425 5246 1 7 . 1 1 26 26 ALA CA C 26 50.642 50.642 50.137 0.505 19425 5247 1 7 . 1 1 26 26 ALA CB C 26 21.315 21.315 19.693 1.622 19425 5248 1 7 . 1 1 26 26 ALA H H 26 8.590 8.590 8.632 -0.042 19425 5249 1 7 . 1 1 27 27 THR N N 27 116.574 116.574 118.659 -2.085 19425 5250 1 7 . 1 1 27 27 THR C C 27 173.181 173.181 173.921 -0.740 19425 5251 1 7 . 1 1 27 27 THR CA C 27 61.919 61.919 61.740 0.179 19425 5252 1 7 . 1 1 27 27 THR CB C 27 69.696 69.696 70.853 -1.157 19425 5253 1 7 . 1 1 27 27 THR H H 27 8.110 8.110 8.229 -0.119 19425 5254 1 7 . 1 1 28 28 ILE N N 28 126.342 126.342 125.283 1.059 19425 5255 1 7 . 1 1 28 28 ILE C C 28 173.793 173.793 174.445 -0.652 19425 5256 1 7 . 1 1 28 28 ILE CA C 28 60.407 60.407 61.508 -1.101 19425 5257 1 7 . 1 1 28 28 ILE CB C 28 39.536 39.536 40.136 -0.600 19425 5258 1 7 . 1 1 28 28 ILE H H 28 8.483 8.483 8.906 -0.423 19425 5259 1 7 . 1 1 29 29 HIS N N 29 126.364 126.364 124.053 2.311 19425 5260 1 7 . 1 1 29 29 HIS C C 29 175.259 175.259 174.264 0.995 19425 5261 1 7 . 1 1 29 29 HIS CA C 29 57.174 57.174 57.033 0.141 19425 5262 1 7 . 1 1 29 29 HIS CB C 29 28.029 28.029 27.703 0.326 19425 5263 1 7 . 1 1 29 29 HIS H H 29 9.110 9.110 8.555 0.555 19425 5264 1 7 . 1 1 31 31 GLU N N 31 120.962 120.962 118.845 2.117 19425 5265 1 7 . 1 1 31 31 GLU C C 31 175.575 175.575 174.331 1.244 19425 5266 1 7 . 1 1 31 31 GLU CA C 31 55.394 55.394 55.123 0.271 19425 5267 1 7 . 1 1 31 31 GLU CB C 31 31.576 31.576 33.021 -1.445 19425 5268 1 7 . 1 1 31 31 GLU H H 31 8.047 8.047 7.699 0.348 19425 5269 1 7 . 1 1 32 32 GLN N N 32 123.171 123.171 124.054 -0.883 19425 5270 1 7 . 1 1 32 32 GLN C C 32 175.185 175.185 174.441 0.744 19425 5271 1 7 . 1 1 32 32 GLN CA C 32 54.496 54.496 54.412 0.084 19425 5272 1 7 . 1 1 32 32 GLN CB C 32 30.054 30.054 31.710 -1.656 19425 5273 1 7 . 1 1 32 32 GLN H H 32 8.646 8.646 8.655 -0.009 19425 5274 1 7 . 1 1 33 33 GLN N N 33 123.530 123.530 120.209 3.321 19425 5275 1 7 . 1 1 33 33 GLN C C 33 175.667 175.667 173.314 2.353 19425 5276 1 7 . 1 1 33 33 GLN CA C 33 54.616 54.616 54.725 -0.109 19425 5277 1 7 . 1 1 33 33 GLN CB C 33 31.748 31.748 32.301 -0.553 19425 5278 1 7 . 1 1 33 33 GLN H H 33 8.839 8.839 8.795 0.044 19425 5279 1 7 . 1 1 34 34 LYS N N 34 124.601 124.601 120.576 4.025 19425 5280 1 7 . 1 1 34 34 LYS C C 34 173.812 173.812 174.961 -1.149 19425 5281 1 7 . 1 1 34 34 LYS CA C 34 55.755 55.755 55.116 0.639 19425 5282 1 7 . 1 1 34 34 LYS CB C 34 32.712 32.712 35.563 -2.851 19425 5283 1 7 . 1 1 34 34 LYS H H 34 8.589 8.589 8.523 0.066 19425 5284 1 7 . 1 1 35 35 LEU N N 35 126.071 126.071 122.058 4.013 19425 5285 1 7 . 1 1 35 35 LEU C C 35 175.445 175.445 175.846 -0.401 19425 5286 1 7 . 1 1 35 35 LEU CA C 35 53.347 53.347 52.719 0.628 19425 5287 1 7 . 1 1 35 35 LEU CB C 35 44.943 44.943 46.169 -1.226 19425 5288 1 7 . 1 1 35 35 LEU H H 35 8.794 8.794 8.363 0.431 19425 5289 1 7 . 1 1 36 36 CYS N N 36 118.373 118.373 118.602 -0.229 19425 5290 1 7 . 1 1 36 36 CYS C C 36 176.057 176.057 175.313 0.744 19425 5291 1 7 . 1 1 36 36 CYS CA C 36 57.174 57.174 55.359 1.815 19425 5292 1 7 . 1 1 36 36 CYS CB C 36 30.306 30.306 29.019 1.287 19425 5293 1 7 . 1 1 36 36 CYS H H 36 9.042 9.042 8.805 0.237 19425 5294 1 7 . 1 1 37 37 LEU N N 37 129.256 129.256 125.825 3.431 19425 5295 1 7 . 1 1 37 37 LEU C C 37 174.090 174.090 175.289 -1.199 19425 5296 1 7 . 1 1 37 37 LEU CA C 37 56.349 56.349 55.553 0.796 19425 5297 1 7 . 1 1 37 37 LEU CB C 37 42.689 42.689 42.025 0.664 19425 5298 1 7 . 1 1 37 37 LEU H H 37 8.811 8.811 8.793 0.018 19425 5299 1 7 . 1 1 38 38 ALA N N 38 127.229 127.229 128.242 -1.013 19425 5300 1 7 . 1 1 38 38 ALA C C 38 174.517 174.517 175.147 -0.630 19425 5301 1 7 . 1 1 38 38 ALA CA C 38 50.609 50.609 49.414 1.195 19425 5302 1 7 . 1 1 38 38 ALA CB C 38 24.141 24.141 22.345 1.796 19425 5303 1 7 . 1 1 38 38 ALA H H 38 8.879 8.879 8.725 0.154 19425 5304 1 7 . 1 1 39 39 ALA N N 39 117.076 117.076 119.418 -2.342 19425 5305 1 7 . 1 1 39 39 ALA C C 39 174.665 174.665 174.605 0.060 19425 5306 1 7 . 1 1 39 39 ALA CA C 39 51.500 51.500 51.737 -0.237 19425 5307 1 7 . 1 1 39 39 ALA CB C 39 20.996 20.996 21.143 -0.147 19425 5308 1 7 . 1 1 39 39 ALA H H 39 6.837 6.837 7.671 -0.834 19425 5309 1 7 . 1 1 40 40 GLU N N 40 119.966 119.966 118.213 1.753 19425 5310 1 7 . 1 1 40 40 GLU C C 40 176.205 176.205 175.895 0.310 19425 5311 1 7 . 1 1 40 40 GLU CA C 40 55.950 55.950 54.705 1.245 19425 5312 1 7 . 1 1 40 40 GLU CB C 40 31.836 31.836 32.229 -0.393 19425 5313 1 7 . 1 1 40 40 GLU H H 40 8.413 8.413 8.333 0.080 19425 5314 1 7 . 1 1 41 41 GLY N N 41 108.646 108.646 107.518 1.128 19425 5315 1 7 . 1 1 41 41 GLY C C 41 176.892 176.892 173.204 3.688 19425 5316 1 7 . 1 1 41 41 GLY CA C 41 45.628 45.628 45.605 0.023 19425 5317 1 7 . 1 1 41 41 GLY H H 41 8.463 8.463 8.597 -0.134 19425 5318 1 7 . 1 1 43 43 GLY N N 43 109.557 109.557 111.640 -2.083 19425 5319 1 7 . 1 1 43 43 GLY C C 43 176.465 176.465 175.147 1.318 19425 5320 1 7 . 1 1 43 43 GLY CA C 43 45.397 45.397 45.943 -0.546 19425 5321 1 7 . 1 1 43 43 GLY H H 43 8.510 8.510 8.649 -0.139 19425 5322 1 7 . 1 1 44 44 ASN N N 44 116.850 116.850 123.698 -6.848 19425 5323 1 7 . 1 1 44 44 ASN C C 44 173.830 173.830 175.084 -1.254 19425 5324 1 7 . 1 1 44 44 ASN CA C 44 54.184 54.184 51.980 2.204 19425 5325 1 7 . 1 1 44 44 ASN CB C 44 38.252 38.252 38.652 -0.400 19425 5326 1 7 . 1 1 44 44 ASN H H 44 8.028 8.028 8.513 -0.485 19425 5327 1 7 . 1 1 45 45 ARG N N 45 118.226 118.226 115.595 2.631 19425 5328 1 7 . 1 1 45 45 ARG C C 45 174.072 174.072 174.316 -0.244 19425 5329 1 7 . 1 1 45 45 ARG CA C 45 56.077 56.077 57.258 -1.181 19425 5330 1 7 . 1 1 45 45 ARG CB C 45 31.231 31.231 27.065 4.166 19425 5331 1 7 . 1 1 45 45 ARG H H 45 7.759 7.759 7.415 0.344 19425 5332 1 7 . 1 1 46 46 LEU N N 46 124.643 124.643 119.055 5.588 19425 5333 1 7 . 1 1 46 46 LEU C C 46 176.447 176.447 177.056 -0.609 19425 5334 1 7 . 1 1 46 46 LEU CA C 46 54.667 54.667 53.779 0.888 19425 5335 1 7 . 1 1 46 46 LEU CB C 46 42.605 42.605 43.087 -0.483 19425 5336 1 7 . 1 1 46 46 LEU H H 46 8.695 8.695 7.538 1.157 19425 5337 1 7 . 1 1 47 47 CYS N N 47 119.241 119.241 121.623 -2.382 19425 5338 1 7 . 1 1 47 47 CYS C C 47 176.651 176.651 174.848 1.803 19425 5339 1 7 . 1 1 47 47 CYS CA C 47 55.885 55.885 60.728 -4.843 19425 5340 1 7 . 1 1 47 47 CYS CB C 47 31.112 31.112 27.430 3.682 19425 5341 1 7 . 1 1 47 47 CYS H H 47 9.007 9.007 8.496 0.511 19425 5342 1 7 . 1 1 48 48 PHE N N 48 114.081 114.081 118.341 -4.260 19425 5343 1 7 . 1 1 48 48 PHE C C 48 170.342 170.342 173.010 -2.668 19425 5344 1 7 . 1 1 48 48 PHE CA C 48 57.405 57.405 55.816 1.589 19425 5345 1 7 . 1 1 48 48 PHE CB C 48 43.263 43.263 40.337 2.926 19425 5346 1 7 . 1 1 48 48 PHE H H 48 8.647 8.647 8.456 0.191 19425 5347 1 7 . 1 1 49 49 LEU N N 49 122.287 122.287 119.145 3.142 19425 5348 1 7 . 1 1 49 49 LEU C C 49 176.236 176.236 176.277 -0.041 19425 5349 1 7 . 1 1 49 49 LEU CA C 49 53.285 53.285 53.723 -0.438 19425 5350 1 7 . 1 1 49 49 LEU CB C 49 42.907 42.907 45.528 -2.621 19425 5351 1 7 . 1 1 49 49 LEU H H 49 9.108 9.108 8.829 0.279 19425 5352 1 7 . 1 1 50 50 GLU N N 50 123.206 123.206 122.944 0.262 19425 5353 1 7 . 1 1 50 50 GLU C C 50 177.671 177.671 175.457 2.214 19425 5354 1 7 . 1 1 50 50 GLU CA C 50 57.084 57.084 54.841 2.243 19425 5355 1 7 . 1 1 50 50 GLU CB C 50 30.123 30.123 32.769 -2.646 19425 5356 1 7 . 1 1 50 50 GLU H H 50 8.834 8.834 8.494 0.340 19425 5357 1 7 . 1 1 51 51 SER N N 51 118.500 118.500 120.234 -1.734 19425 5358 1 7 . 1 1 51 51 SER C C 51 176.706 176.706 175.000 1.706 19425 5359 1 7 . 1 1 51 51 SER CA C 51 58.560 58.560 58.851 -0.291 19425 5360 1 7 . 1 1 51 51 SER CB C 51 63.979 63.979 64.184 -0.205 19425 5361 1 7 . 1 1 51 51 SER H H 51 8.461 8.461 8.846 -0.385 19425 5362 1 7 . 1 1 52 52 THR N N 52 116.205 116.205 115.704 0.501 19425 5363 1 7 . 1 1 52 52 THR C C 52 174.808 174.808 175.580 -0.772 19425 5364 1 7 . 1 1 52 52 THR CA C 52 61.891 61.891 59.862 2.029 19425 5365 1 7 . 1 1 52 52 THR CB C 52 70.076 70.076 71.005 -0.929 19425 5366 1 7 . 1 1 52 52 THR H H 52 8.199 8.199 8.442 -0.243 19425 5367 1 7 . 1 1 65 65 CYS N N 65 117.553 117.553 119.650 -2.097 19425 5368 1 7 . 1 1 65 65 CYS C C 65 176.948 176.948 174.346 2.602 19425 5369 1 7 . 1 1 65 65 CYS CA C 65 57.900 57.900 57.425 0.476 19425 5370 1 7 . 1 1 65 65 CYS CB C 65 30.290 30.290 26.498 3.792 19425 5371 1 7 . 1 1 65 65 CYS H H 65 7.539 7.539 7.561 -0.022 19425 5372 1 7 . 1 1 66 66 THR N N 66 113.614 113.614 118.061 -4.447 19425 5373 1 7 . 1 1 66 66 THR C C 66 180.325 180.325 173.390 6.935 19425 5374 1 7 . 1 1 66 66 THR CA C 66 63.399 63.399 63.127 0.272 19425 5375 1 7 . 1 1 66 66 THR CB C 66 69.281 69.281 69.514 -0.233 19425 5376 1 7 . 1 1 66 66 THR H H 66 6.851 6.851 7.334 -0.483 19425 5377 1 7 . 1 1 67 67 PHE N N 67 126.248 126.248 125.727 0.521 19425 5378 1 7 . 1 1 67 67 PHE C C 67 174.424 174.424 174.166 0.258 19425 5379 1 7 . 1 1 67 67 PHE CA C 67 56.184 56.184 56.509 -0.325 19425 5380 1 7 . 1 1 67 67 PHE CB C 67 43.291 43.291 44.365 -1.074 19425 5381 1 7 . 1 1 67 67 PHE H H 67 9.603 9.603 9.375 0.228 19425 5382 1 7 . 1 1 68 68 VAL N N 68 121.310 121.310 119.042 2.268 19425 5383 1 7 . 1 1 68 68 VAL C C 68 173.719 173.719 175.610 -1.891 19425 5384 1 7 . 1 1 68 68 VAL CA C 68 60.935 60.935 60.631 0.304 19425 5385 1 7 . 1 1 68 68 VAL CB C 68 34.522 34.522 34.398 0.124 19425 5386 1 7 . 1 1 68 68 VAL H H 68 9.968 9.968 8.627 1.341 19425 5387 1 7 . 1 1 69 69 LEU N N 69 127.011 127.011 128.651 -1.640 19425 5388 1 7 . 1 1 69 69 LEU C C 69 177.152 177.152 177.944 -0.792 19425 5389 1 7 . 1 1 69 69 LEU CA C 69 53.083 53.083 54.541 -1.458 19425 5390 1 7 . 1 1 69 69 LEU CB C 69 39.652 39.652 39.303 0.349 19425 5391 1 7 . 1 1 69 69 LEU H H 69 8.135 8.135 8.765 -0.630 19425 5392 1 7 . 1 1 70 70 GLU N N 70 129.683 129.683 121.662 8.021 19425 5393 1 7 . 1 1 70 70 GLU C C 70 174.869 174.869 176.959 -2.090 19425 5394 1 7 . 1 1 70 70 GLU CA C 70 59.747 59.747 59.236 0.511 19425 5395 1 7 . 1 1 70 70 GLU CB C 70 31.291 31.291 29.892 1.399 19425 5396 1 7 . 1 1 70 70 GLU H H 70 8.654 8.654 8.334 0.320 19425 5397 1 7 . 1 1 71 71 GLN N N 71 110.287 110.287 117.477 -7.190 19425 5398 1 7 . 1 1 71 71 GLN C C 71 176.094 176.094 174.902 1.192 19425 5399 1 7 . 1 1 71 71 GLN CA C 71 54.030 54.030 54.553 -0.523 19425 5400 1 7 . 1 1 71 71 GLN CB C 71 33.112 33.112 32.747 0.365 19425 5401 1 7 . 1 1 71 71 GLN H H 71 7.318 7.318 7.632 -0.314 19425 5402 1 7 . 1 1 72 72 SER N N 72 116.205 116.205 116.550 -0.345 19425 5403 1 7 . 1 1 72 72 SER C C 72 174.035 174.035 173.379 0.656 19425 5404 1 7 . 1 1 72 72 SER CA C 72 58.132 58.132 58.758 -0.626 19425 5405 1 7 . 1 1 72 72 SER CB C 72 64.295 64.295 63.696 0.599 19425 5406 1 7 . 1 1 72 72 SER H H 72 8.380 8.380 8.860 -0.480 19425 5407 1 7 . 1 1 73 73 LEU N N 73 127.858 127.858 123.845 4.013 19425 5408 1 7 . 1 1 73 73 LEU C C 73 173.701 173.701 175.675 -1.974 19425 5409 1 7 . 1 1 73 73 LEU CA C 73 53.347 53.347 53.318 0.029 19425 5410 1 7 . 1 1 73 73 LEU CB C 73 45.926 45.926 45.028 0.898 19425 5411 1 7 . 1 1 73 73 LEU H H 73 9.532 9.532 8.951 0.581 19425 5412 1 7 . 1 1 74 74 SER N N 74 115.724 115.724 114.738 0.986 19425 5413 1 7 . 1 1 74 74 SER C C 74 177.541 177.541 176.051 1.490 19425 5414 1 7 . 1 1 74 74 SER CA C 74 57.905 57.905 57.970 -0.065 19425 5415 1 7 . 1 1 74 74 SER CB C 74 63.901 63.901 63.578 0.324 19425 5416 1 7 . 1 1 74 74 SER H H 74 8.240 8.240 8.205 0.035 19425 5417 1 7 . 1 1 75 75 VAL N N 75 122.994 122.994 127.305 -4.311 19425 5418 1 7 . 1 1 75 75 VAL C C 75 174.610 174.610 177.377 -2.767 19425 5419 1 7 . 1 1 75 75 VAL CA C 75 67.104 67.104 66.774 0.330 19425 5420 1 7 . 1 1 75 75 VAL CB C 75 30.953 30.953 31.459 -0.506 19425 5421 1 7 . 1 1 75 75 VAL H H 75 9.056 9.056 8.871 0.185 19425 5422 1 7 . 1 1 76 76 ARG N N 76 119.193 119.193 120.590 -1.397 19425 5423 1 7 . 1 1 76 76 ARG C C 76 178.228 178.228 178.082 0.146 19425 5424 1 7 . 1 1 76 76 ARG CA C 76 59.087 59.087 59.606 -0.519 19425 5425 1 7 . 1 1 76 76 ARG CB C 76 29.280 29.280 29.467 -0.187 19425 5426 1 7 . 1 1 76 76 ARG H H 76 8.137 8.137 7.629 0.508 19425 5427 1 7 . 1 1 77 77 ALA N N 77 122.977 122.977 120.422 2.555 19425 5428 1 7 . 1 1 77 77 ALA C C 77 178.506 178.506 179.834 -1.328 19425 5429 1 7 . 1 1 77 77 ALA CA C 77 54.926 54.926 54.784 0.142 19425 5430 1 7 . 1 1 77 77 ALA CB C 77 18.231 18.231 18.134 0.097 19425 5431 1 7 . 1 1 77 77 ALA H H 77 7.699 7.699 8.100 -0.401 19425 5432 1 7 . 1 1 78 78 LEU N N 78 121.115 121.115 120.075 1.040 19425 5433 1 7 . 1 1 78 78 LEU C C 78 180.640 180.640 178.370 2.270 19425 5434 1 7 . 1 1 78 78 LEU CA C 78 57.985 57.985 57.366 0.619 19425 5435 1 7 . 1 1 78 78 LEU CB C 78 40.522 40.522 41.285 -0.763 19425 5436 1 7 . 1 1 78 78 LEU H H 78 8.303 8.303 8.215 0.088 19425 5437 1 7 . 1 1 79 79 GLN N N 79 116.873 116.873 117.340 -0.467 19425 5438 1 7 . 1 1 79 79 GLN C C 79 177.875 177.875 178.377 -0.502 19425 5439 1 7 . 1 1 79 79 GLN CA C 79 59.069 59.069 59.108 -0.040 19425 5440 1 7 . 1 1 79 79 GLN CB C 79 27.254 27.254 28.361 -1.107 19425 5441 1 7 . 1 1 79 79 GLN H H 79 8.390 8.390 8.253 0.137 19425 5442 1 7 . 1 1 80 80 GLU N N 80 120.455 120.455 120.903 -0.448 19425 5443 1 7 . 1 1 80 80 GLU C C 80 179.749 179.749 178.822 0.927 19425 5444 1 7 . 1 1 80 80 GLU CA C 80 59.413 59.413 59.265 0.148 19425 5445 1 7 . 1 1 80 80 GLU CB C 80 29.142 29.142 29.450 -0.308 19425 5446 1 7 . 1 1 80 80 GLU H H 80 7.942 7.942 8.012 -0.070 19425 5447 1 7 . 1 1 81 81 MET N N 81 120.541 120.541 118.530 2.011 19425 5448 1 7 . 1 1 81 81 MET C C 81 178.599 178.599 178.941 -0.342 19425 5449 1 7 . 1 1 81 81 MET CA C 81 59.665 59.665 59.303 0.362 19425 5450 1 7 . 1 1 81 81 MET CB C 81 32.534 32.534 32.860 -0.326 19425 5451 1 7 . 1 1 81 81 MET H H 81 7.870 7.870 7.937 -0.067 19425 5452 1 7 . 1 1 82 82 LEU N N 82 119.662 119.662 118.728 0.934 19425 5453 1 7 . 1 1 82 82 LEU C C 82 179.638 179.638 179.122 0.516 19425 5454 1 7 . 1 1 82 82 LEU CA C 82 57.669 57.669 57.168 0.501 19425 5455 1 7 . 1 1 82 82 LEU CB C 82 40.783 40.783 41.613 -0.830 19425 5456 1 7 . 1 1 82 82 LEU H H 82 8.488 8.488 7.924 0.564 19425 5457 1 7 . 1 1 83 83 ALA N N 83 120.827 120.827 121.250 -0.423 19425 5458 1 7 . 1 1 83 83 ALA C C 83 179.323 179.323 179.212 0.111 19425 5459 1 7 . 1 1 83 83 ALA CA C 83 54.073 54.073 54.793 -0.720 19425 5460 1 7 . 1 1 83 83 ALA CB C 83 18.326 18.326 18.366 -0.041 19425 5461 1 7 . 1 1 83 83 ALA H H 83 7.704 7.704 8.098 -0.394 19425 5462 1 7 . 1 1 84 84 ASN N N 84 115.853 115.853 115.183 0.670 19425 5463 1 7 . 1 1 84 84 ASN C C 84 178.944 178.944 177.041 1.903 19425 5464 1 7 . 1 1 84 84 ASN CA C 84 54.167 54.167 55.964 -1.796 19425 5465 1 7 . 1 1 84 84 ASN CB C 84 39.465 39.465 38.462 1.003 19425 5466 1 7 . 1 1 84 84 ASN H H 84 7.729 7.729 7.967 -0.238 19425 5467 1 7 . 1 1 85 85 THR N N 85 112.611 112.611 109.724 2.887 19425 5468 1 7 . 1 1 85 85 THR C C 85 175.569 175.569 175.455 0.114 19425 5469 1 7 . 1 1 85 85 THR CA C 85 63.086 63.086 64.452 -1.366 19425 5470 1 7 . 1 1 85 85 THR CB C 85 70.071 70.071 68.559 1.512 19425 5471 1 7 . 1 1 85 85 THR H H 85 7.698 7.698 7.332 0.366 19425 5472 1 7 . 1 1 86 86 VAL N N 86 121.812 121.812 119.964 1.848 19425 5473 1 7 . 1 1 86 86 VAL C C 86 174.573 174.573 176.981 -2.408 19425 5474 1 7 . 1 1 86 86 VAL CA C 86 62.811 62.811 64.325 -1.514 19425 5475 1 7 . 1 1 86 86 VAL CB C 86 32.730 32.730 31.985 0.745 19425 5476 1 7 . 1 1 86 86 VAL H H 86 7.874 7.874 7.414 0.460 19425 5477 1 7 . 1 1 87 87 GLU N N 87 124.330 124.330 120.656 3.674 19425 5478 1 7 . 1 1 87 87 GLU C C 87 176.280 176.280 176.244 0.036 19425 5479 1 7 . 1 1 87 87 GLU CA C 87 56.877 56.877 57.569 -0.692 19425 5480 1 7 . 1 1 87 87 GLU CB C 87 29.852 29.852 30.681 -0.829 19425 5481 1 7 . 1 1 87 87 GLU H H 87 8.403 8.403 7.842 0.561 19425 5482 1 7 . 1 1 88 88 LYS N N 88 122.065 122.065 116.630 5.435 19425 5483 1 7 . 1 1 88 88 LYS C C 88 176.966 176.966 174.805 2.161 19425 5484 1 7 . 1 1 88 88 LYS CA C 88 56.799 56.799 55.677 1.122 19425 5485 1 7 . 1 1 88 88 LYS CB C 88 32.597 32.597 33.244 -0.647 19425 5486 1 7 . 1 1 88 88 LYS H H 88 8.330 8.330 7.760 0.570 19425 5487 1 7 . 1 1 89 89 SER N N 89 116.192 116.192 115.396 0.796 19425 5488 1 7 . 1 1 89 89 SER C C 89 176.865 176.865 172.900 3.965 19425 5489 1 7 . 1 1 89 89 SER CA C 89 59.008 59.008 58.922 0.086 19425 5490 1 7 . 1 1 89 89 SER CB C 89 63.765 63.765 63.257 0.508 19425 5491 1 7 . 1 1 89 89 SER H H 89 8.247 8.247 8.531 -0.284 19425 5492 1 7 . 1 1 90 90 GLU N N 90 122.006 122.006 120.752 1.254 19425 5493 1 7 . 1 1 90 90 GLU C C 90 174.702 174.702 175.299 -0.597 19425 5494 1 7 . 1 1 90 90 GLU CA C 90 57.231 57.231 56.175 1.056 19425 5495 1 7 . 1 1 90 90 GLU CB C 90 29.442 29.442 30.983 -1.541 19425 5496 1 7 . 1 1 90 90 GLU H H 90 8.560 8.560 8.399 0.161 19425 5497 1 7 . 1 1 91 91 GLY N N 91 110.052 110.052 108.792 1.260 19425 5498 1 7 . 1 1 91 91 GLY C C 91 177.170 177.170 174.379 2.791 19425 5499 1 7 . 1 1 91 91 GLY CA C 91 45.634 45.634 45.380 0.254 19425 5500 1 7 . 1 1 91 91 GLY H H 91 8.358 8.358 8.697 -0.339 19425 5501 1 7 . 1 1 92 92 GLN N N 92 120.053 120.053 117.376 2.677 19425 5502 1 7 . 1 1 92 92 GLN C C 92 173.905 173.905 174.390 -0.485 19425 5503 1 7 . 1 1 92 92 GLN CA C 92 55.261 55.261 56.236 -0.974 19425 5504 1 7 . 1 1 92 92 GLN CB C 92 29.573 29.573 28.590 0.984 19425 5505 1 7 . 1 1 92 92 GLN H H 92 8.075 8.075 8.338 -0.263 19425 5506 1 7 . 1 1 93 93 VAL N N 93 123.434 123.434 116.454 6.980 19425 5507 1 7 . 1 1 93 93 VAL C C 93 175.667 175.667 175.212 0.455 19425 5508 1 7 . 1 1 93 93 VAL CA C 93 62.914 62.914 61.176 1.738 19425 5509 1 7 . 1 1 93 93 VAL CB C 93 32.629 32.629 32.363 0.266 19425 5510 1 7 . 1 1 93 93 VAL H H 93 8.370 8.370 8.132 0.238 19425 5511 1 7 . 1 1 94 94 ASP N N 94 125.761 125.761 124.835 0.926 19425 5512 1 7 . 1 1 94 94 ASP C C 94 175.704 175.704 175.322 0.382 19425 5513 1 7 . 1 1 94 94 ASP CA C 94 53.743 53.743 53.659 0.084 19425 5514 1 7 . 1 1 94 94 ASP CB C 94 40.771 40.771 40.735 0.036 19425 5515 1 7 . 1 1 94 94 ASP H H 94 8.550 8.550 8.409 0.141 19425 5516 1 7 . 1 1 95 95 VAL N N 95 125.064 125.064 120.790 4.274 19425 5517 1 7 . 1 1 95 95 VAL C C 95 176.465 176.465 176.615 -0.150 19425 5518 1 7 . 1 1 95 95 VAL CA C 95 65.487 65.487 64.103 1.384 19425 5519 1 7 . 1 1 95 95 VAL CB C 95 31.773 31.773 32.243 -0.470 19425 5520 1 7 . 1 1 95 95 VAL H H 95 8.300 8.300 7.959 0.341 19425 5521 1 7 . 1 1 96 96 GLU N N 96 120.880 120.880 118.125 2.755 19425 5522 1 7 . 1 1 96 96 GLU C C 96 177.523 177.523 177.706 -0.183 19425 5523 1 7 . 1 1 96 96 GLU CA C 96 59.157 59.157 58.612 0.545 19425 5524 1 7 . 1 1 96 96 GLU CB C 96 28.575 28.575 29.754 -1.179 19425 5525 1 7 . 1 1 96 96 GLU H H 96 8.297 8.297 8.522 -0.225 19425 5526 1 7 . 1 1 97 97 LYS N N 97 121.943 121.943 119.235 2.708 19425 5527 1 7 . 1 1 97 97 LYS C C 97 179.434 179.434 178.369 1.065 19425 5528 1 7 . 1 1 97 97 LYS CA C 97 59.186 59.186 57.948 1.238 19425 5529 1 7 . 1 1 97 97 LYS CB C 97 32.036 32.036 31.837 0.199 19425 5530 1 7 . 1 1 97 97 LYS H H 97 7.979 7.979 8.400 -0.421 19425 5531 1 7 . 1 1 98 98 TRP N N 98 121.420 121.420 119.587 1.833 19425 5532 1 7 . 1 1 98 98 TRP C C 98 178.673 178.673 178.133 0.540 19425 5533 1 7 . 1 1 98 98 TRP CA C 98 60.176 60.176 60.689 -0.513 19425 5534 1 7 . 1 1 98 98 TRP CB C 98 29.340 29.340 28.971 0.369 19425 5535 1 7 . 1 1 98 98 TRP H H 98 8.202 8.202 7.990 0.212 19425 5536 1 7 . 1 1 99 99 LYS N N 99 118.236 118.236 117.778 0.458 19425 5537 1 7 . 1 1 99 99 LYS C C 99 177.374 177.374 178.753 -1.379 19425 5538 1 7 . 1 1 99 99 LYS CA C 99 59.812 59.812 59.481 0.331 19425 5539 1 7 . 1 1 99 99 LYS CB C 99 32.042 32.042 31.439 0.603 19425 5540 1 7 . 1 1 99 99 LYS H H 99 8.346 8.346 8.593 -0.247 19425 5541 1 7 . 1 1 100 100 PHE N N 100 120.365 120.365 121.682 -1.317 19425 5542 1 7 . 1 1 100 100 PHE C C 100 179.193 179.193 177.063 2.130 19425 5543 1 7 . 1 1 100 100 PHE CA C 100 60.902 60.902 61.431 -0.529 19425 5544 1 7 . 1 1 100 100 PHE CB C 100 38.875 38.875 39.479 -0.604 19425 5545 1 7 . 1 1 100 100 PHE H H 100 7.916 7.916 7.907 0.009 19425 5546 1 7 . 1 1 101 101 MET N N 101 121.837 121.837 120.944 0.893 19425 5547 1 7 . 1 1 101 101 MET C C 101 178.172 178.172 178.477 -0.305 19425 5548 1 7 . 1 1 101 101 MET CA C 101 58.625 58.625 59.300 -0.675 19425 5549 1 7 . 1 1 101 101 MET CB C 101 32.081 32.081 32.933 -0.852 19425 5550 1 7 . 1 1 101 101 MET H H 101 8.393 8.393 8.293 0.100 19425 5551 1 7 . 1 1 102 102 MET N N 102 119.901 119.901 117.988 1.913 19425 5552 1 7 . 1 1 102 102 MET C C 102 178.655 178.655 178.067 0.588 19425 5553 1 7 . 1 1 102 102 MET CA C 102 57.867 57.867 59.153 -1.286 19425 5554 1 7 . 1 1 102 102 MET CB C 102 32.414 32.414 32.502 -0.088 19425 5555 1 7 . 1 1 102 102 MET H H 102 8.174 8.174 8.445 -0.271 19425 5556 1 7 . 1 1 103 103 LYS N N 103 120.555 120.555 120.184 0.371 19425 5557 1 7 . 1 1 103 103 LYS C C 103 177.857 177.857 178.721 -0.864 19425 5558 1 7 . 1 1 103 103 LYS CA C 103 58.592 58.592 59.337 -0.745 19425 5559 1 7 . 1 1 103 103 LYS CB C 103 31.816 31.816 32.008 -0.192 19425 5560 1 7 . 1 1 103 103 LYS H H 103 7.899 7.899 8.007 -0.108 19425 5561 1 7 . 1 1 104 104 THR N N 104 115.450 115.450 111.957 3.493 19425 5562 1 7 . 1 1 104 104 THR C C 104 179.267 179.267 176.555 2.712 19425 5563 1 7 . 1 1 104 104 THR CA C 104 64.914 64.914 65.738 -0.824 19425 5564 1 7 . 1 1 104 104 THR CB C 104 69.103 69.103 68.635 0.468 19425 5565 1 7 . 1 1 104 104 THR H H 104 7.895 7.895 7.989 -0.094 19425 5566 1 7 . 1 1 105 105 ALA N N 105 124.862 124.862 123.847 1.015 19425 5567 1 7 . 1 1 105 105 ALA C C 105 176.057 176.057 179.539 -3.482 19425 5568 1 7 . 1 1 105 105 ALA CA C 105 54.106 54.106 54.695 -0.589 19425 5569 1 7 . 1 1 105 105 ALA CB C 105 18.493 18.493 18.170 0.323 19425 5570 1 7 . 1 1 105 105 ALA H H 105 7.896 7.896 7.987 -0.091 19425 5571 1 7 . 1 1 106 106 GLN N N 106 117.285 117.285 118.573 -1.288 19425 5572 1 7 . 1 1 106 106 GLN C C 106 178.655 178.655 178.209 0.446 19425 5573 1 7 . 1 1 106 106 GLN CA C 106 56.913 56.913 57.849 -0.936 19425 5574 1 7 . 1 1 106 106 GLN CB C 106 29.148 29.148 28.915 0.233 19425 5575 1 7 . 1 1 106 106 GLN H H 106 7.944 7.944 7.958 -0.014 19425 5576 1 7 . 1 1 107 107 GLY N N 107 107.494 107.494 106.319 1.175 19425 5577 1 7 . 1 1 107 107 GLY C C 107 177.597 177.597 174.740 2.857 19425 5578 1 7 . 1 1 107 107 GLY CA C 107 45.975 45.975 45.718 0.258 19425 5579 1 7 . 1 1 107 107 GLY H H 107 7.852 7.852 8.103 -0.251 19425 5580 1 7 . 1 1 108 108 GLY N N 108 109.642 109.642 109.296 0.346 19425 5581 1 7 . 1 1 108 108 GLY C C 108 174.740 174.740 172.980 1.760 19425 5582 1 7 . 1 1 108 108 GLY CA C 108 45.151 45.151 44.629 0.522 19425 5583 1 7 . 1 1 108 108 GLY H H 108 8.313 8.313 8.112 0.201 19425 5584 1 7 . 1 1 109 109 GLY N N 109 108.058 108.058 107.760 0.298 19425 5585 1 7 . 1 1 109 109 GLY C C 109 174.313 174.313 172.886 1.427 19425 5586 1 7 . 1 1 109 109 GLY CA C 109 44.659 44.659 45.458 -0.798 19425 5587 1 7 . 1 1 109 109 GLY H H 109 8.059 8.059 8.067 -0.008 19425 5588 1 7 . 1 1 110 110 HIS N N 110 118.432 118.432 119.455 -1.023 19425 5589 1 7 . 1 1 110 110 HIS C C 110 173.348 173.348 174.090 -0.742 19425 5590 1 7 . 1 1 110 110 HIS CA C 110 55.590 55.590 56.246 -0.656 19425 5591 1 7 . 1 1 110 110 HIS CB C 110 28.502 28.502 32.057 -3.555 19425 5592 1 7 . 1 1 110 110 HIS H H 110 8.261 8.261 8.460 -0.199 19425 5593 1 7 . 1 1 111 111 ARG N N 111 122.052 122.052 119.566 2.486 19425 5594 1 7 . 1 1 111 111 ARG C C 111 174.908 174.908 173.879 1.029 19425 5595 1 7 . 1 1 111 111 ARG CA C 111 55.233 55.233 55.271 -0.038 19425 5596 1 7 . 1 1 111 111 ARG CB C 111 31.125 31.125 32.800 -1.675 19425 5597 1 7 . 1 1 111 111 ARG H H 111 8.597 8.597 8.121 0.476 19425 5598 1 7 . 1 1 112 112 THR N N 112 120.248 120.248 117.748 2.500 19425 5599 1 7 . 1 1 112 112 THR C C 112 176.447 176.447 174.332 2.115 19425 5600 1 7 . 1 1 112 112 THR CA C 112 63.723 63.723 62.762 0.961 19425 5601 1 7 . 1 1 112 112 THR CB C 112 68.984 68.984 69.377 -0.393 19425 5602 1 7 . 1 1 112 112 THR H H 112 8.577 8.577 8.400 0.177 19425 5603 1 7 . 1 1 113 113 LEU N N 113 130.382 130.382 125.719 4.663 19425 5604 1 7 . 1 1 113 113 LEU C C 113 174.294 174.294 175.408 -1.114 19425 5605 1 7 . 1 1 113 113 LEU CA C 113 56.791 56.791 54.554 2.236 19425 5606 1 7 . 1 1 113 113 LEU CB C 113 41.705 41.705 42.570 -0.865 19425 5607 1 7 . 1 1 113 113 LEU H H 113 8.515 8.515 8.846 -0.331 19425 5608 1 7 . 1 1 114 114 LEU N N 114 118.829 118.829 122.173 -3.344 19425 5609 1 7 . 1 1 114 114 LEU C C 114 175.278 175.278 176.659 -1.381 19425 5610 1 7 . 1 1 114 114 LEU CA C 114 51.667 51.667 52.594 -0.927 19425 5611 1 7 . 1 1 114 114 LEU CB C 114 42.454 42.454 44.455 -2.001 19425 5612 1 7 . 1 1 114 114 LEU H H 114 6.454 6.454 8.065 -1.611 19425 5613 1 7 . 1 1 115 115 TYR N N 115 119.059 119.059 121.217 -2.158 19425 5614 1 7 . 1 1 115 115 TYR C C 115 177.152 177.152 177.327 -0.175 19425 5615 1 7 . 1 1 115 115 TYR CA C 115 62.452 62.452 60.607 1.845 19425 5616 1 7 . 1 1 115 115 TYR CB C 115 38.058 38.058 38.000 0.058 19425 5617 1 7 . 1 1 115 115 TYR H H 115 8.797 8.797 8.715 0.082 19425 5618 1 7 . 1 1 116 116 GLY N N 116 115.795 115.795 113.377 2.418 19425 5619 1 7 . 1 1 116 116 GLY C C 116 178.061 178.061 173.927 4.134 19425 5620 1 7 . 1 1 116 116 GLY CA C 116 45.100 45.100 45.146 -0.046 19425 5621 1 7 . 1 1 116 116 GLY H H 116 9.672 9.672 9.146 0.526 19425 5622 1 7 . 1 1 117 117 HIS N N 117 122.193 122.193 121.582 0.611 19425 5623 1 7 . 1 1 117 117 HIS C C 117 175.463 175.463 173.746 1.717 19425 5624 1 7 . 1 1 117 117 HIS CA C 117 56.119 56.119 55.692 0.427 19425 5625 1 7 . 1 1 117 117 HIS CB C 117 32.293 32.293 30.417 1.876 19425 5626 1 7 . 1 1 117 117 HIS H H 117 8.113 8.113 7.797 0.316 19425 5627 1 7 . 1 1 118 118 ALA N N 118 120.893 120.893 126.608 -5.715 19425 5628 1 7 . 1 1 118 118 ALA C C 118 173.775 173.775 176.128 -2.353 19425 5629 1 7 . 1 1 118 118 ALA CA C 118 50.378 50.378 51.387 -1.009 19425 5630 1 7 . 1 1 118 118 ALA CB C 118 21.646 21.646 19.594 2.052 19425 5631 1 7 . 1 1 118 118 ALA H H 118 9.458 9.458 8.870 0.588 19425 5632 1 7 . 1 1 120 120 LEU N N 120 119.631 119.631 123.624 -3.993 19425 5633 1 7 . 1 1 120 120 LEU C C 120 173.367 173.367 174.696 -1.329 19425 5634 1 7 . 1 1 120 120 LEU CA C 120 56.217 56.217 52.894 3.323 19425 5635 1 7 . 1 1 120 120 LEU CB C 120 39.519 39.519 44.076 -4.557 19425 5636 1 7 . 1 1 120 120 LEU H H 120 8.746 8.746 8.269 0.477 19425 5637 1 7 . 1 1 121 121 LEU N N 121 118.900 118.900 126.914 -8.014 19425 5638 1 7 . 1 1 121 121 LEU C C 121 171.400 171.400 175.787 -4.387 19425 5639 1 7 . 1 1 121 121 LEU CA C 121 52.852 52.852 53.736 -0.884 19425 5640 1 7 . 1 1 121 121 LEU CB C 121 43.452 43.452 42.788 0.664 19425 5641 1 7 . 1 1 121 121 LEU H H 121 8.590 8.590 8.557 0.033 19425 5642 1 7 . 1 1 122 122 ARG N N 122 123.588 123.588 124.963 -1.375 19425 5643 1 7 . 1 1 122 122 ARG C C 122 176.465 176.465 175.427 1.038 19425 5644 1 7 . 1 1 122 122 ARG CA C 122 54.403 54.403 53.983 0.420 19425 5645 1 7 . 1 1 122 122 ARG CB C 122 32.897 32.897 31.723 1.174 19425 5646 1 7 . 1 1 122 122 ARG H H 122 9.077 9.077 8.752 0.325 19425 5647 1 7 . 1 1 123 123 HIS N N 123 131.440 131.440 127.462 3.978 19425 5648 1 7 . 1 1 123 123 HIS C C 123 175.704 175.704 175.484 0.220 19425 5649 1 7 . 1 1 123 123 HIS CA C 123 56.637 56.637 56.760 -0.122 19425 5650 1 7 . 1 1 123 123 HIS CB C 123 31.261 31.261 30.053 1.208 19425 5651 1 7 . 1 1 123 123 HIS H H 123 9.622 9.622 8.462 1.160 19425 5652 1 7 . 1 1 124 124 SER N N 124 127.024 127.024 124.562 2.462 19425 5653 1 7 . 1 1 124 124 SER C C 124 175.686 175.686 176.184 -0.498 19425 5654 1 7 . 1 1 124 124 SER CA C 124 62.010 62.010 61.219 0.791 19425 5655 1 7 . 1 1 124 124 SER CB C 124 62.912 62.912 62.736 0.176 19425 5656 1 7 . 1 1 124 124 SER H H 124 7.840 7.840 7.856 -0.016 19425 5657 1 7 . 1 1 125 125 TYR N N 125 119.708 119.708 121.113 -1.405 19425 5658 1 7 . 1 1 125 125 TYR C C 125 180.696 180.696 176.639 4.057 19425 5659 1 7 . 1 1 125 125 TYR CA C 125 60.903 60.903 60.759 0.144 19425 5660 1 7 . 1 1 125 125 TYR CB C 125 38.744 38.744 38.584 0.160 19425 5661 1 7 . 1 1 125 125 TYR H H 125 8.746 8.746 7.422 1.324 19425 5662 1 7 . 1 1 126 126 SER N N 126 110.333 110.333 112.761 -2.428 19425 5663 1 7 . 1 1 126 126 SER C C 126 176.543 176.543 175.672 0.871 19425 5664 1 7 . 1 1 126 126 SER CA C 126 59.366 59.366 59.606 -0.240 19425 5665 1 7 . 1 1 126 126 SER CB C 126 65.282 65.282 64.269 1.013 19425 5666 1 7 . 1 1 126 126 SER H H 126 7.004 7.004 8.159 -1.155 19425 5667 1 7 . 1 1 127 127 GLY N N 127 113.322 113.322 108.795 4.527 19425 5668 1 7 . 1 1 127 127 GLY C C 127 176.428 176.428 174.318 2.110 19425 5669 1 7 . 1 1 127 127 GLY CA C 127 46.064 46.064 45.846 0.218 19425 5670 1 7 . 1 1 127 127 GLY H H 127 8.181 8.181 8.371 -0.190 19425 5671 1 7 . 1 1 128 128 MET N N 128 118.598 118.598 118.290 0.308 19425 5672 1 7 . 1 1 128 128 MET C C 128 173.200 173.200 174.962 -1.762 19425 5673 1 7 . 1 1 128 128 MET CA C 128 55.429 55.429 56.361 -0.932 19425 5674 1 7 . 1 1 128 128 MET CB C 128 35.988 35.988 34.115 1.873 19425 5675 1 7 . 1 1 128 128 MET H H 128 7.551 7.551 7.390 0.161 19425 5676 1 7 . 1 1 129 129 TYR N N 129 116.715 116.715 114.486 2.229 19425 5677 1 7 . 1 1 129 129 TYR C C 129 172.884 172.884 175.826 -2.942 19425 5678 1 7 . 1 1 129 129 TYR CA C 129 58.658 58.658 57.119 1.539 19425 5679 1 7 . 1 1 129 129 TYR CB C 129 40.914 40.914 41.166 -0.252 19425 5680 1 7 . 1 1 129 129 TYR H H 129 8.923 8.923 8.503 0.420 19425 5681 1 7 . 1 1 130 130 LEU N N 130 123.061 123.061 125.912 -2.851 19425 5682 1 7 . 1 1 130 130 LEU C C 130 176.677 176.677 176.712 -0.035 19425 5683 1 7 . 1 1 130 130 LEU CA C 130 56.311 56.311 56.249 0.062 19425 5684 1 7 . 1 1 130 130 LEU CB C 130 42.909 42.909 42.271 0.638 19425 5685 1 7 . 1 1 130 130 LEU H H 130 8.236 8.236 8.927 -0.691 19425 5686 1 7 . 1 1 131 131 CYS N N 131 126.618 126.618 124.502 2.116 19425 5687 1 7 . 1 1 131 131 CYS C C 131 177.616 177.616 173.452 4.164 19425 5688 1 7 . 1 1 131 131 CYS CA C 131 57.028 57.028 55.817 1.211 19425 5689 1 7 . 1 1 131 131 CYS CB C 131 32.339 32.339 31.234 1.105 19425 5690 1 7 . 1 1 131 131 CYS H H 131 9.516 9.516 9.456 0.060 19425 5691 1 7 . 1 1 132 132 CYS N N 132 124.860 124.860 123.940 0.920 19425 5692 1 7 . 1 1 132 132 CYS C C 132 172.309 172.309 174.778 -2.469 19425 5693 1 7 . 1 1 132 132 CYS CA C 132 59.436 59.436 57.292 2.144 19425 5694 1 7 . 1 1 132 132 CYS CB C 132 27.383 27.383 25.997 1.385 19425 5695 1 7 . 1 1 132 132 CYS H H 132 8.142 8.142 8.251 -0.109 19425 5696 1 7 . 1 1 133 133 LEU N N 133 131.382 131.382 128.989 2.393 19425 5697 1 7 . 1 1 133 133 LEU C C 133 174.035 174.035 177.563 -3.528 19425 5698 1 7 . 1 1 133 133 LEU CA C 133 54.799 54.799 54.835 -0.036 19425 5699 1 7 . 1 1 133 133 LEU CB C 133 41.109 41.109 42.564 -1.455 19425 5700 1 7 . 1 1 133 133 LEU H H 133 9.008 9.008 8.594 0.414 19425 5701 1 7 . 1 1 134 134 SER N N 134 112.103 112.103 113.081 -0.978 19425 5702 1 7 . 1 1 134 134 SER C C 134 175.519 175.519 174.252 1.267 19425 5703 1 7 . 1 1 134 134 SER CA C 134 58.320 58.320 58.642 -0.321 19425 5704 1 7 . 1 1 134 134 SER CB C 134 63.979 63.979 63.050 0.929 19425 5705 1 7 . 1 1 134 134 SER H H 134 8.229 8.229 8.206 0.023 19425 5706 1 7 . 1 1 135 135 THR N N 135 111.693 111.693 112.382 -0.689 19425 5707 1 7 . 1 1 135 135 THR C C 135 174.535 174.535 175.302 -0.767 19425 5708 1 7 . 1 1 135 135 THR CA C 135 60.703 60.703 60.105 0.598 19425 5709 1 7 . 1 1 135 135 THR CB C 135 70.624 70.624 71.024 -0.400 19425 5710 1 7 . 1 1 135 135 THR H H 135 7.292 7.292 7.306 -0.014 19425 5711 1 7 . 1 1 136 136 SER N N 136 117.260 117.260 122.175 -4.915 19425 5712 1 7 . 1 1 136 136 SER C C 136 173.478 173.478 174.904 -1.426 19425 5713 1 7 . 1 1 136 136 SER CA C 136 57.537 57.537 60.914 -3.377 19425 5714 1 7 . 1 1 136 136 SER CB C 136 64.593 64.593 64.040 0.553 19425 5715 1 7 . 1 1 136 136 SER H H 136 8.544 8.544 9.153 -0.609 19425 5716 1 7 . 1 1 137 137 ARG N N 137 124.804 124.804 114.169 10.635 19425 5717 1 7 . 1 1 137 137 ARG C C 137 175.000 175.000 175.040 -0.040 19425 5718 1 7 . 1 1 137 137 ARG CA C 137 56.922 56.922 56.145 0.777 19425 5719 1 7 . 1 1 137 137 ARG CB C 137 30.733 30.733 31.589 -0.856 19425 5720 1 7 . 1 1 137 137 ARG H H 137 9.231 9.231 8.116 1.115 19425 5721 1 7 . 1 1 138 138 SER N N 138 126.225 126.225 116.538 9.687 19425 5722 1 7 . 1 1 138 138 SER C C 138 175.871 175.871 173.577 2.294 19425 5723 1 7 . 1 1 138 138 SER CA C 138 61.891 61.891 58.810 3.081 19425 5724 1 7 . 1 1 138 138 SER CB C 138 62.730 62.730 63.765 -1.035 19425 5725 1 7 . 1 1 138 138 SER H H 138 7.891 7.891 7.732 0.159 19425 5726 1 7 . 1 1 140 140 THR N N 140 114.799 114.799 115.027 -0.228 19425 5727 1 7 . 1 1 140 140 THR C C 140 173.756 173.756 173.053 0.703 19425 5728 1 7 . 1 1 140 140 THR CA C 140 62.895 62.895 62.947 -0.052 19425 5729 1 7 . 1 1 140 140 THR CB C 140 69.332 69.332 69.121 0.212 19425 5730 1 7 . 1 1 140 140 THR H H 140 8.168 8.168 8.326 -0.158 19425 5731 1 7 . 1 1 141 141 ASP N N 141 121.772 121.772 123.915 -2.143 19425 5732 1 7 . 1 1 141 141 ASP C C 141 174.795 174.795 176.423 -1.628 19425 5733 1 7 . 1 1 141 141 ASP CA C 141 54.001 54.001 55.346 -1.345 19425 5734 1 7 . 1 1 141 141 ASP CB C 141 40.914 40.914 41.245 -0.330 19425 5735 1 7 . 1 1 141 141 ASP H H 141 8.049 8.049 8.580 -0.531 19425 5736 1 7 . 1 1 142 142 LYS N N 142 121.585 121.585 125.566 -3.981 19425 5737 1 7 . 1 1 142 142 LYS C C 142 176.274 176.274 176.109 0.165 19425 5738 1 7 . 1 1 142 142 LYS CA C 142 57.106 57.106 55.584 1.522 19425 5739 1 7 . 1 1 142 142 LYS CB C 142 31.369 31.369 33.343 -1.974 19425 5740 1 7 . 1 1 142 142 LYS H H 142 8.376 8.376 8.692 -0.316 19425 5741 1 7 . 1 1 143 143 LEU N N 143 119.604 119.604 119.867 -0.263 19425 5742 1 7 . 1 1 143 143 LEU C C 143 176.798 176.798 176.877 -0.079 19425 5743 1 7 . 1 1 143 143 LEU CA C 143 55.261 55.261 57.222 -1.961 19425 5744 1 7 . 1 1 143 143 LEU CB C 143 41.487 41.487 40.623 0.864 19425 5745 1 7 . 1 1 143 143 LEU H H 143 8.262 8.262 8.872 -0.610 19425 5746 1 7 . 1 1 144 144 ALA N N 144 123.881 123.881 119.983 3.898 19425 5747 1 7 . 1 1 144 144 ALA C C 144 176.410 176.410 176.341 0.069 19425 5748 1 7 . 1 1 144 144 ALA CA C 144 51.335 51.335 50.762 0.573 19425 5749 1 7 . 1 1 144 144 ALA CB C 144 20.924 20.924 21.353 -0.429 19425 5750 1 7 . 1 1 144 144 ALA H H 144 7.614 7.614 7.725 -0.111 19425 5751 1 7 . 1 1 145 145 PHE N N 145 120.083 120.083 118.130 1.953 19425 5752 1 7 . 1 1 145 145 PHE C C 145 176.948 176.948 175.469 1.479 19425 5753 1 7 . 1 1 145 145 PHE CA C 145 55.872 55.872 56.728 -0.856 19425 5754 1 7 . 1 1 145 145 PHE CB C 145 42.468 42.468 41.202 1.266 19425 5755 1 7 . 1 1 145 145 PHE H H 145 8.647 8.647 8.612 0.035 19425 5756 1 7 . 1 1 146 146 ASP N N 146 119.893 119.893 120.474 -0.581 19425 5757 1 7 . 1 1 146 146 ASP C C 146 175.519 175.519 174.444 1.075 19425 5758 1 7 . 1 1 146 146 ASP CA C 146 54.679 54.679 54.672 0.007 19425 5759 1 7 . 1 1 146 146 ASP CB C 146 42.169 42.169 42.862 -0.693 19425 5760 1 7 . 1 1 146 146 ASP H H 146 8.692 8.692 8.857 -0.165 19425 5761 1 7 . 1 1 147 147 VAL N N 147 118.800 118.800 121.739 -2.939 19425 5762 1 7 . 1 1 147 147 VAL C C 147 174.053 174.053 175.594 -1.541 19425 5763 1 7 . 1 1 147 147 VAL CA C 147 60.671 60.671 60.917 -0.246 19425 5764 1 7 . 1 1 147 147 VAL CB C 147 35.326 35.326 32.318 3.008 19425 5765 1 7 . 1 1 147 147 VAL H H 147 8.224 8.224 8.651 -0.427 19425 5766 1 7 . 1 1 148 148 GLY N N 148 113.226 113.226 115.072 -1.846 19425 5767 1 7 . 1 1 148 148 GLY C C 148 175.141 175.141 172.126 3.015 19425 5768 1 7 . 1 1 148 148 GLY CA C 148 45.384 45.384 43.742 1.642 19425 5769 1 7 . 1 1 148 148 GLY H H 148 8.594 8.594 8.883 -0.289 19425 5770 1 7 . 1 1 149 149 LEU N N 149 120.880 120.880 119.684 1.196 19425 5771 1 7 . 1 1 149 149 LEU C C 149 170.973 170.973 175.894 -4.921 19425 5772 1 7 . 1 1 149 149 LEU CA C 149 53.299 53.299 53.794 -0.495 19425 5773 1 7 . 1 1 149 149 LEU CB C 149 43.938 43.938 45.132 -1.194 19425 5774 1 7 . 1 1 149 149 LEU H H 149 8.303 8.303 8.034 0.269 19425 5775 1 7 . 1 1 150 150 GLN N N 150 118.978 118.978 121.393 -2.415 19425 5776 1 7 . 1 1 150 150 GLN C C 150 177.133 177.133 175.800 1.333 19425 5777 1 7 . 1 1 150 150 GLN CA C 150 54.723 54.723 54.788 -0.065 19425 5778 1 7 . 1 1 150 150 GLN CB C 150 32.690 32.690 32.486 0.204 19425 5779 1 7 . 1 1 150 150 GLN H H 150 9.115 9.115 8.915 0.200 19425 5780 1 7 . 1 1 151 151 GLU N N 151 121.344 121.344 124.549 -3.205 19425 5781 1 7 . 1 1 151 151 GLU C C 151 175.333 175.333 176.240 -0.907 19425 5782 1 7 . 1 1 151 151 GLU CA C 151 59.140 59.140 58.888 0.252 19425 5783 1 7 . 1 1 151 151 GLU CB C 151 30.735 30.735 29.741 0.995 19425 5784 1 7 . 1 1 151 151 GLU H H 151 9.142 9.142 8.849 0.293 19425 5785 1 7 . 1 1 152 152 ASP N N 152 117.494 117.494 116.653 0.841 19425 5786 1 7 . 1 1 152 152 ASP C C 152 176.391 176.391 176.446 -0.055 19425 5787 1 7 . 1 1 152 152 ASP CA C 152 54.139 54.139 53.965 0.174 19425 5788 1 7 . 1 1 152 152 ASP CB C 152 41.920 41.920 41.345 0.575 19425 5789 1 7 . 1 1 152 152 ASP H H 152 8.023 8.023 7.981 0.042 19425 5790 1 7 . 1 1 153 153 THR N N 153 111.969 111.969 107.118 4.851 19425 5791 1 7 . 1 1 153 153 THR C C 153 175.964 175.964 174.701 1.263 19425 5792 1 7 . 1 1 153 153 THR CA C 153 61.894 61.894 61.875 0.019 19425 5793 1 7 . 1 1 153 153 THR CB C 153 68.903 68.903 69.124 -0.220 19425 5794 1 7 . 1 1 153 153 THR H H 153 7.985 7.985 8.143 -0.158 19425 5795 1 7 . 1 1 154 154 THR N N 154 113.978 113.978 113.399 0.579 19425 5796 1 7 . 1 1 154 154 THR C C 154 175.000 175.000 175.140 -0.140 19425 5797 1 7 . 1 1 154 154 THR CA C 154 62.359 62.359 62.795 -0.436 19425 5798 1 7 . 1 1 154 154 THR CB C 154 69.210 69.210 68.577 0.633 19425 5799 1 7 . 1 1 154 154 THR H H 154 7.790 7.790 7.627 0.163 19425 5800 1 7 . 1 1 155 155 GLY N N 155 108.411 108.411 114.540 -6.129 19425 5801 1 7 . 1 1 155 155 GLY C C 155 174.702 174.702 172.423 2.279 19425 5802 1 7 . 1 1 155 155 GLY CA C 155 44.737 44.737 44.727 0.010 19425 5803 1 7 . 1 1 155 155 GLY H H 155 7.639 7.639 8.096 -0.457 19425 5804 1 7 . 1 1 156 156 GLU N N 156 118.666 118.666 120.487 -1.821 19425 5805 1 7 . 1 1 156 156 GLU C C 156 173.571 173.571 177.802 -4.231 19425 5806 1 7 . 1 1 156 156 GLU CA C 156 59.352 59.352 56.946 2.406 19425 5807 1 7 . 1 1 156 156 GLU CB C 156 31.248 31.248 30.338 0.910 19425 5808 1 7 . 1 1 156 156 GLU H H 156 8.606 8.606 8.708 -0.102 19425 5809 1 7 . 1 1 157 157 ALA N N 157 118.664 118.664 123.720 -5.056 19425 5810 1 7 . 1 1 157 157 ALA C C 157 177.727 177.727 178.274 -0.547 19425 5811 1 7 . 1 1 157 157 ALA CA C 157 55.063 55.063 54.728 0.335 19425 5812 1 7 . 1 1 157 157 ALA CB C 157 18.856 18.856 18.404 0.452 19425 5813 1 7 . 1 1 157 157 ALA H H 157 8.159 8.159 8.505 -0.346 19425 5814 1 7 . 1 1 158 158 CYS N N 158 114.681 114.681 114.869 -0.188 19425 5815 1 7 . 1 1 158 158 CYS C C 158 179.972 179.972 173.607 6.365 19425 5816 1 7 . 1 1 158 158 CYS CA C 158 57.585 57.585 58.139 -0.554 19425 5817 1 7 . 1 1 158 158 CYS CB C 158 27.977 27.977 26.953 1.024 19425 5818 1 7 . 1 1 158 158 CYS H H 158 7.973 7.973 8.214 -0.241 19425 5819 1 7 . 1 1 165 165 ALA N N 165 122.416 122.416 127.635 -5.219 19425 5820 1 7 . 1 1 165 165 ALA C C 165 176.743 176.743 177.792 -1.049 19425 5821 1 7 . 1 1 165 165 ALA CA C 165 52.390 52.390 53.761 -1.371 19425 5822 1 7 . 1 1 165 165 ALA CB C 165 20.486 20.486 19.247 1.240 19425 5823 1 7 . 1 1 165 165 ALA H H 165 8.190 8.190 8.591 -0.401 19425 5824 1 7 . 1 1 166 166 SER N N 166 111.681 111.681 112.275 -0.594 19425 5825 1 7 . 1 1 166 166 SER C C 166 176.876 176.876 174.609 2.267 19425 5826 1 7 . 1 1 166 166 SER CA C 166 56.863 56.863 56.370 0.493 19425 5827 1 7 . 1 1 166 166 SER CB C 166 65.738 65.738 64.245 1.493 19425 5828 1 7 . 1 1 166 166 SER H H 166 7.690 7.690 7.629 0.061 19425 5829 1 7 . 1 1 167 167 LYS N N 167 121.655 121.655 119.820 1.835 19425 5830 1 7 . 1 1 167 167 LYS C C 167 175.241 175.241 176.126 -0.885 19425 5831 1 7 . 1 1 167 167 LYS CA C 167 55.297 55.297 57.231 -1.934 19425 5832 1 7 . 1 1 167 167 LYS CB C 167 31.364 31.364 32.188 -0.824 19425 5833 1 7 . 1 1 167 167 LYS H H 167 8.230 8.230 8.589 -0.359 19425 5834 1 7 . 1 1 168 168 GLN N N 168 117.832 117.832 116.827 1.005 19425 5835 1 7 . 1 1 168 168 GLN C C 168 176.836 176.836 176.326 0.510 19425 5836 1 7 . 1 1 168 168 GLN CA C 168 57.366 57.366 56.173 1.193 19425 5837 1 7 . 1 1 168 168 GLN CB C 168 28.979 28.979 28.921 0.058 19425 5838 1 7 . 1 1 168 168 GLN H H 168 8.134 8.134 8.192 -0.058 19425 5839 1 7 . 1 1 169 169 ARG N N 169 117.052 117.052 119.799 -2.747 19425 5840 1 7 . 1 1 169 169 ARG C C 169 175.946 175.946 175.292 0.654 19425 5841 1 7 . 1 1 169 169 ARG CA C 169 52.885 52.885 54.642 -1.757 19425 5842 1 7 . 1 1 169 169 ARG CB C 169 32.795 32.795 31.043 1.752 19425 5843 1 7 . 1 1 169 169 ARG H H 169 7.209 7.209 7.479 -0.270 19425 5844 1 7 . 1 1 170 170 SER N N 170 114.335 114.335 114.582 -0.247 19425 5845 1 7 . 1 1 170 170 SER C C 170 174.387 174.387 173.323 1.064 19425 5846 1 7 . 1 1 170 170 SER CA C 170 56.976 56.976 56.766 0.210 19425 5847 1 7 . 1 1 170 170 SER CB C 170 66.348 66.348 66.790 -0.442 19425 5848 1 7 . 1 1 170 170 SER H H 170 8.279 8.279 8.440 -0.161 19425 5849 1 7 . 1 1 171 171 GLU N N 171 121.428 121.428 120.432 0.996 19425 5850 1 7 . 1 1 171 171 GLU C C 171 173.293 173.293 177.549 -4.256 19425 5851 1 7 . 1 1 171 171 GLU CA C 171 58.658 58.658 56.802 1.856 19425 5852 1 7 . 1 1 171 171 GLU CB C 171 28.693 28.693 28.744 -0.051 19425 5853 1 7 . 1 1 171 171 GLU H H 171 8.540 8.540 8.583 -0.043 19425 5854 1 7 . 1 1 172 172 GLY N N 172 113.162 113.162 114.419 -1.257 19425 5855 1 7 . 1 1 172 172 GLY C C 172 177.504 177.504 174.524 2.980 19425 5856 1 7 . 1 1 172 172 GLY CA C 172 45.452 45.452 44.952 0.500 19425 5857 1 7 . 1 1 172 172 GLY H H 172 8.676 8.676 9.074 -0.398 19425 5858 1 7 . 1 1 173 173 GLU N N 173 119.545 119.545 121.258 -1.713 19425 5859 1 7 . 1 1 173 173 GLU C C 173 173.311 173.311 176.077 -2.766 19425 5860 1 7 . 1 1 173 173 GLU CA C 173 55.689 55.689 56.471 -0.782 19425 5861 1 7 . 1 1 173 173 GLU CB C 173 31.204 31.204 30.896 0.308 19425 5862 1 7 . 1 1 173 173 GLU H H 173 7.805 7.805 7.863 -0.058 19425 5863 1 7 . 1 1 174 174 LYS N N 174 120.834 120.834 121.362 -0.528 19425 5864 1 7 . 1 1 174 174 LYS C C 174 175.352 175.352 176.788 -1.436 19425 5865 1 7 . 1 1 174 174 LYS CA C 174 57.207 57.207 56.952 0.255 19425 5866 1 7 . 1 1 174 174 LYS CB C 174 34.185 34.185 32.693 1.492 19425 5867 1 7 . 1 1 174 174 LYS H H 174 8.215 8.215 8.416 -0.201 19425 5868 1 7 . 1 1 175 175 VAL N N 175 122.529 122.529 124.713 -2.184 19425 5869 1 7 . 1 1 175 175 VAL C C 175 176.595 176.595 175.493 1.102 19425 5870 1 7 . 1 1 175 175 VAL CA C 175 63.046 63.046 61.831 1.215 19425 5871 1 7 . 1 1 175 175 VAL CB C 175 31.265 31.265 31.716 -0.451 19425 5872 1 7 . 1 1 175 175 VAL H H 175 7.914 7.914 8.643 -0.729 19425 5873 1 7 . 1 1 176 176 ARG N N 176 127.622 127.622 127.516 0.106 19425 5874 1 7 . 1 1 176 176 ARG C C 176 175.742 175.742 176.853 -1.111 19425 5875 1 7 . 1 1 176 176 ARG CA C 176 55.767 55.767 55.165 0.602 19425 5876 1 7 . 1 1 176 176 ARG CB C 176 30.480 30.480 31.253 -0.773 19425 5877 1 7 . 1 1 176 176 ARG H H 176 7.570 7.570 8.400 -0.830 19425 5878 1 7 . 1 1 177 177 VAL N N 177 122.521 122.521 122.731 -0.210 19425 5879 1 7 . 1 1 177 177 VAL C C 177 177.523 177.523 177.294 0.229 19425 5880 1 7 . 1 1 177 177 VAL CA C 177 65.322 65.322 63.937 1.385 19425 5881 1 7 . 1 1 177 177 VAL CB C 177 31.431 31.431 30.518 0.913 19425 5882 1 7 . 1 1 177 177 VAL H H 177 8.276 8.276 8.141 0.135 19425 5883 1 7 . 1 1 179 179 ASP N N 179 122.577 122.577 123.501 -0.924 19425 5884 1 7 . 1 1 179 179 ASP C C 179 174.554 174.554 175.831 -1.277 19425 5885 1 7 . 1 1 179 179 ASP CA C 179 54.687 54.687 54.908 -0.221 19425 5886 1 7 . 1 1 179 179 ASP CB C 179 40.417 40.417 41.137 -0.720 19425 5887 1 7 . 1 1 179 179 ASP H H 179 7.848 7.848 7.882 -0.034 19425 5888 1 7 . 1 1 180 180 ASP N N 180 121.916 121.916 124.173 -2.257 19425 5889 1 7 . 1 1 180 180 ASP C C 180 174.610 174.610 175.857 -1.247 19425 5890 1 7 . 1 1 180 180 ASP CA C 180 54.379 54.379 54.888 -0.509 19425 5891 1 7 . 1 1 180 180 ASP CB C 180 42.178 42.178 40.786 1.392 19425 5892 1 7 . 1 1 180 180 ASP H H 180 8.521 8.521 8.517 0.004 19425 5893 1 7 . 1 1 181 181 LEU N N 181 121.499 121.499 123.743 -2.244 19425 5894 1 7 . 1 1 181 181 LEU C C 181 175.166 175.166 176.723 -1.557 19425 5895 1 7 . 1 1 181 181 LEU CA C 181 54.379 54.379 53.758 0.621 19425 5896 1 7 . 1 1 181 181 LEU CB C 181 45.395 45.395 44.379 1.016 19425 5897 1 7 . 1 1 181 181 LEU H H 181 9.782 9.782 9.059 0.723 19425 5898 1 7 . 1 1 185 185 SER N N 185 122.939 122.939 121.503 1.436 19425 5899 1 7 . 1 1 185 185 SER C C 185 175.871 175.871 175.296 0.575 19425 5900 1 7 . 1 1 185 185 SER CA C 185 57.514 57.514 58.657 -1.143 19425 5901 1 7 . 1 1 185 185 SER CB C 185 62.772 62.772 63.599 -0.827 19425 5902 1 7 . 1 1 185 185 SER H H 185 9.183 9.183 8.723 0.460 19425 5903 1 7 . 1 1 186 186 VAL N N 186 131.799 131.799 128.563 3.236 19425 5904 1 7 . 1 1 186 186 VAL C C 186 177.226 177.226 177.250 -0.024 19425 5905 1 7 . 1 1 186 186 VAL CA C 186 65.883 65.883 65.469 0.414 19425 5906 1 7 . 1 1 186 186 VAL CB C 186 31.190 31.190 31.822 -0.632 19425 5907 1 7 . 1 1 186 186 VAL H H 186 8.285 8.285 8.413 -0.128 19425 5908 1 7 . 1 1 187 187 SER N N 187 110.228 110.228 114.669 -4.441 19425 5909 1 7 . 1 1 187 187 SER C C 187 177.077 177.077 175.425 1.652 19425 5910 1 7 . 1 1 187 187 SER CA C 187 60.200 60.200 60.230 -0.030 19425 5911 1 7 . 1 1 187 187 SER CB C 187 62.264 62.264 63.731 -1.467 19425 5912 1 7 . 1 1 187 187 SER H H 187 7.000 7.000 8.020 -1.020 19425 5913 1 7 . 1 1 188 188 SER N N 188 115.022 115.022 114.864 0.158 19425 5914 1 7 . 1 1 188 188 SER C C 188 176.632 176.632 172.908 3.724 19425 5915 1 7 . 1 1 188 188 SER CA C 188 58.889 58.889 58.572 0.317 19425 5916 1 7 . 1 1 188 188 SER CB C 188 66.818 66.818 64.897 1.921 19425 5917 1 7 . 1 1 188 188 SER H H 188 7.886 7.886 7.515 0.371 19425 5918 1 7 . 1 1 189 189 GLU N N 189 118.477 118.477 118.804 -0.327 19425 5919 1 7 . 1 1 189 189 GLU C C 189 175.000 175.000 174.328 0.672 19425 5920 1 7 . 1 1 189 189 GLU CA C 189 58.562 58.562 57.924 0.638 19425 5921 1 7 . 1 1 189 189 GLU CB C 189 27.420 27.420 27.633 -0.213 19425 5922 1 7 . 1 1 189 189 GLU H H 189 7.929 7.929 8.190 -0.261 19425 5923 1 7 . 1 1 190 190 ARG N N 190 116.828 116.828 116.921 -0.093 19425 5924 1 7 . 1 1 190 190 ARG C C 190 173.868 173.868 175.956 -2.088 19425 5925 1 7 . 1 1 190 190 ARG CA C 190 54.238 54.238 54.459 -0.221 19425 5926 1 7 . 1 1 190 190 ARG CB C 190 32.141 32.141 32.971 -0.830 19425 5927 1 7 . 1 1 190 190 ARG H H 190 6.723 6.723 7.291 -0.568 19425 5928 1 7 . 1 1 191 191 TYR N N 191 118.733 118.733 121.453 -2.720 19425 5929 1 7 . 1 1 191 191 TYR C C 191 174.368 174.368 177.378 -3.010 19425 5930 1 7 . 1 1 191 191 TYR CA C 191 57.405 57.405 58.760 -1.355 19425 5931 1 7 . 1 1 191 191 TYR CB C 191 39.444 39.444 39.425 0.019 19425 5932 1 7 . 1 1 191 191 TYR H H 191 8.912 8.912 8.969 -0.057 19425 5933 1 7 . 1 1 192 192 LEU N N 192 123.460 123.460 124.560 -1.100 19425 5934 1 7 . 1 1 192 192 LEU C C 192 176.753 176.753 176.122 0.631 19425 5935 1 7 . 1 1 192 192 LEU CA C 192 57.061 57.061 54.201 2.860 19425 5936 1 7 . 1 1 192 192 LEU CB C 192 41.351 41.351 40.577 0.774 19425 5937 1 7 . 1 1 192 192 LEU H H 192 8.836 8.836 8.897 -0.061 19425 5938 1 7 . 1 1 193 193 HIS N N 193 134.195 134.195 125.149 9.046 19425 5939 1 7 . 1 1 193 193 HIS C C 193 178.766 178.766 174.447 4.319 19425 5940 1 7 . 1 1 193 193 HIS CA C 193 56.349 56.349 56.160 0.189 19425 5941 1 7 . 1 1 193 193 HIS CB C 193 31.613 31.613 31.763 -0.150 19425 5942 1 7 . 1 1 193 193 HIS H H 193 10.227 10.227 8.923 1.304 19425 5943 1 7 . 1 1 194 194 LEU N N 194 128.500 128.500 127.005 1.495 19425 5944 1 7 . 1 1 194 194 LEU C C 194 170.268 170.268 175.290 -5.022 19425 5945 1 7 . 1 1 194 194 LEU CA C 194 54.139 54.139 54.075 0.064 19425 5946 1 7 . 1 1 194 194 LEU CB C 194 44.036 44.036 43.320 0.716 19425 5947 1 7 . 1 1 194 194 LEU H H 194 7.784 7.784 7.776 0.008 19425 5948 1 7 . 1 1 195 195 SER N N 195 122.195 122.195 122.595 -0.400 19425 5949 1 7 . 1 1 195 195 SER C C 195 174.740 174.740 173.205 1.535 19425 5950 1 7 . 1 1 195 195 SER CA C 195 56.814 56.814 56.783 0.031 19425 5951 1 7 . 1 1 195 195 SER CB C 195 66.260 66.260 65.864 0.396 19425 5952 1 7 . 1 1 195 195 SER H H 195 9.042 9.042 8.984 0.058 19425 5953 1 7 . 1 1 196 196 TYR N N 196 124.809 124.809 127.798 -2.989 19425 5954 1 7 . 1 1 196 196 TYR C C 196 172.439 172.439 175.522 -3.083 19425 5955 1 7 . 1 1 196 196 TYR CA C 196 57.019 57.019 56.545 0.473 19425 5956 1 7 . 1 1 196 196 TYR CB C 196 39.817 39.817 38.601 1.216 19425 5957 1 7 . 1 1 196 196 TYR H H 196 8.657 8.657 8.826 -0.169 19425 5958 1 7 . 1 1 197 197 GLY N N 197 114.111 114.111 115.025 -0.914 19425 5959 1 7 . 1 1 197 197 GLY C C 197 176.113 176.113 173.278 2.835 19425 5960 1 7 . 1 1 197 197 GLY CA C 197 45.492 45.492 44.019 1.474 19425 5961 1 7 . 1 1 197 197 GLY H H 197 8.030 8.030 8.223 -0.193 19425 5962 1 7 . 1 1 200 200 SER N N 200 113.158 113.158 115.655 -2.497 19425 5963 1 7 . 1 1 200 200 SER C C 200 172.661 172.661 171.797 0.864 19425 5964 1 7 . 1 1 200 200 SER CA C 200 56.890 56.890 57.049 -0.159 19425 5965 1 7 . 1 1 200 200 SER CB C 200 65.522 65.522 65.982 -0.460 19425 5966 1 7 . 1 1 200 200 SER H H 200 6.893 6.893 7.403 -0.510 19425 5967 1 7 . 1 1 201 201 TRP N N 201 122.521 122.521 120.068 2.453 19425 5968 1 7 . 1 1 201 201 TRP C C 201 171.813 171.813 175.928 -4.115 19425 5969 1 7 . 1 1 201 201 TRP CA C 201 56.990 56.990 56.304 0.686 19425 5970 1 7 . 1 1 201 201 TRP CB C 201 31.501 31.501 31.738 -0.238 19425 5971 1 7 . 1 1 201 201 TRP H H 201 8.243 8.243 8.308 -0.065 19425 5972 1 7 . 1 1 202 202 HIS N N 202 121.171 121.171 118.523 2.648 19425 5973 1 7 . 1 1 202 202 HIS C C 202 173.805 173.805 173.640 0.165 19425 5974 1 7 . 1 1 202 202 HIS CA C 202 55.169 55.169 54.600 0.569 19425 5975 1 7 . 1 1 202 202 HIS CB C 202 32.254 32.254 34.530 -2.276 19425 5976 1 7 . 1 1 202 202 HIS H H 202 9.383 9.383 9.416 -0.033 19425 5977 1 7 . 1 1 203 203 VAL N N 203 119.943 119.943 120.615 -0.672 19425 5978 1 7 . 1 1 203 203 VAL C C 203 172.439 172.439 174.170 -1.731 19425 5979 1 7 . 1 1 203 203 VAL CA C 203 58.683 58.683 59.707 -1.024 19425 5980 1 7 . 1 1 203 203 VAL CB C 203 33.957 33.957 34.313 -0.356 19425 5981 1 7 . 1 1 203 203 VAL H H 203 8.649 8.649 8.857 -0.208 19425 5982 1 7 . 1 1 204 204 ASP N N 204 127.907 127.907 126.457 1.450 19425 5983 1 7 . 1 1 204 204 ASP C C 204 173.162 173.162 173.714 -0.552 19425 5984 1 7 . 1 1 204 204 ASP CA C 204 53.545 53.545 52.894 0.651 19425 5985 1 7 . 1 1 204 204 ASP CB C 204 42.169 42.169 44.330 -2.161 19425 5986 1 7 . 1 1 204 204 ASP H H 204 9.822 9.822 8.929 0.893 19425 5987 1 7 . 1 1 205 205 ALA N N 205 121.047 121.047 121.122 -0.075 19425 5988 1 7 . 1 1 205 205 ALA C C 205 172.754 172.754 176.219 -3.465 19425 5989 1 7 . 1 1 205 205 ALA CA C 205 50.147 50.147 50.573 -0.426 19425 5990 1 7 . 1 1 205 205 ALA CB C 205 19.642 19.642 19.421 0.221 19425 5991 1 7 . 1 1 205 205 ALA H H 205 9.176 9.176 8.426 0.750 19425 5992 1 7 . 1 1 206 206 ALA N N 206 127.318 127.318 126.137 1.181 19425 5993 1 7 . 1 1 206 206 ALA C C 206 176.465 176.465 175.941 0.524 19425 5994 1 7 . 1 1 206 206 ALA CA C 206 50.609 50.609 50.278 0.332 19425 5995 1 7 . 1 1 206 206 ALA CB C 206 23.819 23.819 21.803 2.016 19425 5996 1 7 . 1 1 206 206 ALA H H 206 9.088 9.088 8.002 1.086 19425 5997 1 7 . 1 1 207 207 PHE N N 207 117.878 117.878 117.155 0.723 19425 5998 1 7 . 1 1 207 207 PHE C C 207 176.576 176.576 175.749 0.827 19425 5999 1 7 . 1 1 207 207 PHE CA C 207 59.714 59.714 58.857 0.857 19425 6000 1 7 . 1 1 207 207 PHE CB C 207 38.239 38.239 38.648 -0.409 19425 6001 1 7 . 1 1 207 207 PHE H H 207 8.953 8.953 8.420 0.533 19425 6002 1 7 . 1 1 208 208 GLN N N 208 117.531 117.531 117.113 0.418 19425 6003 1 7 . 1 1 208 208 GLN C C 208 175.166 175.166 175.332 -0.166 19425 6004 1 7 . 1 1 208 208 GLN CA C 208 55.096 55.096 54.015 1.081 19425 6005 1 7 . 1 1 208 208 GLN CB C 208 30.437 30.437 30.672 -0.235 19425 6006 1 7 . 1 1 208 208 GLN H H 208 6.613 6.613 7.713 -1.100 19425 6007 1 7 . 1 1 209 209 GLN N N 209 117.318 117.318 122.420 -5.102 19425 6008 1 7 . 1 1 209 209 GLN C C 209 173.162 173.162 175.602 -2.440 19425 6009 1 7 . 1 1 209 209 GLN CA C 209 56.217 56.217 56.693 -0.476 19425 6010 1 7 . 1 1 209 209 GLN CB C 209 29.912 29.912 29.456 0.457 19425 6011 1 7 . 1 1 209 209 GLN H H 209 8.108 8.108 8.351 -0.243 19425 6012 1 7 . 1 1 210 210 THR N N 210 116.616 116.616 113.986 2.630 19425 6013 1 7 . 1 1 210 210 THR C C 210 176.150 176.150 172.696 3.454 19425 6014 1 7 . 1 1 210 210 THR CA C 210 62.848 62.848 61.870 0.978 19425 6015 1 7 . 1 1 210 210 THR CB C 210 73.244 73.244 70.612 2.632 19425 6016 1 7 . 1 1 210 210 THR H H 210 6.641 6.641 8.260 -1.619 19425 6017 1 7 . 1 1 211 211 LEU N N 211 126.776 126.776 126.822 -0.046 19425 6018 1 7 . 1 1 211 211 LEU C C 211 171.418 171.418 175.565 -4.147 19425 6019 1 7 . 1 1 211 211 LEU CA C 211 55.012 55.012 54.706 0.306 19425 6020 1 7 . 1 1 211 211 LEU CB C 211 41.627 41.627 42.209 -0.582 19425 6021 1 7 . 1 1 211 211 LEU H H 211 8.418 8.418 8.457 -0.039 19425 6022 1 7 . 1 1 212 212 TRP N N 212 124.678 124.678 124.464 0.214 19425 6023 1 7 . 1 1 212 212 TRP C C 212 175.742 175.742 175.824 -0.082 19425 6024 1 7 . 1 1 212 212 TRP CA C 212 56.052 56.052 55.685 0.367 19425 6025 1 7 . 1 1 212 212 TRP CB C 212 31.169 31.169 32.966 -1.797 19425 6026 1 7 . 1 1 212 212 TRP H H 212 9.462 9.462 9.142 0.320 19425 6027 1 7 . 1 1 213 213 SER N N 213 118.197 118.197 117.509 0.688 19425 6028 1 7 . 1 1 213 213 SER C C 213 175.575 175.575 173.804 1.771 19425 6029 1 7 . 1 1 213 213 SER CA C 213 57.141 57.141 56.685 0.455 19425 6030 1 7 . 1 1 213 213 SER CB C 213 64.800 64.800 63.783 1.017 19425 6031 1 7 . 1 1 213 213 SER H H 213 9.642 9.642 9.364 0.278 19425 6032 1 7 . 1 1 214 214 VAL N N 214 125.581 125.581 129.619 -4.038 19425 6033 1 7 . 1 1 214 214 VAL C C 214 174.183 174.183 174.768 -0.585 19425 6034 1 7 . 1 1 214 214 VAL CA C 214 61.398 61.398 62.203 -0.805 19425 6035 1 7 . 1 1 214 214 VAL CB C 214 32.502 32.502 31.710 0.791 19425 6036 1 7 . 1 1 214 214 VAL H H 214 8.433 8.433 8.651 -0.218 19425 6037 1 7 . 1 1 215 215 ALA N N 215 130.074 130.074 131.502 -1.428 19425 6038 1 7 . 1 1 215 215 ALA C C 215 174.647 174.647 174.293 0.354 19425 6039 1 7 . 1 1 215 215 ALA CA C 215 49.058 49.058 48.468 0.590 19425 6040 1 7 . 1 1 215 215 ALA CB C 215 20.299 20.299 20.443 -0.144 19425 6041 1 7 . 1 1 215 215 ALA H H 215 8.572 8.572 8.373 0.199 19425 6042 1 8 . 1 1 13 13 PHE N N 13 122.001 122.001 120.539 1.462 19425 6043 1 8 . 1 1 13 13 PHE C C 13 174.608 174.608 175.902 -1.294 19425 6044 1 8 . 1 1 13 13 PHE CA C 13 56.445 56.445 55.829 0.616 19425 6045 1 8 . 1 1 13 13 PHE CB C 13 41.650 41.650 41.938 -0.288 19425 6046 1 8 . 1 1 13 13 PHE H H 13 8.209 8.209 8.306 -0.097 19425 6047 1 8 . 1 1 14 14 LEU N N 14 122.475 122.475 123.441 -0.966 19425 6048 1 8 . 1 1 14 14 LEU C C 14 175.630 175.630 175.961 -0.331 19425 6049 1 8 . 1 1 14 14 LEU CA C 14 55.024 55.024 54.910 0.114 19425 6050 1 8 . 1 1 14 14 LEU CB C 14 43.987 43.987 41.976 2.011 19425 6051 1 8 . 1 1 14 14 LEU H H 14 8.264 8.264 8.983 -0.719 19425 6052 1 8 . 1 1 15 15 ARG N N 15 121.510 121.510 122.143 -0.633 19425 6053 1 8 . 1 1 15 15 ARG C C 15 175.630 175.630 177.232 -1.602 19425 6054 1 8 . 1 1 15 15 ARG CA C 15 54.007 54.007 52.355 1.652 19425 6055 1 8 . 1 1 15 15 ARG CB C 15 34.536 34.536 32.745 1.791 19425 6056 1 8 . 1 1 15 15 ARG H H 15 8.653 8.653 8.104 0.549 19425 6057 1 8 . 1 1 16 16 THR N N 16 110.840 110.840 114.024 -3.184 19425 6058 1 8 . 1 1 16 16 THR C C 16 175.946 175.946 175.285 0.661 19425 6059 1 8 . 1 1 16 16 THR CA C 16 62.950 62.950 63.112 -0.162 19425 6060 1 8 . 1 1 16 16 THR CB C 16 69.276 69.276 69.460 -0.184 19425 6061 1 8 . 1 1 16 16 THR H H 16 8.815 8.815 8.480 0.335 19425 6062 1 8 . 1 1 17 17 ASP N N 17 114.036 114.036 119.649 -5.613 19425 6063 1 8 . 1 1 17 17 ASP C C 17 175.686 175.686 175.390 0.296 19425 6064 1 8 . 1 1 17 17 ASP CA C 17 57.735 57.735 55.927 1.808 19425 6065 1 8 . 1 1 17 17 ASP CB C 17 39.928 39.928 40.498 -0.570 19425 6066 1 8 . 1 1 17 17 ASP H H 17 9.241 9.241 8.744 0.497 19425 6067 1 8 . 1 1 18 18 ASP N N 18 122.062 122.062 121.510 0.552 19425 6068 1 8 . 1 1 18 18 ASP C C 18 175.946 175.946 176.082 -0.136 19425 6069 1 8 . 1 1 18 18 ASP CA C 18 56.214 56.214 55.105 1.109 19425 6070 1 8 . 1 1 18 18 ASP CB C 18 40.985 40.985 41.375 -0.390 19425 6071 1 8 . 1 1 18 18 ASP H H 18 8.035 8.035 7.601 0.434 19425 6072 1 8 . 1 1 19 19 GLU N N 19 122.006 122.006 123.454 -1.448 19425 6073 1 8 . 1 1 19 19 GLU C C 19 175.055 175.055 176.277 -1.222 19425 6074 1 8 . 1 1 19 19 GLU CA C 19 55.262 55.262 56.704 -1.442 19425 6075 1 8 . 1 1 19 19 GLU CB C 19 30.712 30.712 30.395 0.317 19425 6076 1 8 . 1 1 19 19 GLU H H 19 8.274 8.274 8.563 -0.289 19425 6077 1 8 . 1 1 20 20 VAL N N 20 118.214 118.214 121.719 -3.505 19425 6078 1 8 . 1 1 20 20 VAL C C 20 176.855 176.855 173.775 3.080 19425 6079 1 8 . 1 1 20 20 VAL CA C 20 59.054 59.054 59.073 -0.019 19425 6080 1 8 . 1 1 20 20 VAL CB C 20 36.780 36.780 36.281 0.499 19425 6081 1 8 . 1 1 20 20 VAL H H 20 9.779 9.779 9.122 0.657 19425 6082 1 8 . 1 1 21 21 VAL N N 21 115.443 115.443 115.118 0.325 19425 6083 1 8 . 1 1 21 21 VAL C C 21 173.830 173.830 174.209 -0.379 19425 6084 1 8 . 1 1 21 21 VAL CA C 21 60.308 60.308 59.975 0.333 19425 6085 1 8 . 1 1 21 21 VAL CB C 21 34.625 34.625 35.368 -0.743 19425 6086 1 8 . 1 1 21 21 VAL H H 21 8.167 8.167 8.472 -0.305 19425 6087 1 8 . 1 1 22 22 LEU N N 22 128.072 128.072 127.550 0.522 19425 6088 1 8 . 1 1 22 22 LEU C C 22 174.858 174.858 176.030 -1.172 19425 6089 1 8 . 1 1 22 22 LEU CA C 22 55.656 55.656 54.208 1.448 19425 6090 1 8 . 1 1 22 22 LEU CB C 22 42.545 42.545 42.283 0.262 19425 6091 1 8 . 1 1 22 22 LEU H H 22 10.103 10.103 8.855 1.248 19425 6092 1 8 . 1 1 23 23 GLN N N 23 120.609 120.609 122.961 -2.352 19425 6093 1 8 . 1 1 23 23 GLN C C 23 175.500 175.500 174.761 0.739 19425 6094 1 8 . 1 1 23 23 GLN CA C 23 53.710 53.710 54.454 -0.744 19425 6095 1 8 . 1 1 23 23 GLN CB C 23 33.697 33.697 33.451 0.246 19425 6096 1 8 . 1 1 23 23 GLN H H 23 9.119 9.119 8.737 0.382 19425 6097 1 8 . 1 1 24 24 CYS N N 24 118.659 118.659 120.405 -1.746 19425 6098 1 8 . 1 1 24 24 CYS C C 24 174.443 174.443 173.078 1.365 19425 6099 1 8 . 1 1 24 24 CYS CA C 24 55.261 55.261 56.064 -0.803 19425 6100 1 8 . 1 1 24 24 CYS CB C 24 30.302 30.302 30.338 -0.036 19425 6101 1 8 . 1 1 24 24 CYS H H 24 8.993 8.993 9.127 -0.134 19425 6102 1 8 . 1 1 25 25 THR N N 25 116.266 116.266 123.177 -6.911 19425 6103 1 8 . 1 1 25 25 THR C C 25 172.457 172.457 173.490 -1.033 19425 6104 1 8 . 1 1 25 25 THR CA C 25 61.858 61.858 62.914 -1.056 19425 6105 1 8 . 1 1 25 25 THR CB C 25 70.271 70.271 68.813 1.458 19425 6106 1 8 . 1 1 25 25 THR H H 25 8.480 8.480 8.578 -0.098 19425 6107 1 8 . 1 1 26 26 ALA N N 26 129.739 129.739 131.035 -1.296 19425 6108 1 8 . 1 1 26 26 ALA C C 26 172.717 172.717 175.263 -2.546 19425 6109 1 8 . 1 1 26 26 ALA CA C 26 50.642 50.642 50.223 0.419 19425 6110 1 8 . 1 1 26 26 ALA CB C 26 21.315 21.315 19.936 1.379 19425 6111 1 8 . 1 1 26 26 ALA H H 26 8.590 8.590 8.669 -0.079 19425 6112 1 8 . 1 1 27 27 THR N N 27 116.574 116.574 118.757 -2.183 19425 6113 1 8 . 1 1 27 27 THR C C 27 173.181 173.181 173.757 -0.576 19425 6114 1 8 . 1 1 27 27 THR CA C 27 61.919 61.919 61.095 0.824 19425 6115 1 8 . 1 1 27 27 THR CB C 27 69.696 69.696 70.849 -1.153 19425 6116 1 8 . 1 1 27 27 THR H H 27 8.110 8.110 8.272 -0.162 19425 6117 1 8 . 1 1 28 28 ILE N N 28 126.342 126.342 124.928 1.414 19425 6118 1 8 . 1 1 28 28 ILE C C 28 173.793 173.793 174.583 -0.790 19425 6119 1 8 . 1 1 28 28 ILE CA C 28 60.407 60.407 61.322 -0.915 19425 6120 1 8 . 1 1 28 28 ILE CB C 28 39.536 39.536 40.416 -0.880 19425 6121 1 8 . 1 1 28 28 ILE H H 28 8.483 8.483 8.673 -0.190 19425 6122 1 8 . 1 1 29 29 HIS N N 29 126.364 126.364 124.580 1.784 19425 6123 1 8 . 1 1 29 29 HIS C C 29 175.259 175.259 174.181 1.078 19425 6124 1 8 . 1 1 29 29 HIS CA C 29 57.174 57.174 57.142 0.032 19425 6125 1 8 . 1 1 29 29 HIS CB C 29 28.029 28.029 28.259 -0.230 19425 6126 1 8 . 1 1 29 29 HIS H H 29 9.110 9.110 8.437 0.673 19425 6127 1 8 . 1 1 31 31 GLU N N 31 120.962 120.962 119.374 1.588 19425 6128 1 8 . 1 1 31 31 GLU C C 31 175.575 175.575 174.498 1.077 19425 6129 1 8 . 1 1 31 31 GLU CA C 31 55.394 55.394 55.329 0.065 19425 6130 1 8 . 1 1 31 31 GLU CB C 31 31.576 31.576 32.306 -0.730 19425 6131 1 8 . 1 1 31 31 GLU H H 31 8.047 8.047 7.742 0.305 19425 6132 1 8 . 1 1 32 32 GLN N N 32 123.171 123.171 127.045 -3.874 19425 6133 1 8 . 1 1 32 32 GLN C C 32 175.185 175.185 174.924 0.261 19425 6134 1 8 . 1 1 32 32 GLN CA C 32 54.496 54.496 54.402 0.094 19425 6135 1 8 . 1 1 32 32 GLN CB C 32 30.054 30.054 31.695 -1.641 19425 6136 1 8 . 1 1 32 32 GLN H H 32 8.646 8.646 8.702 -0.056 19425 6137 1 8 . 1 1 33 33 GLN N N 33 123.530 123.530 120.063 3.467 19425 6138 1 8 . 1 1 33 33 GLN C C 33 175.667 175.667 173.628 2.039 19425 6139 1 8 . 1 1 33 33 GLN CA C 33 54.616 54.616 54.203 0.413 19425 6140 1 8 . 1 1 33 33 GLN CB C 33 31.748 31.748 32.185 -0.437 19425 6141 1 8 . 1 1 33 33 GLN H H 33 8.839 8.839 8.657 0.182 19425 6142 1 8 . 1 1 34 34 LYS N N 34 124.601 124.601 120.799 3.802 19425 6143 1 8 . 1 1 34 34 LYS C C 34 173.812 173.812 174.914 -1.102 19425 6144 1 8 . 1 1 34 34 LYS CA C 34 55.755 55.755 55.201 0.554 19425 6145 1 8 . 1 1 34 34 LYS CB C 34 32.712 32.712 35.361 -2.649 19425 6146 1 8 . 1 1 34 34 LYS H H 34 8.589 8.589 8.559 0.030 19425 6147 1 8 . 1 1 35 35 LEU N N 35 126.071 126.071 122.923 3.148 19425 6148 1 8 . 1 1 35 35 LEU C C 35 175.445 175.445 175.474 -0.029 19425 6149 1 8 . 1 1 35 35 LEU CA C 35 53.347 53.347 52.974 0.373 19425 6150 1 8 . 1 1 35 35 LEU CB C 35 44.943 44.943 46.031 -1.088 19425 6151 1 8 . 1 1 35 35 LEU H H 35 8.794 8.794 8.438 0.356 19425 6152 1 8 . 1 1 36 36 CYS N N 36 118.373 118.373 121.724 -3.351 19425 6153 1 8 . 1 1 36 36 CYS C C 36 176.057 176.057 174.596 1.461 19425 6154 1 8 . 1 1 36 36 CYS CA C 36 57.174 57.174 56.704 0.470 19425 6155 1 8 . 1 1 36 36 CYS CB C 36 30.306 30.306 29.612 0.694 19425 6156 1 8 . 1 1 36 36 CYS H H 36 9.042 9.042 8.740 0.302 19425 6157 1 8 . 1 1 37 37 LEU N N 37 129.256 129.256 129.671 -0.415 19425 6158 1 8 . 1 1 37 37 LEU C C 37 174.090 174.090 174.982 -0.892 19425 6159 1 8 . 1 1 37 37 LEU CA C 37 56.349 56.349 55.578 0.771 19425 6160 1 8 . 1 1 37 37 LEU CB C 37 42.689 42.689 42.228 0.461 19425 6161 1 8 . 1 1 37 37 LEU H H 37 8.811 8.811 8.935 -0.124 19425 6162 1 8 . 1 1 38 38 ALA N N 38 127.229 127.229 128.529 -1.300 19425 6163 1 8 . 1 1 38 38 ALA C C 38 174.517 174.517 175.122 -0.605 19425 6164 1 8 . 1 1 38 38 ALA CA C 38 50.609 50.609 49.411 1.198 19425 6165 1 8 . 1 1 38 38 ALA CB C 38 24.141 24.141 22.290 1.851 19425 6166 1 8 . 1 1 38 38 ALA H H 38 8.879 8.879 8.615 0.264 19425 6167 1 8 . 1 1 39 39 ALA N N 39 117.076 117.076 120.043 -2.967 19425 6168 1 8 . 1 1 39 39 ALA C C 39 174.665 174.665 174.705 -0.040 19425 6169 1 8 . 1 1 39 39 ALA CA C 39 51.500 51.500 51.650 -0.150 19425 6170 1 8 . 1 1 39 39 ALA CB C 39 20.996 20.996 21.506 -0.510 19425 6171 1 8 . 1 1 39 39 ALA H H 39 6.837 6.837 7.665 -0.828 19425 6172 1 8 . 1 1 40 40 GLU N N 40 119.966 119.966 118.749 1.217 19425 6173 1 8 . 1 1 40 40 GLU C C 40 176.205 176.205 176.262 -0.057 19425 6174 1 8 . 1 1 40 40 GLU CA C 40 55.950 55.950 54.793 1.157 19425 6175 1 8 . 1 1 40 40 GLU CB C 40 31.836 31.836 32.253 -0.417 19425 6176 1 8 . 1 1 40 40 GLU H H 40 8.413 8.413 8.571 -0.158 19425 6177 1 8 . 1 1 41 41 GLY N N 41 108.646 108.646 108.483 0.163 19425 6178 1 8 . 1 1 41 41 GLY C C 41 176.892 176.892 173.842 3.050 19425 6179 1 8 . 1 1 41 41 GLY CA C 41 45.628 45.628 45.407 0.221 19425 6180 1 8 . 1 1 41 41 GLY H H 41 8.463 8.463 8.996 -0.533 19425 6181 1 8 . 1 1 43 43 GLY N N 43 109.557 109.557 110.347 -0.790 19425 6182 1 8 . 1 1 43 43 GLY C C 43 176.465 176.465 174.867 1.598 19425 6183 1 8 . 1 1 43 43 GLY CA C 43 45.397 45.397 45.504 -0.107 19425 6184 1 8 . 1 1 43 43 GLY H H 43 8.510 8.510 8.723 -0.213 19425 6185 1 8 . 1 1 44 44 ASN N N 44 116.850 116.850 122.509 -5.659 19425 6186 1 8 . 1 1 44 44 ASN C C 44 173.830 173.830 175.376 -1.546 19425 6187 1 8 . 1 1 44 44 ASN CA C 44 54.184 54.184 53.080 1.104 19425 6188 1 8 . 1 1 44 44 ASN CB C 44 38.252 38.252 38.042 0.210 19425 6189 1 8 . 1 1 44 44 ASN H H 44 8.028 8.028 8.685 -0.657 19425 6190 1 8 . 1 1 45 45 ARG N N 45 118.226 118.226 115.538 2.688 19425 6191 1 8 . 1 1 45 45 ARG C C 45 174.072 174.072 174.163 -0.091 19425 6192 1 8 . 1 1 45 45 ARG CA C 45 56.077 56.077 57.115 -1.038 19425 6193 1 8 . 1 1 45 45 ARG CB C 45 31.231 31.231 27.307 3.924 19425 6194 1 8 . 1 1 45 45 ARG H H 45 7.759 7.759 7.402 0.357 19425 6195 1 8 . 1 1 46 46 LEU N N 46 124.643 124.643 118.877 5.766 19425 6196 1 8 . 1 1 46 46 LEU C C 46 176.447 176.447 177.016 -0.569 19425 6197 1 8 . 1 1 46 46 LEU CA C 46 54.667 54.667 54.069 0.598 19425 6198 1 8 . 1 1 46 46 LEU CB C 46 42.605 42.605 43.049 -0.444 19425 6199 1 8 . 1 1 46 46 LEU H H 46 8.695 8.695 7.597 1.098 19425 6200 1 8 . 1 1 47 47 CYS N N 47 119.241 119.241 120.522 -1.281 19425 6201 1 8 . 1 1 47 47 CYS C C 47 176.651 176.651 175.017 1.634 19425 6202 1 8 . 1 1 47 47 CYS CA C 47 55.885 55.885 59.034 -3.149 19425 6203 1 8 . 1 1 47 47 CYS CB C 47 31.112 31.112 26.721 4.391 19425 6204 1 8 . 1 1 47 47 CYS H H 47 9.007 9.007 8.515 0.492 19425 6205 1 8 . 1 1 48 48 PHE N N 48 114.081 114.081 118.530 -4.449 19425 6206 1 8 . 1 1 48 48 PHE C C 48 170.342 170.342 173.029 -2.687 19425 6207 1 8 . 1 1 48 48 PHE CA C 48 57.405 57.405 55.830 1.575 19425 6208 1 8 . 1 1 48 48 PHE CB C 48 43.263 43.263 40.138 3.125 19425 6209 1 8 . 1 1 48 48 PHE H H 48 8.647 8.647 8.494 0.153 19425 6210 1 8 . 1 1 49 49 LEU N N 49 122.287 122.287 119.044 3.243 19425 6211 1 8 . 1 1 49 49 LEU C C 49 176.236 176.236 176.139 0.097 19425 6212 1 8 . 1 1 49 49 LEU CA C 49 53.285 53.285 53.786 -0.501 19425 6213 1 8 . 1 1 49 49 LEU CB C 49 42.907 42.907 45.658 -2.751 19425 6214 1 8 . 1 1 49 49 LEU H H 49 9.108 9.108 8.848 0.260 19425 6215 1 8 . 1 1 50 50 GLU N N 50 123.206 123.206 122.043 1.163 19425 6216 1 8 . 1 1 50 50 GLU C C 50 177.671 177.671 175.522 2.149 19425 6217 1 8 . 1 1 50 50 GLU CA C 50 57.084 57.084 54.565 2.519 19425 6218 1 8 . 1 1 50 50 GLU CB C 50 30.123 30.123 33.113 -2.990 19425 6219 1 8 . 1 1 50 50 GLU H H 50 8.834 8.834 8.649 0.185 19425 6220 1 8 . 1 1 51 51 SER N N 51 118.500 118.500 121.276 -2.776 19425 6221 1 8 . 1 1 51 51 SER C C 51 176.706 176.706 174.894 1.812 19425 6222 1 8 . 1 1 51 51 SER CA C 51 58.560 58.560 57.982 0.578 19425 6223 1 8 . 1 1 51 51 SER CB C 51 63.979 63.979 63.930 0.049 19425 6224 1 8 . 1 1 51 51 SER H H 51 8.461 8.461 8.898 -0.437 19425 6225 1 8 . 1 1 52 52 THR N N 52 116.205 116.205 115.452 0.753 19425 6226 1 8 . 1 1 52 52 THR C C 52 174.808 174.808 175.952 -1.144 19425 6227 1 8 . 1 1 52 52 THR CA C 52 61.891 61.891 60.233 1.658 19425 6228 1 8 . 1 1 52 52 THR CB C 52 70.076 70.076 70.549 -0.473 19425 6229 1 8 . 1 1 52 52 THR H H 52 8.199 8.199 8.221 -0.022 19425 6230 1 8 . 1 1 65 65 CYS N N 65 117.553 117.553 120.092 -2.539 19425 6231 1 8 . 1 1 65 65 CYS C C 65 176.948 176.948 174.162 2.786 19425 6232 1 8 . 1 1 65 65 CYS CA C 65 57.900 57.900 56.253 1.647 19425 6233 1 8 . 1 1 65 65 CYS CB C 65 30.290 30.290 26.902 3.388 19425 6234 1 8 . 1 1 65 65 CYS H H 65 7.539 7.539 7.742 -0.203 19425 6235 1 8 . 1 1 66 66 THR N N 66 113.614 113.614 119.256 -5.642 19425 6236 1 8 . 1 1 66 66 THR C C 66 180.325 180.325 173.363 6.962 19425 6237 1 8 . 1 1 66 66 THR CA C 66 63.399 63.399 64.110 -0.711 19425 6238 1 8 . 1 1 66 66 THR CB C 66 69.281 69.281 69.033 0.248 19425 6239 1 8 . 1 1 66 66 THR H H 66 6.851 6.851 7.193 -0.342 19425 6240 1 8 . 1 1 67 67 PHE N N 67 126.248 126.248 125.293 0.955 19425 6241 1 8 . 1 1 67 67 PHE C C 67 174.424 174.424 173.959 0.465 19425 6242 1 8 . 1 1 67 67 PHE CA C 67 56.184 56.184 56.834 -0.650 19425 6243 1 8 . 1 1 67 67 PHE CB C 67 43.291 43.291 44.223 -0.932 19425 6244 1 8 . 1 1 67 67 PHE H H 67 9.603 9.603 9.376 0.227 19425 6245 1 8 . 1 1 68 68 VAL N N 68 121.310 121.310 119.055 2.255 19425 6246 1 8 . 1 1 68 68 VAL C C 68 173.719 173.719 175.595 -1.876 19425 6247 1 8 . 1 1 68 68 VAL CA C 68 60.935 60.935 60.707 0.228 19425 6248 1 8 . 1 1 68 68 VAL CB C 68 34.522 34.522 34.057 0.465 19425 6249 1 8 . 1 1 68 68 VAL H H 68 9.968 9.968 8.674 1.294 19425 6250 1 8 . 1 1 69 69 LEU N N 69 127.011 127.011 128.699 -1.688 19425 6251 1 8 . 1 1 69 69 LEU C C 69 177.152 177.152 178.115 -0.963 19425 6252 1 8 . 1 1 69 69 LEU CA C 69 53.083 53.083 54.417 -1.334 19425 6253 1 8 . 1 1 69 69 LEU CB C 69 39.652 39.652 39.339 0.313 19425 6254 1 8 . 1 1 69 69 LEU H H 69 8.135 8.135 8.625 -0.490 19425 6255 1 8 . 1 1 70 70 GLU N N 70 129.683 129.683 121.460 8.223 19425 6256 1 8 . 1 1 70 70 GLU C C 70 174.869 174.869 176.810 -1.941 19425 6257 1 8 . 1 1 70 70 GLU CA C 70 59.747 59.747 59.151 0.596 19425 6258 1 8 . 1 1 70 70 GLU CB C 70 31.291 31.291 29.895 1.396 19425 6259 1 8 . 1 1 70 70 GLU H H 70 8.654 8.654 8.361 0.293 19425 6260 1 8 . 1 1 71 71 GLN N N 71 110.287 110.287 117.030 -6.743 19425 6261 1 8 . 1 1 71 71 GLN C C 71 176.094 176.094 174.877 1.217 19425 6262 1 8 . 1 1 71 71 GLN CA C 71 54.030 54.030 54.469 -0.439 19425 6263 1 8 . 1 1 71 71 GLN CB C 71 33.112 33.112 33.120 -0.008 19425 6264 1 8 . 1 1 71 71 GLN H H 71 7.318 7.318 7.661 -0.343 19425 6265 1 8 . 1 1 72 72 SER N N 72 116.205 116.205 116.547 -0.342 19425 6266 1 8 . 1 1 72 72 SER C C 72 174.035 174.035 173.322 0.713 19425 6267 1 8 . 1 1 72 72 SER CA C 72 58.132 58.132 58.326 -0.194 19425 6268 1 8 . 1 1 72 72 SER CB C 72 64.295 64.295 63.967 0.328 19425 6269 1 8 . 1 1 72 72 SER H H 72 8.380 8.380 8.674 -0.294 19425 6270 1 8 . 1 1 73 73 LEU N N 73 127.858 127.858 123.644 4.214 19425 6271 1 8 . 1 1 73 73 LEU C C 73 173.701 173.701 175.946 -2.245 19425 6272 1 8 . 1 1 73 73 LEU CA C 73 53.347 53.347 53.041 0.306 19425 6273 1 8 . 1 1 73 73 LEU CB C 73 45.926 45.926 44.861 1.065 19425 6274 1 8 . 1 1 73 73 LEU H H 73 9.532 9.532 8.792 0.740 19425 6275 1 8 . 1 1 74 74 SER N N 74 115.724 115.724 114.400 1.324 19425 6276 1 8 . 1 1 74 74 SER C C 74 177.541 177.541 175.851 1.690 19425 6277 1 8 . 1 1 74 74 SER CA C 74 57.905 57.905 57.699 0.206 19425 6278 1 8 . 1 1 74 74 SER CB C 74 63.901 63.901 63.452 0.449 19425 6279 1 8 . 1 1 74 74 SER H H 74 8.240 8.240 8.032 0.208 19425 6280 1 8 . 1 1 75 75 VAL N N 75 122.994 122.994 124.521 -1.527 19425 6281 1 8 . 1 1 75 75 VAL C C 75 174.610 174.610 177.527 -2.917 19425 6282 1 8 . 1 1 75 75 VAL CA C 75 67.104 67.104 67.368 -0.265 19425 6283 1 8 . 1 1 75 75 VAL CB C 75 30.953 30.953 31.351 -0.398 19425 6284 1 8 . 1 1 75 75 VAL H H 75 9.056 9.056 8.597 0.459 19425 6285 1 8 . 1 1 76 76 ARG N N 76 119.193 119.193 119.323 -0.130 19425 6286 1 8 . 1 1 76 76 ARG C C 76 178.228 178.228 177.745 0.483 19425 6287 1 8 . 1 1 76 76 ARG CA C 76 59.087 59.087 59.359 -0.272 19425 6288 1 8 . 1 1 76 76 ARG CB C 76 29.280 29.280 29.649 -0.369 19425 6289 1 8 . 1 1 76 76 ARG H H 76 8.137 8.137 7.958 0.179 19425 6290 1 8 . 1 1 77 77 ALA N N 77 122.977 122.977 121.944 1.033 19425 6291 1 8 . 1 1 77 77 ALA C C 77 178.506 178.506 179.590 -1.084 19425 6292 1 8 . 1 1 77 77 ALA CA C 77 54.926 54.926 54.732 0.194 19425 6293 1 8 . 1 1 77 77 ALA CB C 77 18.231 18.231 18.330 -0.099 19425 6294 1 8 . 1 1 77 77 ALA H H 77 7.699 7.699 7.539 0.160 19425 6295 1 8 . 1 1 78 78 LEU N N 78 121.115 121.115 120.257 0.858 19425 6296 1 8 . 1 1 78 78 LEU C C 78 180.640 180.640 178.382 2.258 19425 6297 1 8 . 1 1 78 78 LEU CA C 78 57.985 57.985 57.327 0.658 19425 6298 1 8 . 1 1 78 78 LEU CB C 78 40.522 40.522 41.266 -0.744 19425 6299 1 8 . 1 1 78 78 LEU H H 78 8.303 8.303 8.262 0.041 19425 6300 1 8 . 1 1 79 79 GLN N N 79 116.873 116.873 117.368 -0.495 19425 6301 1 8 . 1 1 79 79 GLN C C 79 177.875 177.875 178.346 -0.471 19425 6302 1 8 . 1 1 79 79 GLN CA C 79 59.069 59.069 59.135 -0.066 19425 6303 1 8 . 1 1 79 79 GLN CB C 79 27.254 27.254 28.355 -1.101 19425 6304 1 8 . 1 1 79 79 GLN H H 79 8.390 8.390 8.219 0.172 19425 6305 1 8 . 1 1 80 80 GLU N N 80 120.455 120.455 120.848 -0.393 19425 6306 1 8 . 1 1 80 80 GLU C C 80 179.749 179.749 178.859 0.890 19425 6307 1 8 . 1 1 80 80 GLU CA C 80 59.413 59.413 59.293 0.120 19425 6308 1 8 . 1 1 80 80 GLU CB C 80 29.142 29.142 29.453 -0.311 19425 6309 1 8 . 1 1 80 80 GLU H H 80 7.942 7.942 7.861 0.081 19425 6310 1 8 . 1 1 81 81 MET N N 81 120.541 120.541 118.314 2.227 19425 6311 1 8 . 1 1 81 81 MET C C 81 178.599 178.599 179.000 -0.401 19425 6312 1 8 . 1 1 81 81 MET CA C 81 59.665 59.665 59.261 0.404 19425 6313 1 8 . 1 1 81 81 MET CB C 81 32.534 32.534 32.875 -0.341 19425 6314 1 8 . 1 1 81 81 MET H H 81 7.870 7.870 8.004 -0.134 19425 6315 1 8 . 1 1 82 82 LEU N N 82 119.662 119.662 118.199 1.463 19425 6316 1 8 . 1 1 82 82 LEU C C 82 179.638 179.638 178.856 0.782 19425 6317 1 8 . 1 1 82 82 LEU CA C 82 57.669 57.669 57.003 0.666 19425 6318 1 8 . 1 1 82 82 LEU CB C 82 40.783 40.783 41.609 -0.826 19425 6319 1 8 . 1 1 82 82 LEU H H 82 8.488 8.488 7.917 0.571 19425 6320 1 8 . 1 1 83 83 ALA N N 83 120.827 120.827 121.227 -0.400 19425 6321 1 8 . 1 1 83 83 ALA C C 83 179.323 179.323 179.009 0.314 19425 6322 1 8 . 1 1 83 83 ALA CA C 83 54.073 54.073 54.688 -0.614 19425 6323 1 8 . 1 1 83 83 ALA CB C 83 18.326 18.326 18.556 -0.230 19425 6324 1 8 . 1 1 83 83 ALA H H 83 7.704 7.704 8.097 -0.393 19425 6325 1 8 . 1 1 84 84 ASN N N 84 115.853 115.853 113.763 2.090 19425 6326 1 8 . 1 1 84 84 ASN C C 84 178.944 178.944 176.036 2.908 19425 6327 1 8 . 1 1 84 84 ASN CA C 84 54.167 54.167 55.063 -0.896 19425 6328 1 8 . 1 1 84 84 ASN CB C 84 39.465 39.465 38.886 0.579 19425 6329 1 8 . 1 1 84 84 ASN H H 84 7.729 7.729 8.000 -0.271 19425 6330 1 8 . 1 1 85 85 THR N N 85 112.611 112.611 109.756 2.855 19425 6331 1 8 . 1 1 85 85 THR C C 85 175.569 175.569 175.557 0.012 19425 6332 1 8 . 1 1 85 85 THR CA C 85 63.086 63.086 63.666 -0.580 19425 6333 1 8 . 1 1 85 85 THR CB C 85 70.071 70.071 68.973 1.098 19425 6334 1 8 . 1 1 85 85 THR H H 85 7.698 7.698 7.308 0.390 19425 6335 1 8 . 1 1 86 86 VAL N N 86 121.812 121.812 120.018 1.794 19425 6336 1 8 . 1 1 86 86 VAL C C 86 174.573 174.573 176.326 -1.753 19425 6337 1 8 . 1 1 86 86 VAL CA C 86 62.811 62.811 63.865 -1.054 19425 6338 1 8 . 1 1 86 86 VAL CB C 86 32.730 32.730 32.329 0.401 19425 6339 1 8 . 1 1 86 86 VAL H H 86 7.874 7.874 7.326 0.548 19425 6340 1 8 . 1 1 87 87 GLU N N 87 124.330 124.330 119.843 4.487 19425 6341 1 8 . 1 1 87 87 GLU C C 87 176.280 176.280 175.088 1.192 19425 6342 1 8 . 1 1 87 87 GLU CA C 87 56.877 56.877 55.520 1.357 19425 6343 1 8 . 1 1 87 87 GLU CB C 87 29.852 29.852 30.966 -1.114 19425 6344 1 8 . 1 1 87 87 GLU H H 87 8.403 8.403 7.627 0.776 19425 6345 1 8 . 1 1 88 88 LYS N N 88 122.065 122.065 124.603 -2.538 19425 6346 1 8 . 1 1 88 88 LYS C C 88 176.966 176.966 175.738 1.228 19425 6347 1 8 . 1 1 88 88 LYS CA C 88 56.799 56.799 56.808 -0.009 19425 6348 1 8 . 1 1 88 88 LYS CB C 88 32.597 32.597 32.800 -0.203 19425 6349 1 8 . 1 1 88 88 LYS H H 88 8.330 8.330 8.412 -0.082 19425 6350 1 8 . 1 1 89 89 SER N N 89 116.192 116.192 116.799 -0.607 19425 6351 1 8 . 1 1 89 89 SER C C 89 176.865 176.865 174.949 1.916 19425 6352 1 8 . 1 1 89 89 SER CA C 89 59.008 59.008 58.937 0.071 19425 6353 1 8 . 1 1 89 89 SER CB C 89 63.765 63.765 63.512 0.253 19425 6354 1 8 . 1 1 89 89 SER H H 89 8.247 8.247 8.705 -0.458 19425 6355 1 8 . 1 1 90 90 GLU N N 90 122.006 122.006 121.511 0.495 19425 6356 1 8 . 1 1 90 90 GLU C C 90 174.702 174.702 176.923 -2.221 19425 6357 1 8 . 1 1 90 90 GLU CA C 90 57.231 57.231 56.985 0.246 19425 6358 1 8 . 1 1 90 90 GLU CB C 90 29.442 29.442 29.814 -0.371 19425 6359 1 8 . 1 1 90 90 GLU H H 90 8.560 8.560 8.236 0.324 19425 6360 1 8 . 1 1 91 91 GLY N N 91 110.052 110.052 109.605 0.447 19425 6361 1 8 . 1 1 91 91 GLY C C 91 177.170 177.170 173.998 3.172 19425 6362 1 8 . 1 1 91 91 GLY CA C 91 45.634 45.634 45.558 0.076 19425 6363 1 8 . 1 1 91 91 GLY H H 91 8.358 8.358 8.389 -0.031 19425 6364 1 8 . 1 1 92 92 GLN N N 92 120.053 120.053 117.848 2.205 19425 6365 1 8 . 1 1 92 92 GLN C C 92 173.905 173.905 174.010 -0.105 19425 6366 1 8 . 1 1 92 92 GLN CA C 92 55.261 55.261 54.667 0.594 19425 6367 1 8 . 1 1 92 92 GLN CB C 92 29.573 29.573 30.760 -1.187 19425 6368 1 8 . 1 1 92 92 GLN H H 92 8.075 8.075 7.561 0.514 19425 6369 1 8 . 1 1 93 93 VAL N N 93 123.434 123.434 120.492 2.942 19425 6370 1 8 . 1 1 93 93 VAL C C 93 175.667 175.667 175.547 0.120 19425 6371 1 8 . 1 1 93 93 VAL CA C 93 62.914 62.914 62.329 0.585 19425 6372 1 8 . 1 1 93 93 VAL CB C 93 32.629 32.629 32.400 0.229 19425 6373 1 8 . 1 1 93 93 VAL H H 93 8.370 8.370 8.435 -0.065 19425 6374 1 8 . 1 1 94 94 ASP N N 94 125.761 125.761 121.064 4.697 19425 6375 1 8 . 1 1 94 94 ASP C C 94 175.704 175.704 175.521 0.183 19425 6376 1 8 . 1 1 94 94 ASP CA C 94 53.743 53.743 55.015 -1.272 19425 6377 1 8 . 1 1 94 94 ASP CB C 94 40.771 40.771 39.728 1.043 19425 6378 1 8 . 1 1 94 94 ASP H H 94 8.550 8.550 8.160 0.390 19425 6379 1 8 . 1 1 95 95 VAL N N 95 125.064 125.064 122.061 3.003 19425 6380 1 8 . 1 1 95 95 VAL C C 95 176.465 176.465 176.920 -0.455 19425 6381 1 8 . 1 1 95 95 VAL CA C 95 65.487 65.487 63.657 1.830 19425 6382 1 8 . 1 1 95 95 VAL CB C 95 31.773 31.773 31.825 -0.052 19425 6383 1 8 . 1 1 95 95 VAL H H 95 8.300 8.300 7.520 0.780 19425 6384 1 8 . 1 1 96 96 GLU N N 96 120.880 120.880 121.984 -1.104 19425 6385 1 8 . 1 1 96 96 GLU C C 96 177.523 177.523 177.775 -0.252 19425 6386 1 8 . 1 1 96 96 GLU CA C 96 59.157 59.157 58.625 0.532 19425 6387 1 8 . 1 1 96 96 GLU CB C 96 28.575 28.575 29.459 -0.884 19425 6388 1 8 . 1 1 96 96 GLU H H 96 8.297 8.297 8.637 -0.340 19425 6389 1 8 . 1 1 97 97 LYS N N 97 121.943 121.943 117.933 4.010 19425 6390 1 8 . 1 1 97 97 LYS C C 97 179.434 179.434 178.289 1.145 19425 6391 1 8 . 1 1 97 97 LYS CA C 97 59.186 59.186 58.083 1.103 19425 6392 1 8 . 1 1 97 97 LYS CB C 97 32.036 32.036 32.146 -0.110 19425 6393 1 8 . 1 1 97 97 LYS H H 97 7.979 7.979 8.118 -0.139 19425 6394 1 8 . 1 1 98 98 TRP N N 98 121.420 121.420 123.253 -1.833 19425 6395 1 8 . 1 1 98 98 TRP C C 98 178.673 178.673 177.947 0.726 19425 6396 1 8 . 1 1 98 98 TRP CA C 98 60.176 60.176 59.678 0.498 19425 6397 1 8 . 1 1 98 98 TRP CB C 98 29.340 29.340 29.452 -0.112 19425 6398 1 8 . 1 1 98 98 TRP H H 98 8.202 8.202 8.329 -0.127 19425 6399 1 8 . 1 1 99 99 LYS N N 99 118.236 118.236 118.298 -0.062 19425 6400 1 8 . 1 1 99 99 LYS C C 99 177.374 177.374 178.723 -1.349 19425 6401 1 8 . 1 1 99 99 LYS CA C 99 59.812 59.812 59.705 0.108 19425 6402 1 8 . 1 1 99 99 LYS CB C 99 32.042 32.042 31.845 0.198 19425 6403 1 8 . 1 1 99 99 LYS H H 99 8.346 8.346 8.531 -0.185 19425 6404 1 8 . 1 1 100 100 PHE N N 100 120.365 120.365 120.188 0.177 19425 6405 1 8 . 1 1 100 100 PHE C C 100 179.193 179.193 177.200 1.993 19425 6406 1 8 . 1 1 100 100 PHE CA C 100 60.902 60.902 61.616 -0.714 19425 6407 1 8 . 1 1 100 100 PHE CB C 100 38.875 38.875 39.222 -0.347 19425 6408 1 8 . 1 1 100 100 PHE H H 100 7.916 7.916 7.726 0.190 19425 6409 1 8 . 1 1 101 101 MET N N 101 121.837 121.837 120.973 0.864 19425 6410 1 8 . 1 1 101 101 MET C C 101 178.172 178.172 177.941 0.231 19425 6411 1 8 . 1 1 101 101 MET CA C 101 58.625 58.625 57.341 1.284 19425 6412 1 8 . 1 1 101 101 MET CB C 101 32.081 32.081 32.179 -0.098 19425 6413 1 8 . 1 1 101 101 MET H H 101 8.393 8.393 8.242 0.151 19425 6414 1 8 . 1 1 102 102 MET N N 102 119.901 119.901 118.358 1.543 19425 6415 1 8 . 1 1 102 102 MET C C 102 178.655 178.655 177.530 1.125 19425 6416 1 8 . 1 1 102 102 MET CA C 102 57.867 57.867 59.363 -1.496 19425 6417 1 8 . 1 1 102 102 MET CB C 102 32.414 32.414 32.206 0.207 19425 6418 1 8 . 1 1 102 102 MET H H 102 8.174 8.174 8.261 -0.087 19425 6419 1 8 . 1 1 103 103 LYS N N 103 120.555 120.555 119.567 0.988 19425 6420 1 8 . 1 1 103 103 LYS C C 103 177.857 177.857 178.874 -1.017 19425 6421 1 8 . 1 1 103 103 LYS CA C 103 58.592 58.592 59.752 -1.160 19425 6422 1 8 . 1 1 103 103 LYS CB C 103 31.816 31.816 32.272 -0.456 19425 6423 1 8 . 1 1 103 103 LYS H H 103 7.899 7.899 7.912 -0.013 19425 6424 1 8 . 1 1 104 104 THR N N 104 115.450 115.450 115.671 -0.221 19425 6425 1 8 . 1 1 104 104 THR C C 104 179.267 179.267 176.202 3.065 19425 6426 1 8 . 1 1 104 104 THR CA C 104 64.914 64.914 65.977 -1.063 19425 6427 1 8 . 1 1 104 104 THR CB C 104 69.103 69.103 68.638 0.465 19425 6428 1 8 . 1 1 104 104 THR H H 104 7.895 7.895 7.991 -0.096 19425 6429 1 8 . 1 1 105 105 ALA N N 105 124.862 124.862 123.548 1.314 19425 6430 1 8 . 1 1 105 105 ALA C C 105 176.057 176.057 179.361 -3.304 19425 6431 1 8 . 1 1 105 105 ALA CA C 105 54.106 54.106 54.988 -0.882 19425 6432 1 8 . 1 1 105 105 ALA CB C 105 18.493 18.493 18.328 0.165 19425 6433 1 8 . 1 1 105 105 ALA H H 105 7.896 7.896 7.782 0.114 19425 6434 1 8 . 1 1 106 106 GLN N N 106 117.285 117.285 116.988 0.297 19425 6435 1 8 . 1 1 106 106 GLN C C 106 178.655 178.655 177.653 1.002 19425 6436 1 8 . 1 1 106 106 GLN CA C 106 56.913 56.913 57.843 -0.930 19425 6437 1 8 . 1 1 106 106 GLN CB C 106 29.148 29.148 28.731 0.417 19425 6438 1 8 . 1 1 106 106 GLN H H 106 7.944 7.944 8.142 -0.198 19425 6439 1 8 . 1 1 107 107 GLY N N 107 107.494 107.494 108.893 -1.399 19425 6440 1 8 . 1 1 107 107 GLY C C 107 177.597 177.597 175.065 2.532 19425 6441 1 8 . 1 1 107 107 GLY CA C 107 45.975 45.975 44.961 1.014 19425 6442 1 8 . 1 1 107 107 GLY H H 107 7.852 7.852 7.863 -0.011 19425 6443 1 8 . 1 1 108 108 GLY N N 108 109.642 109.642 110.586 -0.944 19425 6444 1 8 . 1 1 108 108 GLY C C 108 174.740 174.740 174.348 0.392 19425 6445 1 8 . 1 1 108 108 GLY CA C 108 45.151 45.151 45.375 -0.224 19425 6446 1 8 . 1 1 108 108 GLY H H 108 8.313 8.313 8.077 0.236 19425 6447 1 8 . 1 1 109 109 GLY N N 109 108.058 108.058 108.404 -0.346 19425 6448 1 8 . 1 1 109 109 GLY C C 109 174.313 174.313 173.341 0.972 19425 6449 1 8 . 1 1 109 109 GLY CA C 109 44.659 44.659 44.667 -0.008 19425 6450 1 8 . 1 1 109 109 GLY H H 109 8.059 8.059 8.337 -0.278 19425 6451 1 8 . 1 1 110 110 HIS N N 110 118.432 118.432 117.634 0.798 19425 6452 1 8 . 1 1 110 110 HIS C C 110 173.348 173.348 175.173 -1.825 19425 6453 1 8 . 1 1 110 110 HIS CA C 110 55.590 55.590 55.474 0.116 19425 6454 1 8 . 1 1 110 110 HIS CB C 110 28.502 28.502 31.191 -2.689 19425 6455 1 8 . 1 1 110 110 HIS H H 110 8.261 8.261 8.050 0.211 19425 6456 1 8 . 1 1 111 111 ARG N N 111 122.052 122.052 116.192 5.860 19425 6457 1 8 . 1 1 111 111 ARG C C 111 174.908 174.908 174.955 -0.047 19425 6458 1 8 . 1 1 111 111 ARG CA C 111 55.233 55.233 55.314 -0.081 19425 6459 1 8 . 1 1 111 111 ARG CB C 111 31.125 31.125 32.935 -1.810 19425 6460 1 8 . 1 1 111 111 ARG H H 111 8.597 8.597 8.809 -0.212 19425 6461 1 8 . 1 1 112 112 THR N N 112 120.248 120.248 117.505 2.743 19425 6462 1 8 . 1 1 112 112 THR C C 112 176.447 176.447 174.422 2.025 19425 6463 1 8 . 1 1 112 112 THR CA C 112 63.723 63.723 63.110 0.613 19425 6464 1 8 . 1 1 112 112 THR CB C 112 68.984 68.984 69.321 -0.337 19425 6465 1 8 . 1 1 112 112 THR H H 112 8.577 8.577 8.429 0.148 19425 6466 1 8 . 1 1 113 113 LEU N N 113 130.382 130.382 126.588 3.794 19425 6467 1 8 . 1 1 113 113 LEU C C 113 174.294 174.294 175.459 -1.165 19425 6468 1 8 . 1 1 113 113 LEU CA C 113 56.791 56.791 54.611 2.180 19425 6469 1 8 . 1 1 113 113 LEU CB C 113 41.705 41.705 42.640 -0.935 19425 6470 1 8 . 1 1 113 113 LEU H H 113 8.515 8.515 8.881 -0.366 19425 6471 1 8 . 1 1 114 114 LEU N N 114 118.829 118.829 121.950 -3.121 19425 6472 1 8 . 1 1 114 114 LEU C C 114 175.278 175.278 176.673 -1.395 19425 6473 1 8 . 1 1 114 114 LEU CA C 114 51.667 51.667 52.583 -0.916 19425 6474 1 8 . 1 1 114 114 LEU CB C 114 42.454 42.454 44.466 -2.012 19425 6475 1 8 . 1 1 114 114 LEU H H 114 6.454 6.454 7.988 -1.534 19425 6476 1 8 . 1 1 115 115 TYR N N 115 119.059 119.059 121.278 -2.219 19425 6477 1 8 . 1 1 115 115 TYR C C 115 177.152 177.152 177.314 -0.162 19425 6478 1 8 . 1 1 115 115 TYR CA C 115 62.452 62.452 60.581 1.871 19425 6479 1 8 . 1 1 115 115 TYR CB C 115 38.058 38.058 37.944 0.114 19425 6480 1 8 . 1 1 115 115 TYR H H 115 8.797 8.797 8.711 0.086 19425 6481 1 8 . 1 1 116 116 GLY N N 116 115.795 115.795 113.306 2.489 19425 6482 1 8 . 1 1 116 116 GLY C C 116 178.061 178.061 173.893 4.168 19425 6483 1 8 . 1 1 116 116 GLY CA C 116 45.100 45.100 45.071 0.029 19425 6484 1 8 . 1 1 116 116 GLY H H 116 9.672 9.672 9.114 0.558 19425 6485 1 8 . 1 1 117 117 HIS N N 117 122.193 122.193 121.573 0.620 19425 6486 1 8 . 1 1 117 117 HIS C C 117 175.463 175.463 173.813 1.650 19425 6487 1 8 . 1 1 117 117 HIS CA C 117 56.119 56.119 55.602 0.517 19425 6488 1 8 . 1 1 117 117 HIS CB C 117 32.293 32.293 30.355 1.938 19425 6489 1 8 . 1 1 117 117 HIS H H 117 8.113 8.113 7.822 0.291 19425 6490 1 8 . 1 1 118 118 ALA N N 118 120.893 120.893 126.696 -5.803 19425 6491 1 8 . 1 1 118 118 ALA C C 118 173.775 173.775 176.130 -2.355 19425 6492 1 8 . 1 1 118 118 ALA CA C 118 50.378 50.378 51.428 -1.050 19425 6493 1 8 . 1 1 118 118 ALA CB C 118 21.646 21.646 19.649 1.997 19425 6494 1 8 . 1 1 118 118 ALA H H 118 9.458 9.458 8.882 0.576 19425 6495 1 8 . 1 1 120 120 LEU N N 120 119.631 119.631 124.222 -4.591 19425 6496 1 8 . 1 1 120 120 LEU C C 120 173.367 173.367 174.745 -1.378 19425 6497 1 8 . 1 1 120 120 LEU CA C 120 56.217 56.217 52.865 3.352 19425 6498 1 8 . 1 1 120 120 LEU CB C 120 39.519 39.519 43.906 -4.387 19425 6499 1 8 . 1 1 120 120 LEU H H 120 8.746 8.746 8.267 0.479 19425 6500 1 8 . 1 1 121 121 LEU N N 121 118.900 118.900 127.071 -8.171 19425 6501 1 8 . 1 1 121 121 LEU C C 121 171.400 171.400 175.744 -4.344 19425 6502 1 8 . 1 1 121 121 LEU CA C 121 52.852 52.852 53.693 -0.841 19425 6503 1 8 . 1 1 121 121 LEU CB C 121 43.452 43.452 42.704 0.748 19425 6504 1 8 . 1 1 121 121 LEU H H 121 8.590 8.590 8.638 -0.048 19425 6505 1 8 . 1 1 122 122 ARG N N 122 123.588 123.588 125.000 -1.412 19425 6506 1 8 . 1 1 122 122 ARG C C 122 176.465 176.465 175.523 0.942 19425 6507 1 8 . 1 1 122 122 ARG CA C 122 54.403 54.403 53.997 0.406 19425 6508 1 8 . 1 1 122 122 ARG CB C 122 32.897 32.897 31.633 1.264 19425 6509 1 8 . 1 1 122 122 ARG H H 122 9.077 9.077 8.841 0.236 19425 6510 1 8 . 1 1 123 123 HIS N N 123 131.440 131.440 127.725 3.715 19425 6511 1 8 . 1 1 123 123 HIS C C 123 175.704 175.704 175.557 0.147 19425 6512 1 8 . 1 1 123 123 HIS CA C 123 56.637 56.637 56.768 -0.131 19425 6513 1 8 . 1 1 123 123 HIS CB C 123 31.261 31.261 30.118 1.143 19425 6514 1 8 . 1 1 123 123 HIS H H 123 9.622 9.622 8.487 1.135 19425 6515 1 8 . 1 1 124 124 SER N N 124 127.024 127.024 125.300 1.724 19425 6516 1 8 . 1 1 124 124 SER C C 124 175.686 175.686 175.593 0.093 19425 6517 1 8 . 1 1 124 124 SER CA C 124 62.010 62.010 62.352 -0.343 19425 6518 1 8 . 1 1 124 124 SER CB C 124 62.912 62.912 62.960 -0.048 19425 6519 1 8 . 1 1 124 124 SER H H 124 7.840 7.840 7.899 -0.059 19425 6520 1 8 . 1 1 125 125 TYR N N 125 119.708 119.708 120.057 -0.349 19425 6521 1 8 . 1 1 125 125 TYR C C 125 180.696 180.696 176.650 4.046 19425 6522 1 8 . 1 1 125 125 TYR CA C 125 60.903 60.903 60.778 0.125 19425 6523 1 8 . 1 1 125 125 TYR CB C 125 38.744 38.744 38.566 0.177 19425 6524 1 8 . 1 1 125 125 TYR H H 125 8.746 8.746 7.408 1.338 19425 6525 1 8 . 1 1 126 126 SER N N 126 110.333 110.333 113.268 -2.935 19425 6526 1 8 . 1 1 126 126 SER C C 126 176.543 176.543 176.143 0.400 19425 6527 1 8 . 1 1 126 126 SER CA C 126 59.366 59.366 59.805 -0.439 19425 6528 1 8 . 1 1 126 126 SER CB C 126 65.282 65.282 64.474 0.808 19425 6529 1 8 . 1 1 126 126 SER H H 126 7.004 7.004 8.068 -1.064 19425 6530 1 8 . 1 1 127 127 GLY N N 127 113.322 113.322 110.578 2.744 19425 6531 1 8 . 1 1 127 127 GLY C C 127 176.428 176.428 174.272 2.156 19425 6532 1 8 . 1 1 127 127 GLY CA C 127 46.064 46.064 45.032 1.032 19425 6533 1 8 . 1 1 127 127 GLY H H 127 8.181 8.181 8.435 -0.254 19425 6534 1 8 . 1 1 128 128 MET N N 128 118.598 118.598 119.402 -0.804 19425 6535 1 8 . 1 1 128 128 MET C C 128 173.200 173.200 174.996 -1.796 19425 6536 1 8 . 1 1 128 128 MET CA C 128 55.429 55.429 56.434 -1.005 19425 6537 1 8 . 1 1 128 128 MET CB C 128 35.988 35.988 34.195 1.793 19425 6538 1 8 . 1 1 128 128 MET H H 128 7.551 7.551 7.554 -0.003 19425 6539 1 8 . 1 1 129 129 TYR N N 129 116.715 116.715 114.485 2.230 19425 6540 1 8 . 1 1 129 129 TYR C C 129 172.884 172.884 175.872 -2.988 19425 6541 1 8 . 1 1 129 129 TYR CA C 129 58.658 58.658 57.111 1.547 19425 6542 1 8 . 1 1 129 129 TYR CB C 129 40.914 40.914 41.156 -0.242 19425 6543 1 8 . 1 1 129 129 TYR H H 129 8.923 8.923 8.444 0.479 19425 6544 1 8 . 1 1 130 130 LEU N N 130 123.061 123.061 125.244 -2.183 19425 6545 1 8 . 1 1 130 130 LEU C C 130 176.677 176.677 176.518 0.159 19425 6546 1 8 . 1 1 130 130 LEU CA C 130 56.311 56.311 56.377 -0.066 19425 6547 1 8 . 1 1 130 130 LEU CB C 130 42.909 42.909 42.235 0.674 19425 6548 1 8 . 1 1 130 130 LEU H H 130 8.236 8.236 9.013 -0.777 19425 6549 1 8 . 1 1 131 131 CYS N N 131 126.618 126.618 127.394 -0.776 19425 6550 1 8 . 1 1 131 131 CYS C C 131 177.616 177.616 173.081 4.535 19425 6551 1 8 . 1 1 131 131 CYS CA C 131 57.028 57.028 56.944 0.084 19425 6552 1 8 . 1 1 131 131 CYS CB C 131 32.339 32.339 30.786 1.553 19425 6553 1 8 . 1 1 131 131 CYS H H 131 9.516 9.516 9.450 0.066 19425 6554 1 8 . 1 1 132 132 CYS N N 132 124.860 124.860 127.367 -2.507 19425 6555 1 8 . 1 1 132 132 CYS C C 132 172.309 172.309 174.068 -1.759 19425 6556 1 8 . 1 1 132 132 CYS CA C 132 59.436 59.436 57.448 1.988 19425 6557 1 8 . 1 1 132 132 CYS CB C 132 27.383 27.383 26.045 1.338 19425 6558 1 8 . 1 1 132 132 CYS H H 132 8.142 8.142 8.281 -0.139 19425 6559 1 8 . 1 1 133 133 LEU N N 133 131.382 131.382 126.934 4.448 19425 6560 1 8 . 1 1 133 133 LEU C C 133 174.035 174.035 177.493 -3.458 19425 6561 1 8 . 1 1 133 133 LEU CA C 133 54.799 54.799 55.233 -0.434 19425 6562 1 8 . 1 1 133 133 LEU CB C 133 41.109 41.109 42.681 -1.572 19425 6563 1 8 . 1 1 133 133 LEU H H 133 9.008 9.008 8.367 0.641 19425 6564 1 8 . 1 1 134 134 SER N N 134 112.103 112.103 113.628 -1.525 19425 6565 1 8 . 1 1 134 134 SER C C 134 175.519 175.519 174.431 1.088 19425 6566 1 8 . 1 1 134 134 SER CA C 134 58.320 58.320 58.945 -0.625 19425 6567 1 8 . 1 1 134 134 SER CB C 134 63.979 63.979 62.897 1.082 19425 6568 1 8 . 1 1 134 134 SER H H 134 8.229 8.229 8.572 -0.343 19425 6569 1 8 . 1 1 135 135 THR N N 135 111.693 111.693 113.293 -1.600 19425 6570 1 8 . 1 1 135 135 THR C C 135 174.535 174.535 175.217 -0.682 19425 6571 1 8 . 1 1 135 135 THR CA C 135 60.703 60.703 61.146 -0.443 19425 6572 1 8 . 1 1 135 135 THR CB C 135 70.624 70.624 70.427 0.198 19425 6573 1 8 . 1 1 135 135 THR H H 135 7.292 7.292 7.488 -0.196 19425 6574 1 8 . 1 1 136 136 SER N N 136 117.260 117.260 122.413 -5.153 19425 6575 1 8 . 1 1 136 136 SER C C 136 173.478 173.478 174.866 -1.388 19425 6576 1 8 . 1 1 136 136 SER CA C 136 57.537 57.537 61.151 -3.614 19425 6577 1 8 . 1 1 136 136 SER CB C 136 64.593 64.593 63.720 0.873 19425 6578 1 8 . 1 1 136 136 SER H H 136 8.544 8.544 9.094 -0.550 19425 6579 1 8 . 1 1 137 137 ARG N N 137 124.804 124.804 118.318 6.486 19425 6580 1 8 . 1 1 137 137 ARG C C 137 175.000 175.000 174.917 0.083 19425 6581 1 8 . 1 1 137 137 ARG CA C 137 56.922 56.922 56.662 0.260 19425 6582 1 8 . 1 1 137 137 ARG CB C 137 30.733 30.733 30.937 -0.204 19425 6583 1 8 . 1 1 137 137 ARG H H 137 9.231 9.231 8.313 0.918 19425 6584 1 8 . 1 1 138 138 SER N N 138 126.225 126.225 113.525 12.700 19425 6585 1 8 . 1 1 138 138 SER C C 138 175.871 175.871 173.952 1.919 19425 6586 1 8 . 1 1 138 138 SER CA C 138 61.891 61.891 58.763 3.128 19425 6587 1 8 . 1 1 138 138 SER CB C 138 62.730 62.730 64.704 -1.974 19425 6588 1 8 . 1 1 138 138 SER H H 138 7.891 7.891 8.403 -0.512 19425 6589 1 8 . 1 1 140 140 THR N N 140 114.799 114.799 115.830 -1.031 19425 6590 1 8 . 1 1 140 140 THR C C 140 173.756 173.756 174.127 -0.371 19425 6591 1 8 . 1 1 140 140 THR CA C 140 62.895 62.895 62.767 0.128 19425 6592 1 8 . 1 1 140 140 THR CB C 140 69.332 69.332 68.950 0.383 19425 6593 1 8 . 1 1 140 140 THR H H 140 8.168 8.168 8.386 -0.218 19425 6594 1 8 . 1 1 141 141 ASP N N 141 121.772 121.772 120.822 0.950 19425 6595 1 8 . 1 1 141 141 ASP C C 141 174.795 174.795 175.739 -0.944 19425 6596 1 8 . 1 1 141 141 ASP CA C 141 54.001 54.001 54.608 -0.607 19425 6597 1 8 . 1 1 141 141 ASP CB C 141 40.914 40.914 41.477 -0.563 19425 6598 1 8 . 1 1 141 141 ASP H H 141 8.049 8.049 7.964 0.085 19425 6599 1 8 . 1 1 142 142 LYS N N 142 121.585 121.585 118.674 2.911 19425 6600 1 8 . 1 1 142 142 LYS C C 142 176.274 176.274 176.605 -0.331 19425 6601 1 8 . 1 1 142 142 LYS CA C 142 57.106 57.106 55.789 1.317 19425 6602 1 8 . 1 1 142 142 LYS CB C 142 31.369 31.369 32.925 -1.556 19425 6603 1 8 . 1 1 142 142 LYS H H 142 8.376 8.376 8.339 0.037 19425 6604 1 8 . 1 1 143 143 LEU N N 143 119.604 119.604 121.416 -1.812 19425 6605 1 8 . 1 1 143 143 LEU C C 143 176.798 176.798 176.926 -0.128 19425 6606 1 8 . 1 1 143 143 LEU CA C 143 55.261 55.261 57.145 -1.885 19425 6607 1 8 . 1 1 143 143 LEU CB C 143 41.487 41.487 41.260 0.227 19425 6608 1 8 . 1 1 143 143 LEU H H 143 8.262 8.262 7.820 0.442 19425 6609 1 8 . 1 1 144 144 ALA N N 144 123.881 123.881 116.391 7.490 19425 6610 1 8 . 1 1 144 144 ALA C C 144 176.410 176.410 176.717 -0.307 19425 6611 1 8 . 1 1 144 144 ALA CA C 144 51.335 51.335 50.627 0.708 19425 6612 1 8 . 1 1 144 144 ALA CB C 144 20.924 20.924 21.007 -0.083 19425 6613 1 8 . 1 1 144 144 ALA H H 144 7.614 7.614 7.641 -0.027 19425 6614 1 8 . 1 1 145 145 PHE N N 145 120.083 120.083 118.246 1.837 19425 6615 1 8 . 1 1 145 145 PHE C C 145 176.948 176.948 175.680 1.268 19425 6616 1 8 . 1 1 145 145 PHE CA C 145 55.872 55.872 56.797 -0.925 19425 6617 1 8 . 1 1 145 145 PHE CB C 145 42.468 42.468 41.194 1.274 19425 6618 1 8 . 1 1 145 145 PHE H H 145 8.647 8.647 8.702 -0.055 19425 6619 1 8 . 1 1 146 146 ASP N N 146 119.893 119.893 120.148 -0.255 19425 6620 1 8 . 1 1 146 146 ASP C C 146 175.519 175.519 174.388 1.131 19425 6621 1 8 . 1 1 146 146 ASP CA C 146 54.679 54.679 54.506 0.173 19425 6622 1 8 . 1 1 146 146 ASP CB C 146 42.169 42.169 43.060 -0.891 19425 6623 1 8 . 1 1 146 146 ASP H H 146 8.692 8.692 8.974 -0.282 19425 6624 1 8 . 1 1 147 147 VAL N N 147 118.800 118.800 122.031 -3.231 19425 6625 1 8 . 1 1 147 147 VAL C C 147 174.053 174.053 175.572 -1.519 19425 6626 1 8 . 1 1 147 147 VAL CA C 147 60.671 60.671 61.360 -0.689 19425 6627 1 8 . 1 1 147 147 VAL CB C 147 35.326 35.326 33.033 2.293 19425 6628 1 8 . 1 1 147 147 VAL H H 147 8.224 8.224 8.552 -0.328 19425 6629 1 8 . 1 1 148 148 GLY N N 148 113.226 113.226 114.624 -1.398 19425 6630 1 8 . 1 1 148 148 GLY C C 148 175.141 175.141 172.221 2.920 19425 6631 1 8 . 1 1 148 148 GLY CA C 148 45.384 45.384 43.787 1.597 19425 6632 1 8 . 1 1 148 148 GLY H H 148 8.594 8.594 8.768 -0.174 19425 6633 1 8 . 1 1 149 149 LEU N N 149 120.880 120.880 119.485 1.395 19425 6634 1 8 . 1 1 149 149 LEU C C 149 170.973 170.973 175.209 -4.236 19425 6635 1 8 . 1 1 149 149 LEU CA C 149 53.299 53.299 53.672 -0.373 19425 6636 1 8 . 1 1 149 149 LEU CB C 149 43.938 43.938 45.524 -1.586 19425 6637 1 8 . 1 1 149 149 LEU H H 149 8.303 8.303 8.062 0.241 19425 6638 1 8 . 1 1 150 150 GLN N N 150 118.978 118.978 119.914 -0.936 19425 6639 1 8 . 1 1 150 150 GLN C C 150 177.133 177.133 175.724 1.409 19425 6640 1 8 . 1 1 150 150 GLN CA C 150 54.723 54.723 55.062 -0.339 19425 6641 1 8 . 1 1 150 150 GLN CB C 150 32.690 32.690 32.352 0.338 19425 6642 1 8 . 1 1 150 150 GLN H H 150 9.115 9.115 8.626 0.489 19425 6643 1 8 . 1 1 151 151 GLU N N 151 121.344 121.344 125.188 -3.844 19425 6644 1 8 . 1 1 151 151 GLU C C 151 175.333 175.333 176.074 -0.741 19425 6645 1 8 . 1 1 151 151 GLU CA C 151 59.140 59.140 58.629 0.511 19425 6646 1 8 . 1 1 151 151 GLU CB C 151 30.735 30.735 29.708 1.027 19425 6647 1 8 . 1 1 151 151 GLU H H 151 9.142 9.142 8.828 0.314 19425 6648 1 8 . 1 1 152 152 ASP N N 152 117.494 117.494 117.680 -0.186 19425 6649 1 8 . 1 1 152 152 ASP C C 152 176.391 176.391 175.823 0.568 19425 6650 1 8 . 1 1 152 152 ASP CA C 152 54.139 54.139 54.562 -0.423 19425 6651 1 8 . 1 1 152 152 ASP CB C 152 41.920 41.920 41.123 0.797 19425 6652 1 8 . 1 1 152 152 ASP H H 152 8.023 8.023 8.074 -0.051 19425 6653 1 8 . 1 1 153 153 THR N N 153 111.969 111.969 107.492 4.477 19425 6654 1 8 . 1 1 153 153 THR C C 153 175.964 175.964 174.605 1.359 19425 6655 1 8 . 1 1 153 153 THR CA C 153 61.894 61.894 61.496 0.398 19425 6656 1 8 . 1 1 153 153 THR CB C 153 68.903 68.903 68.829 0.074 19425 6657 1 8 . 1 1 153 153 THR H H 153 7.985 7.985 8.068 -0.083 19425 6658 1 8 . 1 1 154 154 THR N N 154 113.978 113.978 114.834 -0.856 19425 6659 1 8 . 1 1 154 154 THR C C 154 175.000 175.000 174.875 0.125 19425 6660 1 8 . 1 1 154 154 THR CA C 154 62.359 62.359 62.873 -0.514 19425 6661 1 8 . 1 1 154 154 THR CB C 154 69.210 69.210 68.454 0.756 19425 6662 1 8 . 1 1 154 154 THR H H 154 7.790 7.790 7.701 0.089 19425 6663 1 8 . 1 1 155 155 GLY N N 155 108.411 108.411 114.405 -5.994 19425 6664 1 8 . 1 1 155 155 GLY C C 155 174.702 174.702 172.428 2.274 19425 6665 1 8 . 1 1 155 155 GLY CA C 155 44.737 44.737 44.797 -0.061 19425 6666 1 8 . 1 1 155 155 GLY H H 155 7.639 7.639 7.929 -0.290 19425 6667 1 8 . 1 1 156 156 GLU N N 156 118.666 118.666 120.338 -1.672 19425 6668 1 8 . 1 1 156 156 GLU C C 156 173.571 173.571 177.756 -4.185 19425 6669 1 8 . 1 1 156 156 GLU CA C 156 59.352 59.352 57.001 2.351 19425 6670 1 8 . 1 1 156 156 GLU CB C 156 31.248 31.248 30.062 1.186 19425 6671 1 8 . 1 1 156 156 GLU H H 156 8.606 8.606 8.726 -0.120 19425 6672 1 8 . 1 1 157 157 ALA N N 157 118.664 118.664 123.425 -4.761 19425 6673 1 8 . 1 1 157 157 ALA C C 157 177.727 177.727 178.294 -0.567 19425 6674 1 8 . 1 1 157 157 ALA CA C 157 55.063 55.063 54.822 0.242 19425 6675 1 8 . 1 1 157 157 ALA CB C 157 18.856 18.856 18.553 0.303 19425 6676 1 8 . 1 1 157 157 ALA H H 157 8.159 8.159 8.533 -0.374 19425 6677 1 8 . 1 1 158 158 CYS N N 158 114.681 114.681 112.528 2.153 19425 6678 1 8 . 1 1 158 158 CYS C C 158 179.972 179.972 173.698 6.274 19425 6679 1 8 . 1 1 158 158 CYS CA C 158 57.585 57.585 56.518 1.067 19425 6680 1 8 . 1 1 158 158 CYS CB C 158 27.977 27.977 27.273 0.704 19425 6681 1 8 . 1 1 158 158 CYS H H 158 7.973 7.973 8.069 -0.096 19425 6682 1 8 . 1 1 165 165 ALA N N 165 122.416 122.416 128.253 -5.837 19425 6683 1 8 . 1 1 165 165 ALA C C 165 176.743 176.743 177.626 -0.883 19425 6684 1 8 . 1 1 165 165 ALA CA C 165 52.390 52.390 53.970 -1.580 19425 6685 1 8 . 1 1 165 165 ALA CB C 165 20.486 20.486 19.222 1.264 19425 6686 1 8 . 1 1 165 165 ALA H H 165 8.190 8.190 8.666 -0.476 19425 6687 1 8 . 1 1 166 166 SER N N 166 111.681 111.681 112.679 -0.998 19425 6688 1 8 . 1 1 166 166 SER C C 166 176.876 176.876 174.342 2.534 19425 6689 1 8 . 1 1 166 166 SER CA C 166 56.863 56.863 56.829 0.034 19425 6690 1 8 . 1 1 166 166 SER CB C 166 65.738 65.738 65.085 0.653 19425 6691 1 8 . 1 1 166 166 SER H H 166 7.690 7.690 7.542 0.148 19425 6692 1 8 . 1 1 167 167 LYS N N 167 121.655 121.655 118.844 2.811 19425 6693 1 8 . 1 1 167 167 LYS C C 167 175.241 175.241 177.534 -2.293 19425 6694 1 8 . 1 1 167 167 LYS CA C 167 55.297 55.297 56.475 -1.178 19425 6695 1 8 . 1 1 167 167 LYS CB C 167 31.364 31.364 32.438 -1.074 19425 6696 1 8 . 1 1 167 167 LYS H H 167 8.230 8.230 8.456 -0.226 19425 6697 1 8 . 1 1 168 168 GLN N N 168 117.832 117.832 117.149 0.683 19425 6698 1 8 . 1 1 168 168 GLN C C 168 176.836 176.836 176.792 0.044 19425 6699 1 8 . 1 1 168 168 GLN CA C 168 57.366 57.366 56.722 0.644 19425 6700 1 8 . 1 1 168 168 GLN CB C 168 28.979 28.979 28.926 0.053 19425 6701 1 8 . 1 1 168 168 GLN H H 168 8.134 8.134 7.672 0.462 19425 6702 1 8 . 1 1 169 169 ARG N N 169 117.052 117.052 119.869 -2.817 19425 6703 1 8 . 1 1 169 169 ARG C C 169 175.946 175.946 175.192 0.754 19425 6704 1 8 . 1 1 169 169 ARG CA C 169 52.885 52.885 54.637 -1.752 19425 6705 1 8 . 1 1 169 169 ARG CB C 169 32.795 32.795 30.833 1.962 19425 6706 1 8 . 1 1 169 169 ARG H H 169 7.209 7.209 7.827 -0.618 19425 6707 1 8 . 1 1 170 170 SER N N 170 114.335 114.335 114.290 0.045 19425 6708 1 8 . 1 1 170 170 SER C C 170 174.387 174.387 173.383 1.004 19425 6709 1 8 . 1 1 170 170 SER CA C 170 56.976 56.976 56.043 0.933 19425 6710 1 8 . 1 1 170 170 SER CB C 170 66.348 66.348 65.608 0.740 19425 6711 1 8 . 1 1 170 170 SER H H 170 8.279 8.279 8.470 -0.191 19425 6712 1 8 . 1 1 171 171 GLU N N 171 121.428 121.428 120.774 0.654 19425 6713 1 8 . 1 1 171 171 GLU C C 171 173.293 173.293 177.047 -3.754 19425 6714 1 8 . 1 1 171 171 GLU CA C 171 58.658 58.658 57.564 1.094 19425 6715 1 8 . 1 1 171 171 GLU CB C 171 28.693 28.693 28.893 -0.200 19425 6716 1 8 . 1 1 171 171 GLU H H 171 8.540 8.540 8.678 -0.138 19425 6717 1 8 . 1 1 172 172 GLY N N 172 113.162 113.162 114.125 -0.963 19425 6718 1 8 . 1 1 172 172 GLY C C 172 177.504 177.504 174.571 2.933 19425 6719 1 8 . 1 1 172 172 GLY CA C 172 45.452 45.452 45.002 0.450 19425 6720 1 8 . 1 1 172 172 GLY H H 172 8.676 8.676 9.076 -0.400 19425 6721 1 8 . 1 1 173 173 GLU N N 173 119.545 119.545 121.389 -1.844 19425 6722 1 8 . 1 1 173 173 GLU C C 173 173.311 173.311 176.114 -2.803 19425 6723 1 8 . 1 1 173 173 GLU CA C 173 55.689 55.689 56.698 -1.009 19425 6724 1 8 . 1 1 173 173 GLU CB C 173 31.204 31.204 30.756 0.448 19425 6725 1 8 . 1 1 173 173 GLU H H 173 7.805 7.805 7.820 -0.015 19425 6726 1 8 . 1 1 174 174 LYS N N 174 120.834 120.834 120.869 -0.035 19425 6727 1 8 . 1 1 174 174 LYS C C 174 175.352 175.352 176.866 -1.514 19425 6728 1 8 . 1 1 174 174 LYS CA C 174 57.207 57.207 57.009 0.198 19425 6729 1 8 . 1 1 174 174 LYS CB C 174 34.185 34.185 32.809 1.376 19425 6730 1 8 . 1 1 174 174 LYS H H 174 8.215 8.215 8.453 -0.238 19425 6731 1 8 . 1 1 175 175 VAL N N 175 122.529 122.529 124.264 -1.735 19425 6732 1 8 . 1 1 175 175 VAL C C 175 176.595 176.595 175.321 1.274 19425 6733 1 8 . 1 1 175 175 VAL CA C 175 63.046 63.046 61.846 1.200 19425 6734 1 8 . 1 1 175 175 VAL CB C 175 31.265 31.265 31.610 -0.345 19425 6735 1 8 . 1 1 175 175 VAL H H 175 7.914 7.914 8.586 -0.672 19425 6736 1 8 . 1 1 176 176 ARG N N 176 127.622 127.622 127.248 0.374 19425 6737 1 8 . 1 1 176 176 ARG C C 176 175.742 175.742 176.978 -1.236 19425 6738 1 8 . 1 1 176 176 ARG CA C 176 55.767 55.767 54.822 0.945 19425 6739 1 8 . 1 1 176 176 ARG CB C 176 30.480 30.480 31.320 -0.841 19425 6740 1 8 . 1 1 176 176 ARG H H 176 7.570 7.570 8.326 -0.756 19425 6741 1 8 . 1 1 177 177 VAL N N 177 122.521 122.521 122.455 0.066 19425 6742 1 8 . 1 1 177 177 VAL C C 177 177.523 177.523 177.060 0.463 19425 6743 1 8 . 1 1 177 177 VAL CA C 177 65.322 65.322 64.545 0.777 19425 6744 1 8 . 1 1 177 177 VAL CB C 177 31.431 31.431 31.285 0.146 19425 6745 1 8 . 1 1 177 177 VAL H H 177 8.276 8.276 8.127 0.149 19425 6746 1 8 . 1 1 179 179 ASP N N 179 122.577 122.577 123.685 -1.108 19425 6747 1 8 . 1 1 179 179 ASP C C 179 174.554 174.554 175.852 -1.298 19425 6748 1 8 . 1 1 179 179 ASP CA C 179 54.687 54.687 55.197 -0.510 19425 6749 1 8 . 1 1 179 179 ASP CB C 179 40.417 40.417 41.086 -0.669 19425 6750 1 8 . 1 1 179 179 ASP H H 179 7.848 7.848 7.909 -0.061 19425 6751 1 8 . 1 1 180 180 ASP N N 180 121.916 121.916 124.151 -2.235 19425 6752 1 8 . 1 1 180 180 ASP C C 180 174.610 174.610 175.924 -1.314 19425 6753 1 8 . 1 1 180 180 ASP CA C 180 54.379 54.379 54.922 -0.543 19425 6754 1 8 . 1 1 180 180 ASP CB C 180 42.178 42.178 40.888 1.290 19425 6755 1 8 . 1 1 180 180 ASP H H 180 8.521 8.521 8.465 0.056 19425 6756 1 8 . 1 1 181 181 LEU N N 181 121.499 121.499 123.695 -2.196 19425 6757 1 8 . 1 1 181 181 LEU C C 181 175.166 175.166 176.726 -1.560 19425 6758 1 8 . 1 1 181 181 LEU CA C 181 54.379 54.379 53.713 0.666 19425 6759 1 8 . 1 1 181 181 LEU CB C 181 45.395 45.395 44.414 0.981 19425 6760 1 8 . 1 1 181 181 LEU H H 181 9.782 9.782 9.070 0.712 19425 6761 1 8 . 1 1 185 185 SER N N 185 122.939 122.939 122.176 0.763 19425 6762 1 8 . 1 1 185 185 SER C C 185 175.871 175.871 175.302 0.569 19425 6763 1 8 . 1 1 185 185 SER CA C 185 57.514 57.514 58.417 -0.903 19425 6764 1 8 . 1 1 185 185 SER CB C 185 62.772 62.772 63.602 -0.830 19425 6765 1 8 . 1 1 185 185 SER H H 185 9.183 9.183 8.913 0.270 19425 6766 1 8 . 1 1 186 186 VAL N N 186 131.799 131.799 128.126 3.673 19425 6767 1 8 . 1 1 186 186 VAL C C 186 177.226 177.226 177.255 -0.029 19425 6768 1 8 . 1 1 186 186 VAL CA C 186 65.883 65.883 65.299 0.585 19425 6769 1 8 . 1 1 186 186 VAL CB C 186 31.190 31.190 31.345 -0.155 19425 6770 1 8 . 1 1 186 186 VAL H H 186 8.285 8.285 8.423 -0.138 19425 6771 1 8 . 1 1 187 187 SER N N 187 110.228 110.228 112.484 -2.256 19425 6772 1 8 . 1 1 187 187 SER C C 187 177.077 177.077 175.364 1.713 19425 6773 1 8 . 1 1 187 187 SER CA C 187 60.200 60.200 60.294 -0.094 19425 6774 1 8 . 1 1 187 187 SER CB C 187 62.264 62.264 63.355 -1.091 19425 6775 1 8 . 1 1 187 187 SER H H 187 7.000 7.000 7.941 -0.941 19425 6776 1 8 . 1 1 188 188 SER N N 188 115.022 115.022 114.125 0.897 19425 6777 1 8 . 1 1 188 188 SER C C 188 176.632 176.632 173.728 2.904 19425 6778 1 8 . 1 1 188 188 SER CA C 188 58.889 58.889 58.036 0.853 19425 6779 1 8 . 1 1 188 188 SER CB C 188 66.818 66.818 65.117 1.701 19425 6780 1 8 . 1 1 188 188 SER H H 188 7.886 7.886 7.554 0.332 19425 6781 1 8 . 1 1 189 189 GLU N N 189 118.477 118.477 119.071 -0.594 19425 6782 1 8 . 1 1 189 189 GLU C C 189 175.000 175.000 174.369 0.631 19425 6783 1 8 . 1 1 189 189 GLU CA C 189 58.562 58.562 57.893 0.669 19425 6784 1 8 . 1 1 189 189 GLU CB C 189 27.420 27.420 27.603 -0.183 19425 6785 1 8 . 1 1 189 189 GLU H H 189 7.929 7.929 8.197 -0.268 19425 6786 1 8 . 1 1 190 190 ARG N N 190 116.828 116.828 116.928 -0.100 19425 6787 1 8 . 1 1 190 190 ARG C C 190 173.868 173.868 175.929 -2.061 19425 6788 1 8 . 1 1 190 190 ARG CA C 190 54.238 54.238 54.546 -0.308 19425 6789 1 8 . 1 1 190 190 ARG CB C 190 32.141 32.141 33.016 -0.875 19425 6790 1 8 . 1 1 190 190 ARG H H 190 6.723 6.723 7.278 -0.555 19425 6791 1 8 . 1 1 191 191 TYR N N 191 118.733 118.733 121.255 -2.522 19425 6792 1 8 . 1 1 191 191 TYR C C 191 174.368 174.368 177.305 -2.937 19425 6793 1 8 . 1 1 191 191 TYR CA C 191 57.405 57.405 58.642 -1.237 19425 6794 1 8 . 1 1 191 191 TYR CB C 191 39.444 39.444 39.483 -0.039 19425 6795 1 8 . 1 1 191 191 TYR H H 191 8.912 8.912 9.012 -0.100 19425 6796 1 8 . 1 1 192 192 LEU N N 192 123.460 123.460 124.616 -1.156 19425 6797 1 8 . 1 1 192 192 LEU C C 192 176.753 176.753 176.080 0.673 19425 6798 1 8 . 1 1 192 192 LEU CA C 192 57.061 57.061 54.164 2.897 19425 6799 1 8 . 1 1 192 192 LEU CB C 192 41.351 41.351 40.587 0.763 19425 6800 1 8 . 1 1 192 192 LEU H H 192 8.836 8.836 8.873 -0.037 19425 6801 1 8 . 1 1 193 193 HIS N N 193 134.195 134.195 125.354 8.841 19425 6802 1 8 . 1 1 193 193 HIS C C 193 178.766 178.766 174.426 4.340 19425 6803 1 8 . 1 1 193 193 HIS CA C 193 56.349 56.349 56.004 0.345 19425 6804 1 8 . 1 1 193 193 HIS CB C 193 31.613 31.613 31.786 -0.173 19425 6805 1 8 . 1 1 193 193 HIS H H 193 10.227 10.227 8.873 1.354 19425 6806 1 8 . 1 1 194 194 LEU N N 194 128.500 128.500 127.676 0.824 19425 6807 1 8 . 1 1 194 194 LEU C C 194 170.268 170.268 175.034 -4.766 19425 6808 1 8 . 1 1 194 194 LEU CA C 194 54.139 54.139 53.884 0.255 19425 6809 1 8 . 1 1 194 194 LEU CB C 194 44.036 44.036 43.038 0.998 19425 6810 1 8 . 1 1 194 194 LEU H H 194 7.784 7.784 7.767 0.017 19425 6811 1 8 . 1 1 195 195 SER N N 195 122.195 122.195 121.979 0.216 19425 6812 1 8 . 1 1 195 195 SER C C 195 174.740 174.740 173.342 1.398 19425 6813 1 8 . 1 1 195 195 SER CA C 195 56.814 56.814 56.386 0.428 19425 6814 1 8 . 1 1 195 195 SER CB C 195 66.260 66.260 65.905 0.355 19425 6815 1 8 . 1 1 195 195 SER H H 195 9.042 9.042 8.856 0.186 19425 6816 1 8 . 1 1 196 196 TYR N N 196 124.809 124.809 129.174 -4.365 19425 6817 1 8 . 1 1 196 196 TYR C C 196 172.439 172.439 175.050 -2.611 19425 6818 1 8 . 1 1 196 196 TYR CA C 196 57.019 57.019 56.688 0.331 19425 6819 1 8 . 1 1 196 196 TYR CB C 196 39.817 39.817 38.733 1.084 19425 6820 1 8 . 1 1 196 196 TYR H H 196 8.657 8.657 8.792 -0.135 19425 6821 1 8 . 1 1 197 197 GLY N N 197 114.111 114.111 113.787 0.324 19425 6822 1 8 . 1 1 197 197 GLY C C 197 176.113 176.113 174.608 1.505 19425 6823 1 8 . 1 1 197 197 GLY CA C 197 45.492 45.492 44.431 1.061 19425 6824 1 8 . 1 1 197 197 GLY H H 197 8.030 8.030 8.347 -0.317 19425 6825 1 8 . 1 1 200 200 SER N N 200 113.158 113.158 116.200 -3.042 19425 6826 1 8 . 1 1 200 200 SER C C 200 172.661 172.661 171.756 0.905 19425 6827 1 8 . 1 1 200 200 SER CA C 200 56.890 56.890 57.108 -0.218 19425 6828 1 8 . 1 1 200 200 SER CB C 200 65.522 65.522 65.582 -0.060 19425 6829 1 8 . 1 1 200 200 SER H H 200 6.893 6.893 7.371 -0.478 19425 6830 1 8 . 1 1 201 201 TRP N N 201 122.521 122.521 120.230 2.291 19425 6831 1 8 . 1 1 201 201 TRP C C 201 171.813 171.813 176.056 -4.243 19425 6832 1 8 . 1 1 201 201 TRP CA C 201 56.990 56.990 56.276 0.714 19425 6833 1 8 . 1 1 201 201 TRP CB C 201 31.501 31.501 31.527 -0.026 19425 6834 1 8 . 1 1 201 201 TRP H H 201 8.243 8.243 8.217 0.026 19425 6835 1 8 . 1 1 202 202 HIS N N 202 121.171 121.171 118.595 2.576 19425 6836 1 8 . 1 1 202 202 HIS C C 202 173.805 173.805 173.671 0.134 19425 6837 1 8 . 1 1 202 202 HIS CA C 202 55.169 55.169 54.624 0.545 19425 6838 1 8 . 1 1 202 202 HIS CB C 202 32.254 32.254 34.493 -2.239 19425 6839 1 8 . 1 1 202 202 HIS H H 202 9.383 9.383 9.382 0.001 19425 6840 1 8 . 1 1 203 203 VAL N N 203 119.943 119.943 120.511 -0.568 19425 6841 1 8 . 1 1 203 203 VAL C C 203 172.439 172.439 174.143 -1.704 19425 6842 1 8 . 1 1 203 203 VAL CA C 203 58.683 58.683 59.743 -1.060 19425 6843 1 8 . 1 1 203 203 VAL CB C 203 33.957 33.957 34.257 -0.300 19425 6844 1 8 . 1 1 203 203 VAL H H 203 8.649 8.649 8.857 -0.208 19425 6845 1 8 . 1 1 204 204 ASP N N 204 127.907 127.907 126.550 1.357 19425 6846 1 8 . 1 1 204 204 ASP C C 204 173.162 173.162 173.682 -0.520 19425 6847 1 8 . 1 1 204 204 ASP CA C 204 53.545 53.545 52.834 0.711 19425 6848 1 8 . 1 1 204 204 ASP CB C 204 42.169 42.169 44.357 -2.188 19425 6849 1 8 . 1 1 204 204 ASP H H 204 9.822 9.822 8.976 0.846 19425 6850 1 8 . 1 1 205 205 ALA N N 205 121.047 121.047 121.104 -0.057 19425 6851 1 8 . 1 1 205 205 ALA C C 205 172.754 172.754 176.221 -3.467 19425 6852 1 8 . 1 1 205 205 ALA CA C 205 50.147 50.147 50.557 -0.410 19425 6853 1 8 . 1 1 205 205 ALA CB C 205 19.642 19.642 19.539 0.103 19425 6854 1 8 . 1 1 205 205 ALA H H 205 9.176 9.176 8.310 0.866 19425 6855 1 8 . 1 1 206 206 ALA N N 206 127.318 127.318 126.278 1.040 19425 6856 1 8 . 1 1 206 206 ALA C C 206 176.465 176.465 175.848 0.617 19425 6857 1 8 . 1 1 206 206 ALA CA C 206 50.609 50.609 50.389 0.220 19425 6858 1 8 . 1 1 206 206 ALA CB C 206 23.819 23.819 21.863 1.956 19425 6859 1 8 . 1 1 206 206 ALA H H 206 9.088 9.088 8.038 1.050 19425 6860 1 8 . 1 1 207 207 PHE N N 207 117.878 117.878 117.206 0.672 19425 6861 1 8 . 1 1 207 207 PHE C C 207 176.576 176.576 175.727 0.849 19425 6862 1 8 . 1 1 207 207 PHE CA C 207 59.714 59.714 58.652 1.062 19425 6863 1 8 . 1 1 207 207 PHE CB C 207 38.239 38.239 38.874 -0.635 19425 6864 1 8 . 1 1 207 207 PHE H H 207 8.953 8.953 8.499 0.454 19425 6865 1 8 . 1 1 208 208 GLN N N 208 117.531 117.531 117.119 0.412 19425 6866 1 8 . 1 1 208 208 GLN C C 208 175.166 175.166 175.366 -0.200 19425 6867 1 8 . 1 1 208 208 GLN CA C 208 55.096 55.096 54.085 1.011 19425 6868 1 8 . 1 1 208 208 GLN CB C 208 30.437 30.437 30.313 0.124 19425 6869 1 8 . 1 1 208 208 GLN H H 208 6.613 6.613 7.745 -1.132 19425 6870 1 8 . 1 1 209 209 GLN N N 209 117.318 117.318 122.774 -5.456 19425 6871 1 8 . 1 1 209 209 GLN C C 209 173.162 173.162 175.931 -2.769 19425 6872 1 8 . 1 1 209 209 GLN CA C 209 56.217 56.217 56.937 -0.720 19425 6873 1 8 . 1 1 209 209 GLN CB C 209 29.912 29.912 29.318 0.594 19425 6874 1 8 . 1 1 209 209 GLN H H 209 8.108 8.108 8.327 -0.219 19425 6875 1 8 . 1 1 210 210 THR N N 210 116.616 116.616 114.009 2.607 19425 6876 1 8 . 1 1 210 210 THR C C 210 176.150 176.150 172.762 3.388 19425 6877 1 8 . 1 1 210 210 THR CA C 210 62.848 62.848 61.775 1.073 19425 6878 1 8 . 1 1 210 210 THR CB C 210 73.244 73.244 69.998 3.246 19425 6879 1 8 . 1 1 210 210 THR H H 210 6.641 6.641 8.218 -1.577 19425 6880 1 8 . 1 1 211 211 LEU N N 211 126.776 126.776 127.288 -0.512 19425 6881 1 8 . 1 1 211 211 LEU C C 211 171.418 171.418 175.708 -4.290 19425 6882 1 8 . 1 1 211 211 LEU CA C 211 55.012 55.012 54.747 0.265 19425 6883 1 8 . 1 1 211 211 LEU CB C 211 41.627 41.627 42.274 -0.647 19425 6884 1 8 . 1 1 211 211 LEU H H 211 8.418 8.418 8.496 -0.078 19425 6885 1 8 . 1 1 212 212 TRP N N 212 124.678 124.678 124.330 0.348 19425 6886 1 8 . 1 1 212 212 TRP C C 212 175.742 175.742 175.896 -0.154 19425 6887 1 8 . 1 1 212 212 TRP CA C 212 56.052 56.052 55.605 0.447 19425 6888 1 8 . 1 1 212 212 TRP CB C 212 31.169 31.169 33.081 -1.912 19425 6889 1 8 . 1 1 212 212 TRP H H 212 9.462 9.462 9.140 0.322 19425 6890 1 8 . 1 1 213 213 SER N N 213 118.197 118.197 117.528 0.669 19425 6891 1 8 . 1 1 213 213 SER C C 213 175.575 175.575 173.737 1.838 19425 6892 1 8 . 1 1 213 213 SER CA C 213 57.141 57.141 56.767 0.374 19425 6893 1 8 . 1 1 213 213 SER CB C 213 64.800 64.800 63.721 1.079 19425 6894 1 8 . 1 1 213 213 SER H H 213 9.642 9.642 9.368 0.274 19425 6895 1 8 . 1 1 214 214 VAL N N 214 125.581 125.581 129.833 -4.252 19425 6896 1 8 . 1 1 214 214 VAL C C 214 174.183 174.183 174.803 -0.620 19425 6897 1 8 . 1 1 214 214 VAL CA C 214 61.398 61.398 62.081 -0.684 19425 6898 1 8 . 1 1 214 214 VAL CB C 214 32.502 32.502 31.599 0.903 19425 6899 1 8 . 1 1 214 214 VAL H H 214 8.433 8.433 8.631 -0.198 19425 6900 1 8 . 1 1 215 215 ALA N N 215 130.074 130.074 131.492 -1.418 19425 6901 1 8 . 1 1 215 215 ALA C C 215 174.647 174.647 174.283 0.364 19425 6902 1 8 . 1 1 215 215 ALA CA C 215 49.058 49.058 48.477 0.581 19425 6903 1 8 . 1 1 215 215 ALA CB C 215 20.299 20.299 20.468 -0.169 19425 6904 1 8 . 1 1 215 215 ALA H H 215 8.572 8.572 8.368 0.204 19425 6905 1 9 . 1 1 13 13 PHE N N 13 122.001 122.001 121.122 0.879 19425 6906 1 9 . 1 1 13 13 PHE C C 13 174.608 174.608 175.805 -1.197 19425 6907 1 9 . 1 1 13 13 PHE CA C 13 56.445 56.445 56.099 0.346 19425 6908 1 9 . 1 1 13 13 PHE CB C 13 41.650 41.650 41.858 -0.208 19425 6909 1 9 . 1 1 13 13 PHE H H 13 8.209 8.209 8.257 -0.048 19425 6910 1 9 . 1 1 14 14 LEU N N 14 122.475 122.475 123.699 -1.224 19425 6911 1 9 . 1 1 14 14 LEU C C 14 175.630 175.630 176.100 -0.470 19425 6912 1 9 . 1 1 14 14 LEU CA C 14 55.024 55.024 55.312 -0.288 19425 6913 1 9 . 1 1 14 14 LEU CB C 14 43.987 43.987 42.149 1.838 19425 6914 1 9 . 1 1 14 14 LEU H H 14 8.264 8.264 9.014 -0.750 19425 6915 1 9 . 1 1 15 15 ARG N N 15 121.510 121.510 121.595 -0.085 19425 6916 1 9 . 1 1 15 15 ARG C C 15 175.630 175.630 177.128 -1.498 19425 6917 1 9 . 1 1 15 15 ARG CA C 15 54.007 54.007 52.405 1.602 19425 6918 1 9 . 1 1 15 15 ARG CB C 15 34.536 34.536 33.316 1.220 19425 6919 1 9 . 1 1 15 15 ARG H H 15 8.653 8.653 8.176 0.477 19425 6920 1 9 . 1 1 16 16 THR N N 16 110.840 110.840 114.155 -3.315 19425 6921 1 9 . 1 1 16 16 THR C C 16 175.946 175.946 175.624 0.322 19425 6922 1 9 . 1 1 16 16 THR CA C 16 62.950 62.950 62.731 0.219 19425 6923 1 9 . 1 1 16 16 THR CB C 16 69.276 69.276 69.486 -0.210 19425 6924 1 9 . 1 1 16 16 THR H H 16 8.815 8.815 8.640 0.174 19425 6925 1 9 . 1 1 17 17 ASP N N 17 114.036 114.036 118.275 -4.239 19425 6926 1 9 . 1 1 17 17 ASP C C 17 175.686 175.686 175.124 0.562 19425 6927 1 9 . 1 1 17 17 ASP CA C 17 57.735 57.735 56.070 1.665 19425 6928 1 9 . 1 1 17 17 ASP CB C 17 39.928 39.928 40.374 -0.446 19425 6929 1 9 . 1 1 17 17 ASP H H 17 9.241 9.241 8.808 0.433 19425 6930 1 9 . 1 1 18 18 ASP N N 18 122.062 122.062 121.600 0.462 19425 6931 1 9 . 1 1 18 18 ASP C C 18 175.946 175.946 176.101 -0.155 19425 6932 1 9 . 1 1 18 18 ASP CA C 18 56.214 56.214 55.117 1.097 19425 6933 1 9 . 1 1 18 18 ASP CB C 18 40.985 40.985 41.404 -0.419 19425 6934 1 9 . 1 1 18 18 ASP H H 18 8.035 8.035 7.671 0.364 19425 6935 1 9 . 1 1 19 19 GLU N N 19 122.006 122.006 123.964 -1.958 19425 6936 1 9 . 1 1 19 19 GLU C C 19 175.055 175.055 176.483 -1.428 19425 6937 1 9 . 1 1 19 19 GLU CA C 19 55.262 55.262 56.394 -1.132 19425 6938 1 9 . 1 1 19 19 GLU CB C 19 30.712 30.712 30.422 0.290 19425 6939 1 9 . 1 1 19 19 GLU H H 19 8.274 8.274 8.616 -0.342 19425 6940 1 9 . 1 1 20 20 VAL N N 20 118.214 118.214 120.229 -2.015 19425 6941 1 9 . 1 1 20 20 VAL C C 20 176.855 176.855 173.758 3.097 19425 6942 1 9 . 1 1 20 20 VAL CA C 20 59.054 59.054 58.940 0.114 19425 6943 1 9 . 1 1 20 20 VAL CB C 20 36.780 36.780 36.322 0.458 19425 6944 1 9 . 1 1 20 20 VAL H H 20 9.779 9.779 9.185 0.594 19425 6945 1 9 . 1 1 21 21 VAL N N 21 115.443 115.443 115.520 -0.077 19425 6946 1 9 . 1 1 21 21 VAL C C 21 173.830 173.830 174.005 -0.175 19425 6947 1 9 . 1 1 21 21 VAL CA C 21 60.308 60.308 59.365 0.943 19425 6948 1 9 . 1 1 21 21 VAL CB C 21 34.625 34.625 35.248 -0.623 19425 6949 1 9 . 1 1 21 21 VAL H H 21 8.167 8.167 8.500 -0.333 19425 6950 1 9 . 1 1 22 22 LEU N N 22 128.072 128.072 127.604 0.468 19425 6951 1 9 . 1 1 22 22 LEU C C 22 174.858 174.858 176.021 -1.163 19425 6952 1 9 . 1 1 22 22 LEU CA C 22 55.656 55.656 54.252 1.404 19425 6953 1 9 . 1 1 22 22 LEU CB C 22 42.545 42.545 42.256 0.289 19425 6954 1 9 . 1 1 22 22 LEU H H 22 10.103 10.103 8.955 1.148 19425 6955 1 9 . 1 1 23 23 GLN N N 23 120.609 120.609 122.987 -2.378 19425 6956 1 9 . 1 1 23 23 GLN C C 23 175.500 175.500 175.259 0.241 19425 6957 1 9 . 1 1 23 23 GLN CA C 23 53.710 53.710 54.248 -0.538 19425 6958 1 9 . 1 1 23 23 GLN CB C 23 33.697 33.697 33.234 0.463 19425 6959 1 9 . 1 1 23 23 GLN H H 23 9.119 9.119 8.688 0.431 19425 6960 1 9 . 1 1 24 24 CYS N N 24 118.659 118.659 119.744 -1.085 19425 6961 1 9 . 1 1 24 24 CYS C C 24 174.443 174.443 173.823 0.620 19425 6962 1 9 . 1 1 24 24 CYS CA C 24 55.261 55.261 55.800 -0.539 19425 6963 1 9 . 1 1 24 24 CYS CB C 24 30.302 30.302 30.982 -0.680 19425 6964 1 9 . 1 1 24 24 CYS H H 24 8.993 8.993 9.167 -0.174 19425 6965 1 9 . 1 1 25 25 THR N N 25 116.266 116.266 119.722 -3.456 19425 6966 1 9 . 1 1 25 25 THR C C 25 172.457 172.457 173.703 -1.246 19425 6967 1 9 . 1 1 25 25 THR CA C 25 61.858 61.858 62.930 -1.072 19425 6968 1 9 . 1 1 25 25 THR CB C 25 70.271 70.271 68.966 1.305 19425 6969 1 9 . 1 1 25 25 THR H H 25 8.480 8.480 8.595 -0.115 19425 6970 1 9 . 1 1 26 26 ALA N N 26 129.739 129.739 130.824 -1.085 19425 6971 1 9 . 1 1 26 26 ALA C C 26 172.717 172.717 175.045 -2.328 19425 6972 1 9 . 1 1 26 26 ALA CA C 26 50.642 50.642 50.035 0.607 19425 6973 1 9 . 1 1 26 26 ALA CB C 26 21.315 21.315 19.833 1.482 19425 6974 1 9 . 1 1 26 26 ALA H H 26 8.590 8.590 8.696 -0.106 19425 6975 1 9 . 1 1 27 27 THR N N 27 116.574 116.574 118.811 -2.237 19425 6976 1 9 . 1 1 27 27 THR C C 27 173.181 173.181 173.750 -0.569 19425 6977 1 9 . 1 1 27 27 THR CA C 27 61.919 61.919 61.180 0.739 19425 6978 1 9 . 1 1 27 27 THR CB C 27 69.696 69.696 70.828 -1.132 19425 6979 1 9 . 1 1 27 27 THR H H 27 8.110 8.110 8.270 -0.160 19425 6980 1 9 . 1 1 28 28 ILE N N 28 126.342 126.342 125.073 1.269 19425 6981 1 9 . 1 1 28 28 ILE C C 28 173.793 173.793 174.621 -0.828 19425 6982 1 9 . 1 1 28 28 ILE CA C 28 60.407 60.407 61.373 -0.966 19425 6983 1 9 . 1 1 28 28 ILE CB C 28 39.536 39.536 40.368 -0.832 19425 6984 1 9 . 1 1 28 28 ILE H H 28 8.483 8.483 8.677 -0.194 19425 6985 1 9 . 1 1 29 29 HIS N N 29 126.364 126.364 126.063 0.301 19425 6986 1 9 . 1 1 29 29 HIS C C 29 175.259 175.259 174.260 0.999 19425 6987 1 9 . 1 1 29 29 HIS CA C 29 57.174 57.174 57.270 -0.096 19425 6988 1 9 . 1 1 29 29 HIS CB C 29 28.029 28.029 28.434 -0.405 19425 6989 1 9 . 1 1 29 29 HIS H H 29 9.110 9.110 8.432 0.678 19425 6990 1 9 . 1 1 31 31 GLU N N 31 120.962 120.962 119.978 0.984 19425 6991 1 9 . 1 1 31 31 GLU C C 31 175.575 175.575 174.383 1.192 19425 6992 1 9 . 1 1 31 31 GLU CA C 31 55.394 55.394 55.567 -0.173 19425 6993 1 9 . 1 1 31 31 GLU CB C 31 31.576 31.576 32.201 -0.625 19425 6994 1 9 . 1 1 31 31 GLU H H 31 8.047 8.047 7.776 0.271 19425 6995 1 9 . 1 1 32 32 GLN N N 32 123.171 123.171 126.472 -3.301 19425 6996 1 9 . 1 1 32 32 GLN C C 32 175.185 175.185 174.791 0.394 19425 6997 1 9 . 1 1 32 32 GLN CA C 32 54.496 54.496 54.661 -0.165 19425 6998 1 9 . 1 1 32 32 GLN CB C 32 30.054 30.054 31.516 -1.462 19425 6999 1 9 . 1 1 32 32 GLN H H 32 8.646 8.646 8.767 -0.121 19425 7000 1 9 . 1 1 33 33 GLN N N 33 123.530 123.530 121.142 2.388 19425 7001 1 9 . 1 1 33 33 GLN C C 33 175.667 175.667 173.481 2.186 19425 7002 1 9 . 1 1 33 33 GLN CA C 33 54.616 54.616 54.574 0.042 19425 7003 1 9 . 1 1 33 33 GLN CB C 33 31.748 31.748 32.713 -0.965 19425 7004 1 9 . 1 1 33 33 GLN H H 33 8.839 8.839 8.837 0.002 19425 7005 1 9 . 1 1 34 34 LYS N N 34 124.601 124.601 120.795 3.806 19425 7006 1 9 . 1 1 34 34 LYS C C 34 173.812 173.812 174.925 -1.113 19425 7007 1 9 . 1 1 34 34 LYS CA C 34 55.755 55.755 55.209 0.546 19425 7008 1 9 . 1 1 34 34 LYS CB C 34 32.712 32.712 35.468 -2.756 19425 7009 1 9 . 1 1 34 34 LYS H H 34 8.589 8.589 8.525 0.064 19425 7010 1 9 . 1 1 35 35 LEU N N 35 126.071 126.071 122.452 3.619 19425 7011 1 9 . 1 1 35 35 LEU C C 35 175.445 175.445 175.894 -0.449 19425 7012 1 9 . 1 1 35 35 LEU CA C 35 53.347 53.347 52.718 0.629 19425 7013 1 9 . 1 1 35 35 LEU CB C 35 44.943 44.943 46.047 -1.104 19425 7014 1 9 . 1 1 35 35 LEU H H 35 8.794 8.794 8.466 0.328 19425 7015 1 9 . 1 1 36 36 CYS N N 36 118.373 118.373 118.570 -0.197 19425 7016 1 9 . 1 1 36 36 CYS C C 36 176.057 176.057 175.359 0.698 19425 7017 1 9 . 1 1 36 36 CYS CA C 36 57.174 57.174 55.382 1.792 19425 7018 1 9 . 1 1 36 36 CYS CB C 36 30.306 30.306 28.978 1.328 19425 7019 1 9 . 1 1 36 36 CYS H H 36 9.042 9.042 8.760 0.282 19425 7020 1 9 . 1 1 37 37 LEU N N 37 129.256 129.256 125.904 3.352 19425 7021 1 9 . 1 1 37 37 LEU C C 37 174.090 174.090 175.337 -1.247 19425 7022 1 9 . 1 1 37 37 LEU CA C 37 56.349 56.349 55.434 0.915 19425 7023 1 9 . 1 1 37 37 LEU CB C 37 42.689 42.689 42.038 0.650 19425 7024 1 9 . 1 1 37 37 LEU H H 37 8.811 8.811 8.845 -0.034 19425 7025 1 9 . 1 1 38 38 ALA N N 38 127.229 127.229 128.443 -1.214 19425 7026 1 9 . 1 1 38 38 ALA C C 38 174.517 174.517 175.178 -0.661 19425 7027 1 9 . 1 1 38 38 ALA CA C 38 50.609 50.609 49.480 1.129 19425 7028 1 9 . 1 1 38 38 ALA CB C 38 24.141 24.141 22.124 2.017 19425 7029 1 9 . 1 1 38 38 ALA H H 38 8.879 8.879 8.615 0.264 19425 7030 1 9 . 1 1 39 39 ALA N N 39 117.076 117.076 119.942 -2.866 19425 7031 1 9 . 1 1 39 39 ALA C C 39 174.665 174.665 174.687 -0.022 19425 7032 1 9 . 1 1 39 39 ALA CA C 39 51.500 51.500 51.634 -0.134 19425 7033 1 9 . 1 1 39 39 ALA CB C 39 20.996 20.996 21.458 -0.462 19425 7034 1 9 . 1 1 39 39 ALA H H 39 6.837 6.837 7.717 -0.880 19425 7035 1 9 . 1 1 40 40 GLU N N 40 119.966 119.966 118.225 1.741 19425 7036 1 9 . 1 1 40 40 GLU C C 40 176.205 176.205 176.001 0.204 19425 7037 1 9 . 1 1 40 40 GLU CA C 40 55.950 55.950 54.519 1.431 19425 7038 1 9 . 1 1 40 40 GLU CB C 40 31.836 31.836 32.471 -0.635 19425 7039 1 9 . 1 1 40 40 GLU H H 40 8.413 8.413 8.535 -0.122 19425 7040 1 9 . 1 1 41 41 GLY N N 41 108.646 108.646 106.806 1.840 19425 7041 1 9 . 1 1 41 41 GLY C C 41 176.892 176.892 173.686 3.206 19425 7042 1 9 . 1 1 41 41 GLY CA C 41 45.628 45.628 45.236 0.392 19425 7043 1 9 . 1 1 41 41 GLY H H 41 8.463 8.463 8.796 -0.333 19425 7044 1 9 . 1 1 43 43 GLY N N 43 109.557 109.557 109.792 -0.235 19425 7045 1 9 . 1 1 43 43 GLY C C 43 176.465 176.465 174.883 1.582 19425 7046 1 9 . 1 1 43 43 GLY CA C 43 45.397 45.397 45.796 -0.399 19425 7047 1 9 . 1 1 43 43 GLY H H 43 8.510 8.510 8.698 -0.188 19425 7048 1 9 . 1 1 44 44 ASN N N 44 116.850 116.850 122.296 -5.446 19425 7049 1 9 . 1 1 44 44 ASN C C 44 173.830 173.830 175.342 -1.512 19425 7050 1 9 . 1 1 44 44 ASN CA C 44 54.184 54.184 52.508 1.676 19425 7051 1 9 . 1 1 44 44 ASN CB C 44 38.252 38.252 37.437 0.815 19425 7052 1 9 . 1 1 44 44 ASN H H 44 8.028 8.028 8.637 -0.609 19425 7053 1 9 . 1 1 45 45 ARG N N 45 118.226 118.226 114.523 3.703 19425 7054 1 9 . 1 1 45 45 ARG C C 45 174.072 174.072 174.567 -0.495 19425 7055 1 9 . 1 1 45 45 ARG CA C 45 56.077 56.077 57.119 -1.042 19425 7056 1 9 . 1 1 45 45 ARG CB C 45 31.231 31.231 27.216 4.015 19425 7057 1 9 . 1 1 45 45 ARG H H 45 7.759 7.759 7.419 0.340 19425 7058 1 9 . 1 1 46 46 LEU N N 46 124.643 124.643 119.350 5.293 19425 7059 1 9 . 1 1 46 46 LEU C C 46 176.447 176.447 177.528 -1.081 19425 7060 1 9 . 1 1 46 46 LEU CA C 46 54.667 54.667 53.938 0.729 19425 7061 1 9 . 1 1 46 46 LEU CB C 46 42.605 42.605 42.854 -0.249 19425 7062 1 9 . 1 1 46 46 LEU H H 46 8.695 8.695 7.899 0.796 19425 7063 1 9 . 1 1 47 47 CYS N N 47 119.241 119.241 119.827 -0.586 19425 7064 1 9 . 1 1 47 47 CYS C C 47 176.651 176.651 174.528 2.123 19425 7065 1 9 . 1 1 47 47 CYS CA C 47 55.885 55.885 58.164 -2.279 19425 7066 1 9 . 1 1 47 47 CYS CB C 47 31.112 31.112 29.025 2.087 19425 7067 1 9 . 1 1 47 47 CYS H H 47 9.007 9.007 8.569 0.438 19425 7068 1 9 . 1 1 48 48 PHE N N 48 114.081 114.081 119.101 -5.020 19425 7069 1 9 . 1 1 48 48 PHE C C 48 170.342 170.342 173.241 -2.899 19425 7070 1 9 . 1 1 48 48 PHE CA C 48 57.405 57.405 55.688 1.717 19425 7071 1 9 . 1 1 48 48 PHE CB C 48 43.263 43.263 40.329 2.934 19425 7072 1 9 . 1 1 48 48 PHE H H 48 8.647 8.647 8.286 0.361 19425 7073 1 9 . 1 1 49 49 LEU N N 49 122.287 122.287 118.899 3.388 19425 7074 1 9 . 1 1 49 49 LEU C C 49 176.236 176.236 176.206 0.030 19425 7075 1 9 . 1 1 49 49 LEU CA C 49 53.285 53.285 53.683 -0.398 19425 7076 1 9 . 1 1 49 49 LEU CB C 49 42.907 42.907 45.797 -2.890 19425 7077 1 9 . 1 1 49 49 LEU H H 49 9.108 9.108 8.814 0.294 19425 7078 1 9 . 1 1 50 50 GLU N N 50 123.206 123.206 122.070 1.136 19425 7079 1 9 . 1 1 50 50 GLU C C 50 177.671 177.671 175.271 2.400 19425 7080 1 9 . 1 1 50 50 GLU CA C 50 57.084 57.084 54.714 2.370 19425 7081 1 9 . 1 1 50 50 GLU CB C 50 30.123 30.123 33.233 -3.110 19425 7082 1 9 . 1 1 50 50 GLU H H 50 8.834 8.834 8.460 0.374 19425 7083 1 9 . 1 1 51 51 SER N N 51 118.500 118.500 121.186 -2.686 19425 7084 1 9 . 1 1 51 51 SER C C 51 176.706 176.706 175.152 1.554 19425 7085 1 9 . 1 1 51 51 SER CA C 51 58.560 58.560 58.312 0.248 19425 7086 1 9 . 1 1 51 51 SER CB C 51 63.979 63.979 63.948 0.031 19425 7087 1 9 . 1 1 51 51 SER H H 51 8.461 8.461 8.827 -0.366 19425 7088 1 9 . 1 1 52 52 THR N N 52 116.205 116.205 116.580 -0.375 19425 7089 1 9 . 1 1 52 52 THR C C 52 174.808 174.808 175.204 -0.396 19425 7090 1 9 . 1 1 52 52 THR CA C 52 61.891 61.891 60.170 1.721 19425 7091 1 9 . 1 1 52 52 THR CB C 52 70.076 70.076 71.081 -1.005 19425 7092 1 9 . 1 1 52 52 THR H H 52 8.199 8.199 8.416 -0.217 19425 7093 1 9 . 1 1 65 65 CYS N N 65 117.553 117.553 119.845 -2.292 19425 7094 1 9 . 1 1 65 65 CYS C C 65 176.948 176.948 174.106 2.842 19425 7095 1 9 . 1 1 65 65 CYS CA C 65 57.900 57.900 57.526 0.374 19425 7096 1 9 . 1 1 65 65 CYS CB C 65 30.290 30.290 26.171 4.119 19425 7097 1 9 . 1 1 65 65 CYS H H 65 7.539 7.539 7.609 -0.070 19425 7098 1 9 . 1 1 66 66 THR N N 66 113.614 113.614 118.202 -4.588 19425 7099 1 9 . 1 1 66 66 THR C C 66 180.325 180.325 173.393 6.932 19425 7100 1 9 . 1 1 66 66 THR CA C 66 63.399 63.399 63.452 -0.053 19425 7101 1 9 . 1 1 66 66 THR CB C 66 69.281 69.281 69.341 -0.060 19425 7102 1 9 . 1 1 66 66 THR H H 66 6.851 6.851 7.193 -0.342 19425 7103 1 9 . 1 1 67 67 PHE N N 67 126.248 126.248 125.638 0.610 19425 7104 1 9 . 1 1 67 67 PHE C C 67 174.424 174.424 174.157 0.267 19425 7105 1 9 . 1 1 67 67 PHE CA C 67 56.184 56.184 56.652 -0.468 19425 7106 1 9 . 1 1 67 67 PHE CB C 67 43.291 43.291 44.364 -1.073 19425 7107 1 9 . 1 1 67 67 PHE H H 67 9.603 9.603 9.334 0.269 19425 7108 1 9 . 1 1 68 68 VAL N N 68 121.310 121.310 118.858 2.452 19425 7109 1 9 . 1 1 68 68 VAL C C 68 173.719 173.719 175.516 -1.797 19425 7110 1 9 . 1 1 68 68 VAL CA C 68 60.935 60.935 60.693 0.242 19425 7111 1 9 . 1 1 68 68 VAL CB C 68 34.522 34.522 34.416 0.106 19425 7112 1 9 . 1 1 68 68 VAL H H 68 9.968 9.968 8.633 1.335 19425 7113 1 9 . 1 1 69 69 LEU N N 69 127.011 127.011 128.664 -1.653 19425 7114 1 9 . 1 1 69 69 LEU C C 69 177.152 177.152 177.945 -0.793 19425 7115 1 9 . 1 1 69 69 LEU CA C 69 53.083 53.083 54.580 -1.497 19425 7116 1 9 . 1 1 69 69 LEU CB C 69 39.652 39.652 39.351 0.301 19425 7117 1 9 . 1 1 69 69 LEU H H 69 8.135 8.135 8.605 -0.470 19425 7118 1 9 . 1 1 70 70 GLU N N 70 129.683 129.683 122.633 7.050 19425 7119 1 9 . 1 1 70 70 GLU C C 70 174.869 174.869 177.065 -2.196 19425 7120 1 9 . 1 1 70 70 GLU CA C 70 59.747 59.747 59.541 0.206 19425 7121 1 9 . 1 1 70 70 GLU CB C 70 31.291 31.291 29.811 1.480 19425 7122 1 9 . 1 1 70 70 GLU H H 70 8.654 8.654 8.375 0.279 19425 7123 1 9 . 1 1 71 71 GLN N N 71 110.287 110.287 116.959 -6.672 19425 7124 1 9 . 1 1 71 71 GLN C C 71 176.094 176.094 175.154 0.940 19425 7125 1 9 . 1 1 71 71 GLN CA C 71 54.030 54.030 54.324 -0.294 19425 7126 1 9 . 1 1 71 71 GLN CB C 71 33.112 33.112 33.222 -0.110 19425 7127 1 9 . 1 1 71 71 GLN H H 71 7.318 7.318 7.600 -0.282 19425 7128 1 9 . 1 1 72 72 SER N N 72 116.205 116.205 117.093 -0.888 19425 7129 1 9 . 1 1 72 72 SER C C 72 174.035 174.035 173.239 0.796 19425 7130 1 9 . 1 1 72 72 SER CA C 72 58.132 58.132 58.482 -0.350 19425 7131 1 9 . 1 1 72 72 SER CB C 72 64.295 64.295 64.094 0.201 19425 7132 1 9 . 1 1 72 72 SER H H 72 8.380 8.380 8.796 -0.416 19425 7133 1 9 . 1 1 73 73 LEU N N 73 127.858 127.858 124.133 3.725 19425 7134 1 9 . 1 1 73 73 LEU C C 73 173.701 173.701 175.678 -1.977 19425 7135 1 9 . 1 1 73 73 LEU CA C 73 53.347 53.347 53.212 0.134 19425 7136 1 9 . 1 1 73 73 LEU CB C 73 45.926 45.926 44.943 0.983 19425 7137 1 9 . 1 1 73 73 LEU H H 73 9.532 9.532 8.834 0.698 19425 7138 1 9 . 1 1 74 74 SER N N 74 115.724 115.724 114.227 1.497 19425 7139 1 9 . 1 1 74 74 SER C C 74 177.541 177.541 175.899 1.642 19425 7140 1 9 . 1 1 74 74 SER CA C 74 57.905 57.905 57.541 0.364 19425 7141 1 9 . 1 1 74 74 SER CB C 74 63.901 63.901 63.522 0.379 19425 7142 1 9 . 1 1 74 74 SER H H 74 8.240 8.240 8.008 0.232 19425 7143 1 9 . 1 1 75 75 VAL N N 75 122.994 122.994 124.707 -1.713 19425 7144 1 9 . 1 1 75 75 VAL C C 75 174.610 174.610 177.700 -3.090 19425 7145 1 9 . 1 1 75 75 VAL CA C 75 67.104 67.104 67.402 -0.298 19425 7146 1 9 . 1 1 75 75 VAL CB C 75 30.953 30.953 31.645 -0.692 19425 7147 1 9 . 1 1 75 75 VAL H H 75 9.056 9.056 8.956 0.100 19425 7148 1 9 . 1 1 76 76 ARG N N 76 119.193 119.193 120.147 -0.954 19425 7149 1 9 . 1 1 76 76 ARG C C 76 178.228 178.228 178.132 0.096 19425 7150 1 9 . 1 1 76 76 ARG CA C 76 59.087 59.087 59.369 -0.282 19425 7151 1 9 . 1 1 76 76 ARG CB C 76 29.280 29.280 29.816 -0.536 19425 7152 1 9 . 1 1 76 76 ARG H H 76 8.137 8.137 8.340 -0.203 19425 7153 1 9 . 1 1 77 77 ALA N N 77 122.977 122.977 121.744 1.233 19425 7154 1 9 . 1 1 77 77 ALA C C 77 178.506 178.506 179.677 -1.171 19425 7155 1 9 . 1 1 77 77 ALA CA C 77 54.926 54.926 54.745 0.181 19425 7156 1 9 . 1 1 77 77 ALA CB C 77 18.231 18.231 18.074 0.157 19425 7157 1 9 . 1 1 77 77 ALA H H 77 7.699 7.699 7.566 0.133 19425 7158 1 9 . 1 1 78 78 LEU N N 78 121.115 121.115 120.223 0.892 19425 7159 1 9 . 1 1 78 78 LEU C C 78 180.640 180.640 178.385 2.255 19425 7160 1 9 . 1 1 78 78 LEU CA C 78 57.985 57.985 57.205 0.780 19425 7161 1 9 . 1 1 78 78 LEU CB C 78 40.522 40.522 41.247 -0.725 19425 7162 1 9 . 1 1 78 78 LEU H H 78 8.303 8.303 8.208 0.095 19425 7163 1 9 . 1 1 79 79 GLN N N 79 116.873 116.873 117.468 -0.595 19425 7164 1 9 . 1 1 79 79 GLN C C 79 177.875 177.875 178.398 -0.523 19425 7165 1 9 . 1 1 79 79 GLN CA C 79 59.069 59.069 59.064 0.005 19425 7166 1 9 . 1 1 79 79 GLN CB C 79 27.254 27.254 28.349 -1.095 19425 7167 1 9 . 1 1 79 79 GLN H H 79 8.390 8.390 8.221 0.169 19425 7168 1 9 . 1 1 80 80 GLU N N 80 120.455 120.455 120.746 -0.291 19425 7169 1 9 . 1 1 80 80 GLU C C 80 179.749 179.749 178.657 1.092 19425 7170 1 9 . 1 1 80 80 GLU CA C 80 59.413 59.413 58.901 0.512 19425 7171 1 9 . 1 1 80 80 GLU CB C 80 29.142 29.142 29.095 0.047 19425 7172 1 9 . 1 1 80 80 GLU H H 80 7.942 7.942 7.912 0.030 19425 7173 1 9 . 1 1 81 81 MET N N 81 120.541 120.541 118.519 2.022 19425 7174 1 9 . 1 1 81 81 MET C C 81 178.599 178.599 178.883 -0.284 19425 7175 1 9 . 1 1 81 81 MET CA C 81 59.665 59.665 59.317 0.348 19425 7176 1 9 . 1 1 81 81 MET CB C 81 32.534 32.534 32.652 -0.118 19425 7177 1 9 . 1 1 81 81 MET H H 81 7.870 7.870 7.908 -0.038 19425 7178 1 9 . 1 1 82 82 LEU N N 82 119.662 119.662 118.383 1.279 19425 7179 1 9 . 1 1 82 82 LEU C C 82 179.638 179.638 178.823 0.815 19425 7180 1 9 . 1 1 82 82 LEU CA C 82 57.669 57.669 56.966 0.703 19425 7181 1 9 . 1 1 82 82 LEU CB C 82 40.783 40.783 41.707 -0.924 19425 7182 1 9 . 1 1 82 82 LEU H H 82 8.488 8.488 7.900 0.588 19425 7183 1 9 . 1 1 83 83 ALA N N 83 120.827 120.827 120.344 0.483 19425 7184 1 9 . 1 1 83 83 ALA C C 83 179.323 179.323 179.376 -0.053 19425 7185 1 9 . 1 1 83 83 ALA CA C 83 54.073 54.073 54.751 -0.678 19425 7186 1 9 . 1 1 83 83 ALA CB C 83 18.326 18.326 18.651 -0.325 19425 7187 1 9 . 1 1 83 83 ALA H H 83 7.704 7.704 8.022 -0.318 19425 7188 1 9 . 1 1 84 84 ASN N N 84 115.853 115.853 115.111 0.742 19425 7189 1 9 . 1 1 84 84 ASN C C 84 178.944 178.944 176.637 2.307 19425 7190 1 9 . 1 1 84 84 ASN CA C 84 54.167 54.167 55.386 -1.220 19425 7191 1 9 . 1 1 84 84 ASN CB C 84 39.465 39.465 38.498 0.967 19425 7192 1 9 . 1 1 84 84 ASN H H 84 7.729 7.729 8.059 -0.330 19425 7193 1 9 . 1 1 85 85 THR N N 85 112.611 112.611 109.095 3.516 19425 7194 1 9 . 1 1 85 85 THR C C 85 175.569 175.569 175.935 -0.366 19425 7195 1 9 . 1 1 85 85 THR CA C 85 63.086 63.086 63.255 -0.169 19425 7196 1 9 . 1 1 85 85 THR CB C 85 70.071 70.071 69.161 0.910 19425 7197 1 9 . 1 1 85 85 THR H H 85 7.698 7.698 7.182 0.516 19425 7198 1 9 . 1 1 86 86 VAL N N 86 121.812 121.812 120.376 1.436 19425 7199 1 9 . 1 1 86 86 VAL C C 86 174.573 174.573 176.962 -2.389 19425 7200 1 9 . 1 1 86 86 VAL CA C 86 62.811 62.811 64.856 -2.045 19425 7201 1 9 . 1 1 86 86 VAL CB C 86 32.730 32.730 31.829 0.901 19425 7202 1 9 . 1 1 86 86 VAL H H 86 7.874 7.874 7.433 0.441 19425 7203 1 9 . 1 1 87 87 GLU N N 87 124.330 124.330 119.934 4.396 19425 7204 1 9 . 1 1 87 87 GLU C C 87 176.280 176.280 176.528 -0.248 19425 7205 1 9 . 1 1 87 87 GLU CA C 87 56.877 56.877 57.060 -0.183 19425 7206 1 9 . 1 1 87 87 GLU CB C 87 29.852 29.852 30.672 -0.820 19425 7207 1 9 . 1 1 87 87 GLU H H 87 8.403 8.403 8.144 0.259 19425 7208 1 9 . 1 1 88 88 LYS N N 88 122.065 122.065 120.495 1.570 19425 7209 1 9 . 1 1 88 88 LYS C C 88 176.966 176.966 177.082 -0.116 19425 7210 1 9 . 1 1 88 88 LYS CA C 88 56.799 56.799 55.326 1.473 19425 7211 1 9 . 1 1 88 88 LYS CB C 88 32.597 32.597 33.618 -1.021 19425 7212 1 9 . 1 1 88 88 LYS H H 88 8.330 8.330 7.603 0.727 19425 7213 1 9 . 1 1 89 89 SER N N 89 116.192 116.192 122.757 -6.565 19425 7214 1 9 . 1 1 89 89 SER C C 89 176.865 176.865 175.533 1.332 19425 7215 1 9 . 1 1 89 89 SER CA C 89 59.008 59.008 61.120 -2.112 19425 7216 1 9 . 1 1 89 89 SER CB C 89 63.765 63.765 63.396 0.369 19425 7217 1 9 . 1 1 89 89 SER H H 89 8.247 8.247 9.043 -0.796 19425 7218 1 9 . 1 1 90 90 GLU N N 90 122.006 122.006 117.866 4.140 19425 7219 1 9 . 1 1 90 90 GLU C C 90 174.702 174.702 176.701 -1.999 19425 7220 1 9 . 1 1 90 90 GLU CA C 90 57.231 57.231 56.488 0.743 19425 7221 1 9 . 1 1 90 90 GLU CB C 90 29.442 29.442 30.807 -1.365 19425 7222 1 9 . 1 1 90 90 GLU H H 90 8.560 8.560 8.232 0.328 19425 7223 1 9 . 1 1 91 91 GLY N N 91 110.052 110.052 109.253 0.799 19425 7224 1 9 . 1 1 91 91 GLY C C 91 177.170 177.170 174.049 3.121 19425 7225 1 9 . 1 1 91 91 GLY CA C 91 45.634 45.634 45.547 0.087 19425 7226 1 9 . 1 1 91 91 GLY H H 91 8.358 8.358 8.276 0.082 19425 7227 1 9 . 1 1 92 92 GLN N N 92 120.053 120.053 118.870 1.183 19425 7228 1 9 . 1 1 92 92 GLN C C 92 173.905 173.905 175.114 -1.209 19425 7229 1 9 . 1 1 92 92 GLN CA C 92 55.261 55.261 54.702 0.559 19425 7230 1 9 . 1 1 92 92 GLN CB C 92 29.573 29.573 30.873 -1.300 19425 7231 1 9 . 1 1 92 92 GLN H H 92 8.075 8.075 8.043 0.032 19425 7232 1 9 . 1 1 93 93 VAL N N 93 123.434 123.434 121.803 1.631 19425 7233 1 9 . 1 1 93 93 VAL C C 93 175.667 175.667 175.195 0.472 19425 7234 1 9 . 1 1 93 93 VAL CA C 93 62.914 62.914 61.473 1.441 19425 7235 1 9 . 1 1 93 93 VAL CB C 93 32.629 32.629 34.479 -1.850 19425 7236 1 9 . 1 1 93 93 VAL H H 93 8.370 8.370 8.255 0.115 19425 7237 1 9 . 1 1 94 94 ASP N N 94 125.761 125.761 126.826 -1.065 19425 7238 1 9 . 1 1 94 94 ASP C C 94 175.704 175.704 176.455 -0.751 19425 7239 1 9 . 1 1 94 94 ASP CA C 94 53.743 53.743 54.595 -0.852 19425 7240 1 9 . 1 1 94 94 ASP CB C 94 40.771 40.771 40.344 0.427 19425 7241 1 9 . 1 1 94 94 ASP H H 94 8.550 8.550 8.639 -0.089 19425 7242 1 9 . 1 1 95 95 VAL N N 95 125.064 125.064 122.915 2.149 19425 7243 1 9 . 1 1 95 95 VAL C C 95 176.465 176.465 175.559 0.906 19425 7244 1 9 . 1 1 95 95 VAL CA C 95 65.487 65.487 62.924 2.563 19425 7245 1 9 . 1 1 95 95 VAL CB C 95 31.773 31.773 32.053 -0.280 19425 7246 1 9 . 1 1 95 95 VAL H H 95 8.300 8.300 8.054 0.246 19425 7247 1 9 . 1 1 96 96 GLU N N 96 120.880 120.880 119.469 1.411 19425 7248 1 9 . 1 1 96 96 GLU C C 96 177.523 177.523 177.021 0.502 19425 7249 1 9 . 1 1 96 96 GLU CA C 96 59.157 59.157 58.901 0.256 19425 7250 1 9 . 1 1 96 96 GLU CB C 96 28.575 28.575 29.343 -0.768 19425 7251 1 9 . 1 1 96 96 GLU H H 96 8.297 8.297 8.503 -0.206 19425 7252 1 9 . 1 1 97 97 LYS N N 97 121.943 121.943 118.541 3.402 19425 7253 1 9 . 1 1 97 97 LYS C C 97 179.434 179.434 178.902 0.532 19425 7254 1 9 . 1 1 97 97 LYS CA C 97 59.186 59.186 58.033 1.153 19425 7255 1 9 . 1 1 97 97 LYS CB C 97 32.036 32.036 32.573 -0.537 19425 7256 1 9 . 1 1 97 97 LYS H H 97 7.979 7.979 8.015 -0.036 19425 7257 1 9 . 1 1 98 98 TRP N N 98 121.420 121.420 121.020 0.400 19425 7258 1 9 . 1 1 98 98 TRP C C 98 178.673 178.673 178.410 0.263 19425 7259 1 9 . 1 1 98 98 TRP CA C 98 60.176 60.176 59.526 0.650 19425 7260 1 9 . 1 1 98 98 TRP CB C 98 29.340 29.340 28.891 0.449 19425 7261 1 9 . 1 1 98 98 TRP H H 98 8.202 8.202 8.153 0.049 19425 7262 1 9 . 1 1 99 99 LYS N N 99 118.236 118.236 119.865 -1.629 19425 7263 1 9 . 1 1 99 99 LYS C C 99 177.374 177.374 178.696 -1.322 19425 7264 1 9 . 1 1 99 99 LYS CA C 99 59.812 59.812 60.469 -0.657 19425 7265 1 9 . 1 1 99 99 LYS CB C 99 32.042 32.042 31.844 0.198 19425 7266 1 9 . 1 1 99 99 LYS H H 99 8.346 8.346 8.404 -0.058 19425 7267 1 9 . 1 1 100 100 PHE N N 100 120.365 120.365 118.848 1.517 19425 7268 1 9 . 1 1 100 100 PHE C C 100 179.193 179.193 177.615 1.578 19425 7269 1 9 . 1 1 100 100 PHE CA C 100 60.902 60.902 61.082 -0.180 19425 7270 1 9 . 1 1 100 100 PHE CB C 100 38.875 38.875 39.002 -0.127 19425 7271 1 9 . 1 1 100 100 PHE H H 100 7.916 7.916 8.198 -0.282 19425 7272 1 9 . 1 1 101 101 MET N N 101 121.837 121.837 121.415 0.422 19425 7273 1 9 . 1 1 101 101 MET C C 101 178.172 178.172 178.228 -0.056 19425 7274 1 9 . 1 1 101 101 MET CA C 101 58.625 58.625 58.697 -0.072 19425 7275 1 9 . 1 1 101 101 MET CB C 101 32.081 32.081 32.079 0.002 19425 7276 1 9 . 1 1 101 101 MET H H 101 8.393 8.393 8.011 0.382 19425 7277 1 9 . 1 1 102 102 MET N N 102 119.901 119.901 117.628 2.273 19425 7278 1 9 . 1 1 102 102 MET C C 102 178.655 178.655 178.267 0.388 19425 7279 1 9 . 1 1 102 102 MET CA C 102 57.867 57.867 59.130 -1.264 19425 7280 1 9 . 1 1 102 102 MET CB C 102 32.414 32.414 32.533 -0.119 19425 7281 1 9 . 1 1 102 102 MET H H 102 8.174 8.174 8.536 -0.362 19425 7282 1 9 . 1 1 103 103 LYS N N 103 120.555 120.555 120.170 0.385 19425 7283 1 9 . 1 1 103 103 LYS C C 103 177.857 177.857 179.203 -1.346 19425 7284 1 9 . 1 1 103 103 LYS CA C 103 58.592 58.592 59.808 -1.216 19425 7285 1 9 . 1 1 103 103 LYS CB C 103 31.816 31.816 32.216 -0.400 19425 7286 1 9 . 1 1 103 103 LYS H H 103 7.899 7.899 8.045 -0.146 19425 7287 1 9 . 1 1 104 104 THR N N 104 115.450 115.450 115.644 -0.194 19425 7288 1 9 . 1 1 104 104 THR C C 104 179.267 179.267 176.040 3.227 19425 7289 1 9 . 1 1 104 104 THR CA C 104 64.914 64.914 66.623 -1.709 19425 7290 1 9 . 1 1 104 104 THR CB C 104 69.103 69.103 68.567 0.536 19425 7291 1 9 . 1 1 104 104 THR H H 104 7.895 7.895 7.987 -0.092 19425 7292 1 9 . 1 1 105 105 ALA N N 105 124.862 124.862 123.276 1.586 19425 7293 1 9 . 1 1 105 105 ALA C C 105 176.057 176.057 179.142 -3.085 19425 7294 1 9 . 1 1 105 105 ALA CA C 105 54.106 54.106 54.626 -0.520 19425 7295 1 9 . 1 1 105 105 ALA CB C 105 18.493 18.493 18.413 0.080 19425 7296 1 9 . 1 1 105 105 ALA H H 105 7.896 7.896 7.789 0.107 19425 7297 1 9 . 1 1 106 106 GLN N N 106 117.285 117.285 115.984 1.301 19425 7298 1 9 . 1 1 106 106 GLN C C 106 178.655 178.655 178.143 0.512 19425 7299 1 9 . 1 1 106 106 GLN CA C 106 56.913 56.913 56.997 -0.084 19425 7300 1 9 . 1 1 106 106 GLN CB C 106 29.148 29.148 29.360 -0.212 19425 7301 1 9 . 1 1 106 106 GLN H H 106 7.944 7.944 7.938 0.006 19425 7302 1 9 . 1 1 107 107 GLY N N 107 107.494 107.494 106.636 0.858 19425 7303 1 9 . 1 1 107 107 GLY C C 107 177.597 177.597 175.344 2.253 19425 7304 1 9 . 1 1 107 107 GLY CA C 107 45.975 45.975 45.729 0.246 19425 7305 1 9 . 1 1 107 107 GLY H H 107 7.852 7.852 7.789 0.063 19425 7306 1 9 . 1 1 108 108 GLY N N 108 109.642 109.642 110.845 -1.203 19425 7307 1 9 . 1 1 108 108 GLY C C 108 174.740 174.740 175.281 -0.541 19425 7308 1 9 . 1 1 108 108 GLY CA C 108 45.151 45.151 45.440 -0.289 19425 7309 1 9 . 1 1 108 108 GLY H H 108 8.313 8.313 8.315 -0.002 19425 7310 1 9 . 1 1 109 109 GLY N N 109 108.058 108.058 109.997 -1.939 19425 7311 1 9 . 1 1 109 109 GLY C C 109 174.313 174.313 172.573 1.740 19425 7312 1 9 . 1 1 109 109 GLY CA C 109 44.659 44.659 44.800 -0.141 19425 7313 1 9 . 1 1 109 109 GLY H H 109 8.059 8.059 8.006 0.053 19425 7314 1 9 . 1 1 110 110 HIS N N 110 118.432 118.432 114.987 3.445 19425 7315 1 9 . 1 1 110 110 HIS C C 110 173.348 173.348 173.641 -0.293 19425 7316 1 9 . 1 1 110 110 HIS CA C 110 55.590 55.590 54.909 0.681 19425 7317 1 9 . 1 1 110 110 HIS CB C 110 28.502 28.502 32.801 -4.299 19425 7318 1 9 . 1 1 110 110 HIS H H 110 8.261 8.261 8.153 0.108 19425 7319 1 9 . 1 1 111 111 ARG N N 111 122.052 122.052 117.906 4.146 19425 7320 1 9 . 1 1 111 111 ARG C C 111 174.908 174.908 174.620 0.288 19425 7321 1 9 . 1 1 111 111 ARG CA C 111 55.233 55.233 55.641 -0.408 19425 7322 1 9 . 1 1 111 111 ARG CB C 111 31.125 31.125 32.509 -1.384 19425 7323 1 9 . 1 1 111 111 ARG H H 111 8.597 8.597 8.785 -0.188 19425 7324 1 9 . 1 1 112 112 THR N N 112 120.248 120.248 117.489 2.759 19425 7325 1 9 . 1 1 112 112 THR C C 112 176.447 176.447 174.417 2.030 19425 7326 1 9 . 1 1 112 112 THR CA C 112 63.723 63.723 62.933 0.790 19425 7327 1 9 . 1 1 112 112 THR CB C 112 68.984 68.984 69.332 -0.348 19425 7328 1 9 . 1 1 112 112 THR H H 112 8.577 8.577 8.378 0.199 19425 7329 1 9 . 1 1 113 113 LEU N N 113 130.382 130.382 126.645 3.737 19425 7330 1 9 . 1 1 113 113 LEU C C 113 174.294 174.294 175.434 -1.140 19425 7331 1 9 . 1 1 113 113 LEU CA C 113 56.791 56.791 54.620 2.171 19425 7332 1 9 . 1 1 113 113 LEU CB C 113 41.705 41.705 42.610 -0.905 19425 7333 1 9 . 1 1 113 113 LEU H H 113 8.515 8.515 8.823 -0.308 19425 7334 1 9 . 1 1 114 114 LEU N N 114 118.829 118.829 122.177 -3.348 19425 7335 1 9 . 1 1 114 114 LEU C C 114 175.278 175.278 176.742 -1.464 19425 7336 1 9 . 1 1 114 114 LEU CA C 114 51.667 51.667 52.585 -0.918 19425 7337 1 9 . 1 1 114 114 LEU CB C 114 42.454 42.454 44.391 -1.937 19425 7338 1 9 . 1 1 114 114 LEU H H 114 6.454 6.454 8.008 -1.554 19425 7339 1 9 . 1 1 115 115 TYR N N 115 119.059 119.059 121.172 -2.113 19425 7340 1 9 . 1 1 115 115 TYR C C 115 177.152 177.152 177.490 -0.338 19425 7341 1 9 . 1 1 115 115 TYR CA C 115 62.452 62.452 60.653 1.799 19425 7342 1 9 . 1 1 115 115 TYR CB C 115 38.058 38.058 38.116 -0.058 19425 7343 1 9 . 1 1 115 115 TYR H H 115 8.797 8.797 8.735 0.062 19425 7344 1 9 . 1 1 116 116 GLY N N 116 115.795 115.795 113.013 2.782 19425 7345 1 9 . 1 1 116 116 GLY C C 116 178.061 178.061 174.014 4.047 19425 7346 1 9 . 1 1 116 116 GLY CA C 116 45.100 45.100 45.173 -0.073 19425 7347 1 9 . 1 1 116 116 GLY H H 116 9.672 9.672 9.173 0.499 19425 7348 1 9 . 1 1 117 117 HIS N N 117 122.193 122.193 121.643 0.550 19425 7349 1 9 . 1 1 117 117 HIS C C 117 175.463 175.463 173.844 1.619 19425 7350 1 9 . 1 1 117 117 HIS CA C 117 56.119 56.119 55.897 0.222 19425 7351 1 9 . 1 1 117 117 HIS CB C 117 32.293 32.293 30.250 2.043 19425 7352 1 9 . 1 1 117 117 HIS H H 117 8.113 8.113 7.760 0.353 19425 7353 1 9 . 1 1 118 118 ALA N N 118 120.893 120.893 126.573 -5.680 19425 7354 1 9 . 1 1 118 118 ALA C C 118 173.775 173.775 176.112 -2.337 19425 7355 1 9 . 1 1 118 118 ALA CA C 118 50.378 50.378 51.407 -1.029 19425 7356 1 9 . 1 1 118 118 ALA CB C 118 21.646 21.646 19.664 1.982 19425 7357 1 9 . 1 1 118 118 ALA H H 118 9.458 9.458 8.949 0.509 19425 7358 1 9 . 1 1 120 120 LEU N N 120 119.631 119.631 123.972 -4.341 19425 7359 1 9 . 1 1 120 120 LEU C C 120 173.367 173.367 174.725 -1.358 19425 7360 1 9 . 1 1 120 120 LEU CA C 120 56.217 56.217 52.900 3.317 19425 7361 1 9 . 1 1 120 120 LEU CB C 120 39.519 39.519 44.017 -4.498 19425 7362 1 9 . 1 1 120 120 LEU H H 120 8.746 8.746 8.274 0.472 19425 7363 1 9 . 1 1 121 121 LEU N N 121 118.900 118.900 127.069 -8.169 19425 7364 1 9 . 1 1 121 121 LEU C C 121 171.400 171.400 175.750 -4.350 19425 7365 1 9 . 1 1 121 121 LEU CA C 121 52.852 52.852 53.760 -0.908 19425 7366 1 9 . 1 1 121 121 LEU CB C 121 43.452 43.452 42.715 0.737 19425 7367 1 9 . 1 1 121 121 LEU H H 121 8.590 8.590 8.637 -0.047 19425 7368 1 9 . 1 1 122 122 ARG N N 122 123.588 123.588 125.028 -1.440 19425 7369 1 9 . 1 1 122 122 ARG C C 122 176.465 176.465 175.453 1.012 19425 7370 1 9 . 1 1 122 122 ARG CA C 122 54.403 54.403 54.010 0.393 19425 7371 1 9 . 1 1 122 122 ARG CB C 122 32.897 32.897 31.676 1.221 19425 7372 1 9 . 1 1 122 122 ARG H H 122 9.077 9.077 8.791 0.286 19425 7373 1 9 . 1 1 123 123 HIS N N 123 131.440 131.440 127.463 3.977 19425 7374 1 9 . 1 1 123 123 HIS C C 123 175.704 175.704 175.459 0.245 19425 7375 1 9 . 1 1 123 123 HIS CA C 123 56.637 56.637 56.804 -0.167 19425 7376 1 9 . 1 1 123 123 HIS CB C 123 31.261 31.261 30.039 1.222 19425 7377 1 9 . 1 1 123 123 HIS H H 123 9.622 9.622 8.448 1.174 19425 7378 1 9 . 1 1 124 124 SER N N 124 127.024 127.024 125.149 1.875 19425 7379 1 9 . 1 1 124 124 SER C C 124 175.686 175.686 175.471 0.215 19425 7380 1 9 . 1 1 124 124 SER CA C 124 62.010 62.010 61.454 0.556 19425 7381 1 9 . 1 1 124 124 SER CB C 124 62.912 62.912 62.937 -0.025 19425 7382 1 9 . 1 1 124 124 SER H H 124 7.840 7.840 7.786 0.054 19425 7383 1 9 . 1 1 125 125 TYR N N 125 119.708 119.708 120.251 -0.543 19425 7384 1 9 . 1 1 125 125 TYR C C 125 180.696 180.696 176.791 3.905 19425 7385 1 9 . 1 1 125 125 TYR CA C 125 60.903 60.903 60.853 0.050 19425 7386 1 9 . 1 1 125 125 TYR CB C 125 38.744 38.744 38.472 0.272 19425 7387 1 9 . 1 1 125 125 TYR H H 125 8.746 8.746 7.625 1.121 19425 7388 1 9 . 1 1 126 126 SER N N 126 110.333 110.333 112.679 -2.346 19425 7389 1 9 . 1 1 126 126 SER C C 126 176.543 176.543 176.145 0.398 19425 7390 1 9 . 1 1 126 126 SER CA C 126 59.366 59.366 59.915 -0.549 19425 7391 1 9 . 1 1 126 126 SER CB C 126 65.282 65.282 64.492 0.790 19425 7392 1 9 . 1 1 126 126 SER H H 126 7.004 7.004 8.092 -1.088 19425 7393 1 9 . 1 1 127 127 GLY N N 127 113.322 113.322 109.744 3.578 19425 7394 1 9 . 1 1 127 127 GLY C C 127 176.428 176.428 174.518 1.910 19425 7395 1 9 . 1 1 127 127 GLY CA C 127 46.064 46.064 45.087 0.977 19425 7396 1 9 . 1 1 127 127 GLY H H 127 8.181 8.181 8.396 -0.215 19425 7397 1 9 . 1 1 128 128 MET N N 128 118.598 118.598 119.844 -1.246 19425 7398 1 9 . 1 1 128 128 MET C C 128 173.200 173.200 175.127 -1.927 19425 7399 1 9 . 1 1 128 128 MET CA C 128 55.429 55.429 56.725 -1.296 19425 7400 1 9 . 1 1 128 128 MET CB C 128 35.988 35.988 33.946 2.042 19425 7401 1 9 . 1 1 128 128 MET H H 128 7.551 7.551 7.525 0.026 19425 7402 1 9 . 1 1 129 129 TYR N N 129 116.715 116.715 114.324 2.391 19425 7403 1 9 . 1 1 129 129 TYR C C 129 172.884 172.884 175.788 -2.904 19425 7404 1 9 . 1 1 129 129 TYR CA C 129 58.658 58.658 57.146 1.512 19425 7405 1 9 . 1 1 129 129 TYR CB C 129 40.914 40.914 41.269 -0.355 19425 7406 1 9 . 1 1 129 129 TYR H H 129 8.923 8.923 8.425 0.498 19425 7407 1 9 . 1 1 130 130 LEU N N 130 123.061 123.061 124.744 -1.683 19425 7408 1 9 . 1 1 130 130 LEU C C 130 176.677 176.677 176.485 0.192 19425 7409 1 9 . 1 1 130 130 LEU CA C 130 56.311 56.311 56.317 -0.006 19425 7410 1 9 . 1 1 130 130 LEU CB C 130 42.909 42.909 42.324 0.585 19425 7411 1 9 . 1 1 130 130 LEU H H 130 8.236 8.236 8.981 -0.745 19425 7412 1 9 . 1 1 131 131 CYS N N 131 126.618 126.618 127.355 -0.737 19425 7413 1 9 . 1 1 131 131 CYS C C 131 177.616 177.616 173.182 4.434 19425 7414 1 9 . 1 1 131 131 CYS CA C 131 57.028 57.028 57.259 -0.231 19425 7415 1 9 . 1 1 131 131 CYS CB C 131 32.339 32.339 31.152 1.187 19425 7416 1 9 . 1 1 131 131 CYS H H 131 9.516 9.516 9.473 0.043 19425 7417 1 9 . 1 1 132 132 CYS N N 132 124.860 124.860 127.886 -3.026 19425 7418 1 9 . 1 1 132 132 CYS C C 132 172.309 172.309 174.318 -2.009 19425 7419 1 9 . 1 1 132 132 CYS CA C 132 59.436 59.436 58.436 1.000 19425 7420 1 9 . 1 1 132 132 CYS CB C 132 27.383 27.383 27.149 0.234 19425 7421 1 9 . 1 1 132 132 CYS H H 132 8.142 8.142 8.171 -0.029 19425 7422 1 9 . 1 1 133 133 LEU N N 133 131.382 131.382 128.653 2.729 19425 7423 1 9 . 1 1 133 133 LEU C C 133 174.035 174.035 177.898 -3.863 19425 7424 1 9 . 1 1 133 133 LEU CA C 133 54.799 54.799 54.477 0.322 19425 7425 1 9 . 1 1 133 133 LEU CB C 133 41.109 41.109 42.603 -1.494 19425 7426 1 9 . 1 1 133 133 LEU H H 133 9.008 9.008 8.345 0.663 19425 7427 1 9 . 1 1 134 134 SER N N 134 112.103 112.103 114.678 -2.575 19425 7428 1 9 . 1 1 134 134 SER C C 134 175.519 175.519 174.174 1.345 19425 7429 1 9 . 1 1 134 134 SER CA C 134 58.320 58.320 58.502 -0.182 19425 7430 1 9 . 1 1 134 134 SER CB C 134 63.979 63.979 62.780 1.199 19425 7431 1 9 . 1 1 134 134 SER H H 134 8.229 8.229 8.377 -0.148 19425 7432 1 9 . 1 1 135 135 THR N N 135 111.693 111.693 112.212 -0.519 19425 7433 1 9 . 1 1 135 135 THR C C 135 174.535 174.535 175.033 -0.498 19425 7434 1 9 . 1 1 135 135 THR CA C 135 60.703 60.703 61.270 -0.567 19425 7435 1 9 . 1 1 135 135 THR CB C 135 70.624 70.624 70.137 0.487 19425 7436 1 9 . 1 1 135 135 THR H H 135 7.292 7.292 7.327 -0.035 19425 7437 1 9 . 1 1 136 136 SER N N 136 117.260 117.260 121.454 -4.194 19425 7438 1 9 . 1 1 136 136 SER C C 136 173.478 173.478 174.330 -0.852 19425 7439 1 9 . 1 1 136 136 SER CA C 136 57.537 57.537 60.927 -3.390 19425 7440 1 9 . 1 1 136 136 SER CB C 136 64.593 64.593 63.519 1.075 19425 7441 1 9 . 1 1 136 136 SER H H 136 8.544 8.544 9.036 -0.492 19425 7442 1 9 . 1 1 137 137 ARG N N 137 124.804 124.804 117.126 7.678 19425 7443 1 9 . 1 1 137 137 ARG C C 137 175.000 175.000 175.203 -0.203 19425 7444 1 9 . 1 1 137 137 ARG CA C 137 56.922 56.922 55.411 1.510 19425 7445 1 9 . 1 1 137 137 ARG CB C 137 30.733 30.733 30.563 0.170 19425 7446 1 9 . 1 1 137 137 ARG H H 137 9.231 9.231 7.660 1.571 19425 7447 1 9 . 1 1 138 138 SER N N 138 126.225 126.225 114.771 11.454 19425 7448 1 9 . 1 1 138 138 SER C C 138 175.871 175.871 174.101 1.770 19425 7449 1 9 . 1 1 138 138 SER CA C 138 61.891 61.891 59.975 1.916 19425 7450 1 9 . 1 1 138 138 SER CB C 138 62.730 62.730 62.286 0.444 19425 7451 1 9 . 1 1 138 138 SER H H 138 7.891 7.891 8.671 -0.780 19425 7452 1 9 . 1 1 140 140 THR N N 140 114.799 114.799 118.032 -3.233 19425 7453 1 9 . 1 1 140 140 THR C C 140 173.756 173.756 174.562 -0.806 19425 7454 1 9 . 1 1 140 140 THR CA C 140 62.895 62.895 62.837 0.058 19425 7455 1 9 . 1 1 140 140 THR CB C 140 69.332 69.332 69.513 -0.181 19425 7456 1 9 . 1 1 140 140 THR H H 140 8.168 8.168 8.256 -0.088 19425 7457 1 9 . 1 1 141 141 ASP N N 141 121.772 121.772 121.037 0.735 19425 7458 1 9 . 1 1 141 141 ASP C C 141 174.795 174.795 175.216 -0.421 19425 7459 1 9 . 1 1 141 141 ASP CA C 141 54.001 54.001 54.581 -0.580 19425 7460 1 9 . 1 1 141 141 ASP CB C 141 40.914 40.914 41.501 -0.587 19425 7461 1 9 . 1 1 141 141 ASP H H 141 8.049 8.049 8.530 -0.481 19425 7462 1 9 . 1 1 142 142 LYS N N 142 121.585 121.585 121.588 -0.003 19425 7463 1 9 . 1 1 142 142 LYS C C 142 176.274 176.274 176.292 -0.018 19425 7464 1 9 . 1 1 142 142 LYS CA C 142 57.106 57.106 55.411 1.695 19425 7465 1 9 . 1 1 142 142 LYS CB C 142 31.369 31.369 34.165 -2.796 19425 7466 1 9 . 1 1 142 142 LYS H H 142 8.376 8.376 8.182 0.194 19425 7467 1 9 . 1 1 143 143 LEU N N 143 119.604 119.604 121.349 -1.745 19425 7468 1 9 . 1 1 143 143 LEU C C 143 176.798 176.798 177.604 -0.806 19425 7469 1 9 . 1 1 143 143 LEU CA C 143 55.261 55.261 57.559 -2.298 19425 7470 1 9 . 1 1 143 143 LEU CB C 143 41.487 41.487 41.253 0.234 19425 7471 1 9 . 1 1 143 143 LEU H H 143 8.262 8.262 8.597 -0.335 19425 7472 1 9 . 1 1 144 144 ALA N N 144 123.881 123.881 117.135 6.746 19425 7473 1 9 . 1 1 144 144 ALA C C 144 176.410 176.410 176.897 -0.487 19425 7474 1 9 . 1 1 144 144 ALA CA C 144 51.335 51.335 51.204 0.131 19425 7475 1 9 . 1 1 144 144 ALA CB C 144 20.924 20.924 20.187 0.737 19425 7476 1 9 . 1 1 144 144 ALA H H 144 7.614 7.614 7.561 0.053 19425 7477 1 9 . 1 1 145 145 PHE N N 145 120.083 120.083 118.200 1.883 19425 7478 1 9 . 1 1 145 145 PHE C C 145 176.948 176.948 175.593 1.355 19425 7479 1 9 . 1 1 145 145 PHE CA C 145 55.872 55.872 56.499 -0.627 19425 7480 1 9 . 1 1 145 145 PHE CB C 145 42.468 42.468 41.158 1.310 19425 7481 1 9 . 1 1 145 145 PHE H H 145 8.647 8.647 8.643 0.004 19425 7482 1 9 . 1 1 146 146 ASP N N 146 119.893 119.893 120.212 -0.319 19425 7483 1 9 . 1 1 146 146 ASP C C 146 175.519 175.519 174.402 1.117 19425 7484 1 9 . 1 1 146 146 ASP CA C 146 54.679 54.679 54.463 0.216 19425 7485 1 9 . 1 1 146 146 ASP CB C 146 42.169 42.169 42.880 -0.711 19425 7486 1 9 . 1 1 146 146 ASP H H 146 8.692 8.692 8.968 -0.276 19425 7487 1 9 . 1 1 147 147 VAL N N 147 118.800 118.800 121.722 -2.922 19425 7488 1 9 . 1 1 147 147 VAL C C 147 174.053 174.053 175.634 -1.581 19425 7489 1 9 . 1 1 147 147 VAL CA C 147 60.671 60.671 61.321 -0.650 19425 7490 1 9 . 1 1 147 147 VAL CB C 147 35.326 35.326 33.383 1.943 19425 7491 1 9 . 1 1 147 147 VAL H H 147 8.224 8.224 8.600 -0.376 19425 7492 1 9 . 1 1 148 148 GLY N N 148 113.226 113.226 114.278 -1.052 19425 7493 1 9 . 1 1 148 148 GLY C C 148 175.141 175.141 172.109 3.032 19425 7494 1 9 . 1 1 148 148 GLY CA C 148 45.384 45.384 44.248 1.136 19425 7495 1 9 . 1 1 148 148 GLY H H 148 8.594 8.594 8.968 -0.374 19425 7496 1 9 . 1 1 149 149 LEU N N 149 120.880 120.880 119.749 1.131 19425 7497 1 9 . 1 1 149 149 LEU C C 149 170.973 170.973 175.054 -4.081 19425 7498 1 9 . 1 1 149 149 LEU CA C 149 53.299 53.299 53.646 -0.347 19425 7499 1 9 . 1 1 149 149 LEU CB C 149 43.938 43.938 45.428 -1.490 19425 7500 1 9 . 1 1 149 149 LEU H H 149 8.303 8.303 8.089 0.214 19425 7501 1 9 . 1 1 150 150 GLN N N 150 118.978 118.978 120.118 -1.140 19425 7502 1 9 . 1 1 150 150 GLN C C 150 177.133 177.133 175.850 1.283 19425 7503 1 9 . 1 1 150 150 GLN CA C 150 54.723 54.723 54.977 -0.254 19425 7504 1 9 . 1 1 150 150 GLN CB C 150 32.690 32.690 32.278 0.412 19425 7505 1 9 . 1 1 150 150 GLN H H 150 9.115 9.115 8.543 0.572 19425 7506 1 9 . 1 1 151 151 GLU N N 151 121.344 121.344 125.279 -3.935 19425 7507 1 9 . 1 1 151 151 GLU C C 151 175.333 175.333 176.106 -0.773 19425 7508 1 9 . 1 1 151 151 GLU CA C 151 59.140 59.140 58.885 0.255 19425 7509 1 9 . 1 1 151 151 GLU CB C 151 30.735 30.735 29.541 1.194 19425 7510 1 9 . 1 1 151 151 GLU H H 151 9.142 9.142 8.905 0.237 19425 7511 1 9 . 1 1 152 152 ASP N N 152 117.494 117.494 117.704 -0.210 19425 7512 1 9 . 1 1 152 152 ASP C C 152 176.391 176.391 175.884 0.507 19425 7513 1 9 . 1 1 152 152 ASP CA C 152 54.139 54.139 54.483 -0.344 19425 7514 1 9 . 1 1 152 152 ASP CB C 152 41.920 41.920 41.480 0.440 19425 7515 1 9 . 1 1 152 152 ASP H H 152 8.023 8.023 8.179 -0.156 19425 7516 1 9 . 1 1 153 153 THR N N 153 111.969 111.969 106.353 5.616 19425 7517 1 9 . 1 1 153 153 THR C C 153 175.964 175.964 174.725 1.239 19425 7518 1 9 . 1 1 153 153 THR CA C 153 61.894 61.894 62.047 -0.153 19425 7519 1 9 . 1 1 153 153 THR CB C 153 68.903 68.903 69.180 -0.277 19425 7520 1 9 . 1 1 153 153 THR H H 153 7.985 7.985 7.997 -0.012 19425 7521 1 9 . 1 1 154 154 THR N N 154 113.978 113.978 113.695 0.283 19425 7522 1 9 . 1 1 154 154 THR C C 154 175.000 175.000 175.088 -0.088 19425 7523 1 9 . 1 1 154 154 THR CA C 154 62.359 62.359 63.389 -1.030 19425 7524 1 9 . 1 1 154 154 THR CB C 154 69.210 69.210 68.554 0.656 19425 7525 1 9 . 1 1 154 154 THR H H 154 7.790 7.790 7.614 0.176 19425 7526 1 9 . 1 1 155 155 GLY N N 155 108.411 108.411 114.337 -5.926 19425 7527 1 9 . 1 1 155 155 GLY C C 155 174.702 174.702 172.410 2.292 19425 7528 1 9 . 1 1 155 155 GLY CA C 155 44.737 44.737 44.815 -0.078 19425 7529 1 9 . 1 1 155 155 GLY H H 155 7.639 7.639 7.944 -0.305 19425 7530 1 9 . 1 1 156 156 GLU N N 156 118.666 118.666 120.424 -1.758 19425 7531 1 9 . 1 1 156 156 GLU C C 156 173.571 173.571 177.877 -4.306 19425 7532 1 9 . 1 1 156 156 GLU CA C 156 59.352 59.352 57.105 2.248 19425 7533 1 9 . 1 1 156 156 GLU CB C 156 31.248 31.248 30.451 0.797 19425 7534 1 9 . 1 1 156 156 GLU H H 156 8.606 8.606 8.708 -0.102 19425 7535 1 9 . 1 1 157 157 ALA N N 157 118.664 118.664 123.517 -4.853 19425 7536 1 9 . 1 1 157 157 ALA C C 157 177.727 177.727 178.479 -0.752 19425 7537 1 9 . 1 1 157 157 ALA CA C 157 55.063 55.063 54.766 0.297 19425 7538 1 9 . 1 1 157 157 ALA CB C 157 18.856 18.856 18.026 0.830 19425 7539 1 9 . 1 1 157 157 ALA H H 157 8.159 8.159 8.521 -0.362 19425 7540 1 9 . 1 1 158 158 CYS N N 158 114.681 114.681 114.935 -0.254 19425 7541 1 9 . 1 1 158 158 CYS C C 158 179.972 179.972 173.728 6.244 19425 7542 1 9 . 1 1 158 158 CYS CA C 158 57.585 57.585 59.454 -1.869 19425 7543 1 9 . 1 1 158 158 CYS CB C 158 27.977 27.977 26.639 1.338 19425 7544 1 9 . 1 1 158 158 CYS H H 158 7.973 7.973 8.248 -0.275 19425 7545 1 9 . 1 1 165 165 ALA N N 165 122.416 122.416 128.178 -5.762 19425 7546 1 9 . 1 1 165 165 ALA C C 165 176.743 176.743 177.728 -0.985 19425 7547 1 9 . 1 1 165 165 ALA CA C 165 52.390 52.390 53.850 -1.460 19425 7548 1 9 . 1 1 165 165 ALA CB C 165 20.486 20.486 19.333 1.153 19425 7549 1 9 . 1 1 165 165 ALA H H 165 8.190 8.190 8.603 -0.413 19425 7550 1 9 . 1 1 166 166 SER N N 166 111.681 111.681 113.045 -1.364 19425 7551 1 9 . 1 1 166 166 SER C C 166 176.876 176.876 173.999 2.877 19425 7552 1 9 . 1 1 166 166 SER CA C 166 56.863 56.863 56.765 0.098 19425 7553 1 9 . 1 1 166 166 SER CB C 166 65.738 65.738 64.792 0.946 19425 7554 1 9 . 1 1 166 166 SER H H 166 7.690 7.690 7.751 -0.061 19425 7555 1 9 . 1 1 167 167 LYS N N 167 121.655 121.655 119.009 2.646 19425 7556 1 9 . 1 1 167 167 LYS C C 167 175.241 175.241 176.271 -1.030 19425 7557 1 9 . 1 1 167 167 LYS CA C 167 55.297 55.297 57.115 -1.818 19425 7558 1 9 . 1 1 167 167 LYS CB C 167 31.364 31.364 32.321 -0.957 19425 7559 1 9 . 1 1 167 167 LYS H H 167 8.230 8.230 8.518 -0.288 19425 7560 1 9 . 1 1 168 168 GLN N N 168 117.832 117.832 117.871 -0.039 19425 7561 1 9 . 1 1 168 168 GLN C C 168 176.836 176.836 175.964 0.872 19425 7562 1 9 . 1 1 168 168 GLN CA C 168 57.366 57.366 56.302 1.064 19425 7563 1 9 . 1 1 168 168 GLN CB C 168 28.979 28.979 29.139 -0.160 19425 7564 1 9 . 1 1 168 168 GLN H H 168 8.134 8.134 8.236 -0.102 19425 7565 1 9 . 1 1 169 169 ARG N N 169 117.052 117.052 119.545 -2.493 19425 7566 1 9 . 1 1 169 169 ARG C C 169 175.946 175.946 174.940 1.006 19425 7567 1 9 . 1 1 169 169 ARG CA C 169 52.885 52.885 54.464 -1.579 19425 7568 1 9 . 1 1 169 169 ARG CB C 169 32.795 32.795 31.373 1.421 19425 7569 1 9 . 1 1 169 169 ARG H H 169 7.209 7.209 7.856 -0.647 19425 7570 1 9 . 1 1 170 170 SER N N 170 114.335 114.335 114.745 -0.410 19425 7571 1 9 . 1 1 170 170 SER C C 170 174.387 174.387 173.460 0.927 19425 7572 1 9 . 1 1 170 170 SER CA C 170 56.976 56.976 56.611 0.365 19425 7573 1 9 . 1 1 170 170 SER CB C 170 66.348 66.348 66.305 0.043 19425 7574 1 9 . 1 1 170 170 SER H H 170 8.279 8.279 8.424 -0.145 19425 7575 1 9 . 1 1 171 171 GLU N N 171 121.428 121.428 122.037 -0.609 19425 7576 1 9 . 1 1 171 171 GLU C C 171 173.293 173.293 176.955 -3.662 19425 7577 1 9 . 1 1 171 171 GLU CA C 171 58.658 58.658 57.474 1.184 19425 7578 1 9 . 1 1 171 171 GLU CB C 171 28.693 28.693 28.560 0.133 19425 7579 1 9 . 1 1 171 171 GLU H H 171 8.540 8.540 8.620 -0.080 19425 7580 1 9 . 1 1 172 172 GLY N N 172 113.162 113.162 115.258 -2.096 19425 7581 1 9 . 1 1 172 172 GLY C C 172 177.504 177.504 174.217 3.287 19425 7582 1 9 . 1 1 172 172 GLY CA C 172 45.452 45.452 45.056 0.396 19425 7583 1 9 . 1 1 172 172 GLY H H 172 8.676 8.676 9.042 -0.366 19425 7584 1 9 . 1 1 173 173 GLU N N 173 119.545 119.545 121.203 -1.658 19425 7585 1 9 . 1 1 173 173 GLU C C 173 173.311 173.311 176.094 -2.783 19425 7586 1 9 . 1 1 173 173 GLU CA C 173 55.689 55.689 56.317 -0.628 19425 7587 1 9 . 1 1 173 173 GLU CB C 173 31.204 31.204 30.896 0.308 19425 7588 1 9 . 1 1 173 173 GLU H H 173 7.805 7.805 7.819 -0.014 19425 7589 1 9 . 1 1 174 174 LYS N N 174 120.834 120.834 120.977 -0.143 19425 7590 1 9 . 1 1 174 174 LYS C C 174 175.352 175.352 176.838 -1.486 19425 7591 1 9 . 1 1 174 174 LYS CA C 174 57.207 57.207 56.944 0.263 19425 7592 1 9 . 1 1 174 174 LYS CB C 174 34.185 34.185 32.917 1.268 19425 7593 1 9 . 1 1 174 174 LYS H H 174 8.215 8.215 8.505 -0.290 19425 7594 1 9 . 1 1 175 175 VAL N N 175 122.529 122.529 124.408 -1.879 19425 7595 1 9 . 1 1 175 175 VAL C C 175 176.595 176.595 175.258 1.337 19425 7596 1 9 . 1 1 175 175 VAL CA C 175 63.046 63.046 61.950 1.096 19425 7597 1 9 . 1 1 175 175 VAL CB C 175 31.265 31.265 31.948 -0.683 19425 7598 1 9 . 1 1 175 175 VAL H H 175 7.914 7.914 8.529 -0.615 19425 7599 1 9 . 1 1 176 176 ARG N N 176 127.622 127.622 127.559 0.063 19425 7600 1 9 . 1 1 176 176 ARG C C 176 175.742 175.742 176.891 -1.149 19425 7601 1 9 . 1 1 176 176 ARG CA C 176 55.767 55.767 54.754 1.013 19425 7602 1 9 . 1 1 176 176 ARG CB C 176 30.480 30.480 31.412 -0.932 19425 7603 1 9 . 1 1 176 176 ARG H H 176 7.570 7.570 8.452 -0.882 19425 7604 1 9 . 1 1 177 177 VAL N N 177 122.521 122.521 122.539 -0.018 19425 7605 1 9 . 1 1 177 177 VAL C C 177 177.523 177.523 177.109 0.414 19425 7606 1 9 . 1 1 177 177 VAL CA C 177 65.322 65.322 64.521 0.801 19425 7607 1 9 . 1 1 177 177 VAL CB C 177 31.431 31.431 31.344 0.087 19425 7608 1 9 . 1 1 177 177 VAL H H 177 8.276 8.276 7.957 0.319 19425 7609 1 9 . 1 1 179 179 ASP N N 179 122.577 122.577 123.538 -0.961 19425 7610 1 9 . 1 1 179 179 ASP C C 179 174.554 174.554 175.926 -1.372 19425 7611 1 9 . 1 1 179 179 ASP CA C 179 54.687 54.687 55.104 -0.417 19425 7612 1 9 . 1 1 179 179 ASP CB C 179 40.417 40.417 41.440 -1.023 19425 7613 1 9 . 1 1 179 179 ASP H H 179 7.848 7.848 7.951 -0.103 19425 7614 1 9 . 1 1 180 180 ASP N N 180 121.916 121.916 124.121 -2.205 19425 7615 1 9 . 1 1 180 180 ASP C C 180 174.610 174.610 176.054 -1.444 19425 7616 1 9 . 1 1 180 180 ASP CA C 180 54.379 54.379 55.191 -0.812 19425 7617 1 9 . 1 1 180 180 ASP CB C 180 42.178 42.178 40.848 1.330 19425 7618 1 9 . 1 1 180 180 ASP H H 180 8.521 8.521 8.526 -0.005 19425 7619 1 9 . 1 1 181 181 LEU N N 181 121.499 121.499 123.394 -1.895 19425 7620 1 9 . 1 1 181 181 LEU C C 181 175.166 175.166 176.844 -1.678 19425 7621 1 9 . 1 1 181 181 LEU CA C 181 54.379 54.379 53.760 0.619 19425 7622 1 9 . 1 1 181 181 LEU CB C 181 45.395 45.395 44.289 1.106 19425 7623 1 9 . 1 1 181 181 LEU H H 181 9.782 9.782 9.029 0.753 19425 7624 1 9 . 1 1 185 185 SER N N 185 122.939 122.939 122.995 -0.056 19425 7625 1 9 . 1 1 185 185 SER C C 185 175.871 175.871 175.490 0.381 19425 7626 1 9 . 1 1 185 185 SER CA C 185 57.514 57.514 58.637 -1.123 19425 7627 1 9 . 1 1 185 185 SER CB C 185 62.772 62.772 63.264 -0.492 19425 7628 1 9 . 1 1 185 185 SER H H 185 9.183 9.183 8.995 0.188 19425 7629 1 9 . 1 1 186 186 VAL N N 186 131.799 131.799 127.050 4.749 19425 7630 1 9 . 1 1 186 186 VAL C C 186 177.226 177.226 177.411 -0.185 19425 7631 1 9 . 1 1 186 186 VAL CA C 186 65.883 65.883 65.792 0.091 19425 7632 1 9 . 1 1 186 186 VAL CB C 186 31.190 31.190 31.537 -0.346 19425 7633 1 9 . 1 1 186 186 VAL H H 186 8.285 8.285 8.357 -0.072 19425 7634 1 9 . 1 1 187 187 SER N N 187 110.228 110.228 113.878 -3.650 19425 7635 1 9 . 1 1 187 187 SER C C 187 177.077 177.077 175.000 2.077 19425 7636 1 9 . 1 1 187 187 SER CA C 187 60.200 60.200 60.261 -0.061 19425 7637 1 9 . 1 1 187 187 SER CB C 187 62.264 62.264 63.594 -1.330 19425 7638 1 9 . 1 1 187 187 SER H H 187 7.000 7.000 7.772 -0.772 19425 7639 1 9 . 1 1 188 188 SER N N 188 115.022 115.022 114.691 0.331 19425 7640 1 9 . 1 1 188 188 SER C C 188 176.632 176.632 173.539 3.093 19425 7641 1 9 . 1 1 188 188 SER CA C 188 58.889 58.889 57.882 1.007 19425 7642 1 9 . 1 1 188 188 SER CB C 188 66.818 66.818 63.906 2.912 19425 7643 1 9 . 1 1 188 188 SER H H 188 7.886 7.886 7.895 -0.009 19425 7644 1 9 . 1 1 189 189 GLU N N 189 118.477 118.477 118.824 -0.347 19425 7645 1 9 . 1 1 189 189 GLU C C 189 175.000 175.000 174.782 0.218 19425 7646 1 9 . 1 1 189 189 GLU CA C 189 58.562 58.562 57.995 0.567 19425 7647 1 9 . 1 1 189 189 GLU CB C 189 27.420 27.420 27.267 0.153 19425 7648 1 9 . 1 1 189 189 GLU H H 189 7.929 7.929 8.388 -0.459 19425 7649 1 9 . 1 1 190 190 ARG N N 190 116.828 116.828 117.486 -0.658 19425 7650 1 9 . 1 1 190 190 ARG C C 190 173.868 173.868 175.873 -2.005 19425 7651 1 9 . 1 1 190 190 ARG CA C 190 54.238 54.238 54.588 -0.350 19425 7652 1 9 . 1 1 190 190 ARG CB C 190 32.141 32.141 32.950 -0.809 19425 7653 1 9 . 1 1 190 190 ARG H H 190 6.723 6.723 8.025 -1.302 19425 7654 1 9 . 1 1 191 191 TYR N N 191 118.733 118.733 121.030 -2.297 19425 7655 1 9 . 1 1 191 191 TYR C C 191 174.368 174.368 177.360 -2.992 19425 7656 1 9 . 1 1 191 191 TYR CA C 191 57.405 57.405 58.625 -1.220 19425 7657 1 9 . 1 1 191 191 TYR CB C 191 39.444 39.444 39.477 -0.033 19425 7658 1 9 . 1 1 191 191 TYR H H 191 8.912 8.912 9.009 -0.097 19425 7659 1 9 . 1 1 192 192 LEU N N 192 123.460 123.460 124.591 -1.131 19425 7660 1 9 . 1 1 192 192 LEU C C 192 176.753 176.753 176.081 0.672 19425 7661 1 9 . 1 1 192 192 LEU CA C 192 57.061 57.061 54.192 2.869 19425 7662 1 9 . 1 1 192 192 LEU CB C 192 41.351 41.351 40.590 0.761 19425 7663 1 9 . 1 1 192 192 LEU H H 192 8.836 8.836 8.896 -0.060 19425 7664 1 9 . 1 1 193 193 HIS N N 193 134.195 134.195 125.238 8.957 19425 7665 1 9 . 1 1 193 193 HIS C C 193 178.766 178.766 174.448 4.318 19425 7666 1 9 . 1 1 193 193 HIS CA C 193 56.349 56.349 56.082 0.267 19425 7667 1 9 . 1 1 193 193 HIS CB C 193 31.613 31.613 31.868 -0.255 19425 7668 1 9 . 1 1 193 193 HIS H H 193 10.227 10.227 8.903 1.324 19425 7669 1 9 . 1 1 194 194 LEU N N 194 128.500 128.500 126.976 1.524 19425 7670 1 9 . 1 1 194 194 LEU C C 194 170.268 170.268 175.205 -4.937 19425 7671 1 9 . 1 1 194 194 LEU CA C 194 54.139 54.139 53.619 0.520 19425 7672 1 9 . 1 1 194 194 LEU CB C 194 44.036 44.036 43.795 0.241 19425 7673 1 9 . 1 1 194 194 LEU H H 194 7.784 7.784 7.543 0.241 19425 7674 1 9 . 1 1 195 195 SER N N 195 122.195 122.195 122.375 -0.180 19425 7675 1 9 . 1 1 195 195 SER C C 195 174.740 174.740 173.537 1.203 19425 7676 1 9 . 1 1 195 195 SER CA C 195 56.814 56.814 57.028 -0.214 19425 7677 1 9 . 1 1 195 195 SER CB C 195 66.260 66.260 65.947 0.313 19425 7678 1 9 . 1 1 195 195 SER H H 195 9.042 9.042 8.916 0.126 19425 7679 1 9 . 1 1 196 196 TYR N N 196 124.809 124.809 125.839 -1.030 19425 7680 1 9 . 1 1 196 196 TYR C C 196 172.439 172.439 175.738 -3.299 19425 7681 1 9 . 1 1 196 196 TYR CA C 196 57.019 57.019 56.747 0.272 19425 7682 1 9 . 1 1 196 196 TYR CB C 196 39.817 39.817 38.218 1.599 19425 7683 1 9 . 1 1 196 196 TYR H H 196 8.657 8.657 8.868 -0.211 19425 7684 1 9 . 1 1 197 197 GLY N N 197 114.111 114.111 115.060 -0.949 19425 7685 1 9 . 1 1 197 197 GLY C C 197 176.113 176.113 174.205 1.908 19425 7686 1 9 . 1 1 197 197 GLY CA C 197 45.492 45.492 44.228 1.264 19425 7687 1 9 . 1 1 197 197 GLY H H 197 8.030 8.030 8.122 -0.092 19425 7688 1 9 . 1 1 200 200 SER N N 200 113.158 113.158 115.607 -2.449 19425 7689 1 9 . 1 1 200 200 SER C C 200 172.661 172.661 171.818 0.843 19425 7690 1 9 . 1 1 200 200 SER CA C 200 56.890 56.890 57.215 -0.325 19425 7691 1 9 . 1 1 200 200 SER CB C 200 65.522 65.522 64.746 0.776 19425 7692 1 9 . 1 1 200 200 SER H H 200 6.893 6.893 7.459 -0.566 19425 7693 1 9 . 1 1 201 201 TRP N N 201 122.521 122.521 120.039 2.482 19425 7694 1 9 . 1 1 201 201 TRP C C 201 171.813 171.813 175.841 -4.028 19425 7695 1 9 . 1 1 201 201 TRP CA C 201 56.990 56.990 56.107 0.883 19425 7696 1 9 . 1 1 201 201 TRP CB C 201 31.501 31.501 32.063 -0.562 19425 7697 1 9 . 1 1 201 201 TRP H H 201 8.243 8.243 8.190 0.053 19425 7698 1 9 . 1 1 202 202 HIS N N 202 121.171 121.171 118.445 2.726 19425 7699 1 9 . 1 1 202 202 HIS C C 202 173.805 173.805 173.289 0.516 19425 7700 1 9 . 1 1 202 202 HIS CA C 202 55.169 55.169 54.958 0.211 19425 7701 1 9 . 1 1 202 202 HIS CB C 202 32.254 32.254 34.540 -2.286 19425 7702 1 9 . 1 1 202 202 HIS H H 202 9.383 9.383 9.439 -0.056 19425 7703 1 9 . 1 1 203 203 VAL N N 203 119.943 119.943 120.400 -0.457 19425 7704 1 9 . 1 1 203 203 VAL C C 203 172.439 172.439 174.059 -1.620 19425 7705 1 9 . 1 1 203 203 VAL CA C 203 58.683 58.683 59.822 -1.139 19425 7706 1 9 . 1 1 203 203 VAL CB C 203 33.957 33.957 34.268 -0.311 19425 7707 1 9 . 1 1 203 203 VAL H H 203 8.649 8.649 8.853 -0.204 19425 7708 1 9 . 1 1 204 204 ASP N N 204 127.907 127.907 126.790 1.117 19425 7709 1 9 . 1 1 204 204 ASP C C 204 173.162 173.162 173.720 -0.558 19425 7710 1 9 . 1 1 204 204 ASP CA C 204 53.545 53.545 52.710 0.835 19425 7711 1 9 . 1 1 204 204 ASP CB C 204 42.169 42.169 44.351 -2.182 19425 7712 1 9 . 1 1 204 204 ASP H H 204 9.822 9.822 8.928 0.894 19425 7713 1 9 . 1 1 205 205 ALA N N 205 121.047 121.047 121.028 0.019 19425 7714 1 9 . 1 1 205 205 ALA C C 205 172.754 172.754 176.217 -3.463 19425 7715 1 9 . 1 1 205 205 ALA CA C 205 50.147 50.147 50.570 -0.423 19425 7716 1 9 . 1 1 205 205 ALA CB C 205 19.642 19.642 19.491 0.151 19425 7717 1 9 . 1 1 205 205 ALA H H 205 9.176 9.176 8.327 0.849 19425 7718 1 9 . 1 1 206 206 ALA N N 206 127.318 127.318 125.606 1.712 19425 7719 1 9 . 1 1 206 206 ALA C C 206 176.465 176.465 176.166 0.299 19425 7720 1 9 . 1 1 206 206 ALA CA C 206 50.609 50.609 50.820 -0.211 19425 7721 1 9 . 1 1 206 206 ALA CB C 206 23.819 23.819 21.693 2.126 19425 7722 1 9 . 1 1 206 206 ALA H H 206 9.088 9.088 8.045 1.043 19425 7723 1 9 . 1 1 207 207 PHE N N 207 117.878 117.878 117.096 0.782 19425 7724 1 9 . 1 1 207 207 PHE C C 207 176.576 176.576 175.717 0.859 19425 7725 1 9 . 1 1 207 207 PHE CA C 207 59.714 59.714 58.804 0.910 19425 7726 1 9 . 1 1 207 207 PHE CB C 207 38.239 38.239 38.885 -0.646 19425 7727 1 9 . 1 1 207 207 PHE H H 207 8.953 8.953 8.485 0.468 19425 7728 1 9 . 1 1 208 208 GLN N N 208 117.531 117.531 117.342 0.189 19425 7729 1 9 . 1 1 208 208 GLN C C 208 175.166 175.166 175.300 -0.134 19425 7730 1 9 . 1 1 208 208 GLN CA C 208 55.096 55.096 54.082 1.014 19425 7731 1 9 . 1 1 208 208 GLN CB C 208 30.437 30.437 30.825 -0.388 19425 7732 1 9 . 1 1 208 208 GLN H H 208 6.613 6.613 7.749 -1.136 19425 7733 1 9 . 1 1 209 209 GLN N N 209 117.318 117.318 122.493 -5.175 19425 7734 1 9 . 1 1 209 209 GLN C C 209 173.162 173.162 175.806 -2.644 19425 7735 1 9 . 1 1 209 209 GLN CA C 209 56.217 56.217 56.755 -0.538 19425 7736 1 9 . 1 1 209 209 GLN CB C 209 29.912 29.912 29.399 0.513 19425 7737 1 9 . 1 1 209 209 GLN H H 209 8.108 8.108 8.345 -0.237 19425 7738 1 9 . 1 1 210 210 THR N N 210 116.616 116.616 113.860 2.756 19425 7739 1 9 . 1 1 210 210 THR C C 210 176.150 176.150 172.697 3.453 19425 7740 1 9 . 1 1 210 210 THR CA C 210 62.848 62.848 61.459 1.389 19425 7741 1 9 . 1 1 210 210 THR CB C 210 73.244 73.244 70.198 3.046 19425 7742 1 9 . 1 1 210 210 THR H H 210 6.641 6.641 8.217 -1.576 19425 7743 1 9 . 1 1 211 211 LEU N N 211 126.776 126.776 127.340 -0.564 19425 7744 1 9 . 1 1 211 211 LEU C C 211 171.418 171.418 175.712 -4.294 19425 7745 1 9 . 1 1 211 211 LEU CA C 211 55.012 55.012 54.803 0.209 19425 7746 1 9 . 1 1 211 211 LEU CB C 211 41.627 41.627 42.300 -0.673 19425 7747 1 9 . 1 1 211 211 LEU H H 211 8.418 8.418 8.409 0.009 19425 7748 1 9 . 1 1 212 212 TRP N N 212 124.678 124.678 124.248 0.430 19425 7749 1 9 . 1 1 212 212 TRP C C 212 175.742 175.742 175.698 0.044 19425 7750 1 9 . 1 1 212 212 TRP CA C 212 56.052 56.052 55.657 0.395 19425 7751 1 9 . 1 1 212 212 TRP CB C 212 31.169 31.169 32.914 -1.745 19425 7752 1 9 . 1 1 212 212 TRP H H 212 9.462 9.462 9.114 0.348 19425 7753 1 9 . 1 1 213 213 SER N N 213 118.197 118.197 116.524 1.673 19425 7754 1 9 . 1 1 213 213 SER C C 213 175.575 175.575 174.248 1.327 19425 7755 1 9 . 1 1 213 213 SER CA C 213 57.141 57.141 56.389 0.751 19425 7756 1 9 . 1 1 213 213 SER CB C 213 64.800 64.800 63.479 1.321 19425 7757 1 9 . 1 1 213 213 SER H H 213 9.642 9.642 9.362 0.280 19425 7758 1 9 . 1 1 214 214 VAL N N 214 125.581 125.581 130.300 -4.719 19425 7759 1 9 . 1 1 214 214 VAL C C 214 174.183 174.183 174.724 -0.541 19425 7760 1 9 . 1 1 214 214 VAL CA C 214 61.398 61.398 61.958 -0.560 19425 7761 1 9 . 1 1 214 214 VAL CB C 214 32.502 32.502 31.822 0.680 19425 7762 1 9 . 1 1 214 214 VAL H H 214 8.433 8.433 8.647 -0.214 19425 7763 1 9 . 1 1 215 215 ALA N N 215 130.074 130.074 131.302 -1.228 19425 7764 1 9 . 1 1 215 215 ALA C C 215 174.647 174.647 174.310 0.337 19425 7765 1 9 . 1 1 215 215 ALA CA C 215 49.058 49.058 48.485 0.573 19425 7766 1 9 . 1 1 215 215 ALA CB C 215 20.299 20.299 20.365 -0.066 19425 7767 1 9 . 1 1 215 215 ALA H H 215 8.572 8.572 8.406 0.166 19425 7768 1 10 . 1 1 13 13 PHE N N 13 122.001 122.001 121.184 0.817 19425 7769 1 10 . 1 1 13 13 PHE C C 13 174.608 174.608 175.793 -1.185 19425 7770 1 10 . 1 1 13 13 PHE CA C 13 56.445 56.445 56.007 0.438 19425 7771 1 10 . 1 1 13 13 PHE CB C 13 41.650 41.650 41.997 -0.347 19425 7772 1 10 . 1 1 13 13 PHE H H 13 8.209 8.209 8.216 -0.007 19425 7773 1 10 . 1 1 14 14 LEU N N 14 122.475 122.475 123.750 -1.275 19425 7774 1 10 . 1 1 14 14 LEU C C 14 175.630 175.630 176.071 -0.441 19425 7775 1 10 . 1 1 14 14 LEU CA C 14 55.024 55.024 55.033 -0.009 19425 7776 1 10 . 1 1 14 14 LEU CB C 14 43.987 43.987 42.041 1.946 19425 7777 1 10 . 1 1 14 14 LEU H H 14 8.264 8.264 9.000 -0.736 19425 7778 1 10 . 1 1 15 15 ARG N N 15 121.510 121.510 122.068 -0.558 19425 7779 1 10 . 1 1 15 15 ARG C C 15 175.630 175.630 177.185 -1.555 19425 7780 1 10 . 1 1 15 15 ARG CA C 15 54.007 54.007 52.509 1.498 19425 7781 1 10 . 1 1 15 15 ARG CB C 15 34.536 34.536 32.782 1.754 19425 7782 1 10 . 1 1 15 15 ARG H H 15 8.653 8.653 8.200 0.453 19425 7783 1 10 . 1 1 16 16 THR N N 16 110.840 110.840 113.639 -2.799 19425 7784 1 10 . 1 1 16 16 THR C C 16 175.946 175.946 175.671 0.275 19425 7785 1 10 . 1 1 16 16 THR CA C 16 62.950 62.950 62.938 0.012 19425 7786 1 10 . 1 1 16 16 THR CB C 16 69.276 69.276 69.715 -0.439 19425 7787 1 10 . 1 1 16 16 THR H H 16 8.815 8.815 8.634 0.181 19425 7788 1 10 . 1 1 17 17 ASP N N 17 114.036 114.036 118.949 -4.913 19425 7789 1 10 . 1 1 17 17 ASP C C 17 175.686 175.686 174.928 0.758 19425 7790 1 10 . 1 1 17 17 ASP CA C 17 57.735 57.735 56.110 1.625 19425 7791 1 10 . 1 1 17 17 ASP CB C 17 39.928 39.928 40.199 -0.271 19425 7792 1 10 . 1 1 17 17 ASP H H 17 9.241 9.241 8.981 0.260 19425 7793 1 10 . 1 1 18 18 ASP N N 18 122.062 122.062 122.200 -0.138 19425 7794 1 10 . 1 1 18 18 ASP C C 18 175.946 175.946 175.798 0.148 19425 7795 1 10 . 1 1 18 18 ASP CA C 18 56.214 56.214 55.243 0.971 19425 7796 1 10 . 1 1 18 18 ASP CB C 18 40.985 40.985 41.345 -0.360 19425 7797 1 10 . 1 1 18 18 ASP H H 18 8.035 8.035 7.648 0.387 19425 7798 1 10 . 1 1 19 19 GLU N N 19 122.006 122.006 123.554 -1.548 19425 7799 1 10 . 1 1 19 19 GLU C C 19 175.055 175.055 176.488 -1.433 19425 7800 1 10 . 1 1 19 19 GLU CA C 19 55.262 55.262 56.293 -1.031 19425 7801 1 10 . 1 1 19 19 GLU CB C 19 30.712 30.712 30.426 0.286 19425 7802 1 10 . 1 1 19 19 GLU H H 19 8.274 8.274 8.588 -0.314 19425 7803 1 10 . 1 1 20 20 VAL N N 20 118.214 118.214 120.392 -2.178 19425 7804 1 10 . 1 1 20 20 VAL C C 20 176.855 176.855 173.737 3.118 19425 7805 1 10 . 1 1 20 20 VAL CA C 20 59.054 59.054 58.947 0.107 19425 7806 1 10 . 1 1 20 20 VAL CB C 20 36.780 36.780 36.341 0.439 19425 7807 1 10 . 1 1 20 20 VAL H H 20 9.779 9.779 9.222 0.557 19425 7808 1 10 . 1 1 21 21 VAL N N 21 115.443 115.443 115.407 0.036 19425 7809 1 10 . 1 1 21 21 VAL C C 21 173.830 173.830 173.923 -0.093 19425 7810 1 10 . 1 1 21 21 VAL CA C 21 60.308 60.308 59.435 0.873 19425 7811 1 10 . 1 1 21 21 VAL CB C 21 34.625 34.625 35.376 -0.751 19425 7812 1 10 . 1 1 21 21 VAL H H 21 8.167 8.167 8.533 -0.366 19425 7813 1 10 . 1 1 22 22 LEU N N 22 128.072 128.072 127.467 0.605 19425 7814 1 10 . 1 1 22 22 LEU C C 22 174.858 174.858 175.911 -1.053 19425 7815 1 10 . 1 1 22 22 LEU CA C 22 55.656 55.656 54.162 1.494 19425 7816 1 10 . 1 1 22 22 LEU CB C 22 42.545 42.545 42.171 0.374 19425 7817 1 10 . 1 1 22 22 LEU H H 22 10.103 10.103 8.898 1.205 19425 7818 1 10 . 1 1 23 23 GLN N N 23 120.609 120.609 123.449 -2.840 19425 7819 1 10 . 1 1 23 23 GLN C C 23 175.500 175.500 174.869 0.631 19425 7820 1 10 . 1 1 23 23 GLN CA C 23 53.710 53.710 54.474 -0.764 19425 7821 1 10 . 1 1 23 23 GLN CB C 23 33.697 33.697 33.014 0.683 19425 7822 1 10 . 1 1 23 23 GLN H H 23 9.119 9.119 8.719 0.400 19425 7823 1 10 . 1 1 24 24 CYS N N 24 118.659 118.659 121.981 -3.322 19425 7824 1 10 . 1 1 24 24 CYS C C 24 174.443 174.443 173.111 1.332 19425 7825 1 10 . 1 1 24 24 CYS CA C 24 55.261 55.261 56.301 -1.040 19425 7826 1 10 . 1 1 24 24 CYS CB C 24 30.302 30.302 30.675 -0.373 19425 7827 1 10 . 1 1 24 24 CYS H H 24 8.993 8.993 9.101 -0.108 19425 7828 1 10 . 1 1 25 25 THR N N 25 116.266 116.266 123.552 -7.286 19425 7829 1 10 . 1 1 25 25 THR C C 25 172.457 172.457 173.640 -1.183 19425 7830 1 10 . 1 1 25 25 THR CA C 25 61.858 61.858 63.157 -1.299 19425 7831 1 10 . 1 1 25 25 THR CB C 25 70.271 70.271 68.948 1.323 19425 7832 1 10 . 1 1 25 25 THR H H 25 8.480 8.480 8.551 -0.071 19425 7833 1 10 . 1 1 26 26 ALA N N 26 129.739 129.739 131.545 -1.806 19425 7834 1 10 . 1 1 26 26 ALA C C 26 172.717 172.717 175.207 -2.490 19425 7835 1 10 . 1 1 26 26 ALA CA C 26 50.642 50.642 50.107 0.535 19425 7836 1 10 . 1 1 26 26 ALA CB C 26 21.315 21.315 20.139 1.177 19425 7837 1 10 . 1 1 26 26 ALA H H 26 8.590 8.590 8.706 -0.116 19425 7838 1 10 . 1 1 27 27 THR N N 27 116.574 116.574 118.181 -1.607 19425 7839 1 10 . 1 1 27 27 THR C C 27 173.181 173.181 173.812 -0.631 19425 7840 1 10 . 1 1 27 27 THR CA C 27 61.919 61.919 61.182 0.737 19425 7841 1 10 . 1 1 27 27 THR CB C 27 69.696 69.696 70.881 -1.185 19425 7842 1 10 . 1 1 27 27 THR H H 27 8.110 8.110 8.231 -0.121 19425 7843 1 10 . 1 1 28 28 ILE N N 28 126.342 126.342 124.628 1.714 19425 7844 1 10 . 1 1 28 28 ILE C C 28 173.793 173.793 174.454 -0.661 19425 7845 1 10 . 1 1 28 28 ILE CA C 28 60.407 60.407 61.615 -1.208 19425 7846 1 10 . 1 1 28 28 ILE CB C 28 39.536 39.536 40.109 -0.573 19425 7847 1 10 . 1 1 28 28 ILE H H 28 8.483 8.483 8.580 -0.097 19425 7848 1 10 . 1 1 29 29 HIS N N 29 126.364 126.364 124.948 1.416 19425 7849 1 10 . 1 1 29 29 HIS C C 29 175.259 175.259 174.216 1.043 19425 7850 1 10 . 1 1 29 29 HIS CA C 29 57.174 57.174 56.938 0.236 19425 7851 1 10 . 1 1 29 29 HIS CB C 29 28.029 28.029 28.287 -0.258 19425 7852 1 10 . 1 1 29 29 HIS H H 29 9.110 9.110 8.443 0.667 19425 7853 1 10 . 1 1 31 31 GLU N N 31 120.962 120.962 119.281 1.681 19425 7854 1 10 . 1 1 31 31 GLU C C 31 175.575 175.575 174.441 1.134 19425 7855 1 10 . 1 1 31 31 GLU CA C 31 55.394 55.394 55.442 -0.048 19425 7856 1 10 . 1 1 31 31 GLU CB C 31 31.576 31.576 32.088 -0.512 19425 7857 1 10 . 1 1 31 31 GLU H H 31 8.047 8.047 7.727 0.320 19425 7858 1 10 . 1 1 32 32 GLN N N 32 123.171 123.171 126.366 -3.195 19425 7859 1 10 . 1 1 32 32 GLN C C 32 175.185 175.185 174.739 0.446 19425 7860 1 10 . 1 1 32 32 GLN CA C 32 54.496 54.496 54.553 -0.057 19425 7861 1 10 . 1 1 32 32 GLN CB C 32 30.054 30.054 31.696 -1.642 19425 7862 1 10 . 1 1 32 32 GLN H H 32 8.646 8.646 8.756 -0.110 19425 7863 1 10 . 1 1 33 33 GLN N N 33 123.530 123.530 119.716 3.814 19425 7864 1 10 . 1 1 33 33 GLN C C 33 175.667 175.667 173.474 2.193 19425 7865 1 10 . 1 1 33 33 GLN CA C 33 54.616 54.616 54.687 -0.071 19425 7866 1 10 . 1 1 33 33 GLN CB C 33 31.748 31.748 32.713 -0.965 19425 7867 1 10 . 1 1 33 33 GLN H H 33 8.839 8.839 8.733 0.106 19425 7868 1 10 . 1 1 34 34 LYS N N 34 124.601 124.601 120.343 4.258 19425 7869 1 10 . 1 1 34 34 LYS C C 34 173.812 173.812 175.054 -1.242 19425 7870 1 10 . 1 1 34 34 LYS CA C 34 55.755 55.755 55.169 0.586 19425 7871 1 10 . 1 1 34 34 LYS CB C 34 32.712 32.712 35.977 -3.265 19425 7872 1 10 . 1 1 34 34 LYS H H 34 8.589 8.589 8.286 0.303 19425 7873 1 10 . 1 1 35 35 LEU N N 35 126.071 126.071 122.736 3.335 19425 7874 1 10 . 1 1 35 35 LEU C C 35 175.445 175.445 175.512 -0.067 19425 7875 1 10 . 1 1 35 35 LEU CA C 35 53.347 53.347 53.086 0.261 19425 7876 1 10 . 1 1 35 35 LEU CB C 35 44.943 44.943 46.031 -1.088 19425 7877 1 10 . 1 1 35 35 LEU H H 35 8.794 8.794 8.416 0.378 19425 7878 1 10 . 1 1 36 36 CYS N N 36 118.373 118.373 121.952 -3.579 19425 7879 1 10 . 1 1 36 36 CYS C C 36 176.057 176.057 174.580 1.477 19425 7880 1 10 . 1 1 36 36 CYS CA C 36 57.174 57.174 56.694 0.480 19425 7881 1 10 . 1 1 36 36 CYS CB C 36 30.306 30.306 29.664 0.642 19425 7882 1 10 . 1 1 36 36 CYS H H 36 9.042 9.042 8.620 0.422 19425 7883 1 10 . 1 1 37 37 LEU N N 37 129.256 129.256 128.885 0.371 19425 7884 1 10 . 1 1 37 37 LEU C C 37 174.090 174.090 174.969 -0.879 19425 7885 1 10 . 1 1 37 37 LEU CA C 37 56.349 56.349 55.415 0.934 19425 7886 1 10 . 1 1 37 37 LEU CB C 37 42.689 42.689 42.545 0.144 19425 7887 1 10 . 1 1 37 37 LEU H H 37 8.811 8.811 8.822 -0.011 19425 7888 1 10 . 1 1 38 38 ALA N N 38 127.229 127.229 128.460 -1.231 19425 7889 1 10 . 1 1 38 38 ALA C C 38 174.517 174.517 175.096 -0.579 19425 7890 1 10 . 1 1 38 38 ALA CA C 38 50.609 50.609 49.393 1.216 19425 7891 1 10 . 1 1 38 38 ALA CB C 38 24.141 24.141 22.403 1.738 19425 7892 1 10 . 1 1 38 38 ALA H H 38 8.879 8.879 8.724 0.155 19425 7893 1 10 . 1 1 39 39 ALA N N 39 117.076 117.076 120.668 -3.592 19425 7894 1 10 . 1 1 39 39 ALA C C 39 174.665 174.665 174.724 -0.059 19425 7895 1 10 . 1 1 39 39 ALA CA C 39 51.500 51.500 51.568 -0.068 19425 7896 1 10 . 1 1 39 39 ALA CB C 39 20.996 20.996 21.539 -0.543 19425 7897 1 10 . 1 1 39 39 ALA H H 39 6.837 6.837 7.716 -0.879 19425 7898 1 10 . 1 1 40 40 GLU N N 40 119.966 119.966 118.675 1.291 19425 7899 1 10 . 1 1 40 40 GLU C C 40 176.205 176.205 176.341 -0.136 19425 7900 1 10 . 1 1 40 40 GLU CA C 40 55.950 55.950 54.990 0.960 19425 7901 1 10 . 1 1 40 40 GLU CB C 40 31.836 31.836 32.586 -0.750 19425 7902 1 10 . 1 1 40 40 GLU H H 40 8.413 8.413 8.496 -0.083 19425 7903 1 10 . 1 1 41 41 GLY N N 41 108.646 108.646 109.254 -0.608 19425 7904 1 10 . 1 1 41 41 GLY C C 41 176.892 176.892 173.720 3.172 19425 7905 1 10 . 1 1 41 41 GLY CA C 41 45.628 45.628 45.447 0.181 19425 7906 1 10 . 1 1 41 41 GLY H H 41 8.463 8.463 8.993 -0.530 19425 7907 1 10 . 1 1 43 43 GLY N N 43 109.557 109.557 113.060 -3.503 19425 7908 1 10 . 1 1 43 43 GLY C C 43 176.465 176.465 174.527 1.938 19425 7909 1 10 . 1 1 43 43 GLY CA C 43 45.397 45.397 45.392 0.005 19425 7910 1 10 . 1 1 43 43 GLY H H 43 8.510 8.510 7.862 0.648 19425 7911 1 10 . 1 1 44 44 ASN N N 44 116.850 116.850 122.182 -5.332 19425 7912 1 10 . 1 1 44 44 ASN C C 44 173.830 173.830 175.375 -1.545 19425 7913 1 10 . 1 1 44 44 ASN CA C 44 54.184 54.184 52.795 1.389 19425 7914 1 10 . 1 1 44 44 ASN CB C 44 38.252 38.252 38.192 0.060 19425 7915 1 10 . 1 1 44 44 ASN H H 44 8.028 8.028 8.751 -0.723 19425 7916 1 10 . 1 1 45 45 ARG N N 45 118.226 118.226 115.883 2.343 19425 7917 1 10 . 1 1 45 45 ARG C C 45 174.072 174.072 174.279 -0.207 19425 7918 1 10 . 1 1 45 45 ARG CA C 45 56.077 56.077 57.128 -1.051 19425 7919 1 10 . 1 1 45 45 ARG CB C 45 31.231 31.231 27.343 3.888 19425 7920 1 10 . 1 1 45 45 ARG H H 45 7.759 7.759 7.519 0.240 19425 7921 1 10 . 1 1 46 46 LEU N N 46 124.643 124.643 118.895 5.748 19425 7922 1 10 . 1 1 46 46 LEU C C 46 176.447 176.447 177.132 -0.685 19425 7923 1 10 . 1 1 46 46 LEU CA C 46 54.667 54.667 54.172 0.495 19425 7924 1 10 . 1 1 46 46 LEU CB C 46 42.605 42.605 43.095 -0.490 19425 7925 1 10 . 1 1 46 46 LEU H H 46 8.695 8.695 7.672 1.023 19425 7926 1 10 . 1 1 47 47 CYS N N 47 119.241 119.241 120.632 -1.391 19425 7927 1 10 . 1 1 47 47 CYS C C 47 176.651 176.651 174.976 1.675 19425 7928 1 10 . 1 1 47 47 CYS CA C 47 55.885 55.885 59.081 -3.196 19425 7929 1 10 . 1 1 47 47 CYS CB C 47 31.112 31.112 26.966 4.146 19425 7930 1 10 . 1 1 47 47 CYS H H 47 9.007 9.007 8.599 0.408 19425 7931 1 10 . 1 1 48 48 PHE N N 48 114.081 114.081 118.206 -4.125 19425 7932 1 10 . 1 1 48 48 PHE C C 48 170.342 170.342 173.021 -2.679 19425 7933 1 10 . 1 1 48 48 PHE CA C 48 57.405 57.405 55.948 1.457 19425 7934 1 10 . 1 1 48 48 PHE CB C 48 43.263 43.263 40.280 2.983 19425 7935 1 10 . 1 1 48 48 PHE H H 48 8.647 8.647 8.529 0.118 19425 7936 1 10 . 1 1 49 49 LEU N N 49 122.287 122.287 119.269 3.018 19425 7937 1 10 . 1 1 49 49 LEU C C 49 176.236 176.236 176.436 -0.200 19425 7938 1 10 . 1 1 49 49 LEU CA C 49 53.285 53.285 53.719 -0.434 19425 7939 1 10 . 1 1 49 49 LEU CB C 49 42.907 42.907 45.873 -2.966 19425 7940 1 10 . 1 1 49 49 LEU H H 49 9.108 9.108 8.856 0.252 19425 7941 1 10 . 1 1 50 50 GLU N N 50 123.206 123.206 121.666 1.540 19425 7942 1 10 . 1 1 50 50 GLU C C 50 177.671 177.671 175.211 2.460 19425 7943 1 10 . 1 1 50 50 GLU CA C 50 57.084 57.084 54.734 2.350 19425 7944 1 10 . 1 1 50 50 GLU CB C 50 30.123 30.123 32.415 -2.292 19425 7945 1 10 . 1 1 50 50 GLU H H 50 8.834 8.834 8.545 0.289 19425 7946 1 10 . 1 1 51 51 SER N N 51 118.500 118.500 121.279 -2.779 19425 7947 1 10 . 1 1 51 51 SER C C 51 176.706 176.706 175.187 1.519 19425 7948 1 10 . 1 1 51 51 SER CA C 51 58.560 58.560 58.035 0.525 19425 7949 1 10 . 1 1 51 51 SER CB C 51 63.979 63.979 63.482 0.497 19425 7950 1 10 . 1 1 51 51 SER H H 51 8.461 8.461 8.902 -0.441 19425 7951 1 10 . 1 1 52 52 THR N N 52 116.205 116.205 119.665 -3.460 19425 7952 1 10 . 1 1 52 52 THR C C 52 174.808 174.808 174.905 -0.097 19425 7953 1 10 . 1 1 52 52 THR CA C 52 61.891 61.891 60.650 1.241 19425 7954 1 10 . 1 1 52 52 THR CB C 52 70.076 70.076 70.794 -0.718 19425 7955 1 10 . 1 1 52 52 THR H H 52 8.199 8.199 8.315 -0.116 19425 7956 1 10 . 1 1 65 65 CYS N N 65 117.553 117.553 120.023 -2.470 19425 7957 1 10 . 1 1 65 65 CYS C C 65 176.948 176.948 174.307 2.641 19425 7958 1 10 . 1 1 65 65 CYS CA C 65 57.900 57.900 56.374 1.526 19425 7959 1 10 . 1 1 65 65 CYS CB C 65 30.290 30.290 26.864 3.426 19425 7960 1 10 . 1 1 65 65 CYS H H 65 7.539 7.539 7.637 -0.098 19425 7961 1 10 . 1 1 66 66 THR N N 66 113.614 113.614 119.237 -5.623 19425 7962 1 10 . 1 1 66 66 THR C C 66 180.325 180.325 173.417 6.908 19425 7963 1 10 . 1 1 66 66 THR CA C 66 63.399 63.399 64.190 -0.791 19425 7964 1 10 . 1 1 66 66 THR CB C 66 69.281 69.281 69.059 0.222 19425 7965 1 10 . 1 1 66 66 THR H H 66 6.851 6.851 7.284 -0.433 19425 7966 1 10 . 1 1 67 67 PHE N N 67 126.248 126.248 124.946 1.302 19425 7967 1 10 . 1 1 67 67 PHE C C 67 174.424 174.424 174.181 0.243 19425 7968 1 10 . 1 1 67 67 PHE CA C 67 56.184 56.184 56.774 -0.590 19425 7969 1 10 . 1 1 67 67 PHE CB C 67 43.291 43.291 44.410 -1.119 19425 7970 1 10 . 1 1 67 67 PHE H H 67 9.603 9.603 9.311 0.292 19425 7971 1 10 . 1 1 68 68 VAL N N 68 121.310 121.310 118.894 2.416 19425 7972 1 10 . 1 1 68 68 VAL C C 68 173.719 173.719 175.577 -1.858 19425 7973 1 10 . 1 1 68 68 VAL CA C 68 60.935 60.935 60.653 0.282 19425 7974 1 10 . 1 1 68 68 VAL CB C 68 34.522 34.522 34.538 -0.016 19425 7975 1 10 . 1 1 68 68 VAL H H 68 9.968 9.968 8.641 1.327 19425 7976 1 10 . 1 1 69 69 LEU N N 69 127.011 127.011 128.534 -1.523 19425 7977 1 10 . 1 1 69 69 LEU C C 69 177.152 177.152 177.992 -0.840 19425 7978 1 10 . 1 1 69 69 LEU CA C 69 53.083 53.083 54.476 -1.393 19425 7979 1 10 . 1 1 69 69 LEU CB C 69 39.652 39.652 39.391 0.261 19425 7980 1 10 . 1 1 69 69 LEU H H 69 8.135 8.135 8.743 -0.608 19425 7981 1 10 . 1 1 70 70 GLU N N 70 129.683 129.683 121.460 8.223 19425 7982 1 10 . 1 1 70 70 GLU C C 70 174.869 174.869 176.834 -1.965 19425 7983 1 10 . 1 1 70 70 GLU CA C 70 59.747 59.747 59.163 0.584 19425 7984 1 10 . 1 1 70 70 GLU CB C 70 31.291 31.291 29.909 1.382 19425 7985 1 10 . 1 1 70 70 GLU H H 70 8.654 8.654 8.377 0.277 19425 7986 1 10 . 1 1 71 71 GLN N N 71 110.287 110.287 116.883 -6.596 19425 7987 1 10 . 1 1 71 71 GLN C C 71 176.094 176.094 174.971 1.123 19425 7988 1 10 . 1 1 71 71 GLN CA C 71 54.030 54.030 54.509 -0.479 19425 7989 1 10 . 1 1 71 71 GLN CB C 71 33.112 33.112 32.835 0.277 19425 7990 1 10 . 1 1 71 71 GLN H H 71 7.318 7.318 7.635 -0.317 19425 7991 1 10 . 1 1 72 72 SER N N 72 116.205 116.205 117.810 -1.605 19425 7992 1 10 . 1 1 72 72 SER C C 72 174.035 174.035 173.385 0.650 19425 7993 1 10 . 1 1 72 72 SER CA C 72 58.132 58.132 58.379 -0.247 19425 7994 1 10 . 1 1 72 72 SER CB C 72 64.295 64.295 63.482 0.813 19425 7995 1 10 . 1 1 72 72 SER H H 72 8.380 8.380 8.816 -0.436 19425 7996 1 10 . 1 1 73 73 LEU N N 73 127.858 127.858 126.024 1.834 19425 7997 1 10 . 1 1 73 73 LEU C C 73 173.701 173.701 175.753 -2.052 19425 7998 1 10 . 1 1 73 73 LEU CA C 73 53.347 53.347 53.280 0.067 19425 7999 1 10 . 1 1 73 73 LEU CB C 73 45.926 45.926 45.388 0.538 19425 8000 1 10 . 1 1 73 73 LEU H H 73 9.532 9.532 8.838 0.694 19425 8001 1 10 . 1 1 74 74 SER N N 74 115.724 115.724 114.654 1.070 19425 8002 1 10 . 1 1 74 74 SER C C 74 177.541 177.541 175.926 1.615 19425 8003 1 10 . 1 1 74 74 SER CA C 74 57.905 57.905 57.504 0.401 19425 8004 1 10 . 1 1 74 74 SER CB C 74 63.901 63.901 63.509 0.392 19425 8005 1 10 . 1 1 74 74 SER H H 74 8.240 8.240 8.066 0.174 19425 8006 1 10 . 1 1 75 75 VAL N N 75 122.994 122.994 124.685 -1.691 19425 8007 1 10 . 1 1 75 75 VAL C C 75 174.610 174.610 177.700 -3.090 19425 8008 1 10 . 1 1 75 75 VAL CA C 75 67.104 67.104 67.383 -0.279 19425 8009 1 10 . 1 1 75 75 VAL CB C 75 30.953 30.953 31.598 -0.645 19425 8010 1 10 . 1 1 75 75 VAL H H 75 9.056 9.056 8.943 0.113 19425 8011 1 10 . 1 1 76 76 ARG N N 76 119.193 119.193 119.935 -0.742 19425 8012 1 10 . 1 1 76 76 ARG C C 76 178.228 178.228 177.936 0.292 19425 8013 1 10 . 1 1 76 76 ARG CA C 76 59.087 59.087 59.449 -0.362 19425 8014 1 10 . 1 1 76 76 ARG CB C 76 29.280 29.280 29.759 -0.479 19425 8015 1 10 . 1 1 76 76 ARG H H 76 8.137 8.137 8.348 -0.211 19425 8016 1 10 . 1 1 77 77 ALA N N 77 122.977 122.977 121.792 1.185 19425 8017 1 10 . 1 1 77 77 ALA C C 77 178.506 178.506 179.659 -1.153 19425 8018 1 10 . 1 1 77 77 ALA CA C 77 54.926 54.926 54.728 0.198 19425 8019 1 10 . 1 1 77 77 ALA CB C 77 18.231 18.231 18.075 0.156 19425 8020 1 10 . 1 1 77 77 ALA H H 77 7.699 7.699 7.534 0.165 19425 8021 1 10 . 1 1 78 78 LEU N N 78 121.115 121.115 120.224 0.891 19425 8022 1 10 . 1 1 78 78 LEU C C 78 180.640 180.640 178.387 2.253 19425 8023 1 10 . 1 1 78 78 LEU CA C 78 57.985 57.985 57.400 0.585 19425 8024 1 10 . 1 1 78 78 LEU CB C 78 40.522 40.522 41.238 -0.716 19425 8025 1 10 . 1 1 78 78 LEU H H 78 8.303 8.303 8.298 0.005 19425 8026 1 10 . 1 1 79 79 GLN N N 79 116.873 116.873 117.361 -0.488 19425 8027 1 10 . 1 1 79 79 GLN C C 79 177.875 177.875 178.382 -0.507 19425 8028 1 10 . 1 1 79 79 GLN CA C 79 59.069 59.069 59.160 -0.091 19425 8029 1 10 . 1 1 79 79 GLN CB C 79 27.254 27.254 28.345 -1.091 19425 8030 1 10 . 1 1 79 79 GLN H H 79 8.390 8.390 8.242 0.148 19425 8031 1 10 . 1 1 80 80 GLU N N 80 120.455 120.455 120.842 -0.387 19425 8032 1 10 . 1 1 80 80 GLU C C 80 179.749 179.749 178.787 0.962 19425 8033 1 10 . 1 1 80 80 GLU CA C 80 59.413 59.413 59.332 0.081 19425 8034 1 10 . 1 1 80 80 GLU CB C 80 29.142 29.142 29.540 -0.398 19425 8035 1 10 . 1 1 80 80 GLU H H 80 7.942 7.942 7.943 -0.001 19425 8036 1 10 . 1 1 81 81 MET N N 81 120.541 120.541 118.485 2.056 19425 8037 1 10 . 1 1 81 81 MET C C 81 178.599 178.599 178.984 -0.385 19425 8038 1 10 . 1 1 81 81 MET CA C 81 59.665 59.665 59.187 0.478 19425 8039 1 10 . 1 1 81 81 MET CB C 81 32.534 32.534 32.699 -0.165 19425 8040 1 10 . 1 1 81 81 MET H H 81 7.870 7.870 8.074 -0.204 19425 8041 1 10 . 1 1 82 82 LEU N N 82 119.662 119.662 118.201 1.461 19425 8042 1 10 . 1 1 82 82 LEU C C 82 179.638 179.638 178.652 0.986 19425 8043 1 10 . 1 1 82 82 LEU CA C 82 57.669 57.669 56.961 0.709 19425 8044 1 10 . 1 1 82 82 LEU CB C 82 40.783 40.783 41.656 -0.873 19425 8045 1 10 . 1 1 82 82 LEU H H 82 8.488 8.488 7.946 0.542 19425 8046 1 10 . 1 1 83 83 ALA N N 83 120.827 120.827 120.395 0.432 19425 8047 1 10 . 1 1 83 83 ALA C C 83 179.323 179.323 179.917 -0.594 19425 8048 1 10 . 1 1 83 83 ALA CA C 83 54.073 54.073 54.499 -0.426 19425 8049 1 10 . 1 1 83 83 ALA CB C 83 18.326 18.326 18.726 -0.400 19425 8050 1 10 . 1 1 83 83 ALA H H 83 7.704 7.704 7.948 -0.244 19425 8051 1 10 . 1 1 84 84 ASN N N 84 115.853 115.853 114.965 0.888 19425 8052 1 10 . 1 1 84 84 ASN C C 84 178.944 178.944 176.031 2.913 19425 8053 1 10 . 1 1 84 84 ASN CA C 84 54.167 54.167 55.218 -1.052 19425 8054 1 10 . 1 1 84 84 ASN CB C 84 39.465 39.465 38.326 1.139 19425 8055 1 10 . 1 1 84 84 ASN H H 84 7.729 7.729 8.096 -0.367 19425 8056 1 10 . 1 1 85 85 THR N N 85 112.611 112.611 107.876 4.735 19425 8057 1 10 . 1 1 85 85 THR C C 85 175.569 175.569 175.169 0.400 19425 8058 1 10 . 1 1 85 85 THR CA C 85 63.086 63.086 63.099 -0.013 19425 8059 1 10 . 1 1 85 85 THR CB C 85 70.071 70.071 68.456 1.615 19425 8060 1 10 . 1 1 85 85 THR H H 85 7.698 7.698 7.172 0.526 19425 8061 1 10 . 1 1 86 86 VAL N N 86 121.812 121.812 120.181 1.631 19425 8062 1 10 . 1 1 86 86 VAL C C 86 174.573 174.573 176.168 -1.595 19425 8063 1 10 . 1 1 86 86 VAL CA C 86 62.811 62.811 63.858 -1.047 19425 8064 1 10 . 1 1 86 86 VAL CB C 86 32.730 32.730 31.955 0.775 19425 8065 1 10 . 1 1 86 86 VAL H H 86 7.874 7.874 7.350 0.524 19425 8066 1 10 . 1 1 87 87 GLU N N 87 124.330 124.330 119.753 4.577 19425 8067 1 10 . 1 1 87 87 GLU C C 87 176.280 176.280 175.303 0.977 19425 8068 1 10 . 1 1 87 87 GLU CA C 87 56.877 56.877 55.325 1.552 19425 8069 1 10 . 1 1 87 87 GLU CB C 87 29.852 29.852 30.824 -0.972 19425 8070 1 10 . 1 1 87 87 GLU H H 87 8.403 8.403 7.707 0.696 19425 8071 1 10 . 1 1 88 88 LYS N N 88 122.065 122.065 123.953 -1.888 19425 8072 1 10 . 1 1 88 88 LYS C C 88 176.966 176.966 175.064 1.902 19425 8073 1 10 . 1 1 88 88 LYS CA C 88 56.799 56.799 57.336 -0.537 19425 8074 1 10 . 1 1 88 88 LYS CB C 88 32.597 32.597 32.134 0.463 19425 8075 1 10 . 1 1 88 88 LYS H H 88 8.330 8.330 8.592 -0.262 19425 8076 1 10 . 1 1 89 89 SER N N 89 116.192 116.192 113.291 2.901 19425 8077 1 10 . 1 1 89 89 SER C C 89 176.865 176.865 173.093 3.772 19425 8078 1 10 . 1 1 89 89 SER CA C 89 59.008 59.008 59.014 -0.006 19425 8079 1 10 . 1 1 89 89 SER CB C 89 63.765 63.765 62.966 0.799 19425 8080 1 10 . 1 1 89 89 SER H H 89 8.247 8.247 8.336 -0.089 19425 8081 1 10 . 1 1 90 90 GLU N N 90 122.006 122.006 122.563 -0.557 19425 8082 1 10 . 1 1 90 90 GLU C C 90 174.702 174.702 176.581 -1.879 19425 8083 1 10 . 1 1 90 90 GLU CA C 90 57.231 57.231 55.770 1.461 19425 8084 1 10 . 1 1 90 90 GLU CB C 90 29.442 29.442 31.304 -1.862 19425 8085 1 10 . 1 1 90 90 GLU H H 90 8.560 8.560 8.174 0.386 19425 8086 1 10 . 1 1 91 91 GLY N N 91 110.052 110.052 109.281 0.771 19425 8087 1 10 . 1 1 91 91 GLY C C 91 177.170 177.170 174.797 2.373 19425 8088 1 10 . 1 1 91 91 GLY CA C 91 45.634 45.634 45.296 0.338 19425 8089 1 10 . 1 1 91 91 GLY H H 91 8.358 8.358 8.579 -0.221 19425 8090 1 10 . 1 1 92 92 GLN N N 92 120.053 120.053 119.274 0.779 19425 8091 1 10 . 1 1 92 92 GLN C C 92 173.905 173.905 175.219 -1.314 19425 8092 1 10 . 1 1 92 92 GLN CA C 92 55.261 55.261 56.825 -1.563 19425 8093 1 10 . 1 1 92 92 GLN CB C 92 29.573 29.573 29.167 0.406 19425 8094 1 10 . 1 1 92 92 GLN H H 92 8.075 8.075 8.520 -0.445 19425 8095 1 10 . 1 1 93 93 VAL N N 93 123.434 123.434 118.926 4.508 19425 8096 1 10 . 1 1 93 93 VAL C C 93 175.667 175.667 175.751 -0.084 19425 8097 1 10 . 1 1 93 93 VAL CA C 93 62.914 62.914 62.230 0.684 19425 8098 1 10 . 1 1 93 93 VAL CB C 93 32.629 32.629 32.165 0.464 19425 8099 1 10 . 1 1 93 93 VAL H H 93 8.370 8.370 7.533 0.837 19425 8100 1 10 . 1 1 94 94 ASP N N 94 125.761 125.761 124.641 1.120 19425 8101 1 10 . 1 1 94 94 ASP C C 94 175.704 175.704 175.215 0.489 19425 8102 1 10 . 1 1 94 94 ASP CA C 94 53.743 53.743 53.870 -0.127 19425 8103 1 10 . 1 1 94 94 ASP CB C 94 40.771 40.771 39.965 0.806 19425 8104 1 10 . 1 1 94 94 ASP H H 94 8.550 8.550 8.505 0.045 19425 8105 1 10 . 1 1 95 95 VAL N N 95 125.064 125.064 121.297 3.767 19425 8106 1 10 . 1 1 95 95 VAL C C 95 176.465 176.465 176.391 0.074 19425 8107 1 10 . 1 1 95 95 VAL CA C 95 65.487 65.487 63.077 2.410 19425 8108 1 10 . 1 1 95 95 VAL CB C 95 31.773 31.773 31.623 0.150 19425 8109 1 10 . 1 1 95 95 VAL H H 95 8.300 8.300 7.572 0.728 19425 8110 1 10 . 1 1 96 96 GLU N N 96 120.880 120.880 121.555 -0.675 19425 8111 1 10 . 1 1 96 96 GLU C C 96 177.523 177.523 177.557 -0.034 19425 8112 1 10 . 1 1 96 96 GLU CA C 96 59.157 59.157 58.986 0.171 19425 8113 1 10 . 1 1 96 96 GLU CB C 96 28.575 28.575 29.488 -0.913 19425 8114 1 10 . 1 1 96 96 GLU H H 96 8.297 8.297 8.500 -0.203 19425 8115 1 10 . 1 1 97 97 LYS N N 97 121.943 121.943 118.652 3.291 19425 8116 1 10 . 1 1 97 97 LYS C C 97 179.434 179.434 178.376 1.058 19425 8117 1 10 . 1 1 97 97 LYS CA C 97 59.186 59.186 57.675 1.511 19425 8118 1 10 . 1 1 97 97 LYS CB C 97 32.036 32.036 31.808 0.227 19425 8119 1 10 . 1 1 97 97 LYS H H 97 7.979 7.979 8.090 -0.111 19425 8120 1 10 . 1 1 98 98 TRP N N 98 121.420 121.420 121.886 -0.466 19425 8121 1 10 . 1 1 98 98 TRP C C 98 178.673 178.673 178.118 0.555 19425 8122 1 10 . 1 1 98 98 TRP CA C 98 60.176 60.176 59.311 0.865 19425 8123 1 10 . 1 1 98 98 TRP CB C 98 29.340 29.340 28.776 0.564 19425 8124 1 10 . 1 1 98 98 TRP H H 98 8.202 8.202 8.284 -0.082 19425 8125 1 10 . 1 1 99 99 LYS N N 99 118.236 118.236 118.835 -0.599 19425 8126 1 10 . 1 1 99 99 LYS C C 99 177.374 177.374 178.947 -1.573 19425 8127 1 10 . 1 1 99 99 LYS CA C 99 59.812 59.812 60.035 -0.223 19425 8128 1 10 . 1 1 99 99 LYS CB C 99 32.042 32.042 31.873 0.169 19425 8129 1 10 . 1 1 99 99 LYS H H 99 8.346 8.346 8.506 -0.160 19425 8130 1 10 . 1 1 100 100 PHE N N 100 120.365 120.365 120.759 -0.394 19425 8131 1 10 . 1 1 100 100 PHE C C 100 179.193 179.193 177.308 1.885 19425 8132 1 10 . 1 1 100 100 PHE CA C 100 60.902 60.902 61.167 -0.265 19425 8133 1 10 . 1 1 100 100 PHE CB C 100 38.875 38.875 39.271 -0.396 19425 8134 1 10 . 1 1 100 100 PHE H H 100 7.916 7.916 7.648 0.268 19425 8135 1 10 . 1 1 101 101 MET N N 101 121.837 121.837 121.436 0.401 19425 8136 1 10 . 1 1 101 101 MET C C 101 178.172 178.172 178.242 -0.070 19425 8137 1 10 . 1 1 101 101 MET CA C 101 58.625 58.625 58.020 0.605 19425 8138 1 10 . 1 1 101 101 MET CB C 101 32.081 32.081 32.570 -0.489 19425 8139 1 10 . 1 1 101 101 MET H H 101 8.393 8.393 8.233 0.160 19425 8140 1 10 . 1 1 102 102 MET N N 102 119.901 119.901 117.351 2.550 19425 8141 1 10 . 1 1 102 102 MET C C 102 178.655 178.655 178.154 0.501 19425 8142 1 10 . 1 1 102 102 MET CA C 102 57.867 57.867 59.143 -1.276 19425 8143 1 10 . 1 1 102 102 MET CB C 102 32.414 32.414 32.431 -0.017 19425 8144 1 10 . 1 1 102 102 MET H H 102 8.174 8.174 8.568 -0.394 19425 8145 1 10 . 1 1 103 103 LYS N N 103 120.555 120.555 120.402 0.153 19425 8146 1 10 . 1 1 103 103 LYS C C 103 177.857 177.857 179.010 -1.153 19425 8147 1 10 . 1 1 103 103 LYS CA C 103 58.592 58.592 59.982 -1.390 19425 8148 1 10 . 1 1 103 103 LYS CB C 103 31.816 31.816 32.315 -0.499 19425 8149 1 10 . 1 1 103 103 LYS H H 103 7.899 7.899 8.042 -0.143 19425 8150 1 10 . 1 1 104 104 THR N N 104 115.450 115.450 112.398 3.052 19425 8151 1 10 . 1 1 104 104 THR C C 104 179.267 179.267 176.437 2.830 19425 8152 1 10 . 1 1 104 104 THR CA C 104 64.914 64.914 65.510 -0.596 19425 8153 1 10 . 1 1 104 104 THR CB C 104 69.103 69.103 68.353 0.750 19425 8154 1 10 . 1 1 104 104 THR H H 104 7.895 7.895 7.996 -0.101 19425 8155 1 10 . 1 1 105 105 ALA N N 105 124.862 124.862 123.619 1.243 19425 8156 1 10 . 1 1 105 105 ALA C C 105 176.057 176.057 178.542 -2.485 19425 8157 1 10 . 1 1 105 105 ALA CA C 105 54.106 54.106 54.578 -0.472 19425 8158 1 10 . 1 1 105 105 ALA CB C 105 18.493 18.493 18.095 0.398 19425 8159 1 10 . 1 1 105 105 ALA H H 105 7.896 7.896 7.952 -0.056 19425 8160 1 10 . 1 1 106 106 GLN N N 106 117.285 117.285 117.580 -0.295 19425 8161 1 10 . 1 1 106 106 GLN C C 106 178.655 178.655 178.674 -0.019 19425 8162 1 10 . 1 1 106 106 GLN CA C 106 56.913 56.913 57.154 -0.241 19425 8163 1 10 . 1 1 106 106 GLN CB C 106 29.148 29.148 29.041 0.107 19425 8164 1 10 . 1 1 106 106 GLN H H 106 7.944 7.944 7.910 0.034 19425 8165 1 10 . 1 1 107 107 GLY N N 107 107.494 107.494 107.174 0.320 19425 8166 1 10 . 1 1 107 107 GLY C C 107 177.597 177.597 175.029 2.568 19425 8167 1 10 . 1 1 107 107 GLY CA C 107 45.975 45.975 45.331 0.644 19425 8168 1 10 . 1 1 107 107 GLY H H 107 7.852 7.852 7.924 -0.072 19425 8169 1 10 . 1 1 108 108 GLY N N 108 109.642 109.642 109.280 0.362 19425 8170 1 10 . 1 1 108 108 GLY C C 108 174.740 174.740 173.062 1.678 19425 8171 1 10 . 1 1 108 108 GLY CA C 108 45.151 45.151 44.832 0.319 19425 8172 1 10 . 1 1 108 108 GLY H H 108 8.313 8.313 7.847 0.466 19425 8173 1 10 . 1 1 109 109 GLY N N 109 108.058 108.058 107.130 0.928 19425 8174 1 10 . 1 1 109 109 GLY C C 109 174.313 174.313 172.683 1.630 19425 8175 1 10 . 1 1 109 109 GLY CA C 109 44.659 44.659 44.686 -0.027 19425 8176 1 10 . 1 1 109 109 GLY H H 109 8.059 8.059 7.574 0.485 19425 8177 1 10 . 1 1 110 110 HIS N N 110 118.432 118.432 118.696 -0.264 19425 8178 1 10 . 1 1 110 110 HIS C C 110 173.348 173.348 175.061 -1.713 19425 8179 1 10 . 1 1 110 110 HIS CA C 110 55.590 55.590 56.551 -0.961 19425 8180 1 10 . 1 1 110 110 HIS CB C 110 28.502 28.502 31.179 -2.677 19425 8181 1 10 . 1 1 110 110 HIS H H 110 8.261 8.261 8.502 -0.241 19425 8182 1 10 . 1 1 111 111 ARG N N 111 122.052 122.052 117.559 4.493 19425 8183 1 10 . 1 1 111 111 ARG C C 111 174.908 174.908 174.849 0.059 19425 8184 1 10 . 1 1 111 111 ARG CA C 111 55.233 55.233 55.265 -0.032 19425 8185 1 10 . 1 1 111 111 ARG CB C 111 31.125 31.125 32.709 -1.584 19425 8186 1 10 . 1 1 111 111 ARG H H 111 8.597 8.597 8.798 -0.201 19425 8187 1 10 . 1 1 112 112 THR N N 112 120.248 120.248 118.252 1.996 19425 8188 1 10 . 1 1 112 112 THR C C 112 176.447 176.447 174.544 1.903 19425 8189 1 10 . 1 1 112 112 THR CA C 112 63.723 63.723 63.037 0.686 19425 8190 1 10 . 1 1 112 112 THR CB C 112 68.984 68.984 69.433 -0.449 19425 8191 1 10 . 1 1 112 112 THR H H 112 8.577 8.577 8.355 0.222 19425 8192 1 10 . 1 1 113 113 LEU N N 113 130.382 130.382 125.890 4.492 19425 8193 1 10 . 1 1 113 113 LEU C C 113 174.294 174.294 175.272 -0.978 19425 8194 1 10 . 1 1 113 113 LEU CA C 113 56.791 56.791 54.840 1.951 19425 8195 1 10 . 1 1 113 113 LEU CB C 113 41.705 41.705 42.759 -1.054 19425 8196 1 10 . 1 1 113 113 LEU H H 113 8.515 8.515 8.764 -0.249 19425 8197 1 10 . 1 1 114 114 LEU N N 114 118.829 118.829 122.250 -3.421 19425 8198 1 10 . 1 1 114 114 LEU C C 114 175.278 175.278 176.684 -1.406 19425 8199 1 10 . 1 1 114 114 LEU CA C 114 51.667 51.667 52.547 -0.880 19425 8200 1 10 . 1 1 114 114 LEU CB C 114 42.454 42.454 44.164 -1.710 19425 8201 1 10 . 1 1 114 114 LEU H H 114 6.454 6.454 8.096 -1.642 19425 8202 1 10 . 1 1 115 115 TYR N N 115 119.059 119.059 121.379 -2.320 19425 8203 1 10 . 1 1 115 115 TYR C C 115 177.152 177.152 177.360 -0.208 19425 8204 1 10 . 1 1 115 115 TYR CA C 115 62.452 62.452 60.711 1.741 19425 8205 1 10 . 1 1 115 115 TYR CB C 115 38.058 38.058 37.974 0.084 19425 8206 1 10 . 1 1 115 115 TYR H H 115 8.797 8.797 8.711 0.086 19425 8207 1 10 . 1 1 116 116 GLY N N 116 115.795 115.795 113.287 2.508 19425 8208 1 10 . 1 1 116 116 GLY C C 116 178.061 178.061 173.953 4.108 19425 8209 1 10 . 1 1 116 116 GLY CA C 116 45.100 45.100 45.101 -0.001 19425 8210 1 10 . 1 1 116 116 GLY H H 116 9.672 9.672 9.146 0.526 19425 8211 1 10 . 1 1 117 117 HIS N N 117 122.193 122.193 121.589 0.604 19425 8212 1 10 . 1 1 117 117 HIS C C 117 175.463 175.463 173.805 1.658 19425 8213 1 10 . 1 1 117 117 HIS CA C 117 56.119 56.119 55.774 0.345 19425 8214 1 10 . 1 1 117 117 HIS CB C 117 32.293 32.293 30.372 1.921 19425 8215 1 10 . 1 1 117 117 HIS H H 117 8.113 8.113 7.851 0.262 19425 8216 1 10 . 1 1 118 118 ALA N N 118 120.893 120.893 126.526 -5.633 19425 8217 1 10 . 1 1 118 118 ALA C C 118 173.775 173.775 176.119 -2.344 19425 8218 1 10 . 1 1 118 118 ALA CA C 118 50.378 50.378 51.413 -1.035 19425 8219 1 10 . 1 1 118 118 ALA CB C 118 21.646 21.646 19.632 2.014 19425 8220 1 10 . 1 1 118 118 ALA H H 118 9.458 9.458 8.954 0.504 19425 8221 1 10 . 1 1 120 120 LEU N N 120 119.631 119.631 124.081 -4.450 19425 8222 1 10 . 1 1 120 120 LEU C C 120 173.367 173.367 174.762 -1.395 19425 8223 1 10 . 1 1 120 120 LEU CA C 120 56.217 56.217 52.907 3.309 19425 8224 1 10 . 1 1 120 120 LEU CB C 120 39.519 39.519 43.998 -4.479 19425 8225 1 10 . 1 1 120 120 LEU H H 120 8.746 8.746 8.268 0.478 19425 8226 1 10 . 1 1 121 121 LEU N N 121 118.900 118.900 126.978 -8.078 19425 8227 1 10 . 1 1 121 121 LEU C C 121 171.400 171.400 175.769 -4.369 19425 8228 1 10 . 1 1 121 121 LEU CA C 121 52.852 52.852 53.706 -0.854 19425 8229 1 10 . 1 1 121 121 LEU CB C 121 43.452 43.452 42.779 0.673 19425 8230 1 10 . 1 1 121 121 LEU H H 121 8.590 8.590 8.628 -0.038 19425 8231 1 10 . 1 1 122 122 ARG N N 122 123.588 123.588 124.988 -1.400 19425 8232 1 10 . 1 1 122 122 ARG C C 122 176.465 176.465 175.513 0.952 19425 8233 1 10 . 1 1 122 122 ARG CA C 122 54.403 54.403 53.983 0.420 19425 8234 1 10 . 1 1 122 122 ARG CB C 122 32.897 32.897 31.684 1.213 19425 8235 1 10 . 1 1 122 122 ARG H H 122 9.077 9.077 8.857 0.220 19425 8236 1 10 . 1 1 123 123 HIS N N 123 131.440 131.440 128.037 3.403 19425 8237 1 10 . 1 1 123 123 HIS C C 123 175.704 175.704 175.724 -0.020 19425 8238 1 10 . 1 1 123 123 HIS CA C 123 56.637 56.637 56.786 -0.149 19425 8239 1 10 . 1 1 123 123 HIS CB C 123 31.261 31.261 30.090 1.171 19425 8240 1 10 . 1 1 123 123 HIS H H 123 9.622 9.622 8.549 1.073 19425 8241 1 10 . 1 1 124 124 SER N N 124 127.024 127.024 124.747 2.277 19425 8242 1 10 . 1 1 124 124 SER C C 124 175.686 175.686 175.802 -0.116 19425 8243 1 10 . 1 1 124 124 SER CA C 124 62.010 62.010 62.238 -0.228 19425 8244 1 10 . 1 1 124 124 SER CB C 124 62.912 62.912 63.072 -0.160 19425 8245 1 10 . 1 1 124 124 SER H H 124 7.840 7.840 7.848 -0.008 19425 8246 1 10 . 1 1 125 125 TYR N N 125 119.708 119.708 120.483 -0.775 19425 8247 1 10 . 1 1 125 125 TYR C C 125 180.696 180.696 176.900 3.796 19425 8248 1 10 . 1 1 125 125 TYR CA C 125 60.903 60.903 60.542 0.360 19425 8249 1 10 . 1 1 125 125 TYR CB C 125 38.744 38.744 38.455 0.290 19425 8250 1 10 . 1 1 125 125 TYR H H 125 8.746 8.746 7.453 1.293 19425 8251 1 10 . 1 1 126 126 SER N N 126 110.333 110.333 112.417 -2.084 19425 8252 1 10 . 1 1 126 126 SER C C 126 176.543 176.543 176.085 0.458 19425 8253 1 10 . 1 1 126 126 SER CA C 126 59.366 59.366 59.302 0.064 19425 8254 1 10 . 1 1 126 126 SER CB C 126 65.282 65.282 64.643 0.639 19425 8255 1 10 . 1 1 126 126 SER H H 126 7.004 7.004 7.955 -0.951 19425 8256 1 10 . 1 1 127 127 GLY N N 127 113.322 113.322 110.275 3.047 19425 8257 1 10 . 1 1 127 127 GLY C C 127 176.428 176.428 174.468 1.960 19425 8258 1 10 . 1 1 127 127 GLY CA C 127 46.064 46.064 45.390 0.674 19425 8259 1 10 . 1 1 127 127 GLY H H 127 8.181 8.181 8.369 -0.188 19425 8260 1 10 . 1 1 128 128 MET N N 128 118.598 118.598 119.503 -0.905 19425 8261 1 10 . 1 1 128 128 MET C C 128 173.200 173.200 175.132 -1.932 19425 8262 1 10 . 1 1 128 128 MET CA C 128 55.429 55.429 56.577 -1.148 19425 8263 1 10 . 1 1 128 128 MET CB C 128 35.988 35.988 34.212 1.776 19425 8264 1 10 . 1 1 128 128 MET H H 128 7.551 7.551 7.483 0.068 19425 8265 1 10 . 1 1 129 129 TYR N N 129 116.715 116.715 114.479 2.236 19425 8266 1 10 . 1 1 129 129 TYR C C 129 172.884 172.884 175.824 -2.940 19425 8267 1 10 . 1 1 129 129 TYR CA C 129 58.658 58.658 57.158 1.500 19425 8268 1 10 . 1 1 129 129 TYR CB C 129 40.914 40.914 41.228 -0.314 19425 8269 1 10 . 1 1 129 129 TYR H H 129 8.923 8.923 8.571 0.352 19425 8270 1 10 . 1 1 130 130 LEU N N 130 123.061 123.061 125.652 -2.591 19425 8271 1 10 . 1 1 130 130 LEU C C 130 176.677 176.677 176.748 -0.071 19425 8272 1 10 . 1 1 130 130 LEU CA C 130 56.311 56.311 56.253 0.058 19425 8273 1 10 . 1 1 130 130 LEU CB C 130 42.909 42.909 42.350 0.559 19425 8274 1 10 . 1 1 130 130 LEU H H 130 8.236 8.236 8.925 -0.689 19425 8275 1 10 . 1 1 131 131 CYS N N 131 126.618 126.618 124.312 2.306 19425 8276 1 10 . 1 1 131 131 CYS C C 131 177.616 177.616 173.307 4.309 19425 8277 1 10 . 1 1 131 131 CYS CA C 131 57.028 57.028 55.919 1.109 19425 8278 1 10 . 1 1 131 131 CYS CB C 131 32.339 32.339 31.387 0.952 19425 8279 1 10 . 1 1 131 131 CYS H H 131 9.516 9.516 9.458 0.058 19425 8280 1 10 . 1 1 132 132 CYS N N 132 124.860 124.860 123.629 1.231 19425 8281 1 10 . 1 1 132 132 CYS C C 132 172.309 172.309 174.471 -2.162 19425 8282 1 10 . 1 1 132 132 CYS CA C 132 59.436 59.436 57.322 2.114 19425 8283 1 10 . 1 1 132 132 CYS CB C 132 27.383 27.383 26.285 1.098 19425 8284 1 10 . 1 1 132 132 CYS H H 132 8.142 8.142 8.217 -0.075 19425 8285 1 10 . 1 1 133 133 LEU N N 133 131.382 131.382 128.572 2.810 19425 8286 1 10 . 1 1 133 133 LEU C C 133 174.035 174.035 177.849 -3.814 19425 8287 1 10 . 1 1 133 133 LEU CA C 133 54.799 54.799 54.299 0.500 19425 8288 1 10 . 1 1 133 133 LEU CB C 133 41.109 41.109 42.874 -1.765 19425 8289 1 10 . 1 1 133 133 LEU H H 133 9.008 9.008 8.510 0.498 19425 8290 1 10 . 1 1 134 134 SER N N 134 112.103 112.103 113.304 -1.201 19425 8291 1 10 . 1 1 134 134 SER C C 134 175.519 175.519 174.353 1.166 19425 8292 1 10 . 1 1 134 134 SER CA C 134 58.320 58.320 58.640 -0.320 19425 8293 1 10 . 1 1 134 134 SER CB C 134 63.979 63.979 62.995 0.984 19425 8294 1 10 . 1 1 134 134 SER H H 134 8.229 8.229 8.247 -0.018 19425 8295 1 10 . 1 1 135 135 THR N N 135 111.693 111.693 112.293 -0.600 19425 8296 1 10 . 1 1 135 135 THR C C 135 174.535 174.535 175.021 -0.486 19425 8297 1 10 . 1 1 135 135 THR CA C 135 60.703 60.703 60.835 -0.132 19425 8298 1 10 . 1 1 135 135 THR CB C 135 70.624 70.624 70.353 0.271 19425 8299 1 10 . 1 1 135 135 THR H H 135 7.292 7.292 7.510 -0.218 19425 8300 1 10 . 1 1 136 136 SER N N 136 117.260 117.260 122.651 -5.391 19425 8301 1 10 . 1 1 136 136 SER C C 136 173.478 173.478 174.700 -1.222 19425 8302 1 10 . 1 1 136 136 SER CA C 136 57.537 57.537 62.279 -4.742 19425 8303 1 10 . 1 1 136 136 SER CB C 136 64.593 64.593 63.798 0.795 19425 8304 1 10 . 1 1 136 136 SER H H 136 8.544 8.544 9.116 -0.572 19425 8305 1 10 . 1 1 137 137 ARG N N 137 124.804 124.804 115.628 9.176 19425 8306 1 10 . 1 1 137 137 ARG C C 137 175.000 175.000 174.842 0.158 19425 8307 1 10 . 1 1 137 137 ARG CA C 137 56.922 56.922 57.074 -0.152 19425 8308 1 10 . 1 1 137 137 ARG CB C 137 30.733 30.733 30.663 0.070 19425 8309 1 10 . 1 1 137 137 ARG H H 137 9.231 9.231 8.228 1.003 19425 8310 1 10 . 1 1 138 138 SER N N 138 126.225 126.225 114.560 11.665 19425 8311 1 10 . 1 1 138 138 SER C C 138 175.871 175.871 174.277 1.594 19425 8312 1 10 . 1 1 138 138 SER CA C 138 61.891 61.891 58.507 3.384 19425 8313 1 10 . 1 1 138 138 SER CB C 138 62.730 62.730 63.780 -1.050 19425 8314 1 10 . 1 1 138 138 SER H H 138 7.891 7.891 8.222 -0.331 19425 8315 1 10 . 1 1 140 140 THR N N 140 114.799 114.799 110.651 4.148 19425 8316 1 10 . 1 1 140 140 THR C C 140 173.756 173.756 174.326 -0.570 19425 8317 1 10 . 1 1 140 140 THR CA C 140 62.895 62.895 62.339 0.556 19425 8318 1 10 . 1 1 140 140 THR CB C 140 69.332 69.332 69.487 -0.155 19425 8319 1 10 . 1 1 140 140 THR H H 140 8.168 8.168 8.272 -0.104 19425 8320 1 10 . 1 1 141 141 ASP N N 141 121.772 121.772 119.138 2.634 19425 8321 1 10 . 1 1 141 141 ASP C C 141 174.795 174.795 175.086 -0.291 19425 8322 1 10 . 1 1 141 141 ASP CA C 141 54.001 54.001 52.759 1.242 19425 8323 1 10 . 1 1 141 141 ASP CB C 141 40.914 40.914 43.124 -2.210 19425 8324 1 10 . 1 1 141 141 ASP H H 141 8.049 8.049 7.709 0.340 19425 8325 1 10 . 1 1 142 142 LYS N N 142 121.585 121.585 117.696 3.889 19425 8326 1 10 . 1 1 142 142 LYS C C 142 176.274 176.274 176.814 -0.540 19425 8327 1 10 . 1 1 142 142 LYS CA C 142 57.106 57.106 55.544 1.562 19425 8328 1 10 . 1 1 142 142 LYS CB C 142 31.369 31.369 33.387 -2.018 19425 8329 1 10 . 1 1 142 142 LYS H H 142 8.376 8.376 8.425 -0.049 19425 8330 1 10 . 1 1 143 143 LEU N N 143 119.604 119.604 121.412 -1.808 19425 8331 1 10 . 1 1 143 143 LEU C C 143 176.798 176.798 176.955 -0.157 19425 8332 1 10 . 1 1 143 143 LEU CA C 143 55.261 55.261 57.017 -1.756 19425 8333 1 10 . 1 1 143 143 LEU CB C 143 41.487 41.487 41.263 0.224 19425 8334 1 10 . 1 1 143 143 LEU H H 143 8.262 8.262 7.901 0.361 19425 8335 1 10 . 1 1 144 144 ALA N N 144 123.881 123.881 116.527 7.354 19425 8336 1 10 . 1 1 144 144 ALA C C 144 176.410 176.410 176.733 -0.323 19425 8337 1 10 . 1 1 144 144 ALA CA C 144 51.335 51.335 50.626 0.709 19425 8338 1 10 . 1 1 144 144 ALA CB C 144 20.924 20.924 20.840 0.084 19425 8339 1 10 . 1 1 144 144 ALA H H 144 7.614 7.614 7.696 -0.082 19425 8340 1 10 . 1 1 145 145 PHE N N 145 120.083 120.083 118.296 1.787 19425 8341 1 10 . 1 1 145 145 PHE C C 145 176.948 176.948 175.628 1.320 19425 8342 1 10 . 1 1 145 145 PHE CA C 145 55.872 55.872 56.855 -0.983 19425 8343 1 10 . 1 1 145 145 PHE CB C 145 42.468 42.468 41.149 1.319 19425 8344 1 10 . 1 1 145 145 PHE H H 145 8.647 8.647 8.710 -0.063 19425 8345 1 10 . 1 1 146 146 ASP N N 146 119.893 119.893 120.259 -0.366 19425 8346 1 10 . 1 1 146 146 ASP C C 146 175.519 175.519 174.492 1.027 19425 8347 1 10 . 1 1 146 146 ASP CA C 146 54.679 54.679 54.680 -0.001 19425 8348 1 10 . 1 1 146 146 ASP CB C 146 42.169 42.169 42.855 -0.686 19425 8349 1 10 . 1 1 146 146 ASP H H 146 8.692 8.692 9.068 -0.376 19425 8350 1 10 . 1 1 147 147 VAL N N 147 118.800 118.800 121.825 -3.025 19425 8351 1 10 . 1 1 147 147 VAL C C 147 174.053 174.053 175.303 -1.250 19425 8352 1 10 . 1 1 147 147 VAL CA C 147 60.671 60.671 61.308 -0.637 19425 8353 1 10 . 1 1 147 147 VAL CB C 147 35.326 35.326 32.995 2.330 19425 8354 1 10 . 1 1 147 147 VAL H H 147 8.224 8.224 8.687 -0.463 19425 8355 1 10 . 1 1 148 148 GLY N N 148 113.226 113.226 114.755 -1.529 19425 8356 1 10 . 1 1 148 148 GLY C C 148 175.141 175.141 172.122 3.019 19425 8357 1 10 . 1 1 148 148 GLY CA C 148 45.384 45.384 43.669 1.715 19425 8358 1 10 . 1 1 148 148 GLY H H 148 8.594 8.594 8.816 -0.222 19425 8359 1 10 . 1 1 149 149 LEU N N 149 120.880 120.880 119.568 1.312 19425 8360 1 10 . 1 1 149 149 LEU C C 149 170.973 170.973 175.257 -4.284 19425 8361 1 10 . 1 1 149 149 LEU CA C 149 53.299 53.299 53.699 -0.400 19425 8362 1 10 . 1 1 149 149 LEU CB C 149 43.938 43.938 45.498 -1.560 19425 8363 1 10 . 1 1 149 149 LEU H H 149 8.303 8.303 8.059 0.244 19425 8364 1 10 . 1 1 150 150 GLN N N 150 118.978 118.978 120.131 -1.153 19425 8365 1 10 . 1 1 150 150 GLN C C 150 177.133 177.133 175.716 1.417 19425 8366 1 10 . 1 1 150 150 GLN CA C 150 54.723 54.723 55.088 -0.365 19425 8367 1 10 . 1 1 150 150 GLN CB C 150 32.690 32.690 32.508 0.182 19425 8368 1 10 . 1 1 150 150 GLN H H 150 9.115 9.115 8.675 0.440 19425 8369 1 10 . 1 1 151 151 GLU N N 151 121.344 121.344 123.718 -2.374 19425 8370 1 10 . 1 1 151 151 GLU C C 151 175.333 175.333 175.985 -0.652 19425 8371 1 10 . 1 1 151 151 GLU CA C 151 59.140 59.140 58.191 0.949 19425 8372 1 10 . 1 1 151 151 GLU CB C 151 30.735 30.735 29.897 0.838 19425 8373 1 10 . 1 1 151 151 GLU H H 151 9.142 9.142 8.761 0.381 19425 8374 1 10 . 1 1 152 152 ASP N N 152 117.494 117.494 118.973 -1.479 19425 8375 1 10 . 1 1 152 152 ASP C C 152 176.391 176.391 177.100 -0.709 19425 8376 1 10 . 1 1 152 152 ASP CA C 152 54.139 54.139 54.603 -0.464 19425 8377 1 10 . 1 1 152 152 ASP CB C 152 41.920 41.920 41.582 0.338 19425 8378 1 10 . 1 1 152 152 ASP H H 152 8.023 8.023 8.187 -0.164 19425 8379 1 10 . 1 1 153 153 THR N N 153 111.969 111.969 109.231 2.738 19425 8380 1 10 . 1 1 153 153 THR C C 153 175.964 175.964 174.404 1.560 19425 8381 1 10 . 1 1 153 153 THR CA C 153 61.894 61.894 61.948 -0.054 19425 8382 1 10 . 1 1 153 153 THR CB C 153 68.903 68.903 69.371 -0.468 19425 8383 1 10 . 1 1 153 153 THR H H 153 7.985 7.985 8.196 -0.211 19425 8384 1 10 . 1 1 154 154 THR N N 154 113.978 113.978 114.235 -0.257 19425 8385 1 10 . 1 1 154 154 THR C C 154 175.000 175.000 175.264 -0.264 19425 8386 1 10 . 1 1 154 154 THR CA C 154 62.359 62.359 63.773 -1.414 19425 8387 1 10 . 1 1 154 154 THR CB C 154 69.210 69.210 68.615 0.595 19425 8388 1 10 . 1 1 154 154 THR H H 154 7.790 7.790 7.730 0.060 19425 8389 1 10 . 1 1 155 155 GLY N N 155 108.411 108.411 114.177 -5.766 19425 8390 1 10 . 1 1 155 155 GLY C C 155 174.702 174.702 172.422 2.280 19425 8391 1 10 . 1 1 155 155 GLY CA C 155 44.737 44.737 44.798 -0.061 19425 8392 1 10 . 1 1 155 155 GLY H H 155 7.639 7.639 8.100 -0.461 19425 8393 1 10 . 1 1 156 156 GLU N N 156 118.666 118.666 120.577 -1.911 19425 8394 1 10 . 1 1 156 156 GLU C C 156 173.571 173.571 177.798 -4.227 19425 8395 1 10 . 1 1 156 156 GLU CA C 156 59.352 59.352 56.966 2.386 19425 8396 1 10 . 1 1 156 156 GLU CB C 156 31.248 31.248 30.480 0.768 19425 8397 1 10 . 1 1 156 156 GLU H H 156 8.606 8.606 8.700 -0.094 19425 8398 1 10 . 1 1 157 157 ALA N N 157 118.664 118.664 123.597 -4.933 19425 8399 1 10 . 1 1 157 157 ALA C C 157 177.727 177.727 178.363 -0.636 19425 8400 1 10 . 1 1 157 157 ALA CA C 157 55.063 55.063 54.750 0.313 19425 8401 1 10 . 1 1 157 157 ALA CB C 157 18.856 18.856 18.213 0.643 19425 8402 1 10 . 1 1 157 157 ALA H H 157 8.159 8.159 8.559 -0.400 19425 8403 1 10 . 1 1 158 158 CYS N N 158 114.681 114.681 114.718 -0.037 19425 8404 1 10 . 1 1 158 158 CYS C C 158 179.972 179.972 173.562 6.410 19425 8405 1 10 . 1 1 158 158 CYS CA C 158 57.585 57.585 58.379 -0.794 19425 8406 1 10 . 1 1 158 158 CYS CB C 158 27.977 27.977 27.147 0.830 19425 8407 1 10 . 1 1 158 158 CYS H H 158 7.973 7.973 8.232 -0.259 19425 8408 1 10 . 1 1 165 165 ALA N N 165 122.416 122.416 127.766 -5.350 19425 8409 1 10 . 1 1 165 165 ALA C C 165 176.743 176.743 177.821 -1.078 19425 8410 1 10 . 1 1 165 165 ALA CA C 165 52.390 52.390 53.888 -1.498 19425 8411 1 10 . 1 1 165 165 ALA CB C 165 20.486 20.486 19.359 1.127 19425 8412 1 10 . 1 1 165 165 ALA H H 165 8.190 8.190 8.600 -0.410 19425 8413 1 10 . 1 1 166 166 SER N N 166 111.681 111.681 112.610 -0.929 19425 8414 1 10 . 1 1 166 166 SER C C 166 176.876 176.876 173.924 2.952 19425 8415 1 10 . 1 1 166 166 SER CA C 166 56.863 56.863 57.231 -0.368 19425 8416 1 10 . 1 1 166 166 SER CB C 166 65.738 65.738 64.617 1.121 19425 8417 1 10 . 1 1 166 166 SER H H 166 7.690 7.690 7.783 -0.093 19425 8418 1 10 . 1 1 167 167 LYS N N 167 121.655 121.655 120.029 1.626 19425 8419 1 10 . 1 1 167 167 LYS C C 167 175.241 175.241 176.397 -1.156 19425 8420 1 10 . 1 1 167 167 LYS CA C 167 55.297 55.297 56.462 -1.165 19425 8421 1 10 . 1 1 167 167 LYS CB C 167 31.364 31.364 32.835 -1.471 19425 8422 1 10 . 1 1 167 167 LYS H H 167 8.230 8.230 8.437 -0.207 19425 8423 1 10 . 1 1 168 168 GLN N N 168 117.832 117.832 117.615 0.217 19425 8424 1 10 . 1 1 168 168 GLN C C 168 176.836 176.836 176.212 0.624 19425 8425 1 10 . 1 1 168 168 GLN CA C 168 57.366 57.366 56.525 0.841 19425 8426 1 10 . 1 1 168 168 GLN CB C 168 28.979 28.979 28.785 0.194 19425 8427 1 10 . 1 1 168 168 GLN H H 168 8.134 8.134 7.950 0.184 19425 8428 1 10 . 1 1 169 169 ARG N N 169 117.052 117.052 119.238 -2.186 19425 8429 1 10 . 1 1 169 169 ARG C C 169 175.946 175.946 175.371 0.575 19425 8430 1 10 . 1 1 169 169 ARG CA C 169 52.885 52.885 54.969 -2.084 19425 8431 1 10 . 1 1 169 169 ARG CB C 169 32.795 32.795 30.525 2.270 19425 8432 1 10 . 1 1 169 169 ARG H H 169 7.209 7.209 7.883 -0.674 19425 8433 1 10 . 1 1 170 170 SER N N 170 114.335 114.335 115.122 -0.787 19425 8434 1 10 . 1 1 170 170 SER C C 170 174.387 174.387 173.607 0.780 19425 8435 1 10 . 1 1 170 170 SER CA C 170 56.976 56.976 56.724 0.252 19425 8436 1 10 . 1 1 170 170 SER CB C 170 66.348 66.348 67.085 -0.737 19425 8437 1 10 . 1 1 170 170 SER H H 170 8.279 8.279 8.465 -0.186 19425 8438 1 10 . 1 1 171 171 GLU N N 171 121.428 121.428 120.112 1.316 19425 8439 1 10 . 1 1 171 171 GLU C C 171 173.293 173.293 177.274 -3.981 19425 8440 1 10 . 1 1 171 171 GLU CA C 171 58.658 58.658 57.424 1.234 19425 8441 1 10 . 1 1 171 171 GLU CB C 171 28.693 28.693 28.794 -0.101 19425 8442 1 10 . 1 1 171 171 GLU H H 171 8.540 8.540 8.701 -0.161 19425 8443 1 10 . 1 1 172 172 GLY N N 172 113.162 113.162 114.268 -1.106 19425 8444 1 10 . 1 1 172 172 GLY C C 172 177.504 177.504 174.571 2.933 19425 8445 1 10 . 1 1 172 172 GLY CA C 172 45.452 45.452 44.958 0.494 19425 8446 1 10 . 1 1 172 172 GLY H H 172 8.676 8.676 9.066 -0.390 19425 8447 1 10 . 1 1 173 173 GLU N N 173 119.545 119.545 121.361 -1.816 19425 8448 1 10 . 1 1 173 173 GLU C C 173 173.311 173.311 176.064 -2.753 19425 8449 1 10 . 1 1 173 173 GLU CA C 173 55.689 55.689 56.674 -0.985 19425 8450 1 10 . 1 1 173 173 GLU CB C 173 31.204 31.204 30.792 0.412 19425 8451 1 10 . 1 1 173 173 GLU H H 173 7.805 7.805 7.828 -0.023 19425 8452 1 10 . 1 1 174 174 LYS N N 174 120.834 120.834 121.122 -0.288 19425 8453 1 10 . 1 1 174 174 LYS C C 174 175.352 175.352 176.873 -1.521 19425 8454 1 10 . 1 1 174 174 LYS CA C 174 57.207 57.207 56.966 0.241 19425 8455 1 10 . 1 1 174 174 LYS CB C 174 34.185 34.185 32.892 1.294 19425 8456 1 10 . 1 1 174 174 LYS H H 174 8.215 8.215 8.510 -0.295 19425 8457 1 10 . 1 1 175 175 VAL N N 175 122.529 122.529 124.823 -2.294 19425 8458 1 10 . 1 1 175 175 VAL C C 175 176.595 176.595 175.143 1.452 19425 8459 1 10 . 1 1 175 175 VAL CA C 175 63.046 63.046 61.889 1.157 19425 8460 1 10 . 1 1 175 175 VAL CB C 175 31.265 31.265 31.904 -0.639 19425 8461 1 10 . 1 1 175 175 VAL H H 175 7.914 7.914 8.526 -0.612 19425 8462 1 10 . 1 1 176 176 ARG N N 176 127.622 127.622 127.497 0.125 19425 8463 1 10 . 1 1 176 176 ARG C C 176 175.742 175.742 176.900 -1.158 19425 8464 1 10 . 1 1 176 176 ARG CA C 176 55.767 55.767 54.937 0.830 19425 8465 1 10 . 1 1 176 176 ARG CB C 176 30.480 30.480 31.337 -0.857 19425 8466 1 10 . 1 1 176 176 ARG H H 176 7.570 7.570 8.391 -0.821 19425 8467 1 10 . 1 1 177 177 VAL N N 177 122.521 122.521 122.498 0.023 19425 8468 1 10 . 1 1 177 177 VAL C C 177 177.523 177.523 177.125 0.398 19425 8469 1 10 . 1 1 177 177 VAL CA C 177 65.322 65.322 64.468 0.854 19425 8470 1 10 . 1 1 177 177 VAL CB C 177 31.431 31.431 31.350 0.081 19425 8471 1 10 . 1 1 177 177 VAL H H 177 8.276 8.276 7.980 0.296 19425 8472 1 10 . 1 1 179 179 ASP N N 179 122.577 122.577 124.103 -1.526 19425 8473 1 10 . 1 1 179 179 ASP C C 179 174.554 174.554 175.632 -1.078 19425 8474 1 10 . 1 1 179 179 ASP CA C 179 54.687 54.687 55.285 -0.598 19425 8475 1 10 . 1 1 179 179 ASP CB C 179 40.417 40.417 41.453 -1.036 19425 8476 1 10 . 1 1 179 179 ASP H H 179 7.848 7.848 7.897 -0.049 19425 8477 1 10 . 1 1 180 180 ASP N N 180 121.916 121.916 124.411 -2.495 19425 8478 1 10 . 1 1 180 180 ASP C C 180 174.610 174.610 176.167 -1.557 19425 8479 1 10 . 1 1 180 180 ASP CA C 180 54.379 54.379 55.319 -0.940 19425 8480 1 10 . 1 1 180 180 ASP CB C 180 42.178 42.178 40.941 1.237 19425 8481 1 10 . 1 1 180 180 ASP H H 180 8.521 8.521 8.559 -0.038 19425 8482 1 10 . 1 1 181 181 LEU N N 181 121.499 121.499 123.297 -1.798 19425 8483 1 10 . 1 1 181 181 LEU C C 181 175.166 175.166 176.722 -1.556 19425 8484 1 10 . 1 1 181 181 LEU CA C 181 54.379 54.379 53.674 0.705 19425 8485 1 10 . 1 1 181 181 LEU CB C 181 45.395 45.395 44.567 0.828 19425 8486 1 10 . 1 1 181 181 LEU H H 181 9.782 9.782 9.026 0.756 19425 8487 1 10 . 1 1 185 185 SER N N 185 122.939 122.939 123.315 -0.376 19425 8488 1 10 . 1 1 185 185 SER C C 185 175.871 175.871 175.665 0.206 19425 8489 1 10 . 1 1 185 185 SER CA C 185 57.514 57.514 59.491 -1.977 19425 8490 1 10 . 1 1 185 185 SER CB C 185 62.772 62.772 63.050 -0.278 19425 8491 1 10 . 1 1 185 185 SER H H 185 9.183 9.183 9.017 0.166 19425 8492 1 10 . 1 1 186 186 VAL N N 186 131.799 131.799 128.076 3.723 19425 8493 1 10 . 1 1 186 186 VAL C C 186 177.226 177.226 177.095 0.131 19425 8494 1 10 . 1 1 186 186 VAL CA C 186 65.883 65.883 65.885 -0.002 19425 8495 1 10 . 1 1 186 186 VAL CB C 186 31.190 31.190 31.811 -0.621 19425 8496 1 10 . 1 1 186 186 VAL H H 186 8.285 8.285 8.264 0.021 19425 8497 1 10 . 1 1 187 187 SER N N 187 110.228 110.228 113.835 -3.607 19425 8498 1 10 . 1 1 187 187 SER C C 187 177.077 177.077 174.697 2.380 19425 8499 1 10 . 1 1 187 187 SER CA C 187 60.200 60.200 60.087 0.114 19425 8500 1 10 . 1 1 187 187 SER CB C 187 62.264 62.264 63.140 -0.876 19425 8501 1 10 . 1 1 187 187 SER H H 187 7.000 7.000 7.951 -0.951 19425 8502 1 10 . 1 1 188 188 SER N N 188 115.022 115.022 112.947 2.075 19425 8503 1 10 . 1 1 188 188 SER C C 188 176.632 176.632 174.305 2.327 19425 8504 1 10 . 1 1 188 188 SER CA C 188 58.889 58.889 57.879 1.010 19425 8505 1 10 . 1 1 188 188 SER CB C 188 66.818 66.818 64.147 2.671 19425 8506 1 10 . 1 1 188 188 SER H H 188 7.886 7.886 7.653 0.233 19425 8507 1 10 . 1 1 189 189 GLU N N 189 118.477 118.477 118.778 -0.301 19425 8508 1 10 . 1 1 189 189 GLU C C 189 175.000 175.000 174.627 0.373 19425 8509 1 10 . 1 1 189 189 GLU CA C 189 58.562 58.562 58.003 0.559 19425 8510 1 10 . 1 1 189 189 GLU CB C 189 27.420 27.420 27.143 0.277 19425 8511 1 10 . 1 1 189 189 GLU H H 189 7.929 7.929 8.501 -0.572 19425 8512 1 10 . 1 1 190 190 ARG N N 190 116.828 116.828 117.438 -0.610 19425 8513 1 10 . 1 1 190 190 ARG C C 190 173.868 173.868 176.158 -2.290 19425 8514 1 10 . 1 1 190 190 ARG CA C 190 54.238 54.238 54.541 -0.303 19425 8515 1 10 . 1 1 190 190 ARG CB C 190 32.141 32.141 32.625 -0.484 19425 8516 1 10 . 1 1 190 190 ARG H H 190 6.723 6.723 7.230 -0.507 19425 8517 1 10 . 1 1 191 191 TYR N N 191 118.733 118.733 121.815 -3.082 19425 8518 1 10 . 1 1 191 191 TYR C C 191 174.368 174.368 177.350 -2.982 19425 8519 1 10 . 1 1 191 191 TYR CA C 191 57.405 57.405 58.697 -1.292 19425 8520 1 10 . 1 1 191 191 TYR CB C 191 39.444 39.444 39.434 0.010 19425 8521 1 10 . 1 1 191 191 TYR H H 191 8.912 8.912 9.008 -0.096 19425 8522 1 10 . 1 1 192 192 LEU N N 192 123.460 123.460 124.668 -1.208 19425 8523 1 10 . 1 1 192 192 LEU C C 192 176.753 176.753 176.135 0.618 19425 8524 1 10 . 1 1 192 192 LEU CA C 192 57.061 57.061 54.194 2.867 19425 8525 1 10 . 1 1 192 192 LEU CB C 192 41.351 41.351 40.565 0.786 19425 8526 1 10 . 1 1 192 192 LEU H H 192 8.836 8.836 8.904 -0.068 19425 8527 1 10 . 1 1 193 193 HIS N N 193 134.195 134.195 125.160 9.035 19425 8528 1 10 . 1 1 193 193 HIS C C 193 178.766 178.766 174.487 4.279 19425 8529 1 10 . 1 1 193 193 HIS CA C 193 56.349 56.349 56.202 0.147 19425 8530 1 10 . 1 1 193 193 HIS CB C 193 31.613 31.613 31.740 -0.127 19425 8531 1 10 . 1 1 193 193 HIS H H 193 10.227 10.227 8.925 1.302 19425 8532 1 10 . 1 1 194 194 LEU N N 194 128.500 128.500 127.219 1.281 19425 8533 1 10 . 1 1 194 194 LEU C C 194 170.268 170.268 175.349 -5.081 19425 8534 1 10 . 1 1 194 194 LEU CA C 194 54.139 54.139 53.596 0.543 19425 8535 1 10 . 1 1 194 194 LEU CB C 194 44.036 44.036 43.741 0.295 19425 8536 1 10 . 1 1 194 194 LEU H H 194 7.784 7.784 7.689 0.095 19425 8537 1 10 . 1 1 195 195 SER N N 195 122.195 122.195 122.544 -0.349 19425 8538 1 10 . 1 1 195 195 SER C C 195 174.740 174.740 173.448 1.292 19425 8539 1 10 . 1 1 195 195 SER CA C 195 56.814 56.814 57.007 -0.193 19425 8540 1 10 . 1 1 195 195 SER CB C 195 66.260 66.260 66.031 0.229 19425 8541 1 10 . 1 1 195 195 SER H H 195 9.042 9.042 8.946 0.096 19425 8542 1 10 . 1 1 196 196 TYR N N 196 124.809 124.809 125.964 -1.155 19425 8543 1 10 . 1 1 196 196 TYR C C 196 172.439 172.439 175.664 -3.225 19425 8544 1 10 . 1 1 196 196 TYR CA C 196 57.019 57.019 56.740 0.279 19425 8545 1 10 . 1 1 196 196 TYR CB C 196 39.817 39.817 38.446 1.371 19425 8546 1 10 . 1 1 196 196 TYR H H 196 8.657 8.657 8.851 -0.194 19425 8547 1 10 . 1 1 197 197 GLY N N 197 114.111 114.111 115.082 -0.971 19425 8548 1 10 . 1 1 197 197 GLY C C 197 176.113 176.113 174.385 1.728 19425 8549 1 10 . 1 1 197 197 GLY CA C 197 45.492 45.492 44.100 1.392 19425 8550 1 10 . 1 1 197 197 GLY H H 197 8.030 8.030 8.198 -0.168 19425 8551 1 10 . 1 1 200 200 SER N N 200 113.158 113.158 116.304 -3.146 19425 8552 1 10 . 1 1 200 200 SER C C 200 172.661 172.661 171.970 0.691 19425 8553 1 10 . 1 1 200 200 SER CA C 200 56.890 56.890 57.521 -0.631 19425 8554 1 10 . 1 1 200 200 SER CB C 200 65.522 65.522 65.954 -0.432 19425 8555 1 10 . 1 1 200 200 SER H H 200 6.893 6.893 7.416 -0.523 19425 8556 1 10 . 1 1 201 201 TRP N N 201 122.521 122.521 120.418 2.103 19425 8557 1 10 . 1 1 201 201 TRP C C 201 171.813 171.813 175.997 -4.184 19425 8558 1 10 . 1 1 201 201 TRP CA C 201 56.990 56.990 56.301 0.689 19425 8559 1 10 . 1 1 201 201 TRP CB C 201 31.501 31.501 31.841 -0.340 19425 8560 1 10 . 1 1 201 201 TRP H H 201 8.243 8.243 8.187 0.056 19425 8561 1 10 . 1 1 202 202 HIS N N 202 121.171 121.171 118.843 2.328 19425 8562 1 10 . 1 1 202 202 HIS C C 202 173.805 173.805 173.728 0.077 19425 8563 1 10 . 1 1 202 202 HIS CA C 202 55.169 55.169 54.780 0.389 19425 8564 1 10 . 1 1 202 202 HIS CB C 202 32.254 32.254 34.033 -1.779 19425 8565 1 10 . 1 1 202 202 HIS H H 202 9.383 9.383 9.365 0.018 19425 8566 1 10 . 1 1 203 203 VAL N N 203 119.943 119.943 121.270 -1.327 19425 8567 1 10 . 1 1 203 203 VAL C C 203 172.439 172.439 174.414 -1.975 19425 8568 1 10 . 1 1 203 203 VAL CA C 203 58.683 58.683 59.674 -0.991 19425 8569 1 10 . 1 1 203 203 VAL CB C 203 33.957 33.957 34.587 -0.631 19425 8570 1 10 . 1 1 203 203 VAL H H 203 8.649 8.649 8.846 -0.197 19425 8571 1 10 . 1 1 204 204 ASP N N 204 127.907 127.907 126.041 1.866 19425 8572 1 10 . 1 1 204 204 ASP C C 204 173.162 173.162 173.814 -0.652 19425 8573 1 10 . 1 1 204 204 ASP CA C 204 53.545 53.545 52.901 0.643 19425 8574 1 10 . 1 1 204 204 ASP CB C 204 42.169 42.169 44.257 -2.088 19425 8575 1 10 . 1 1 204 204 ASP H H 204 9.822 9.822 8.982 0.840 19425 8576 1 10 . 1 1 205 205 ALA N N 205 121.047 121.047 121.095 -0.048 19425 8577 1 10 . 1 1 205 205 ALA C C 205 172.754 172.754 176.179 -3.425 19425 8578 1 10 . 1 1 205 205 ALA CA C 205 50.147 50.147 50.571 -0.424 19425 8579 1 10 . 1 1 205 205 ALA CB C 205 19.642 19.642 19.503 0.139 19425 8580 1 10 . 1 1 205 205 ALA H H 205 9.176 9.176 8.419 0.757 19425 8581 1 10 . 1 1 206 206 ALA N N 206 127.318 127.318 126.178 1.140 19425 8582 1 10 . 1 1 206 206 ALA C C 206 176.465 176.465 175.880 0.585 19425 8583 1 10 . 1 1 206 206 ALA CA C 206 50.609 50.609 50.398 0.211 19425 8584 1 10 . 1 1 206 206 ALA CB C 206 23.819 23.819 21.850 1.969 19425 8585 1 10 . 1 1 206 206 ALA H H 206 9.088 9.088 8.057 1.031 19425 8586 1 10 . 1 1 207 207 PHE N N 207 117.878 117.878 117.160 0.718 19425 8587 1 10 . 1 1 207 207 PHE C C 207 176.576 176.576 175.725 0.851 19425 8588 1 10 . 1 1 207 207 PHE CA C 207 59.714 59.714 58.771 0.943 19425 8589 1 10 . 1 1 207 207 PHE CB C 207 38.239 38.239 38.807 -0.568 19425 8590 1 10 . 1 1 207 207 PHE H H 207 8.953 8.953 8.478 0.475 19425 8591 1 10 . 1 1 208 208 GLN N N 208 117.531 117.531 117.318 0.213 19425 8592 1 10 . 1 1 208 208 GLN C C 208 175.166 175.166 175.308 -0.142 19425 8593 1 10 . 1 1 208 208 GLN CA C 208 55.096 55.096 54.023 1.073 19425 8594 1 10 . 1 1 208 208 GLN CB C 208 30.437 30.437 30.572 -0.135 19425 8595 1 10 . 1 1 208 208 GLN H H 208 6.613 6.613 7.722 -1.109 19425 8596 1 10 . 1 1 209 209 GLN N N 209 117.318 117.318 122.487 -5.169 19425 8597 1 10 . 1 1 209 209 GLN C C 209 173.162 173.162 175.600 -2.438 19425 8598 1 10 . 1 1 209 209 GLN CA C 209 56.217 56.217 56.740 -0.523 19425 8599 1 10 . 1 1 209 209 GLN CB C 209 29.912 29.912 29.417 0.495 19425 8600 1 10 . 1 1 209 209 GLN H H 209 8.108 8.108 8.346 -0.238 19425 8601 1 10 . 1 1 210 210 THR N N 210 116.616 116.616 114.363 2.253 19425 8602 1 10 . 1 1 210 210 THR C C 210 176.150 176.150 172.768 3.382 19425 8603 1 10 . 1 1 210 210 THR CA C 210 62.848 62.848 61.993 0.855 19425 8604 1 10 . 1 1 210 210 THR CB C 210 73.244 73.244 70.287 2.957 19425 8605 1 10 . 1 1 210 210 THR H H 210 6.641 6.641 8.269 -1.628 19425 8606 1 10 . 1 1 211 211 LEU N N 211 126.776 126.776 126.736 0.040 19425 8607 1 10 . 1 1 211 211 LEU C C 211 171.418 171.418 175.773 -4.355 19425 8608 1 10 . 1 1 211 211 LEU CA C 211 55.012 55.012 54.748 0.264 19425 8609 1 10 . 1 1 211 211 LEU CB C 211 41.627 41.627 42.194 -0.567 19425 8610 1 10 . 1 1 211 211 LEU H H 211 8.418 8.418 8.544 -0.126 19425 8611 1 10 . 1 1 212 212 TRP N N 212 124.678 124.678 124.273 0.405 19425 8612 1 10 . 1 1 212 212 TRP C C 212 175.742 175.742 175.711 0.031 19425 8613 1 10 . 1 1 212 212 TRP CA C 212 56.052 56.052 55.892 0.160 19425 8614 1 10 . 1 1 212 212 TRP CB C 212 31.169 31.169 33.143 -1.974 19425 8615 1 10 . 1 1 212 212 TRP H H 212 9.462 9.462 9.162 0.300 19425 8616 1 10 . 1 1 213 213 SER N N 213 118.197 118.197 117.189 1.008 19425 8617 1 10 . 1 1 213 213 SER C C 213 175.575 175.575 173.761 1.814 19425 8618 1 10 . 1 1 213 213 SER CA C 213 57.141 57.141 56.597 0.544 19425 8619 1 10 . 1 1 213 213 SER CB C 213 64.800 64.800 63.844 0.956 19425 8620 1 10 . 1 1 213 213 SER H H 213 9.642 9.642 9.328 0.314 19425 8621 1 10 . 1 1 214 214 VAL N N 214 125.581 125.581 129.489 -3.908 19425 8622 1 10 . 1 1 214 214 VAL C C 214 174.183 174.183 174.884 -0.701 19425 8623 1 10 . 1 1 214 214 VAL CA C 214 61.398 61.398 61.654 -0.256 19425 8624 1 10 . 1 1 214 214 VAL CB C 214 32.502 32.502 30.804 1.698 19425 8625 1 10 . 1 1 214 214 VAL H H 214 8.433 8.433 8.670 -0.237 19425 8626 1 10 . 1 1 215 215 ALA N N 215 130.074 130.074 131.880 -1.806 19425 8627 1 10 . 1 1 215 215 ALA C C 215 174.647 174.647 174.322 0.325 19425 8628 1 10 . 1 1 215 215 ALA CA C 215 49.058 49.058 48.648 0.410 19425 8629 1 10 . 1 1 215 215 ALA CB C 215 20.299 20.299 20.627 -0.328 19425 8630 1 10 . 1 1 215 215 ALA H H 215 8.572 8.572 8.388 0.184 19425 8631 1 11 . 1 1 13 13 PHE N N 13 122.001 122.001 120.989 1.012 19425 8632 1 11 . 1 1 13 13 PHE C C 13 174.608 174.608 175.732 -1.124 19425 8633 1 11 . 1 1 13 13 PHE CA C 13 56.445 56.445 55.910 0.535 19425 8634 1 11 . 1 1 13 13 PHE CB C 13 41.650 41.650 42.106 -0.456 19425 8635 1 11 . 1 1 13 13 PHE H H 13 8.209 8.209 8.189 0.020 19425 8636 1 11 . 1 1 14 14 LEU N N 14 122.475 122.475 123.506 -1.031 19425 8637 1 11 . 1 1 14 14 LEU C C 14 175.630 175.630 175.979 -0.349 19425 8638 1 11 . 1 1 14 14 LEU CA C 14 55.024 55.024 54.851 0.173 19425 8639 1 11 . 1 1 14 14 LEU CB C 14 43.987 43.987 42.002 1.986 19425 8640 1 11 . 1 1 14 14 LEU H H 14 8.264 8.264 8.989 -0.725 19425 8641 1 11 . 1 1 15 15 ARG N N 15 121.510 121.510 122.862 -1.352 19425 8642 1 11 . 1 1 15 15 ARG C C 15 175.630 175.630 177.295 -1.665 19425 8643 1 11 . 1 1 15 15 ARG CA C 15 54.007 54.007 52.859 1.148 19425 8644 1 11 . 1 1 15 15 ARG CB C 15 34.536 34.536 32.629 1.907 19425 8645 1 11 . 1 1 15 15 ARG H H 15 8.653 8.653 8.257 0.396 19425 8646 1 11 . 1 1 16 16 THR N N 16 110.840 110.840 112.348 -1.508 19425 8647 1 11 . 1 1 16 16 THR C C 16 175.946 175.946 175.465 0.481 19425 8648 1 11 . 1 1 16 16 THR CA C 16 62.950 62.950 62.732 0.218 19425 8649 1 11 . 1 1 16 16 THR CB C 16 69.276 69.276 69.490 -0.214 19425 8650 1 11 . 1 1 16 16 THR H H 16 8.815 8.815 8.549 0.266 19425 8651 1 11 . 1 1 17 17 ASP N N 17 114.036 114.036 117.144 -3.108 19425 8652 1 11 . 1 1 17 17 ASP C C 17 175.686 175.686 175.255 0.431 19425 8653 1 11 . 1 1 17 17 ASP CA C 17 57.735 57.735 57.026 0.709 19425 8654 1 11 . 1 1 17 17 ASP CB C 17 39.928 39.928 40.456 -0.528 19425 8655 1 11 . 1 1 17 17 ASP H H 17 9.241 9.241 8.982 0.259 19425 8656 1 11 . 1 1 18 18 ASP N N 18 122.062 122.062 120.733 1.329 19425 8657 1 11 . 1 1 18 18 ASP C C 18 175.946 175.946 175.899 0.047 19425 8658 1 11 . 1 1 18 18 ASP CA C 18 56.214 56.214 54.630 1.584 19425 8659 1 11 . 1 1 18 18 ASP CB C 18 40.985 40.985 41.617 -0.632 19425 8660 1 11 . 1 1 18 18 ASP H H 18 8.035 8.035 7.643 0.392 19425 8661 1 11 . 1 1 19 19 GLU N N 19 122.006 122.006 124.388 -2.382 19425 8662 1 11 . 1 1 19 19 GLU C C 19 175.055 175.055 176.033 -0.978 19425 8663 1 11 . 1 1 19 19 GLU CA C 19 55.262 55.262 56.595 -1.333 19425 8664 1 11 . 1 1 19 19 GLU CB C 19 30.712 30.712 30.333 0.379 19425 8665 1 11 . 1 1 19 19 GLU H H 19 8.274 8.274 8.693 -0.419 19425 8666 1 11 . 1 1 20 20 VAL N N 20 118.214 118.214 121.594 -3.380 19425 8667 1 11 . 1 1 20 20 VAL C C 20 176.855 176.855 173.721 3.134 19425 8668 1 11 . 1 1 20 20 VAL CA C 20 59.054 59.054 58.748 0.306 19425 8669 1 11 . 1 1 20 20 VAL CB C 20 36.780 36.780 36.298 0.482 19425 8670 1 11 . 1 1 20 20 VAL H H 20 9.779 9.779 9.202 0.577 19425 8671 1 11 . 1 1 21 21 VAL N N 21 115.443 115.443 115.320 0.123 19425 8672 1 11 . 1 1 21 21 VAL C C 21 173.830 173.830 174.158 -0.328 19425 8673 1 11 . 1 1 21 21 VAL CA C 21 60.308 60.308 59.880 0.428 19425 8674 1 11 . 1 1 21 21 VAL CB C 21 34.625 34.625 35.122 -0.497 19425 8675 1 11 . 1 1 21 21 VAL H H 21 8.167 8.167 8.455 -0.288 19425 8676 1 11 . 1 1 22 22 LEU N N 22 128.072 128.072 127.661 0.411 19425 8677 1 11 . 1 1 22 22 LEU C C 22 174.858 174.858 176.058 -1.200 19425 8678 1 11 . 1 1 22 22 LEU CA C 22 55.656 55.656 54.247 1.409 19425 8679 1 11 . 1 1 22 22 LEU CB C 22 42.545 42.545 42.252 0.293 19425 8680 1 11 . 1 1 22 22 LEU H H 22 10.103 10.103 8.879 1.224 19425 8681 1 11 . 1 1 23 23 GLN N N 23 120.609 120.609 123.240 -2.631 19425 8682 1 11 . 1 1 23 23 GLN C C 23 175.500 175.500 175.082 0.418 19425 8683 1 11 . 1 1 23 23 GLN CA C 23 53.710 53.710 54.145 -0.435 19425 8684 1 11 . 1 1 23 23 GLN CB C 23 33.697 33.697 33.543 0.154 19425 8685 1 11 . 1 1 23 23 GLN H H 23 9.119 9.119 8.763 0.356 19425 8686 1 11 . 1 1 24 24 CYS N N 24 118.659 118.659 118.740 -0.081 19425 8687 1 11 . 1 1 24 24 CYS C C 24 174.443 174.443 173.941 0.502 19425 8688 1 11 . 1 1 24 24 CYS CA C 24 55.261 55.261 55.901 -0.640 19425 8689 1 11 . 1 1 24 24 CYS CB C 24 30.302 30.302 30.706 -0.404 19425 8690 1 11 . 1 1 24 24 CYS H H 24 8.993 8.993 9.168 -0.175 19425 8691 1 11 . 1 1 25 25 THR N N 25 116.266 116.266 119.991 -3.725 19425 8692 1 11 . 1 1 25 25 THR C C 25 172.457 172.457 173.666 -1.209 19425 8693 1 11 . 1 1 25 25 THR CA C 25 61.858 61.858 62.886 -1.028 19425 8694 1 11 . 1 1 25 25 THR CB C 25 70.271 70.271 69.183 1.088 19425 8695 1 11 . 1 1 25 25 THR H H 25 8.480 8.480 8.625 -0.145 19425 8696 1 11 . 1 1 26 26 ALA N N 26 129.739 129.739 131.553 -1.814 19425 8697 1 11 . 1 1 26 26 ALA C C 26 172.717 172.717 175.148 -2.431 19425 8698 1 11 . 1 1 26 26 ALA CA C 26 50.642 50.642 50.180 0.462 19425 8699 1 11 . 1 1 26 26 ALA CB C 26 21.315 21.315 19.949 1.366 19425 8700 1 11 . 1 1 26 26 ALA H H 26 8.590 8.590 8.587 0.003 19425 8701 1 11 . 1 1 27 27 THR N N 27 116.574 116.574 118.436 -1.862 19425 8702 1 11 . 1 1 27 27 THR C C 27 173.181 173.181 173.970 -0.789 19425 8703 1 11 . 1 1 27 27 THR CA C 27 61.919 61.919 61.498 0.421 19425 8704 1 11 . 1 1 27 27 THR CB C 27 69.696 69.696 71.124 -1.427 19425 8705 1 11 . 1 1 27 27 THR H H 27 8.110 8.110 8.239 -0.129 19425 8706 1 11 . 1 1 28 28 ILE N N 28 126.342 126.342 124.827 1.515 19425 8707 1 11 . 1 1 28 28 ILE C C 28 173.793 173.793 174.465 -0.672 19425 8708 1 11 . 1 1 28 28 ILE CA C 28 60.407 60.407 61.431 -1.024 19425 8709 1 11 . 1 1 28 28 ILE CB C 28 39.536 39.536 40.126 -0.590 19425 8710 1 11 . 1 1 28 28 ILE H H 28 8.483 8.483 8.622 -0.139 19425 8711 1 11 . 1 1 29 29 HIS N N 29 126.364 126.364 124.555 1.809 19425 8712 1 11 . 1 1 29 29 HIS C C 29 175.259 175.259 174.186 1.073 19425 8713 1 11 . 1 1 29 29 HIS CA C 29 57.174 57.174 57.066 0.108 19425 8714 1 11 . 1 1 29 29 HIS CB C 29 28.029 28.029 28.290 -0.261 19425 8715 1 11 . 1 1 29 29 HIS H H 29 9.110 9.110 8.422 0.688 19425 8716 1 11 . 1 1 31 31 GLU N N 31 120.962 120.962 119.236 1.726 19425 8717 1 11 . 1 1 31 31 GLU C C 31 175.575 175.575 174.393 1.182 19425 8718 1 11 . 1 1 31 31 GLU CA C 31 55.394 55.394 55.481 -0.087 19425 8719 1 11 . 1 1 31 31 GLU CB C 31 31.576 31.576 32.174 -0.598 19425 8720 1 11 . 1 1 31 31 GLU H H 31 8.047 8.047 7.755 0.292 19425 8721 1 11 . 1 1 32 32 GLN N N 32 123.171 123.171 126.577 -3.406 19425 8722 1 11 . 1 1 32 32 GLN C C 32 175.185 175.185 174.750 0.435 19425 8723 1 11 . 1 1 32 32 GLN CA C 32 54.496 54.496 54.655 -0.159 19425 8724 1 11 . 1 1 32 32 GLN CB C 32 30.054 30.054 31.553 -1.499 19425 8725 1 11 . 1 1 32 32 GLN H H 32 8.646 8.646 8.763 -0.117 19425 8726 1 11 . 1 1 33 33 GLN N N 33 123.530 123.530 120.233 3.297 19425 8727 1 11 . 1 1 33 33 GLN C C 33 175.667 175.667 173.533 2.134 19425 8728 1 11 . 1 1 33 33 GLN CA C 33 54.616 54.616 54.679 -0.063 19425 8729 1 11 . 1 1 33 33 GLN CB C 33 31.748 31.748 32.789 -1.041 19425 8730 1 11 . 1 1 33 33 GLN H H 33 8.839 8.839 8.792 0.047 19425 8731 1 11 . 1 1 34 34 LYS N N 34 124.601 124.601 120.376 4.225 19425 8732 1 11 . 1 1 34 34 LYS C C 34 173.812 173.812 174.892 -1.080 19425 8733 1 11 . 1 1 34 34 LYS CA C 34 55.755 55.755 55.250 0.505 19425 8734 1 11 . 1 1 34 34 LYS CB C 34 32.712 32.712 35.971 -3.259 19425 8735 1 11 . 1 1 34 34 LYS H H 34 8.589 8.589 8.192 0.397 19425 8736 1 11 . 1 1 35 35 LEU N N 35 126.071 126.071 122.957 3.114 19425 8737 1 11 . 1 1 35 35 LEU C C 35 175.445 175.445 175.531 -0.086 19425 8738 1 11 . 1 1 35 35 LEU CA C 35 53.347 53.347 52.957 0.390 19425 8739 1 11 . 1 1 35 35 LEU CB C 35 44.943 44.943 46.031 -1.088 19425 8740 1 11 . 1 1 35 35 LEU H H 35 8.794 8.794 8.408 0.386 19425 8741 1 11 . 1 1 36 36 CYS N N 36 118.373 118.373 121.664 -3.291 19425 8742 1 11 . 1 1 36 36 CYS C C 36 176.057 176.057 174.579 1.478 19425 8743 1 11 . 1 1 36 36 CYS CA C 36 57.174 57.174 56.650 0.524 19425 8744 1 11 . 1 1 36 36 CYS CB C 36 30.306 30.306 29.634 0.672 19425 8745 1 11 . 1 1 36 36 CYS H H 36 9.042 9.042 8.608 0.434 19425 8746 1 11 . 1 1 37 37 LEU N N 37 129.256 129.256 129.366 -0.110 19425 8747 1 11 . 1 1 37 37 LEU C C 37 174.090 174.090 174.957 -0.867 19425 8748 1 11 . 1 1 37 37 LEU CA C 37 56.349 56.349 55.558 0.791 19425 8749 1 11 . 1 1 37 37 LEU CB C 37 42.689 42.689 42.416 0.273 19425 8750 1 11 . 1 1 37 37 LEU H H 37 8.811 8.811 8.900 -0.089 19425 8751 1 11 . 1 1 38 38 ALA N N 38 127.229 127.229 128.349 -1.120 19425 8752 1 11 . 1 1 38 38 ALA C C 38 174.517 174.517 175.155 -0.638 19425 8753 1 11 . 1 1 38 38 ALA CA C 38 50.609 50.609 49.423 1.185 19425 8754 1 11 . 1 1 38 38 ALA CB C 38 24.141 24.141 22.385 1.756 19425 8755 1 11 . 1 1 38 38 ALA H H 38 8.879 8.879 8.683 0.196 19425 8756 1 11 . 1 1 39 39 ALA N N 39 117.076 117.076 120.148 -3.072 19425 8757 1 11 . 1 1 39 39 ALA C C 39 174.665 174.665 174.712 -0.047 19425 8758 1 11 . 1 1 39 39 ALA CA C 39 51.500 51.500 51.719 -0.220 19425 8759 1 11 . 1 1 39 39 ALA CB C 39 20.996 20.996 21.558 -0.562 19425 8760 1 11 . 1 1 39 39 ALA H H 39 6.837 6.837 7.720 -0.883 19425 8761 1 11 . 1 1 40 40 GLU N N 40 119.966 119.966 117.990 1.976 19425 8762 1 11 . 1 1 40 40 GLU C C 40 176.205 176.205 176.073 0.132 19425 8763 1 11 . 1 1 40 40 GLU CA C 40 55.950 55.950 54.593 1.357 19425 8764 1 11 . 1 1 40 40 GLU CB C 40 31.836 31.836 32.672 -0.836 19425 8765 1 11 . 1 1 40 40 GLU H H 40 8.413 8.413 8.749 -0.336 19425 8766 1 11 . 1 1 41 41 GLY N N 41 108.646 108.646 107.575 1.071 19425 8767 1 11 . 1 1 41 41 GLY C C 41 176.892 176.892 173.384 3.508 19425 8768 1 11 . 1 1 41 41 GLY CA C 41 45.628 45.628 45.000 0.628 19425 8769 1 11 . 1 1 41 41 GLY H H 41 8.463 8.463 8.949 -0.486 19425 8770 1 11 . 1 1 43 43 GLY N N 43 109.557 109.557 112.612 -3.055 19425 8771 1 11 . 1 1 43 43 GLY C C 43 176.465 176.465 174.078 2.387 19425 8772 1 11 . 1 1 43 43 GLY CA C 43 45.397 45.397 45.379 0.018 19425 8773 1 11 . 1 1 43 43 GLY H H 43 8.510 8.510 7.644 0.866 19425 8774 1 11 . 1 1 44 44 ASN N N 44 116.850 116.850 122.493 -5.643 19425 8775 1 11 . 1 1 44 44 ASN C C 44 173.830 173.830 175.372 -1.542 19425 8776 1 11 . 1 1 44 44 ASN CA C 44 54.184 54.184 52.630 1.554 19425 8777 1 11 . 1 1 44 44 ASN CB C 44 38.252 38.252 38.324 -0.072 19425 8778 1 11 . 1 1 44 44 ASN H H 44 8.028 8.028 8.649 -0.621 19425 8779 1 11 . 1 1 45 45 ARG N N 45 118.226 118.226 115.902 2.324 19425 8780 1 11 . 1 1 45 45 ARG C C 45 174.072 174.072 174.228 -0.156 19425 8781 1 11 . 1 1 45 45 ARG CA C 45 56.077 56.077 57.268 -1.191 19425 8782 1 11 . 1 1 45 45 ARG CB C 45 31.231 31.231 27.480 3.751 19425 8783 1 11 . 1 1 45 45 ARG H H 45 7.759 7.759 7.527 0.232 19425 8784 1 11 . 1 1 46 46 LEU N N 46 124.643 124.643 118.216 6.427 19425 8785 1 11 . 1 1 46 46 LEU C C 46 176.447 176.447 177.226 -0.779 19425 8786 1 11 . 1 1 46 46 LEU CA C 46 54.667 54.667 54.460 0.207 19425 8787 1 11 . 1 1 46 46 LEU CB C 46 42.605 42.605 42.880 -0.275 19425 8788 1 11 . 1 1 46 46 LEU H H 46 8.695 8.695 7.680 1.015 19425 8789 1 11 . 1 1 47 47 CYS N N 47 119.241 119.241 120.125 -0.884 19425 8790 1 11 . 1 1 47 47 CYS C C 47 176.651 176.651 175.012 1.639 19425 8791 1 11 . 1 1 47 47 CYS CA C 47 55.885 55.885 59.866 -3.981 19425 8792 1 11 . 1 1 47 47 CYS CB C 47 31.112 31.112 27.485 3.627 19425 8793 1 11 . 1 1 47 47 CYS H H 47 9.007 9.007 8.522 0.485 19425 8794 1 11 . 1 1 48 48 PHE N N 48 114.081 114.081 118.304 -4.223 19425 8795 1 11 . 1 1 48 48 PHE C C 48 170.342 170.342 172.967 -2.625 19425 8796 1 11 . 1 1 48 48 PHE CA C 48 57.405 57.405 55.810 1.595 19425 8797 1 11 . 1 1 48 48 PHE CB C 48 43.263 43.263 40.076 3.187 19425 8798 1 11 . 1 1 48 48 PHE H H 48 8.647 8.647 8.510 0.137 19425 8799 1 11 . 1 1 49 49 LEU N N 49 122.287 122.287 119.388 2.899 19425 8800 1 11 . 1 1 49 49 LEU C C 49 176.236 176.236 176.380 -0.144 19425 8801 1 11 . 1 1 49 49 LEU CA C 49 53.285 53.285 53.759 -0.474 19425 8802 1 11 . 1 1 49 49 LEU CB C 49 42.907 42.907 45.745 -2.838 19425 8803 1 11 . 1 1 49 49 LEU H H 49 9.108 9.108 8.876 0.232 19425 8804 1 11 . 1 1 50 50 GLU N N 50 123.206 123.206 122.826 0.380 19425 8805 1 11 . 1 1 50 50 GLU C C 50 177.671 177.671 175.666 2.005 19425 8806 1 11 . 1 1 50 50 GLU CA C 50 57.084 57.084 54.927 2.157 19425 8807 1 11 . 1 1 50 50 GLU CB C 50 30.123 30.123 32.191 -2.068 19425 8808 1 11 . 1 1 50 50 GLU H H 50 8.834 8.834 8.622 0.212 19425 8809 1 11 . 1 1 51 51 SER N N 51 118.500 118.500 121.120 -2.620 19425 8810 1 11 . 1 1 51 51 SER C C 51 176.706 176.706 175.092 1.614 19425 8811 1 11 . 1 1 51 51 SER CA C 51 58.560 58.560 59.008 -0.448 19425 8812 1 11 . 1 1 51 51 SER CB C 51 63.979 63.979 63.867 0.112 19425 8813 1 11 . 1 1 51 51 SER H H 51 8.461 8.461 8.861 -0.400 19425 8814 1 11 . 1 1 52 52 THR N N 52 116.205 116.205 117.431 -1.226 19425 8815 1 11 . 1 1 52 52 THR C C 52 174.808 174.808 175.335 -0.527 19425 8816 1 11 . 1 1 52 52 THR CA C 52 61.891 61.891 60.637 1.254 19425 8817 1 11 . 1 1 52 52 THR CB C 52 70.076 70.076 70.662 -0.586 19425 8818 1 11 . 1 1 52 52 THR H H 52 8.199 8.199 8.396 -0.197 19425 8819 1 11 . 1 1 65 65 CYS N N 65 117.553 117.553 120.264 -2.711 19425 8820 1 11 . 1 1 65 65 CYS C C 65 176.948 176.948 174.383 2.565 19425 8821 1 11 . 1 1 65 65 CYS CA C 65 57.900 57.900 56.224 1.676 19425 8822 1 11 . 1 1 65 65 CYS CB C 65 30.290 30.290 27.108 3.182 19425 8823 1 11 . 1 1 65 65 CYS H H 65 7.539 7.539 7.669 -0.130 19425 8824 1 11 . 1 1 66 66 THR N N 66 113.614 113.614 119.170 -5.556 19425 8825 1 11 . 1 1 66 66 THR C C 66 180.325 180.325 173.362 6.963 19425 8826 1 11 . 1 1 66 66 THR CA C 66 63.399 63.399 63.446 -0.047 19425 8827 1 11 . 1 1 66 66 THR CB C 66 69.281 69.281 69.243 0.038 19425 8828 1 11 . 1 1 66 66 THR H H 66 6.851 6.851 7.218 -0.367 19425 8829 1 11 . 1 1 67 67 PHE N N 67 126.248 126.248 125.117 1.131 19425 8830 1 11 . 1 1 67 67 PHE C C 67 174.424 174.424 173.965 0.459 19425 8831 1 11 . 1 1 67 67 PHE CA C 67 56.184 56.184 56.713 -0.529 19425 8832 1 11 . 1 1 67 67 PHE CB C 67 43.291 43.291 44.150 -0.859 19425 8833 1 11 . 1 1 67 67 PHE H H 67 9.603 9.603 9.341 0.262 19425 8834 1 11 . 1 1 68 68 VAL N N 68 121.310 121.310 119.177 2.133 19425 8835 1 11 . 1 1 68 68 VAL C C 68 173.719 173.719 175.580 -1.861 19425 8836 1 11 . 1 1 68 68 VAL CA C 68 60.935 60.935 60.703 0.232 19425 8837 1 11 . 1 1 68 68 VAL CB C 68 34.522 34.522 34.025 0.497 19425 8838 1 11 . 1 1 68 68 VAL H H 68 9.968 9.968 8.687 1.281 19425 8839 1 11 . 1 1 69 69 LEU N N 69 127.011 127.011 128.842 -1.831 19425 8840 1 11 . 1 1 69 69 LEU C C 69 177.152 177.152 178.059 -0.907 19425 8841 1 11 . 1 1 69 69 LEU CA C 69 53.083 53.083 54.498 -1.415 19425 8842 1 11 . 1 1 69 69 LEU CB C 69 39.652 39.652 39.365 0.287 19425 8843 1 11 . 1 1 69 69 LEU H H 69 8.135 8.135 8.598 -0.463 19425 8844 1 11 . 1 1 70 70 GLU N N 70 129.683 129.683 121.665 8.018 19425 8845 1 11 . 1 1 70 70 GLU C C 70 174.869 174.869 176.792 -1.923 19425 8846 1 11 . 1 1 70 70 GLU CA C 70 59.747 59.747 59.066 0.681 19425 8847 1 11 . 1 1 70 70 GLU CB C 70 31.291 31.291 29.881 1.410 19425 8848 1 11 . 1 1 70 70 GLU H H 70 8.654 8.654 8.365 0.289 19425 8849 1 11 . 1 1 71 71 GLN N N 71 110.287 110.287 116.964 -6.677 19425 8850 1 11 . 1 1 71 71 GLN C C 71 176.094 176.094 175.074 1.020 19425 8851 1 11 . 1 1 71 71 GLN CA C 71 54.030 54.030 54.533 -0.503 19425 8852 1 11 . 1 1 71 71 GLN CB C 71 33.112 33.112 32.549 0.563 19425 8853 1 11 . 1 1 71 71 GLN H H 71 7.318 7.318 7.638 -0.320 19425 8854 1 11 . 1 1 72 72 SER N N 72 116.205 116.205 117.637 -1.432 19425 8855 1 11 . 1 1 72 72 SER C C 72 174.035 174.035 173.347 0.688 19425 8856 1 11 . 1 1 72 72 SER CA C 72 58.132 58.132 58.530 -0.398 19425 8857 1 11 . 1 1 72 72 SER CB C 72 64.295 64.295 63.181 1.114 19425 8858 1 11 . 1 1 72 72 SER H H 72 8.380 8.380 8.787 -0.407 19425 8859 1 11 . 1 1 73 73 LEU N N 73 127.858 127.858 125.248 2.610 19425 8860 1 11 . 1 1 73 73 LEU C C 73 173.701 173.701 175.588 -1.887 19425 8861 1 11 . 1 1 73 73 LEU CA C 73 53.347 53.347 53.471 -0.124 19425 8862 1 11 . 1 1 73 73 LEU CB C 73 45.926 45.926 44.902 1.024 19425 8863 1 11 . 1 1 73 73 LEU H H 73 9.532 9.532 8.896 0.636 19425 8864 1 11 . 1 1 74 74 SER N N 74 115.724 115.724 114.470 1.254 19425 8865 1 11 . 1 1 74 74 SER C C 74 177.541 177.541 176.054 1.487 19425 8866 1 11 . 1 1 74 74 SER CA C 74 57.905 57.905 57.844 0.060 19425 8867 1 11 . 1 1 74 74 SER CB C 74 63.901 63.901 63.468 0.434 19425 8868 1 11 . 1 1 74 74 SER H H 74 8.240 8.240 8.187 0.053 19425 8869 1 11 . 1 1 75 75 VAL N N 75 122.994 122.994 127.627 -4.633 19425 8870 1 11 . 1 1 75 75 VAL C C 75 174.610 174.610 177.309 -2.699 19425 8871 1 11 . 1 1 75 75 VAL CA C 75 67.104 67.104 66.923 0.181 19425 8872 1 11 . 1 1 75 75 VAL CB C 75 30.953 30.953 31.479 -0.526 19425 8873 1 11 . 1 1 75 75 VAL H H 75 9.056 9.056 8.838 0.218 19425 8874 1 11 . 1 1 76 76 ARG N N 76 119.193 119.193 120.440 -1.247 19425 8875 1 11 . 1 1 76 76 ARG C C 76 178.228 178.228 178.157 0.071 19425 8876 1 11 . 1 1 76 76 ARG CA C 76 59.087 59.087 59.901 -0.814 19425 8877 1 11 . 1 1 76 76 ARG CB C 76 29.280 29.280 29.677 -0.397 19425 8878 1 11 . 1 1 76 76 ARG H H 76 8.137 8.137 7.720 0.417 19425 8879 1 11 . 1 1 77 77 ALA N N 77 122.977 122.977 120.306 2.671 19425 8880 1 11 . 1 1 77 77 ALA C C 77 178.506 178.506 179.709 -1.203 19425 8881 1 11 . 1 1 77 77 ALA CA C 77 54.926 54.926 54.764 0.162 19425 8882 1 11 . 1 1 77 77 ALA CB C 77 18.231 18.231 18.197 0.035 19425 8883 1 11 . 1 1 77 77 ALA H H 77 7.699 7.699 8.052 -0.353 19425 8884 1 11 . 1 1 78 78 LEU N N 78 121.115 121.115 120.121 0.994 19425 8885 1 11 . 1 1 78 78 LEU C C 78 180.640 180.640 178.413 2.227 19425 8886 1 11 . 1 1 78 78 LEU CA C 78 57.985 57.985 57.357 0.628 19425 8887 1 11 . 1 1 78 78 LEU CB C 78 40.522 40.522 41.260 -0.738 19425 8888 1 11 . 1 1 78 78 LEU H H 78 8.303 8.303 8.226 0.077 19425 8889 1 11 . 1 1 79 79 GLN N N 79 116.873 116.873 117.356 -0.483 19425 8890 1 11 . 1 1 79 79 GLN C C 79 177.875 177.875 178.366 -0.491 19425 8891 1 11 . 1 1 79 79 GLN CA C 79 59.069 59.069 59.156 -0.086 19425 8892 1 11 . 1 1 79 79 GLN CB C 79 27.254 27.254 28.365 -1.111 19425 8893 1 11 . 1 1 79 79 GLN H H 79 8.390 8.390 8.266 0.124 19425 8894 1 11 . 1 1 80 80 GLU N N 80 120.455 120.455 120.912 -0.457 19425 8895 1 11 . 1 1 80 80 GLU C C 80 179.749 179.749 178.859 0.890 19425 8896 1 11 . 1 1 80 80 GLU CA C 80 59.413 59.413 59.276 0.137 19425 8897 1 11 . 1 1 80 80 GLU CB C 80 29.142 29.142 29.468 -0.326 19425 8898 1 11 . 1 1 80 80 GLU H H 80 7.942 7.942 7.894 0.048 19425 8899 1 11 . 1 1 81 81 MET N N 81 120.541 120.541 118.385 2.156 19425 8900 1 11 . 1 1 81 81 MET C C 81 178.599 178.599 178.916 -0.317 19425 8901 1 11 . 1 1 81 81 MET CA C 81 59.665 59.665 59.352 0.312 19425 8902 1 11 . 1 1 81 81 MET CB C 81 32.534 32.534 32.851 -0.317 19425 8903 1 11 . 1 1 81 81 MET H H 81 7.870 7.870 8.061 -0.191 19425 8904 1 11 . 1 1 82 82 LEU N N 82 119.662 119.662 118.286 1.376 19425 8905 1 11 . 1 1 82 82 LEU C C 82 179.638 179.638 178.387 1.251 19425 8906 1 11 . 1 1 82 82 LEU CA C 82 57.669 57.669 56.873 0.796 19425 8907 1 11 . 1 1 82 82 LEU CB C 82 40.783 40.783 41.798 -1.015 19425 8908 1 11 . 1 1 82 82 LEU H H 82 8.488 8.488 7.838 0.650 19425 8909 1 11 . 1 1 83 83 ALA N N 83 120.827 120.827 120.161 0.666 19425 8910 1 11 . 1 1 83 83 ALA C C 83 179.323 179.323 179.654 -0.331 19425 8911 1 11 . 1 1 83 83 ALA CA C 83 54.073 54.073 54.404 -0.331 19425 8912 1 11 . 1 1 83 83 ALA CB C 83 18.326 18.326 18.836 -0.510 19425 8913 1 11 . 1 1 83 83 ALA H H 83 7.704 7.704 7.929 -0.225 19425 8914 1 11 . 1 1 84 84 ASN N N 84 115.853 115.853 115.735 0.118 19425 8915 1 11 . 1 1 84 84 ASN C C 84 178.944 178.944 176.503 2.441 19425 8916 1 11 . 1 1 84 84 ASN CA C 84 54.167 54.167 55.475 -1.308 19425 8917 1 11 . 1 1 84 84 ASN CB C 84 39.465 39.465 39.002 0.463 19425 8918 1 11 . 1 1 84 84 ASN H H 84 7.729 7.729 8.040 -0.311 19425 8919 1 11 . 1 1 85 85 THR N N 85 112.611 112.611 110.227 2.384 19425 8920 1 11 . 1 1 85 85 THR C C 85 175.569 175.569 175.443 0.126 19425 8921 1 11 . 1 1 85 85 THR CA C 85 63.086 63.086 63.147 -0.061 19425 8922 1 11 . 1 1 85 85 THR CB C 85 70.071 70.071 68.743 1.328 19425 8923 1 11 . 1 1 85 85 THR H H 85 7.698 7.698 7.348 0.350 19425 8924 1 11 . 1 1 86 86 VAL N N 86 121.812 121.812 120.023 1.789 19425 8925 1 11 . 1 1 86 86 VAL C C 86 174.573 174.573 176.461 -1.888 19425 8926 1 11 . 1 1 86 86 VAL CA C 86 62.811 62.811 64.599 -1.788 19425 8927 1 11 . 1 1 86 86 VAL CB C 86 32.730 32.730 31.911 0.819 19425 8928 1 11 . 1 1 86 86 VAL H H 86 7.874 7.874 7.556 0.318 19425 8929 1 11 . 1 1 87 87 GLU N N 87 124.330 124.330 119.201 5.129 19425 8930 1 11 . 1 1 87 87 GLU C C 87 176.280 176.280 176.174 0.106 19425 8931 1 11 . 1 1 87 87 GLU CA C 87 56.877 56.877 57.036 -0.159 19425 8932 1 11 . 1 1 87 87 GLU CB C 87 29.852 29.852 31.391 -1.539 19425 8933 1 11 . 1 1 87 87 GLU H H 87 8.403 8.403 8.025 0.378 19425 8934 1 11 . 1 1 88 88 LYS N N 88 122.065 122.065 117.013 5.052 19425 8935 1 11 . 1 1 88 88 LYS C C 88 176.966 176.966 174.486 2.480 19425 8936 1 11 . 1 1 88 88 LYS CA C 88 56.799 56.799 56.283 0.516 19425 8937 1 11 . 1 1 88 88 LYS CB C 88 32.597 32.597 34.215 -1.618 19425 8938 1 11 . 1 1 88 88 LYS H H 88 8.330 8.330 7.893 0.437 19425 8939 1 11 . 1 1 89 89 SER N N 89 116.192 116.192 116.850 -0.658 19425 8940 1 11 . 1 1 89 89 SER C C 89 176.865 176.865 173.575 3.290 19425 8941 1 11 . 1 1 89 89 SER CA C 89 59.008 59.008 58.086 0.922 19425 8942 1 11 . 1 1 89 89 SER CB C 89 63.765 63.765 64.528 -0.763 19425 8943 1 11 . 1 1 89 89 SER H H 89 8.247 8.247 8.429 -0.182 19425 8944 1 11 . 1 1 90 90 GLU N N 90 122.006 122.006 121.142 0.864 19425 8945 1 11 . 1 1 90 90 GLU C C 90 174.702 174.702 175.354 -0.652 19425 8946 1 11 . 1 1 90 90 GLU CA C 90 57.231 57.231 56.452 0.779 19425 8947 1 11 . 1 1 90 90 GLU CB C 90 29.442 29.442 29.480 -0.038 19425 8948 1 11 . 1 1 90 90 GLU H H 90 8.560 8.560 8.434 0.126 19425 8949 1 11 . 1 1 91 91 GLY N N 91 110.052 110.052 110.783 -0.731 19425 8950 1 11 . 1 1 91 91 GLY C C 91 177.170 177.170 174.853 2.317 19425 8951 1 11 . 1 1 91 91 GLY CA C 91 45.634 45.634 44.918 0.716 19425 8952 1 11 . 1 1 91 91 GLY H H 91 8.358 8.358 8.305 0.053 19425 8953 1 11 . 1 1 92 92 GLN N N 92 120.053 120.053 118.114 1.939 19425 8954 1 11 . 1 1 92 92 GLN C C 92 173.905 173.905 177.219 -3.314 19425 8955 1 11 . 1 1 92 92 GLN CA C 92 55.261 55.261 56.510 -1.248 19425 8956 1 11 . 1 1 92 92 GLN CB C 92 29.573 29.573 28.863 0.709 19425 8957 1 11 . 1 1 92 92 GLN H H 92 8.075 8.075 8.561 -0.486 19425 8958 1 11 . 1 1 93 93 VAL N N 93 123.434 123.434 115.599 7.835 19425 8959 1 11 . 1 1 93 93 VAL C C 93 175.667 175.667 174.754 0.913 19425 8960 1 11 . 1 1 93 93 VAL CA C 93 62.914 62.914 60.944 1.970 19425 8961 1 11 . 1 1 93 93 VAL CB C 93 32.629 32.629 32.076 0.553 19425 8962 1 11 . 1 1 93 93 VAL H H 93 8.370 8.370 7.311 1.059 19425 8963 1 11 . 1 1 94 94 ASP N N 94 125.761 125.761 120.853 4.908 19425 8964 1 11 . 1 1 94 94 ASP C C 94 175.704 175.704 175.985 -0.281 19425 8965 1 11 . 1 1 94 94 ASP CA C 94 53.743 53.743 55.022 -1.279 19425 8966 1 11 . 1 1 94 94 ASP CB C 94 40.771 40.771 40.664 0.107 19425 8967 1 11 . 1 1 94 94 ASP H H 94 8.550 8.550 8.162 0.388 19425 8968 1 11 . 1 1 95 95 VAL N N 95 125.064 125.064 118.386 6.678 19425 8969 1 11 . 1 1 95 95 VAL C C 95 176.465 176.465 176.597 -0.132 19425 8970 1 11 . 1 1 95 95 VAL CA C 95 65.487 65.487 63.911 1.576 19425 8971 1 11 . 1 1 95 95 VAL CB C 95 31.773 31.773 31.272 0.501 19425 8972 1 11 . 1 1 95 95 VAL H H 95 8.300 8.300 7.737 0.563 19425 8973 1 11 . 1 1 96 96 GLU N N 96 120.880 120.880 122.715 -1.835 19425 8974 1 11 . 1 1 96 96 GLU C C 96 177.523 177.523 178.070 -0.547 19425 8975 1 11 . 1 1 96 96 GLU CA C 96 59.157 59.157 59.265 -0.108 19425 8976 1 11 . 1 1 96 96 GLU CB C 96 28.575 28.575 29.403 -0.828 19425 8977 1 11 . 1 1 96 96 GLU H H 96 8.297 8.297 8.771 -0.474 19425 8978 1 11 . 1 1 97 97 LYS N N 97 121.943 121.943 117.890 4.053 19425 8979 1 11 . 1 1 97 97 LYS C C 97 179.434 179.434 178.529 0.905 19425 8980 1 11 . 1 1 97 97 LYS CA C 97 59.186 59.186 58.474 0.712 19425 8981 1 11 . 1 1 97 97 LYS CB C 97 32.036 32.036 31.731 0.305 19425 8982 1 11 . 1 1 97 97 LYS H H 97 7.979 7.979 8.368 -0.389 19425 8983 1 11 . 1 1 98 98 TRP N N 98 121.420 121.420 121.489 -0.069 19425 8984 1 11 . 1 1 98 98 TRP C C 98 178.673 178.673 178.143 0.530 19425 8985 1 11 . 1 1 98 98 TRP CA C 98 60.176 60.176 60.406 -0.230 19425 8986 1 11 . 1 1 98 98 TRP CB C 98 29.340 29.340 28.928 0.412 19425 8987 1 11 . 1 1 98 98 TRP H H 98 8.202 8.202 8.111 0.091 19425 8988 1 11 . 1 1 99 99 LYS N N 99 118.236 118.236 117.925 0.311 19425 8989 1 11 . 1 1 99 99 LYS C C 99 177.374 177.374 178.953 -1.579 19425 8990 1 11 . 1 1 99 99 LYS CA C 99 59.812 59.812 59.436 0.376 19425 8991 1 11 . 1 1 99 99 LYS CB C 99 32.042 32.042 31.869 0.173 19425 8992 1 11 . 1 1 99 99 LYS H H 99 8.346 8.346 8.551 -0.205 19425 8993 1 11 . 1 1 100 100 PHE N N 100 120.365 120.365 120.978 -0.613 19425 8994 1 11 . 1 1 100 100 PHE C C 100 179.193 179.193 177.125 2.068 19425 8995 1 11 . 1 1 100 100 PHE CA C 100 60.902 60.902 61.598 -0.696 19425 8996 1 11 . 1 1 100 100 PHE CB C 100 38.875 38.875 39.340 -0.465 19425 8997 1 11 . 1 1 100 100 PHE H H 100 7.916 7.916 7.797 0.119 19425 8998 1 11 . 1 1 101 101 MET N N 101 121.837 121.837 121.082 0.755 19425 8999 1 11 . 1 1 101 101 MET C C 101 178.172 178.172 178.433 -0.261 19425 9000 1 11 . 1 1 101 101 MET CA C 101 58.625 58.625 59.249 -0.624 19425 9001 1 11 . 1 1 101 101 MET CB C 101 32.081 32.081 33.039 -0.958 19425 9002 1 11 . 1 1 101 101 MET H H 101 8.393 8.393 8.284 0.109 19425 9003 1 11 . 1 1 102 102 MET N N 102 119.901 119.901 117.111 2.790 19425 9004 1 11 . 1 1 102 102 MET C C 102 178.655 178.655 178.382 0.273 19425 9005 1 11 . 1 1 102 102 MET CA C 102 57.867 57.867 56.950 0.916 19425 9006 1 11 . 1 1 102 102 MET CB C 102 32.414 32.414 31.055 1.359 19425 9007 1 11 . 1 1 102 102 MET H H 102 8.174 8.174 8.701 -0.527 19425 9008 1 11 . 1 1 103 103 LYS N N 103 120.555 120.555 121.091 -0.536 19425 9009 1 11 . 1 1 103 103 LYS C C 103 177.857 177.857 179.183 -1.326 19425 9010 1 11 . 1 1 103 103 LYS CA C 103 58.592 58.592 59.679 -1.087 19425 9011 1 11 . 1 1 103 103 LYS CB C 103 31.816 31.816 32.263 -0.447 19425 9012 1 11 . 1 1 103 103 LYS H H 103 7.899 7.899 7.991 -0.092 19425 9013 1 11 . 1 1 104 104 THR N N 104 115.450 115.450 116.346 -0.896 19425 9014 1 11 . 1 1 104 104 THR C C 104 179.267 179.267 176.155 3.112 19425 9015 1 11 . 1 1 104 104 THR CA C 104 64.914 64.914 66.639 -1.725 19425 9016 1 11 . 1 1 104 104 THR CB C 104 69.103 69.103 68.906 0.197 19425 9017 1 11 . 1 1 104 104 THR H H 104 7.895 7.895 8.035 -0.140 19425 9018 1 11 . 1 1 105 105 ALA N N 105 124.862 124.862 124.185 0.677 19425 9019 1 11 . 1 1 105 105 ALA C C 105 176.057 176.057 179.267 -3.210 19425 9020 1 11 . 1 1 105 105 ALA CA C 105 54.106 54.106 54.695 -0.589 19425 9021 1 11 . 1 1 105 105 ALA CB C 105 18.493 18.493 18.446 0.047 19425 9022 1 11 . 1 1 105 105 ALA H H 105 7.896 7.896 7.864 0.032 19425 9023 1 11 . 1 1 106 106 GLN N N 106 117.285 117.285 115.824 1.461 19425 9024 1 11 . 1 1 106 106 GLN C C 106 178.655 178.655 178.499 0.156 19425 9025 1 11 . 1 1 106 106 GLN CA C 106 56.913 56.913 57.157 -0.244 19425 9026 1 11 . 1 1 106 106 GLN CB C 106 29.148 29.148 29.197 -0.049 19425 9027 1 11 . 1 1 106 106 GLN H H 106 7.944 7.944 8.140 -0.196 19425 9028 1 11 . 1 1 107 107 GLY N N 107 107.494 107.494 107.124 0.370 19425 9029 1 11 . 1 1 107 107 GLY C C 107 177.597 177.597 174.510 3.087 19425 9030 1 11 . 1 1 107 107 GLY CA C 107 45.975 45.975 45.878 0.097 19425 9031 1 11 . 1 1 107 107 GLY H H 107 7.852 7.852 7.929 -0.077 19425 9032 1 11 . 1 1 108 108 GLY N N 108 109.642 109.642 107.265 2.377 19425 9033 1 11 . 1 1 108 108 GLY C C 108 174.740 174.740 172.915 1.825 19425 9034 1 11 . 1 1 108 108 GLY CA C 108 45.151 45.151 44.953 0.198 19425 9035 1 11 . 1 1 108 108 GLY H H 108 8.313 8.313 7.736 0.577 19425 9036 1 11 . 1 1 109 109 GLY N N 109 108.058 108.058 107.100 0.958 19425 9037 1 11 . 1 1 109 109 GLY C C 109 174.313 174.313 174.179 0.134 19425 9038 1 11 . 1 1 109 109 GLY CA C 109 44.659 44.659 45.197 -0.538 19425 9039 1 11 . 1 1 109 109 GLY H H 109 8.059 8.059 8.311 -0.252 19425 9040 1 11 . 1 1 110 110 HIS N N 110 118.432 118.432 119.804 -1.372 19425 9041 1 11 . 1 1 110 110 HIS C C 110 173.348 173.348 175.106 -1.758 19425 9042 1 11 . 1 1 110 110 HIS CA C 110 55.590 55.590 58.170 -2.580 19425 9043 1 11 . 1 1 110 110 HIS CB C 110 28.502 28.502 31.361 -2.859 19425 9044 1 11 . 1 1 110 110 HIS H H 110 8.261 8.261 8.485 -0.224 19425 9045 1 11 . 1 1 111 111 ARG N N 111 122.052 122.052 115.646 6.406 19425 9046 1 11 . 1 1 111 111 ARG C C 111 174.908 174.908 173.922 0.986 19425 9047 1 11 . 1 1 111 111 ARG CA C 111 55.233 55.233 55.105 0.128 19425 9048 1 11 . 1 1 111 111 ARG CB C 111 31.125 31.125 32.357 -1.232 19425 9049 1 11 . 1 1 111 111 ARG H H 111 8.597 8.597 7.966 0.631 19425 9050 1 11 . 1 1 112 112 THR N N 112 120.248 120.248 117.878 2.370 19425 9051 1 11 . 1 1 112 112 THR C C 112 176.447 176.447 174.654 1.793 19425 9052 1 11 . 1 1 112 112 THR CA C 112 63.723 63.723 63.423 0.300 19425 9053 1 11 . 1 1 112 112 THR CB C 112 68.984 68.984 69.498 -0.514 19425 9054 1 11 . 1 1 112 112 THR H H 112 8.577 8.577 8.459 0.118 19425 9055 1 11 . 1 1 113 113 LEU N N 113 130.382 130.382 126.294 4.088 19425 9056 1 11 . 1 1 113 113 LEU C C 113 174.294 174.294 175.340 -1.046 19425 9057 1 11 . 1 1 113 113 LEU CA C 113 56.791 56.791 54.894 1.897 19425 9058 1 11 . 1 1 113 113 LEU CB C 113 41.705 41.705 42.676 -0.971 19425 9059 1 11 . 1 1 113 113 LEU H H 113 8.515 8.515 8.885 -0.370 19425 9060 1 11 . 1 1 114 114 LEU N N 114 118.829 118.829 122.485 -3.656 19425 9061 1 11 . 1 1 114 114 LEU C C 114 175.278 175.278 176.703 -1.425 19425 9062 1 11 . 1 1 114 114 LEU CA C 114 51.667 51.667 52.550 -0.883 19425 9063 1 11 . 1 1 114 114 LEU CB C 114 42.454 42.454 44.152 -1.698 19425 9064 1 11 . 1 1 114 114 LEU H H 114 6.454 6.454 8.073 -1.619 19425 9065 1 11 . 1 1 115 115 TYR N N 115 119.059 119.059 121.153 -2.094 19425 9066 1 11 . 1 1 115 115 TYR C C 115 177.152 177.152 177.450 -0.298 19425 9067 1 11 . 1 1 115 115 TYR CA C 115 62.452 62.452 60.688 1.764 19425 9068 1 11 . 1 1 115 115 TYR CB C 115 38.058 38.058 38.106 -0.048 19425 9069 1 11 . 1 1 115 115 TYR H H 115 8.797 8.797 8.703 0.094 19425 9070 1 11 . 1 1 116 116 GLY N N 116 115.795 115.795 113.095 2.700 19425 9071 1 11 . 1 1 116 116 GLY C C 116 178.061 178.061 173.930 4.131 19425 9072 1 11 . 1 1 116 116 GLY CA C 116 45.100 45.100 45.179 -0.079 19425 9073 1 11 . 1 1 116 116 GLY H H 116 9.672 9.672 9.166 0.506 19425 9074 1 11 . 1 1 117 117 HIS N N 117 122.193 122.193 121.549 0.644 19425 9075 1 11 . 1 1 117 117 HIS C C 117 175.463 175.463 173.847 1.616 19425 9076 1 11 . 1 1 117 117 HIS CA C 117 56.119 56.119 55.677 0.442 19425 9077 1 11 . 1 1 117 117 HIS CB C 117 32.293 32.293 30.331 1.962 19425 9078 1 11 . 1 1 117 117 HIS H H 117 8.113 8.113 7.776 0.337 19425 9079 1 11 . 1 1 118 118 ALA N N 118 120.893 120.893 126.842 -5.949 19425 9080 1 11 . 1 1 118 118 ALA C C 118 173.775 173.775 176.095 -2.320 19425 9081 1 11 . 1 1 118 118 ALA CA C 118 50.378 50.378 51.488 -1.110 19425 9082 1 11 . 1 1 118 118 ALA CB C 118 21.646 21.646 19.638 2.008 19425 9083 1 11 . 1 1 118 118 ALA H H 118 9.458 9.458 8.955 0.503 19425 9084 1 11 . 1 1 120 120 LEU N N 120 119.631 119.631 124.528 -4.897 19425 9085 1 11 . 1 1 120 120 LEU C C 120 173.367 173.367 174.749 -1.382 19425 9086 1 11 . 1 1 120 120 LEU CA C 120 56.217 56.217 52.672 3.545 19425 9087 1 11 . 1 1 120 120 LEU CB C 120 39.519 39.519 43.701 -4.182 19425 9088 1 11 . 1 1 120 120 LEU H H 120 8.746 8.746 8.118 0.628 19425 9089 1 11 . 1 1 121 121 LEU N N 121 118.900 118.900 126.882 -7.982 19425 9090 1 11 . 1 1 121 121 LEU C C 121 171.400 171.400 175.933 -4.533 19425 9091 1 11 . 1 1 121 121 LEU CA C 121 52.852 52.852 53.794 -0.942 19425 9092 1 11 . 1 1 121 121 LEU CB C 121 43.452 43.452 42.855 0.597 19425 9093 1 11 . 1 1 121 121 LEU H H 121 8.590 8.590 8.589 0.001 19425 9094 1 11 . 1 1 122 122 ARG N N 122 123.588 123.588 124.972 -1.384 19425 9095 1 11 . 1 1 122 122 ARG C C 122 176.465 176.465 175.495 0.970 19425 9096 1 11 . 1 1 122 122 ARG CA C 122 54.403 54.403 53.958 0.445 19425 9097 1 11 . 1 1 122 122 ARG CB C 122 32.897 32.897 31.639 1.258 19425 9098 1 11 . 1 1 122 122 ARG H H 122 9.077 9.077 8.837 0.240 19425 9099 1 11 . 1 1 123 123 HIS N N 123 131.440 131.440 127.757 3.683 19425 9100 1 11 . 1 1 123 123 HIS C C 123 175.704 175.704 175.592 0.112 19425 9101 1 11 . 1 1 123 123 HIS CA C 123 56.637 56.637 56.780 -0.143 19425 9102 1 11 . 1 1 123 123 HIS CB C 123 31.261 31.261 30.220 1.042 19425 9103 1 11 . 1 1 123 123 HIS H H 123 9.622 9.622 8.513 1.109 19425 9104 1 11 . 1 1 124 124 SER N N 124 127.024 127.024 125.014 2.010 19425 9105 1 11 . 1 1 124 124 SER C C 124 175.686 175.686 176.144 -0.458 19425 9106 1 11 . 1 1 124 124 SER CA C 124 62.010 62.010 61.875 0.135 19425 9107 1 11 . 1 1 124 124 SER CB C 124 62.912 62.912 62.794 0.118 19425 9108 1 11 . 1 1 124 124 SER H H 124 7.840 7.840 7.938 -0.098 19425 9109 1 11 . 1 1 125 125 TYR N N 125 119.708 119.708 120.700 -0.992 19425 9110 1 11 . 1 1 125 125 TYR C C 125 180.696 180.696 176.932 3.764 19425 9111 1 11 . 1 1 125 125 TYR CA C 125 60.903 60.903 60.584 0.320 19425 9112 1 11 . 1 1 125 125 TYR CB C 125 38.744 38.744 38.485 0.259 19425 9113 1 11 . 1 1 125 125 TYR H H 125 8.746 8.746 7.295 1.451 19425 9114 1 11 . 1 1 126 126 SER N N 126 110.333 110.333 113.053 -2.720 19425 9115 1 11 . 1 1 126 126 SER C C 126 176.543 176.543 176.105 0.438 19425 9116 1 11 . 1 1 126 126 SER CA C 126 59.366 59.366 59.264 0.102 19425 9117 1 11 . 1 1 126 126 SER CB C 126 65.282 65.282 64.680 0.602 19425 9118 1 11 . 1 1 126 126 SER H H 126 7.004 7.004 8.055 -1.051 19425 9119 1 11 . 1 1 127 127 GLY N N 127 113.322 113.322 110.671 2.651 19425 9120 1 11 . 1 1 127 127 GLY C C 127 176.428 176.428 173.988 2.440 19425 9121 1 11 . 1 1 127 127 GLY CA C 127 46.064 46.064 45.592 0.472 19425 9122 1 11 . 1 1 127 127 GLY H H 127 8.181 8.181 8.416 -0.235 19425 9123 1 11 . 1 1 128 128 MET N N 128 118.598 118.598 118.844 -0.246 19425 9124 1 11 . 1 1 128 128 MET C C 128 173.200 173.200 174.950 -1.750 19425 9125 1 11 . 1 1 128 128 MET CA C 128 55.429 55.429 56.475 -1.046 19425 9126 1 11 . 1 1 128 128 MET CB C 128 35.988 35.988 34.005 1.983 19425 9127 1 11 . 1 1 128 128 MET H H 128 7.551 7.551 7.507 0.044 19425 9128 1 11 . 1 1 129 129 TYR N N 129 116.715 116.715 114.495 2.220 19425 9129 1 11 . 1 1 129 129 TYR C C 129 172.884 172.884 175.870 -2.986 19425 9130 1 11 . 1 1 129 129 TYR CA C 129 58.658 58.658 57.139 1.519 19425 9131 1 11 . 1 1 129 129 TYR CB C 129 40.914 40.914 41.137 -0.223 19425 9132 1 11 . 1 1 129 129 TYR H H 129 8.923 8.923 8.483 0.440 19425 9133 1 11 . 1 1 130 130 LEU N N 130 123.061 123.061 124.763 -1.702 19425 9134 1 11 . 1 1 130 130 LEU C C 130 176.677 176.677 176.612 0.065 19425 9135 1 11 . 1 1 130 130 LEU CA C 130 56.311 56.311 56.379 -0.068 19425 9136 1 11 . 1 1 130 130 LEU CB C 130 42.909 42.909 42.334 0.575 19425 9137 1 11 . 1 1 130 130 LEU H H 130 8.236 8.236 8.954 -0.718 19425 9138 1 11 . 1 1 131 131 CYS N N 131 126.618 126.618 127.076 -0.458 19425 9139 1 11 . 1 1 131 131 CYS C C 131 177.616 177.616 173.035 4.581 19425 9140 1 11 . 1 1 131 131 CYS CA C 131 57.028 57.028 57.610 -0.582 19425 9141 1 11 . 1 1 131 131 CYS CB C 131 32.339 32.339 31.409 0.930 19425 9142 1 11 . 1 1 131 131 CYS H H 131 9.516 9.516 9.415 0.101 19425 9143 1 11 . 1 1 132 132 CYS N N 132 124.860 124.860 127.849 -2.989 19425 9144 1 11 . 1 1 132 132 CYS C C 132 172.309 172.309 174.372 -2.063 19425 9145 1 11 . 1 1 132 132 CYS CA C 132 59.436 59.436 57.732 1.704 19425 9146 1 11 . 1 1 132 132 CYS CB C 132 27.383 27.383 25.841 1.542 19425 9147 1 11 . 1 1 132 132 CYS H H 132 8.142 8.142 8.270 -0.128 19425 9148 1 11 . 1 1 133 133 LEU N N 133 131.382 131.382 127.534 3.848 19425 9149 1 11 . 1 1 133 133 LEU C C 133 174.035 174.035 177.500 -3.465 19425 9150 1 11 . 1 1 133 133 LEU CA C 133 54.799 54.799 55.202 -0.403 19425 9151 1 11 . 1 1 133 133 LEU CB C 133 41.109 41.109 42.586 -1.477 19425 9152 1 11 . 1 1 133 133 LEU H H 133 9.008 9.008 8.367 0.641 19425 9153 1 11 . 1 1 134 134 SER N N 134 112.103 112.103 113.615 -1.512 19425 9154 1 11 . 1 1 134 134 SER C C 134 175.519 175.519 174.631 0.888 19425 9155 1 11 . 1 1 134 134 SER CA C 134 58.320 58.320 59.511 -1.191 19425 9156 1 11 . 1 1 134 134 SER CB C 134 63.979 63.979 63.359 0.620 19425 9157 1 11 . 1 1 134 134 SER H H 134 8.229 8.229 8.584 -0.355 19425 9158 1 11 . 1 1 135 135 THR N N 135 111.693 111.693 113.115 -1.422 19425 9159 1 11 . 1 1 135 135 THR C C 135 174.535 174.535 175.241 -0.706 19425 9160 1 11 . 1 1 135 135 THR CA C 135 60.703 60.703 61.193 -0.490 19425 9161 1 11 . 1 1 135 135 THR CB C 135 70.624 70.624 70.067 0.557 19425 9162 1 11 . 1 1 135 135 THR H H 135 7.292 7.292 7.349 -0.057 19425 9163 1 11 . 1 1 136 136 SER N N 136 117.260 117.260 122.915 -5.655 19425 9164 1 11 . 1 1 136 136 SER C C 136 173.478 173.478 174.757 -1.279 19425 9165 1 11 . 1 1 136 136 SER CA C 136 57.537 57.537 61.950 -4.413 19425 9166 1 11 . 1 1 136 136 SER CB C 136 64.593 64.593 64.030 0.563 19425 9167 1 11 . 1 1 136 136 SER H H 136 8.544 8.544 9.111 -0.567 19425 9168 1 11 . 1 1 137 137 ARG N N 137 124.804 124.804 113.218 11.586 19425 9169 1 11 . 1 1 137 137 ARG C C 137 175.000 175.000 175.389 -0.389 19425 9170 1 11 . 1 1 137 137 ARG CA C 137 56.922 56.922 56.794 0.128 19425 9171 1 11 . 1 1 137 137 ARG CB C 137 30.733 30.733 30.969 -0.236 19425 9172 1 11 . 1 1 137 137 ARG H H 137 9.231 9.231 8.030 1.201 19425 9173 1 11 . 1 1 138 138 SER N N 138 126.225 126.225 115.483 10.742 19425 9174 1 11 . 1 1 138 138 SER C C 138 175.871 175.871 175.229 0.642 19425 9175 1 11 . 1 1 138 138 SER CA C 138 61.891 61.891 58.663 3.228 19425 9176 1 11 . 1 1 138 138 SER CB C 138 62.730 62.730 63.484 -0.754 19425 9177 1 11 . 1 1 138 138 SER H H 138 7.891 7.891 8.226 -0.335 19425 9178 1 11 . 1 1 140 140 THR N N 140 114.799 114.799 114.350 0.449 19425 9179 1 11 . 1 1 140 140 THR C C 140 173.756 173.756 173.622 0.134 19425 9180 1 11 . 1 1 140 140 THR CA C 140 62.895 62.895 61.961 0.934 19425 9181 1 11 . 1 1 140 140 THR CB C 140 69.332 69.332 70.227 -0.895 19425 9182 1 11 . 1 1 140 140 THR H H 140 8.168 8.168 7.899 0.269 19425 9183 1 11 . 1 1 141 141 ASP N N 141 121.772 121.772 113.353 8.419 19425 9184 1 11 . 1 1 141 141 ASP C C 141 174.795 174.795 175.936 -1.141 19425 9185 1 11 . 1 1 141 141 ASP CA C 141 54.001 54.001 54.579 -0.578 19425 9186 1 11 . 1 1 141 141 ASP CB C 141 40.914 40.914 41.498 -0.584 19425 9187 1 11 . 1 1 141 141 ASP H H 141 8.049 8.049 8.486 -0.437 19425 9188 1 11 . 1 1 142 142 LYS N N 142 121.585 121.585 119.579 2.006 19425 9189 1 11 . 1 1 142 142 LYS C C 142 176.274 176.274 176.545 -0.271 19425 9190 1 11 . 1 1 142 142 LYS CA C 142 57.106 57.106 56.463 0.643 19425 9191 1 11 . 1 1 142 142 LYS CB C 142 31.369 31.369 33.566 -2.197 19425 9192 1 11 . 1 1 142 142 LYS H H 142 8.376 8.376 8.102 0.274 19425 9193 1 11 . 1 1 143 143 LEU N N 143 119.604 119.604 119.868 -0.264 19425 9194 1 11 . 1 1 143 143 LEU C C 143 176.798 176.798 176.771 0.027 19425 9195 1 11 . 1 1 143 143 LEU CA C 143 55.261 55.261 56.948 -1.687 19425 9196 1 11 . 1 1 143 143 LEU CB C 143 41.487 41.487 41.497 -0.010 19425 9197 1 11 . 1 1 143 143 LEU H H 143 8.262 8.262 7.950 0.312 19425 9198 1 11 . 1 1 144 144 ALA N N 144 123.881 123.881 116.799 7.082 19425 9199 1 11 . 1 1 144 144 ALA C C 144 176.410 176.410 176.320 0.090 19425 9200 1 11 . 1 1 144 144 ALA CA C 144 51.335 51.335 50.209 1.126 19425 9201 1 11 . 1 1 144 144 ALA CB C 144 20.924 20.924 21.698 -0.774 19425 9202 1 11 . 1 1 144 144 ALA H H 144 7.614 7.614 7.513 0.101 19425 9203 1 11 . 1 1 145 145 PHE N N 145 120.083 120.083 118.476 1.607 19425 9204 1 11 . 1 1 145 145 PHE C C 145 176.948 176.948 175.501 1.447 19425 9205 1 11 . 1 1 145 145 PHE CA C 145 55.872 55.872 56.179 -0.307 19425 9206 1 11 . 1 1 145 145 PHE CB C 145 42.468 42.468 41.359 1.109 19425 9207 1 11 . 1 1 145 145 PHE H H 145 8.647 8.647 8.597 0.050 19425 9208 1 11 . 1 1 146 146 ASP N N 146 119.893 119.893 120.403 -0.510 19425 9209 1 11 . 1 1 146 146 ASP C C 146 175.519 175.519 174.524 0.995 19425 9210 1 11 . 1 1 146 146 ASP CA C 146 54.679 54.679 54.755 -0.076 19425 9211 1 11 . 1 1 146 146 ASP CB C 146 42.169 42.169 42.763 -0.594 19425 9212 1 11 . 1 1 146 146 ASP H H 146 8.692 8.692 8.989 -0.297 19425 9213 1 11 . 1 1 147 147 VAL N N 147 118.800 118.800 121.975 -3.175 19425 9214 1 11 . 1 1 147 147 VAL C C 147 174.053 174.053 175.558 -1.505 19425 9215 1 11 . 1 1 147 147 VAL CA C 147 60.671 60.671 61.413 -0.742 19425 9216 1 11 . 1 1 147 147 VAL CB C 147 35.326 35.326 32.961 2.365 19425 9217 1 11 . 1 1 147 147 VAL H H 147 8.224 8.224 8.523 -0.299 19425 9218 1 11 . 1 1 148 148 GLY N N 148 113.226 113.226 114.704 -1.478 19425 9219 1 11 . 1 1 148 148 GLY C C 148 175.141 175.141 172.273 2.868 19425 9220 1 11 . 1 1 148 148 GLY CA C 148 45.384 45.384 43.763 1.621 19425 9221 1 11 . 1 1 148 148 GLY H H 148 8.594 8.594 8.831 -0.237 19425 9222 1 11 . 1 1 149 149 LEU N N 149 120.880 120.880 119.397 1.483 19425 9223 1 11 . 1 1 149 149 LEU C C 149 170.973 170.973 176.049 -5.076 19425 9224 1 11 . 1 1 149 149 LEU CA C 149 53.299 53.299 53.690 -0.391 19425 9225 1 11 . 1 1 149 149 LEU CB C 149 43.938 43.938 45.591 -1.653 19425 9226 1 11 . 1 1 149 149 LEU H H 149 8.303 8.303 8.084 0.219 19425 9227 1 11 . 1 1 150 150 GLN N N 150 118.978 118.978 119.843 -0.865 19425 9228 1 11 . 1 1 150 150 GLN C C 150 177.133 177.133 175.822 1.311 19425 9229 1 11 . 1 1 150 150 GLN CA C 150 54.723 54.723 55.072 -0.348 19425 9230 1 11 . 1 1 150 150 GLN CB C 150 32.690 32.690 32.544 0.146 19425 9231 1 11 . 1 1 150 150 GLN H H 150 9.115 9.115 8.736 0.379 19425 9232 1 11 . 1 1 151 151 GLU N N 151 121.344 121.344 125.248 -3.904 19425 9233 1 11 . 1 1 151 151 GLU C C 151 175.333 175.333 175.676 -0.343 19425 9234 1 11 . 1 1 151 151 GLU CA C 151 59.140 59.140 58.562 0.577 19425 9235 1 11 . 1 1 151 151 GLU CB C 151 30.735 30.735 29.882 0.853 19425 9236 1 11 . 1 1 151 151 GLU H H 151 9.142 9.142 8.872 0.270 19425 9237 1 11 . 1 1 152 152 ASP N N 152 117.494 117.494 117.676 -0.182 19425 9238 1 11 . 1 1 152 152 ASP C C 152 176.391 176.391 176.459 -0.068 19425 9239 1 11 . 1 1 152 152 ASP CA C 152 54.139 54.139 54.502 -0.363 19425 9240 1 11 . 1 1 152 152 ASP CB C 152 41.920 41.920 41.005 0.915 19425 9241 1 11 . 1 1 152 152 ASP H H 152 8.023 8.023 8.041 -0.018 19425 9242 1 11 . 1 1 153 153 THR N N 153 111.969 111.969 106.995 4.974 19425 9243 1 11 . 1 1 153 153 THR C C 153 175.964 175.964 175.004 0.960 19425 9244 1 11 . 1 1 153 153 THR CA C 153 61.894 61.894 61.685 0.209 19425 9245 1 11 . 1 1 153 153 THR CB C 153 68.903 68.903 69.052 -0.149 19425 9246 1 11 . 1 1 153 153 THR H H 153 7.985 7.985 8.046 -0.061 19425 9247 1 11 . 1 1 154 154 THR N N 154 113.978 113.978 113.910 0.068 19425 9248 1 11 . 1 1 154 154 THR C C 154 175.000 175.000 175.237 -0.237 19425 9249 1 11 . 1 1 154 154 THR CA C 154 62.359 62.359 63.678 -1.319 19425 9250 1 11 . 1 1 154 154 THR CB C 154 69.210 69.210 68.639 0.571 19425 9251 1 11 . 1 1 154 154 THR H H 154 7.790 7.790 7.692 0.098 19425 9252 1 11 . 1 1 155 155 GLY N N 155 108.411 108.411 114.157 -5.746 19425 9253 1 11 . 1 1 155 155 GLY C C 155 174.702 174.702 172.474 2.228 19425 9254 1 11 . 1 1 155 155 GLY CA C 155 44.737 44.737 44.734 0.003 19425 9255 1 11 . 1 1 155 155 GLY H H 155 7.639 7.639 8.099 -0.460 19425 9256 1 11 . 1 1 156 156 GLU N N 156 118.666 118.666 120.503 -1.837 19425 9257 1 11 . 1 1 156 156 GLU C C 156 173.571 173.571 177.855 -4.284 19425 9258 1 11 . 1 1 156 156 GLU CA C 156 59.352 59.352 57.039 2.312 19425 9259 1 11 . 1 1 156 156 GLU CB C 156 31.248 31.248 30.272 0.976 19425 9260 1 11 . 1 1 156 156 GLU H H 156 8.606 8.606 8.717 -0.111 19425 9261 1 11 . 1 1 157 157 ALA N N 157 118.664 118.664 123.632 -4.968 19425 9262 1 11 . 1 1 157 157 ALA C C 157 177.727 177.727 178.262 -0.535 19425 9263 1 11 . 1 1 157 157 ALA CA C 157 55.063 55.063 54.908 0.155 19425 9264 1 11 . 1 1 157 157 ALA CB C 157 18.856 18.856 18.164 0.692 19425 9265 1 11 . 1 1 157 157 ALA H H 157 8.159 8.159 8.568 -0.409 19425 9266 1 11 . 1 1 158 158 CYS N N 158 114.681 114.681 115.179 -0.498 19425 9267 1 11 . 1 1 158 158 CYS C C 158 179.972 179.972 173.387 6.585 19425 9268 1 11 . 1 1 158 158 CYS CA C 158 57.585 57.585 57.498 0.086 19425 9269 1 11 . 1 1 158 158 CYS CB C 158 27.977 27.977 25.850 2.127 19425 9270 1 11 . 1 1 158 158 CYS H H 158 7.973 7.973 8.305 -0.332 19425 9271 1 11 . 1 1 165 165 ALA N N 165 122.416 122.416 128.035 -5.619 19425 9272 1 11 . 1 1 165 165 ALA C C 165 176.743 176.743 177.776 -1.033 19425 9273 1 11 . 1 1 165 165 ALA CA C 165 52.390 52.390 53.752 -1.362 19425 9274 1 11 . 1 1 165 165 ALA CB C 165 20.486 20.486 19.404 1.082 19425 9275 1 11 . 1 1 165 165 ALA H H 165 8.190 8.190 8.588 -0.398 19425 9276 1 11 . 1 1 166 166 SER N N 166 111.681 111.681 112.837 -1.156 19425 9277 1 11 . 1 1 166 166 SER C C 166 176.876 176.876 174.477 2.399 19425 9278 1 11 . 1 1 166 166 SER CA C 166 56.863 56.863 57.309 -0.446 19425 9279 1 11 . 1 1 166 166 SER CB C 166 65.738 65.738 64.754 0.984 19425 9280 1 11 . 1 1 166 166 SER H H 166 7.690 7.690 7.841 -0.151 19425 9281 1 11 . 1 1 167 167 LYS N N 167 121.655 121.655 118.590 3.065 19425 9282 1 11 . 1 1 167 167 LYS C C 167 175.241 175.241 176.478 -1.237 19425 9283 1 11 . 1 1 167 167 LYS CA C 167 55.297 55.297 56.925 -1.627 19425 9284 1 11 . 1 1 167 167 LYS CB C 167 31.364 31.364 32.271 -0.907 19425 9285 1 11 . 1 1 167 167 LYS H H 167 8.230 8.230 8.563 -0.333 19425 9286 1 11 . 1 1 168 168 GLN N N 168 117.832 117.832 116.912 0.920 19425 9287 1 11 . 1 1 168 168 GLN C C 168 176.836 176.836 176.682 0.154 19425 9288 1 11 . 1 1 168 168 GLN CA C 168 57.366 57.366 56.227 1.139 19425 9289 1 11 . 1 1 168 168 GLN CB C 168 28.979 28.979 28.663 0.316 19425 9290 1 11 . 1 1 168 168 GLN H H 168 8.134 8.134 8.107 0.027 19425 9291 1 11 . 1 1 169 169 ARG N N 169 117.052 117.052 120.561 -3.509 19425 9292 1 11 . 1 1 169 169 ARG C C 169 175.946 175.946 175.162 0.784 19425 9293 1 11 . 1 1 169 169 ARG CA C 169 52.885 52.885 54.845 -1.960 19425 9294 1 11 . 1 1 169 169 ARG CB C 169 32.795 32.795 30.898 1.897 19425 9295 1 11 . 1 1 169 169 ARG H H 169 7.209 7.209 7.845 -0.636 19425 9296 1 11 . 1 1 170 170 SER N N 170 114.335 114.335 114.768 -0.433 19425 9297 1 11 . 1 1 170 170 SER C C 170 174.387 174.387 173.607 0.780 19425 9298 1 11 . 1 1 170 170 SER CA C 170 56.976 56.976 56.732 0.244 19425 9299 1 11 . 1 1 170 170 SER CB C 170 66.348 66.348 67.103 -0.755 19425 9300 1 11 . 1 1 170 170 SER H H 170 8.279 8.279 8.438 -0.159 19425 9301 1 11 . 1 1 171 171 GLU N N 171 121.428 121.428 120.128 1.300 19425 9302 1 11 . 1 1 171 171 GLU C C 171 173.293 173.293 177.304 -4.011 19425 9303 1 11 . 1 1 171 171 GLU CA C 171 58.658 58.658 57.475 1.183 19425 9304 1 11 . 1 1 171 171 GLU CB C 171 28.693 28.693 28.863 -0.170 19425 9305 1 11 . 1 1 171 171 GLU H H 171 8.540 8.540 8.692 -0.152 19425 9306 1 11 . 1 1 172 172 GLY N N 172 113.162 113.162 114.168 -1.006 19425 9307 1 11 . 1 1 172 172 GLY C C 172 177.504 177.504 174.576 2.928 19425 9308 1 11 . 1 1 172 172 GLY CA C 172 45.452 45.452 44.992 0.460 19425 9309 1 11 . 1 1 172 172 GLY H H 172 8.676 8.676 9.048 -0.372 19425 9310 1 11 . 1 1 173 173 GLU N N 173 119.545 119.545 121.420 -1.875 19425 9311 1 11 . 1 1 173 173 GLU C C 173 173.311 173.311 176.111 -2.800 19425 9312 1 11 . 1 1 173 173 GLU CA C 173 55.689 55.689 56.699 -1.010 19425 9313 1 11 . 1 1 173 173 GLU CB C 173 31.204 31.204 30.767 0.437 19425 9314 1 11 . 1 1 173 173 GLU H H 173 7.805 7.805 7.827 -0.022 19425 9315 1 11 . 1 1 174 174 LYS N N 174 120.834 120.834 121.204 -0.370 19425 9316 1 11 . 1 1 174 174 LYS C C 174 175.352 175.352 177.008 -1.656 19425 9317 1 11 . 1 1 174 174 LYS CA C 174 57.207 57.207 57.029 0.178 19425 9318 1 11 . 1 1 174 174 LYS CB C 174 34.185 34.185 32.843 1.342 19425 9319 1 11 . 1 1 174 174 LYS H H 174 8.215 8.215 8.496 -0.281 19425 9320 1 11 . 1 1 175 175 VAL N N 175 122.529 122.529 124.669 -2.140 19425 9321 1 11 . 1 1 175 175 VAL C C 175 176.595 176.595 175.284 1.311 19425 9322 1 11 . 1 1 175 175 VAL CA C 175 63.046 63.046 62.059 0.987 19425 9323 1 11 . 1 1 175 175 VAL CB C 175 31.265 31.265 31.854 -0.589 19425 9324 1 11 . 1 1 175 175 VAL H H 175 7.914 7.914 8.536 -0.622 19425 9325 1 11 . 1 1 176 176 ARG N N 176 127.622 127.622 127.762 -0.140 19425 9326 1 11 . 1 1 176 176 ARG C C 176 175.742 175.742 176.807 -1.065 19425 9327 1 11 . 1 1 176 176 ARG CA C 176 55.767 55.767 55.191 0.576 19425 9328 1 11 . 1 1 176 176 ARG CB C 176 30.480 30.480 31.303 -0.823 19425 9329 1 11 . 1 1 176 176 ARG H H 176 7.570 7.570 8.711 -1.141 19425 9330 1 11 . 1 1 177 177 VAL N N 177 122.521 122.521 123.059 -0.538 19425 9331 1 11 . 1 1 177 177 VAL C C 177 177.523 177.523 177.364 0.159 19425 9332 1 11 . 1 1 177 177 VAL CA C 177 65.322 65.322 64.131 1.191 19425 9333 1 11 . 1 1 177 177 VAL CB C 177 31.431 31.431 30.622 0.809 19425 9334 1 11 . 1 1 177 177 VAL H H 177 8.276 8.276 7.955 0.321 19425 9335 1 11 . 1 1 179 179 ASP N N 179 122.577 122.577 123.411 -0.834 19425 9336 1 11 . 1 1 179 179 ASP C C 179 174.554 174.554 175.804 -1.250 19425 9337 1 11 . 1 1 179 179 ASP CA C 179 54.687 54.687 54.853 -0.166 19425 9338 1 11 . 1 1 179 179 ASP CB C 179 40.417 40.417 41.199 -0.782 19425 9339 1 11 . 1 1 179 179 ASP H H 179 7.848 7.848 7.945 -0.097 19425 9340 1 11 . 1 1 180 180 ASP N N 180 121.916 121.916 124.080 -2.164 19425 9341 1 11 . 1 1 180 180 ASP C C 180 174.610 174.610 175.913 -1.303 19425 9342 1 11 . 1 1 180 180 ASP CA C 180 54.379 54.379 54.848 -0.469 19425 9343 1 11 . 1 1 180 180 ASP CB C 180 42.178 42.178 40.870 1.308 19425 9344 1 11 . 1 1 180 180 ASP H H 180 8.521 8.521 8.516 0.005 19425 9345 1 11 . 1 1 181 181 LEU N N 181 121.499 121.499 123.773 -2.274 19425 9346 1 11 . 1 1 181 181 LEU C C 181 175.166 175.166 176.701 -1.535 19425 9347 1 11 . 1 1 181 181 LEU CA C 181 54.379 54.379 53.716 0.663 19425 9348 1 11 . 1 1 181 181 LEU CB C 181 45.395 45.395 44.522 0.873 19425 9349 1 11 . 1 1 181 181 LEU H H 181 9.782 9.782 9.103 0.679 19425 9350 1 11 . 1 1 185 185 SER N N 185 122.939 122.939 123.692 -0.753 19425 9351 1 11 . 1 1 185 185 SER C C 185 175.871 175.871 174.936 0.935 19425 9352 1 11 . 1 1 185 185 SER CA C 185 57.514 57.514 59.188 -1.675 19425 9353 1 11 . 1 1 185 185 SER CB C 185 62.772 62.772 63.144 -0.372 19425 9354 1 11 . 1 1 185 185 SER H H 185 9.183 9.183 8.960 0.223 19425 9355 1 11 . 1 1 186 186 VAL N N 186 131.799 131.799 126.494 5.305 19425 9356 1 11 . 1 1 186 186 VAL C C 186 177.226 177.226 177.113 0.113 19425 9357 1 11 . 1 1 186 186 VAL CA C 186 65.883 65.883 65.236 0.647 19425 9358 1 11 . 1 1 186 186 VAL CB C 186 31.190 31.190 31.243 -0.053 19425 9359 1 11 . 1 1 186 186 VAL H H 186 8.285 8.285 8.274 0.011 19425 9360 1 11 . 1 1 187 187 SER N N 187 110.228 110.228 115.221 -4.993 19425 9361 1 11 . 1 1 187 187 SER C C 187 177.077 177.077 175.215 1.862 19425 9362 1 11 . 1 1 187 187 SER CA C 187 60.200 60.200 60.445 -0.245 19425 9363 1 11 . 1 1 187 187 SER CB C 187 62.264 62.264 63.391 -1.127 19425 9364 1 11 . 1 1 187 187 SER H H 187 7.000 7.000 7.926 -0.926 19425 9365 1 11 . 1 1 188 188 SER N N 188 115.022 115.022 115.076 -0.054 19425 9366 1 11 . 1 1 188 188 SER C C 188 176.632 176.632 172.804 3.828 19425 9367 1 11 . 1 1 188 188 SER CA C 188 58.889 58.889 58.090 0.799 19425 9368 1 11 . 1 1 188 188 SER CB C 188 66.818 66.818 63.679 3.139 19425 9369 1 11 . 1 1 188 188 SER H H 188 7.886 7.886 7.674 0.212 19425 9370 1 11 . 1 1 189 189 GLU N N 189 118.477 118.477 118.765 -0.288 19425 9371 1 11 . 1 1 189 189 GLU C C 189 175.000 175.000 174.474 0.526 19425 9372 1 11 . 1 1 189 189 GLU CA C 189 58.562 58.562 57.904 0.659 19425 9373 1 11 . 1 1 189 189 GLU CB C 189 27.420 27.420 27.523 -0.103 19425 9374 1 11 . 1 1 189 189 GLU H H 189 7.929 7.929 8.120 -0.191 19425 9375 1 11 . 1 1 190 190 ARG N N 190 116.828 116.828 116.819 0.009 19425 9376 1 11 . 1 1 190 190 ARG C C 190 173.868 173.868 175.845 -1.977 19425 9377 1 11 . 1 1 190 190 ARG CA C 190 54.238 54.238 54.432 -0.194 19425 9378 1 11 . 1 1 190 190 ARG CB C 190 32.141 32.141 33.231 -1.090 19425 9379 1 11 . 1 1 190 190 ARG H H 190 6.723 6.723 7.270 -0.547 19425 9380 1 11 . 1 1 191 191 TYR N N 191 118.733 118.733 121.288 -2.555 19425 9381 1 11 . 1 1 191 191 TYR C C 191 174.368 174.368 177.352 -2.984 19425 9382 1 11 . 1 1 191 191 TYR CA C 191 57.405 57.405 58.748 -1.343 19425 9383 1 11 . 1 1 191 191 TYR CB C 191 39.444 39.444 39.459 -0.015 19425 9384 1 11 . 1 1 191 191 TYR H H 191 8.912 8.912 8.980 -0.068 19425 9385 1 11 . 1 1 192 192 LEU N N 192 123.460 123.460 124.493 -1.033 19425 9386 1 11 . 1 1 192 192 LEU C C 192 176.753 176.753 176.123 0.630 19425 9387 1 11 . 1 1 192 192 LEU CA C 192 57.061 57.061 54.228 2.833 19425 9388 1 11 . 1 1 192 192 LEU CB C 192 41.351 41.351 40.589 0.763 19425 9389 1 11 . 1 1 192 192 LEU H H 192 8.836 8.836 8.922 -0.086 19425 9390 1 11 . 1 1 193 193 HIS N N 193 134.195 134.195 125.255 8.940 19425 9391 1 11 . 1 1 193 193 HIS C C 193 178.766 178.766 174.446 4.320 19425 9392 1 11 . 1 1 193 193 HIS CA C 193 56.349 56.349 56.163 0.186 19425 9393 1 11 . 1 1 193 193 HIS CB C 193 31.613 31.613 31.802 -0.189 19425 9394 1 11 . 1 1 193 193 HIS H H 193 10.227 10.227 8.915 1.312 19425 9395 1 11 . 1 1 194 194 LEU N N 194 128.500 128.500 127.467 1.033 19425 9396 1 11 . 1 1 194 194 LEU C C 194 170.268 170.268 175.058 -4.790 19425 9397 1 11 . 1 1 194 194 LEU CA C 194 54.139 54.139 53.857 0.282 19425 9398 1 11 . 1 1 194 194 LEU CB C 194 44.036 44.036 43.204 0.832 19425 9399 1 11 . 1 1 194 194 LEU H H 194 7.784 7.784 7.662 0.122 19425 9400 1 11 . 1 1 195 195 SER N N 195 122.195 122.195 122.075 0.120 19425 9401 1 11 . 1 1 195 195 SER C C 195 174.740 174.740 173.279 1.461 19425 9402 1 11 . 1 1 195 195 SER CA C 195 56.814 56.814 56.686 0.128 19425 9403 1 11 . 1 1 195 195 SER CB C 195 66.260 66.260 65.829 0.431 19425 9404 1 11 . 1 1 195 195 SER H H 195 9.042 9.042 8.909 0.133 19425 9405 1 11 . 1 1 196 196 TYR N N 196 124.809 124.809 127.943 -3.134 19425 9406 1 11 . 1 1 196 196 TYR C C 196 172.439 172.439 175.473 -3.034 19425 9407 1 11 . 1 1 196 196 TYR CA C 196 57.019 57.019 56.431 0.588 19425 9408 1 11 . 1 1 196 196 TYR CB C 196 39.817 39.817 38.314 1.503 19425 9409 1 11 . 1 1 196 196 TYR H H 196 8.657 8.657 8.858 -0.201 19425 9410 1 11 . 1 1 197 197 GLY N N 197 114.111 114.111 114.850 -0.739 19425 9411 1 11 . 1 1 197 197 GLY C C 197 176.113 176.113 174.074 2.039 19425 9412 1 11 . 1 1 197 197 GLY CA C 197 45.492 45.492 44.047 1.445 19425 9413 1 11 . 1 1 197 197 GLY H H 197 8.030 8.030 8.153 -0.123 19425 9414 1 11 . 1 1 200 200 SER N N 200 113.158 113.158 115.984 -2.826 19425 9415 1 11 . 1 1 200 200 SER C C 200 172.661 172.661 171.891 0.770 19425 9416 1 11 . 1 1 200 200 SER CA C 200 56.890 56.890 57.439 -0.549 19425 9417 1 11 . 1 1 200 200 SER CB C 200 65.522 65.522 65.642 -0.120 19425 9418 1 11 . 1 1 200 200 SER H H 200 6.893 6.893 7.015 -0.122 19425 9419 1 11 . 1 1 201 201 TRP N N 201 122.521 122.521 119.927 2.594 19425 9420 1 11 . 1 1 201 201 TRP C C 201 171.813 171.813 175.942 -4.129 19425 9421 1 11 . 1 1 201 201 TRP CA C 201 56.990 56.990 56.434 0.557 19425 9422 1 11 . 1 1 201 201 TRP CB C 201 31.501 31.501 31.475 0.026 19425 9423 1 11 . 1 1 201 201 TRP H H 201 8.243 8.243 8.268 -0.025 19425 9424 1 11 . 1 1 202 202 HIS N N 202 121.171 121.171 118.404 2.767 19425 9425 1 11 . 1 1 202 202 HIS C C 202 173.805 173.805 173.675 0.130 19425 9426 1 11 . 1 1 202 202 HIS CA C 202 55.169 55.169 54.866 0.303 19425 9427 1 11 . 1 1 202 202 HIS CB C 202 32.254 32.254 34.092 -1.838 19425 9428 1 11 . 1 1 202 202 HIS H H 202 9.383 9.383 9.330 0.053 19425 9429 1 11 . 1 1 203 203 VAL N N 203 119.943 119.943 121.615 -1.672 19425 9430 1 11 . 1 1 203 203 VAL C C 203 172.439 172.439 174.455 -2.016 19425 9431 1 11 . 1 1 203 203 VAL CA C 203 58.683 58.683 59.709 -1.026 19425 9432 1 11 . 1 1 203 203 VAL CB C 203 33.957 33.957 34.529 -0.572 19425 9433 1 11 . 1 1 203 203 VAL H H 203 8.649 8.649 8.862 -0.213 19425 9434 1 11 . 1 1 204 204 ASP N N 204 127.907 127.907 126.197 1.710 19425 9435 1 11 . 1 1 204 204 ASP C C 204 173.162 173.162 173.828 -0.666 19425 9436 1 11 . 1 1 204 204 ASP CA C 204 53.545 53.545 52.891 0.654 19425 9437 1 11 . 1 1 204 204 ASP CB C 204 42.169 42.169 44.344 -2.175 19425 9438 1 11 . 1 1 204 204 ASP H H 204 9.822 9.822 8.982 0.840 19425 9439 1 11 . 1 1 205 205 ALA N N 205 121.047 121.047 121.208 -0.161 19425 9440 1 11 . 1 1 205 205 ALA C C 205 172.754 172.754 176.289 -3.535 19425 9441 1 11 . 1 1 205 205 ALA CA C 205 50.147 50.147 50.620 -0.473 19425 9442 1 11 . 1 1 205 205 ALA CB C 205 19.642 19.642 19.366 0.276 19425 9443 1 11 . 1 1 205 205 ALA H H 205 9.176 9.176 8.484 0.692 19425 9444 1 11 . 1 1 206 206 ALA N N 206 127.318 127.318 126.273 1.045 19425 9445 1 11 . 1 1 206 206 ALA C C 206 176.465 176.465 175.961 0.504 19425 9446 1 11 . 1 1 206 206 ALA CA C 206 50.609 50.609 50.241 0.368 19425 9447 1 11 . 1 1 206 206 ALA CB C 206 23.819 23.819 21.788 2.031 19425 9448 1 11 . 1 1 206 206 ALA H H 206 9.088 9.088 7.978 1.110 19425 9449 1 11 . 1 1 207 207 PHE N N 207 117.878 117.878 117.084 0.794 19425 9450 1 11 . 1 1 207 207 PHE C C 207 176.576 176.576 175.704 0.872 19425 9451 1 11 . 1 1 207 207 PHE CA C 207 59.714 59.714 58.779 0.935 19425 9452 1 11 . 1 1 207 207 PHE CB C 207 38.239 38.239 38.804 -0.565 19425 9453 1 11 . 1 1 207 207 PHE H H 207 8.953 8.953 8.444 0.509 19425 9454 1 11 . 1 1 208 208 GLN N N 208 117.531 117.531 116.946 0.585 19425 9455 1 11 . 1 1 208 208 GLN C C 208 175.166 175.166 175.558 -0.392 19425 9456 1 11 . 1 1 208 208 GLN CA C 208 55.096 55.096 53.964 1.133 19425 9457 1 11 . 1 1 208 208 GLN CB C 208 30.437 30.437 30.237 0.200 19425 9458 1 11 . 1 1 208 208 GLN H H 208 6.613 6.613 7.750 -1.137 19425 9459 1 11 . 1 1 209 209 GLN N N 209 117.318 117.318 122.004 -4.686 19425 9460 1 11 . 1 1 209 209 GLN C C 209 173.162 173.162 175.676 -2.514 19425 9461 1 11 . 1 1 209 209 GLN CA C 209 56.217 56.217 56.913 -0.696 19425 9462 1 11 . 1 1 209 209 GLN CB C 209 29.912 29.912 29.418 0.494 19425 9463 1 11 . 1 1 209 209 GLN H H 209 8.108 8.108 8.287 -0.179 19425 9464 1 11 . 1 1 210 210 THR N N 210 116.616 116.616 113.388 3.228 19425 9465 1 11 . 1 1 210 210 THR C C 210 176.150 176.150 172.707 3.443 19425 9466 1 11 . 1 1 210 210 THR CA C 210 62.848 62.848 62.080 0.768 19425 9467 1 11 . 1 1 210 210 THR CB C 210 73.244 73.244 70.449 2.795 19425 9468 1 11 . 1 1 210 210 THR H H 210 6.641 6.641 8.301 -1.660 19425 9469 1 11 . 1 1 211 211 LEU N N 211 126.776 126.776 127.258 -0.482 19425 9470 1 11 . 1 1 211 211 LEU C C 211 171.418 171.418 175.689 -4.271 19425 9471 1 11 . 1 1 211 211 LEU CA C 211 55.012 55.012 54.831 0.181 19425 9472 1 11 . 1 1 211 211 LEU CB C 211 41.627 41.627 42.346 -0.719 19425 9473 1 11 . 1 1 211 211 LEU H H 211 8.418 8.418 8.403 0.015 19425 9474 1 11 . 1 1 212 212 TRP N N 212 124.678 124.678 124.461 0.217 19425 9475 1 11 . 1 1 212 212 TRP C C 212 175.742 175.742 175.789 -0.047 19425 9476 1 11 . 1 1 212 212 TRP CA C 212 56.052 56.052 55.692 0.360 19425 9477 1 11 . 1 1 212 212 TRP CB C 212 31.169 31.169 32.950 -1.781 19425 9478 1 11 . 1 1 212 212 TRP H H 212 9.462 9.462 9.213 0.249 19425 9479 1 11 . 1 1 213 213 SER N N 213 118.197 118.197 117.140 1.057 19425 9480 1 11 . 1 1 213 213 SER C C 213 175.575 175.575 173.894 1.681 19425 9481 1 11 . 1 1 213 213 SER CA C 213 57.141 57.141 55.942 1.199 19425 9482 1 11 . 1 1 213 213 SER CB C 213 64.800 64.800 63.288 1.512 19425 9483 1 11 . 1 1 213 213 SER H H 213 9.642 9.642 9.403 0.239 19425 9484 1 11 . 1 1 214 214 VAL N N 214 125.581 125.581 130.572 -4.991 19425 9485 1 11 . 1 1 214 214 VAL C C 214 174.183 174.183 174.878 -0.695 19425 9486 1 11 . 1 1 214 214 VAL CA C 214 61.398 61.398 62.037 -0.639 19425 9487 1 11 . 1 1 214 214 VAL CB C 214 32.502 32.502 31.645 0.857 19425 9488 1 11 . 1 1 214 214 VAL H H 214 8.433 8.433 8.584 -0.151 19425 9489 1 11 . 1 1 215 215 ALA N N 215 130.074 130.074 131.501 -1.427 19425 9490 1 11 . 1 1 215 215 ALA C C 215 174.647 174.647 174.312 0.335 19425 9491 1 11 . 1 1 215 215 ALA CA C 215 49.058 49.058 48.472 0.586 19425 9492 1 11 . 1 1 215 215 ALA CB C 215 20.299 20.299 20.359 -0.060 19425 9493 1 11 . 1 1 215 215 ALA H H 215 8.572 8.572 8.379 0.193 19425 9494 1 12 . 1 1 13 13 PHE N N 13 122.001 122.001 121.253 0.748 19425 9495 1 12 . 1 1 13 13 PHE C C 13 174.608 174.608 175.800 -1.192 19425 9496 1 12 . 1 1 13 13 PHE CA C 13 56.445 56.445 55.948 0.497 19425 9497 1 12 . 1 1 13 13 PHE CB C 13 41.650 41.650 42.017 -0.367 19425 9498 1 12 . 1 1 13 13 PHE H H 13 8.209 8.209 8.200 0.009 19425 9499 1 12 . 1 1 14 14 LEU N N 14 122.475 122.475 123.748 -1.273 19425 9500 1 12 . 1 1 14 14 LEU C C 14 175.630 175.630 176.000 -0.370 19425 9501 1 12 . 1 1 14 14 LEU CA C 14 55.024 55.024 54.885 0.139 19425 9502 1 12 . 1 1 14 14 LEU CB C 14 43.987 43.987 42.082 1.905 19425 9503 1 12 . 1 1 14 14 LEU H H 14 8.264 8.264 8.990 -0.726 19425 9504 1 12 . 1 1 15 15 ARG N N 15 121.510 121.510 122.920 -1.410 19425 9505 1 12 . 1 1 15 15 ARG C C 15 175.630 175.630 177.309 -1.679 19425 9506 1 12 . 1 1 15 15 ARG CA C 15 54.007 54.007 52.767 1.240 19425 9507 1 12 . 1 1 15 15 ARG CB C 15 34.536 34.536 32.660 1.876 19425 9508 1 12 . 1 1 15 15 ARG H H 15 8.653 8.653 8.238 0.415 19425 9509 1 12 . 1 1 16 16 THR N N 16 110.840 110.840 114.056 -3.216 19425 9510 1 12 . 1 1 16 16 THR C C 16 175.946 175.946 175.704 0.242 19425 9511 1 12 . 1 1 16 16 THR CA C 16 62.950 62.950 63.346 -0.396 19425 9512 1 12 . 1 1 16 16 THR CB C 16 69.276 69.276 69.740 -0.464 19425 9513 1 12 . 1 1 16 16 THR H H 16 8.815 8.815 8.603 0.212 19425 9514 1 12 . 1 1 17 17 ASP N N 17 114.036 114.036 119.567 -5.531 19425 9515 1 12 . 1 1 17 17 ASP C C 17 175.686 175.686 175.106 0.580 19425 9516 1 12 . 1 1 17 17 ASP CA C 17 57.735 57.735 56.503 1.232 19425 9517 1 12 . 1 1 17 17 ASP CB C 17 39.928 39.928 40.113 -0.185 19425 9518 1 12 . 1 1 17 17 ASP H H 17 9.241 9.241 9.068 0.173 19425 9519 1 12 . 1 1 18 18 ASP N N 18 122.062 122.062 121.773 0.289 19425 9520 1 12 . 1 1 18 18 ASP C C 18 175.946 175.946 176.075 -0.129 19425 9521 1 12 . 1 1 18 18 ASP CA C 18 56.214 56.214 55.090 1.124 19425 9522 1 12 . 1 1 18 18 ASP CB C 18 40.985 40.985 41.261 -0.276 19425 9523 1 12 . 1 1 18 18 ASP H H 18 8.035 8.035 7.615 0.420 19425 9524 1 12 . 1 1 19 19 GLU N N 19 122.006 122.006 124.188 -2.182 19425 9525 1 12 . 1 1 19 19 GLU C C 19 175.055 175.055 176.129 -1.074 19425 9526 1 12 . 1 1 19 19 GLU CA C 19 55.262 55.262 56.643 -1.381 19425 9527 1 12 . 1 1 19 19 GLU CB C 19 30.712 30.712 30.362 0.350 19425 9528 1 12 . 1 1 19 19 GLU H H 19 8.274 8.274 8.607 -0.333 19425 9529 1 12 . 1 1 20 20 VAL N N 20 118.214 118.214 121.552 -3.338 19425 9530 1 12 . 1 1 20 20 VAL C C 20 176.855 176.855 173.721 3.134 19425 9531 1 12 . 1 1 20 20 VAL CA C 20 59.054 59.054 58.718 0.336 19425 9532 1 12 . 1 1 20 20 VAL CB C 20 36.780 36.780 36.291 0.489 19425 9533 1 12 . 1 1 20 20 VAL H H 20 9.779 9.779 9.186 0.593 19425 9534 1 12 . 1 1 21 21 VAL N N 21 115.443 115.443 115.093 0.350 19425 9535 1 12 . 1 1 21 21 VAL C C 21 173.830 173.830 174.134 -0.304 19425 9536 1 12 . 1 1 21 21 VAL CA C 21 60.308 60.308 59.923 0.385 19425 9537 1 12 . 1 1 21 21 VAL CB C 21 34.625 34.625 35.119 -0.494 19425 9538 1 12 . 1 1 21 21 VAL H H 21 8.167 8.167 8.376 -0.209 19425 9539 1 12 . 1 1 22 22 LEU N N 22 128.072 128.072 127.748 0.324 19425 9540 1 12 . 1 1 22 22 LEU C C 22 174.858 174.858 176.072 -1.214 19425 9541 1 12 . 1 1 22 22 LEU CA C 22 55.656 55.656 54.248 1.408 19425 9542 1 12 . 1 1 22 22 LEU CB C 22 42.545 42.545 42.330 0.215 19425 9543 1 12 . 1 1 22 22 LEU H H 22 10.103 10.103 8.836 1.267 19425 9544 1 12 . 1 1 23 23 GLN N N 23 120.609 120.609 123.283 -2.674 19425 9545 1 12 . 1 1 23 23 GLN C C 23 175.500 175.500 175.165 0.335 19425 9546 1 12 . 1 1 23 23 GLN CA C 23 53.710 53.710 54.251 -0.541 19425 9547 1 12 . 1 1 23 23 GLN CB C 23 33.697 33.697 33.353 0.344 19425 9548 1 12 . 1 1 23 23 GLN H H 23 9.119 9.119 8.739 0.380 19425 9549 1 12 . 1 1 24 24 CYS N N 24 118.659 118.659 119.855 -1.196 19425 9550 1 12 . 1 1 24 24 CYS C C 24 174.443 174.443 173.875 0.568 19425 9551 1 12 . 1 1 24 24 CYS CA C 24 55.261 55.261 55.056 0.205 19425 9552 1 12 . 1 1 24 24 CYS CB C 24 30.302 30.302 30.382 -0.080 19425 9553 1 12 . 1 1 24 24 CYS H H 24 8.993 8.993 9.167 -0.174 19425 9554 1 12 . 1 1 25 25 THR N N 25 116.266 116.266 120.683 -4.417 19425 9555 1 12 . 1 1 25 25 THR C C 25 172.457 172.457 173.931 -1.474 19425 9556 1 12 . 1 1 25 25 THR CA C 25 61.858 61.858 63.396 -1.538 19425 9557 1 12 . 1 1 25 25 THR CB C 25 70.271 70.271 68.841 1.430 19425 9558 1 12 . 1 1 25 25 THR H H 25 8.480 8.480 8.625 -0.145 19425 9559 1 12 . 1 1 26 26 ALA N N 26 129.739 129.739 131.332 -1.593 19425 9560 1 12 . 1 1 26 26 ALA C C 26 172.717 172.717 175.222 -2.505 19425 9561 1 12 . 1 1 26 26 ALA CA C 26 50.642 50.642 49.916 0.726 19425 9562 1 12 . 1 1 26 26 ALA CB C 26 21.315 21.315 19.721 1.594 19425 9563 1 12 . 1 1 26 26 ALA H H 26 8.590 8.590 8.625 -0.035 19425 9564 1 12 . 1 1 27 27 THR N N 27 116.574 116.574 119.212 -2.638 19425 9565 1 12 . 1 1 27 27 THR C C 27 173.181 173.181 173.779 -0.598 19425 9566 1 12 . 1 1 27 27 THR CA C 27 61.919 61.919 61.224 0.695 19425 9567 1 12 . 1 1 27 27 THR CB C 27 69.696 69.696 70.769 -1.073 19425 9568 1 12 . 1 1 27 27 THR H H 27 8.110 8.110 8.301 -0.191 19425 9569 1 12 . 1 1 28 28 ILE N N 28 126.342 126.342 125.046 1.296 19425 9570 1 12 . 1 1 28 28 ILE C C 28 173.793 173.793 174.570 -0.777 19425 9571 1 12 . 1 1 28 28 ILE CA C 28 60.407 60.407 61.265 -0.858 19425 9572 1 12 . 1 1 28 28 ILE CB C 28 39.536 39.536 40.447 -0.910 19425 9573 1 12 . 1 1 28 28 ILE H H 28 8.483 8.483 8.727 -0.244 19425 9574 1 12 . 1 1 29 29 HIS N N 29 126.364 126.364 125.901 0.463 19425 9575 1 12 . 1 1 29 29 HIS C C 29 175.259 175.259 174.241 1.018 19425 9576 1 12 . 1 1 29 29 HIS CA C 29 57.174 57.174 57.202 -0.028 19425 9577 1 12 . 1 1 29 29 HIS CB C 29 28.029 28.029 28.361 -0.332 19425 9578 1 12 . 1 1 29 29 HIS H H 29 9.110 9.110 8.415 0.695 19425 9579 1 12 . 1 1 31 31 GLU N N 31 120.962 120.962 119.815 1.147 19425 9580 1 12 . 1 1 31 31 GLU C C 31 175.575 175.575 174.296 1.279 19425 9581 1 12 . 1 1 31 31 GLU CA C 31 55.394 55.394 55.581 -0.187 19425 9582 1 12 . 1 1 31 31 GLU CB C 31 31.576 31.576 32.392 -0.817 19425 9583 1 12 . 1 1 31 31 GLU H H 31 8.047 8.047 7.764 0.283 19425 9584 1 12 . 1 1 32 32 GLN N N 32 123.171 123.171 126.570 -3.399 19425 9585 1 12 . 1 1 32 32 GLN C C 32 175.185 175.185 174.771 0.414 19425 9586 1 12 . 1 1 32 32 GLN CA C 32 54.496 54.496 54.766 -0.270 19425 9587 1 12 . 1 1 32 32 GLN CB C 32 30.054 30.054 31.290 -1.236 19425 9588 1 12 . 1 1 32 32 GLN H H 32 8.646 8.646 8.773 -0.127 19425 9589 1 12 . 1 1 33 33 GLN N N 33 123.530 123.530 121.475 2.055 19425 9590 1 12 . 1 1 33 33 GLN C C 33 175.667 175.667 173.736 1.931 19425 9591 1 12 . 1 1 33 33 GLN CA C 33 54.616 54.616 54.262 0.354 19425 9592 1 12 . 1 1 33 33 GLN CB C 33 31.748 31.748 32.798 -1.050 19425 9593 1 12 . 1 1 33 33 GLN H H 33 8.839 8.839 8.778 0.061 19425 9594 1 12 . 1 1 34 34 LYS N N 34 124.601 124.601 120.696 3.905 19425 9595 1 12 . 1 1 34 34 LYS C C 34 173.812 173.812 174.831 -1.019 19425 9596 1 12 . 1 1 34 34 LYS CA C 34 55.755 55.755 55.228 0.527 19425 9597 1 12 . 1 1 34 34 LYS CB C 34 32.712 32.712 35.497 -2.785 19425 9598 1 12 . 1 1 34 34 LYS H H 34 8.589 8.589 8.537 0.052 19425 9599 1 12 . 1 1 35 35 LEU N N 35 126.071 126.071 122.787 3.284 19425 9600 1 12 . 1 1 35 35 LEU C C 35 175.445 175.445 175.460 -0.015 19425 9601 1 12 . 1 1 35 35 LEU CA C 35 53.347 53.347 53.011 0.336 19425 9602 1 12 . 1 1 35 35 LEU CB C 35 44.943 44.943 45.992 -1.049 19425 9603 1 12 . 1 1 35 35 LEU H H 35 8.794 8.794 8.384 0.410 19425 9604 1 12 . 1 1 36 36 CYS N N 36 118.373 118.373 121.890 -3.517 19425 9605 1 12 . 1 1 36 36 CYS C C 36 176.057 176.057 174.634 1.423 19425 9606 1 12 . 1 1 36 36 CYS CA C 36 57.174 57.174 56.614 0.560 19425 9607 1 12 . 1 1 36 36 CYS CB C 36 30.306 30.306 29.609 0.697 19425 9608 1 12 . 1 1 36 36 CYS H H 36 9.042 9.042 8.876 0.166 19425 9609 1 12 . 1 1 37 37 LEU N N 37 129.256 129.256 129.570 -0.314 19425 9610 1 12 . 1 1 37 37 LEU C C 37 174.090 174.090 175.004 -0.914 19425 9611 1 12 . 1 1 37 37 LEU CA C 37 56.349 56.349 55.568 0.781 19425 9612 1 12 . 1 1 37 37 LEU CB C 37 42.689 42.689 42.189 0.500 19425 9613 1 12 . 1 1 37 37 LEU H H 37 8.811 8.811 8.876 -0.065 19425 9614 1 12 . 1 1 38 38 ALA N N 38 127.229 127.229 128.600 -1.371 19425 9615 1 12 . 1 1 38 38 ALA C C 38 174.517 174.517 175.162 -0.645 19425 9616 1 12 . 1 1 38 38 ALA CA C 38 50.609 50.609 49.462 1.147 19425 9617 1 12 . 1 1 38 38 ALA CB C 38 24.141 24.141 22.237 1.904 19425 9618 1 12 . 1 1 38 38 ALA H H 38 8.879 8.879 8.480 0.399 19425 9619 1 12 . 1 1 39 39 ALA N N 39 117.076 117.076 120.374 -3.298 19425 9620 1 12 . 1 1 39 39 ALA C C 39 174.665 174.665 174.733 -0.068 19425 9621 1 12 . 1 1 39 39 ALA CA C 39 51.500 51.500 51.734 -0.234 19425 9622 1 12 . 1 1 39 39 ALA CB C 39 20.996 20.996 21.651 -0.655 19425 9623 1 12 . 1 1 39 39 ALA H H 39 6.837 6.837 7.768 -0.931 19425 9624 1 12 . 1 1 40 40 GLU N N 40 119.966 119.966 119.134 0.832 19425 9625 1 12 . 1 1 40 40 GLU C C 40 176.205 176.205 176.409 -0.204 19425 9626 1 12 . 1 1 40 40 GLU CA C 40 55.950 55.950 54.867 1.083 19425 9627 1 12 . 1 1 40 40 GLU CB C 40 31.836 31.836 32.365 -0.529 19425 9628 1 12 . 1 1 40 40 GLU H H 40 8.413 8.413 8.712 -0.299 19425 9629 1 12 . 1 1 41 41 GLY N N 41 108.646 108.646 109.729 -1.083 19425 9630 1 12 . 1 1 41 41 GLY C C 41 176.892 176.892 173.856 3.036 19425 9631 1 12 . 1 1 41 41 GLY CA C 41 45.628 45.628 45.396 0.232 19425 9632 1 12 . 1 1 41 41 GLY H H 41 8.463 8.463 9.025 -0.562 19425 9633 1 12 . 1 1 43 43 GLY N N 43 109.557 109.557 113.492 -3.935 19425 9634 1 12 . 1 1 43 43 GLY C C 43 176.465 176.465 174.669 1.796 19425 9635 1 12 . 1 1 43 43 GLY CA C 43 45.397 45.397 45.739 -0.342 19425 9636 1 12 . 1 1 43 43 GLY H H 43 8.510 8.510 7.929 0.581 19425 9637 1 12 . 1 1 44 44 ASN N N 44 116.850 116.850 122.219 -5.369 19425 9638 1 12 . 1 1 44 44 ASN C C 44 173.830 173.830 175.345 -1.515 19425 9639 1 12 . 1 1 44 44 ASN CA C 44 54.184 54.184 52.669 1.515 19425 9640 1 12 . 1 1 44 44 ASN CB C 44 38.252 38.252 37.612 0.639 19425 9641 1 12 . 1 1 44 44 ASN H H 44 8.028 8.028 8.696 -0.668 19425 9642 1 12 . 1 1 45 45 ARG N N 45 118.226 118.226 114.518 3.708 19425 9643 1 12 . 1 1 45 45 ARG C C 45 174.072 174.072 174.787 -0.715 19425 9644 1 12 . 1 1 45 45 ARG CA C 45 56.077 56.077 57.228 -1.151 19425 9645 1 12 . 1 1 45 45 ARG CB C 45 31.231 31.231 27.060 4.171 19425 9646 1 12 . 1 1 45 45 ARG H H 45 7.759 7.759 7.525 0.234 19425 9647 1 12 . 1 1 46 46 LEU N N 46 124.643 124.643 118.864 5.779 19425 9648 1 12 . 1 1 46 46 LEU C C 46 176.447 176.447 177.114 -0.667 19425 9649 1 12 . 1 1 46 46 LEU CA C 46 54.667 54.667 54.785 -0.118 19425 9650 1 12 . 1 1 46 46 LEU CB C 46 42.605 42.605 42.803 -0.198 19425 9651 1 12 . 1 1 46 46 LEU H H 46 8.695 8.695 8.141 0.554 19425 9652 1 12 . 1 1 47 47 CYS N N 47 119.241 119.241 120.602 -1.361 19425 9653 1 12 . 1 1 47 47 CYS C C 47 176.651 176.651 175.084 1.567 19425 9654 1 12 . 1 1 47 47 CYS CA C 47 55.885 55.885 59.012 -3.127 19425 9655 1 12 . 1 1 47 47 CYS CB C 47 31.112 31.112 26.867 4.245 19425 9656 1 12 . 1 1 47 47 CYS H H 47 9.007 9.007 8.582 0.425 19425 9657 1 12 . 1 1 48 48 PHE N N 48 114.081 114.081 118.522 -4.441 19425 9658 1 12 . 1 1 48 48 PHE C C 48 170.342 170.342 173.086 -2.744 19425 9659 1 12 . 1 1 48 48 PHE CA C 48 57.405 57.405 55.926 1.479 19425 9660 1 12 . 1 1 48 48 PHE CB C 48 43.263 43.263 40.089 3.174 19425 9661 1 12 . 1 1 48 48 PHE H H 48 8.647 8.647 8.558 0.089 19425 9662 1 12 . 1 1 49 49 LEU N N 49 122.287 122.287 119.020 3.267 19425 9663 1 12 . 1 1 49 49 LEU C C 49 176.236 176.236 176.016 0.220 19425 9664 1 12 . 1 1 49 49 LEU CA C 49 53.285 53.285 53.844 -0.559 19425 9665 1 12 . 1 1 49 49 LEU CB C 49 42.907 42.907 45.796 -2.889 19425 9666 1 12 . 1 1 49 49 LEU H H 49 9.108 9.108 8.839 0.269 19425 9667 1 12 . 1 1 50 50 GLU N N 50 123.206 123.206 122.095 1.111 19425 9668 1 12 . 1 1 50 50 GLU C C 50 177.671 177.671 175.283 2.388 19425 9669 1 12 . 1 1 50 50 GLU CA C 50 57.084 57.084 54.705 2.380 19425 9670 1 12 . 1 1 50 50 GLU CB C 50 30.123 30.123 33.283 -3.160 19425 9671 1 12 . 1 1 50 50 GLU H H 50 8.834 8.834 8.593 0.241 19425 9672 1 12 . 1 1 51 51 SER N N 51 118.500 118.500 120.506 -2.006 19425 9673 1 12 . 1 1 51 51 SER C C 51 176.706 176.706 174.943 1.763 19425 9674 1 12 . 1 1 51 51 SER CA C 51 58.560 58.560 58.354 0.206 19425 9675 1 12 . 1 1 51 51 SER CB C 51 63.979 63.979 64.188 -0.209 19425 9676 1 12 . 1 1 51 51 SER H H 51 8.461 8.461 8.869 -0.408 19425 9677 1 12 . 1 1 52 52 THR N N 52 116.205 116.205 119.013 -2.808 19425 9678 1 12 . 1 1 52 52 THR C C 52 174.808 174.808 175.019 -0.211 19425 9679 1 12 . 1 1 52 52 THR CA C 52 61.891 61.891 60.410 1.481 19425 9680 1 12 . 1 1 52 52 THR CB C 52 70.076 70.076 70.595 -0.519 19425 9681 1 12 . 1 1 52 52 THR H H 52 8.199 8.199 8.214 -0.015 19425 9682 1 12 . 1 1 65 65 CYS N N 65 117.553 117.553 120.032 -2.479 19425 9683 1 12 . 1 1 65 65 CYS C C 65 176.948 176.948 174.202 2.746 19425 9684 1 12 . 1 1 65 65 CYS CA C 65 57.900 57.900 56.255 1.645 19425 9685 1 12 . 1 1 65 65 CYS CB C 65 30.290 30.290 26.936 3.354 19425 9686 1 12 . 1 1 65 65 CYS H H 65 7.539 7.539 7.758 -0.219 19425 9687 1 12 . 1 1 66 66 THR N N 66 113.614 113.614 119.351 -5.737 19425 9688 1 12 . 1 1 66 66 THR C C 66 180.325 180.325 173.423 6.902 19425 9689 1 12 . 1 1 66 66 THR CA C 66 63.399 63.399 64.171 -0.772 19425 9690 1 12 . 1 1 66 66 THR CB C 66 69.281 69.281 69.005 0.276 19425 9691 1 12 . 1 1 66 66 THR H H 66 6.851 6.851 7.213 -0.362 19425 9692 1 12 . 1 1 67 67 PHE N N 67 126.248 126.248 125.092 1.156 19425 9693 1 12 . 1 1 67 67 PHE C C 67 174.424 174.424 174.194 0.230 19425 9694 1 12 . 1 1 67 67 PHE CA C 67 56.184 56.184 56.765 -0.581 19425 9695 1 12 . 1 1 67 67 PHE CB C 67 43.291 43.291 44.402 -1.111 19425 9696 1 12 . 1 1 67 67 PHE H H 67 9.603 9.603 9.369 0.234 19425 9697 1 12 . 1 1 68 68 VAL N N 68 121.310 121.310 118.796 2.514 19425 9698 1 12 . 1 1 68 68 VAL C C 68 173.719 173.719 175.457 -1.738 19425 9699 1 12 . 1 1 68 68 VAL CA C 68 60.935 60.935 60.711 0.224 19425 9700 1 12 . 1 1 68 68 VAL CB C 68 34.522 34.522 34.573 -0.051 19425 9701 1 12 . 1 1 68 68 VAL H H 68 9.968 9.968 8.627 1.341 19425 9702 1 12 . 1 1 69 69 LEU N N 69 127.011 127.011 128.575 -1.564 19425 9703 1 12 . 1 1 69 69 LEU C C 69 177.152 177.152 177.901 -0.749 19425 9704 1 12 . 1 1 69 69 LEU CA C 69 53.083 53.083 54.489 -1.407 19425 9705 1 12 . 1 1 69 69 LEU CB C 69 39.652 39.652 39.425 0.227 19425 9706 1 12 . 1 1 69 69 LEU H H 69 8.135 8.135 8.661 -0.526 19425 9707 1 12 . 1 1 70 70 GLU N N 70 129.683 129.683 121.738 7.945 19425 9708 1 12 . 1 1 70 70 GLU C C 70 174.869 174.869 176.841 -1.972 19425 9709 1 12 . 1 1 70 70 GLU CA C 70 59.747 59.747 59.120 0.627 19425 9710 1 12 . 1 1 70 70 GLU CB C 70 31.291 31.291 29.911 1.380 19425 9711 1 12 . 1 1 70 70 GLU H H 70 8.654 8.654 8.350 0.304 19425 9712 1 12 . 1 1 71 71 GLN N N 71 110.287 110.287 117.584 -7.297 19425 9713 1 12 . 1 1 71 71 GLN C C 71 176.094 176.094 174.918 1.176 19425 9714 1 12 . 1 1 71 71 GLN CA C 71 54.030 54.030 54.574 -0.544 19425 9715 1 12 . 1 1 71 71 GLN CB C 71 33.112 33.112 32.758 0.354 19425 9716 1 12 . 1 1 71 71 GLN H H 71 7.318 7.318 7.658 -0.340 19425 9717 1 12 . 1 1 72 72 SER N N 72 116.205 116.205 116.293 -0.088 19425 9718 1 12 . 1 1 72 72 SER C C 72 174.035 174.035 173.500 0.535 19425 9719 1 12 . 1 1 72 72 SER CA C 72 58.132 58.132 58.822 -0.690 19425 9720 1 12 . 1 1 72 72 SER CB C 72 64.295 64.295 63.911 0.384 19425 9721 1 12 . 1 1 72 72 SER H H 72 8.380 8.380 8.798 -0.418 19425 9722 1 12 . 1 1 73 73 LEU N N 73 127.858 127.858 124.309 3.549 19425 9723 1 12 . 1 1 73 73 LEU C C 73 173.701 173.701 175.650 -1.949 19425 9724 1 12 . 1 1 73 73 LEU CA C 73 53.347 53.347 53.433 -0.086 19425 9725 1 12 . 1 1 73 73 LEU CB C 73 45.926 45.926 45.108 0.818 19425 9726 1 12 . 1 1 73 73 LEU H H 73 9.532 9.532 8.822 0.710 19425 9727 1 12 . 1 1 74 74 SER N N 74 115.724 115.724 114.463 1.261 19425 9728 1 12 . 1 1 74 74 SER C C 74 177.541 177.541 175.826 1.715 19425 9729 1 12 . 1 1 74 74 SER CA C 74 57.905 57.905 57.594 0.311 19425 9730 1 12 . 1 1 74 74 SER CB C 74 63.901 63.901 63.517 0.383 19425 9731 1 12 . 1 1 74 74 SER H H 74 8.240 8.240 8.110 0.130 19425 9732 1 12 . 1 1 75 75 VAL N N 75 122.994 122.994 127.918 -4.924 19425 9733 1 12 . 1 1 75 75 VAL C C 75 174.610 174.610 177.266 -2.656 19425 9734 1 12 . 1 1 75 75 VAL CA C 75 67.104 67.104 67.170 -0.066 19425 9735 1 12 . 1 1 75 75 VAL CB C 75 30.953 30.953 31.518 -0.565 19425 9736 1 12 . 1 1 75 75 VAL H H 75 9.056 9.056 8.949 0.107 19425 9737 1 12 . 1 1 76 76 ARG N N 76 119.193 119.193 120.088 -0.895 19425 9738 1 12 . 1 1 76 76 ARG C C 76 178.228 178.228 178.082 0.146 19425 9739 1 12 . 1 1 76 76 ARG CA C 76 59.087 59.087 60.012 -0.925 19425 9740 1 12 . 1 1 76 76 ARG CB C 76 29.280 29.280 29.919 -0.639 19425 9741 1 12 . 1 1 76 76 ARG H H 76 8.137 8.137 7.650 0.487 19425 9742 1 12 . 1 1 77 77 ALA N N 77 122.977 122.977 120.376 2.601 19425 9743 1 12 . 1 1 77 77 ALA C C 77 178.506 178.506 179.622 -1.116 19425 9744 1 12 . 1 1 77 77 ALA CA C 77 54.926 54.926 54.687 0.239 19425 9745 1 12 . 1 1 77 77 ALA CB C 77 18.231 18.231 18.135 0.096 19425 9746 1 12 . 1 1 77 77 ALA H H 77 7.699 7.699 7.997 -0.298 19425 9747 1 12 . 1 1 78 78 LEU N N 78 121.115 121.115 120.275 0.840 19425 9748 1 12 . 1 1 78 78 LEU C C 78 180.640 180.640 178.437 2.203 19425 9749 1 12 . 1 1 78 78 LEU CA C 78 57.985 57.985 57.275 0.710 19425 9750 1 12 . 1 1 78 78 LEU CB C 78 40.522 40.522 41.313 -0.791 19425 9751 1 12 . 1 1 78 78 LEU H H 78 8.303 8.303 8.298 0.005 19425 9752 1 12 . 1 1 79 79 GLN N N 79 116.873 116.873 117.265 -0.392 19425 9753 1 12 . 1 1 79 79 GLN C C 79 177.875 177.875 178.353 -0.478 19425 9754 1 12 . 1 1 79 79 GLN CA C 79 59.069 59.069 59.069 0.000 19425 9755 1 12 . 1 1 79 79 GLN CB C 79 27.254 27.254 28.369 -1.115 19425 9756 1 12 . 1 1 79 79 GLN H H 79 8.390 8.390 8.245 0.145 19425 9757 1 12 . 1 1 80 80 GLU N N 80 120.455 120.455 120.853 -0.398 19425 9758 1 12 . 1 1 80 80 GLU C C 80 179.749 179.749 178.739 1.010 19425 9759 1 12 . 1 1 80 80 GLU CA C 80 59.413 59.413 59.284 0.129 19425 9760 1 12 . 1 1 80 80 GLU CB C 80 29.142 29.142 29.471 -0.329 19425 9761 1 12 . 1 1 80 80 GLU H H 80 7.942 7.942 7.942 0.000 19425 9762 1 12 . 1 1 81 81 MET N N 81 120.541 120.541 118.357 2.184 19425 9763 1 12 . 1 1 81 81 MET C C 81 178.599 178.599 178.635 -0.036 19425 9764 1 12 . 1 1 81 81 MET CA C 81 59.665 59.665 59.458 0.207 19425 9765 1 12 . 1 1 81 81 MET CB C 81 32.534 32.534 32.792 -0.258 19425 9766 1 12 . 1 1 81 81 MET H H 81 7.870 7.870 7.991 -0.121 19425 9767 1 12 . 1 1 82 82 LEU N N 82 119.662 119.662 118.565 1.097 19425 9768 1 12 . 1 1 82 82 LEU C C 82 179.638 179.638 179.538 0.100 19425 9769 1 12 . 1 1 82 82 LEU CA C 82 57.669 57.669 57.108 0.561 19425 9770 1 12 . 1 1 82 82 LEU CB C 82 40.783 40.783 41.670 -0.888 19425 9771 1 12 . 1 1 82 82 LEU H H 82 8.488 8.488 7.903 0.585 19425 9772 1 12 . 1 1 83 83 ALA N N 83 120.827 120.827 121.433 -0.606 19425 9773 1 12 . 1 1 83 83 ALA C C 83 179.323 179.323 179.558 -0.235 19425 9774 1 12 . 1 1 83 83 ALA CA C 83 54.073 54.073 54.681 -0.608 19425 9775 1 12 . 1 1 83 83 ALA CB C 83 18.326 18.326 18.480 -0.154 19425 9776 1 12 . 1 1 83 83 ALA H H 83 7.704 7.704 8.099 -0.395 19425 9777 1 12 . 1 1 84 84 ASN N N 84 115.853 115.853 115.041 0.812 19425 9778 1 12 . 1 1 84 84 ASN C C 84 178.944 178.944 175.770 3.174 19425 9779 1 12 . 1 1 84 84 ASN CA C 84 54.167 54.167 55.122 -0.955 19425 9780 1 12 . 1 1 84 84 ASN CB C 84 39.465 39.465 38.512 0.953 19425 9781 1 12 . 1 1 84 84 ASN H H 84 7.729 7.729 8.038 -0.309 19425 9782 1 12 . 1 1 85 85 THR N N 85 112.611 112.611 109.703 2.908 19425 9783 1 12 . 1 1 85 85 THR C C 85 175.569 175.569 175.430 0.139 19425 9784 1 12 . 1 1 85 85 THR CA C 85 63.086 63.086 63.184 -0.098 19425 9785 1 12 . 1 1 85 85 THR CB C 85 70.071 70.071 68.592 1.479 19425 9786 1 12 . 1 1 85 85 THR H H 85 7.698 7.698 7.255 0.443 19425 9787 1 12 . 1 1 86 86 VAL N N 86 121.812 121.812 121.216 0.596 19425 9788 1 12 . 1 1 86 86 VAL C C 86 174.573 174.573 176.742 -2.169 19425 9789 1 12 . 1 1 86 86 VAL CA C 86 62.811 62.811 64.405 -1.594 19425 9790 1 12 . 1 1 86 86 VAL CB C 86 32.730 32.730 31.807 0.923 19425 9791 1 12 . 1 1 86 86 VAL H H 86 7.874 7.874 7.409 0.465 19425 9792 1 12 . 1 1 87 87 GLU N N 87 124.330 124.330 119.930 4.400 19425 9793 1 12 . 1 1 87 87 GLU C C 87 176.280 176.280 176.725 -0.445 19425 9794 1 12 . 1 1 87 87 GLU CA C 87 56.877 56.877 55.339 1.538 19425 9795 1 12 . 1 1 87 87 GLU CB C 87 29.852 29.852 30.365 -0.513 19425 9796 1 12 . 1 1 87 87 GLU H H 87 8.403 8.403 7.877 0.526 19425 9797 1 12 . 1 1 88 88 LYS N N 88 122.065 122.065 119.571 2.494 19425 9798 1 12 . 1 1 88 88 LYS C C 88 176.966 176.966 177.080 -0.114 19425 9799 1 12 . 1 1 88 88 LYS CA C 88 56.799 56.799 57.778 -0.979 19425 9800 1 12 . 1 1 88 88 LYS CB C 88 32.597 32.597 32.304 0.293 19425 9801 1 12 . 1 1 88 88 LYS H H 88 8.330 8.330 8.460 -0.130 19425 9802 1 12 . 1 1 89 89 SER N N 89 116.192 116.192 112.553 3.639 19425 9803 1 12 . 1 1 89 89 SER C C 89 176.865 176.865 173.144 3.721 19425 9804 1 12 . 1 1 89 89 SER CA C 89 59.008 59.008 58.249 0.759 19425 9805 1 12 . 1 1 89 89 SER CB C 89 63.765 63.765 63.387 0.378 19425 9806 1 12 . 1 1 89 89 SER H H 89 8.247 8.247 8.461 -0.214 19425 9807 1 12 . 1 1 90 90 GLU N N 90 122.006 122.006 127.032 -5.026 19425 9808 1 12 . 1 1 90 90 GLU C C 90 174.702 174.702 177.698 -2.996 19425 9809 1 12 . 1 1 90 90 GLU CA C 90 57.231 57.231 55.885 1.346 19425 9810 1 12 . 1 1 90 90 GLU CB C 90 29.442 29.442 29.341 0.101 19425 9811 1 12 . 1 1 90 90 GLU H H 90 8.560 8.560 8.468 0.092 19425 9812 1 12 . 1 1 91 91 GLY N N 91 110.052 110.052 112.968 -2.916 19425 9813 1 12 . 1 1 91 91 GLY C C 91 177.170 177.170 173.549 3.621 19425 9814 1 12 . 1 1 91 91 GLY CA C 91 45.634 45.634 45.456 0.178 19425 9815 1 12 . 1 1 91 91 GLY H H 91 8.358 8.358 8.740 -0.382 19425 9816 1 12 . 1 1 92 92 GLN N N 92 120.053 120.053 119.006 1.047 19425 9817 1 12 . 1 1 92 92 GLN C C 92 173.905 173.905 173.823 0.082 19425 9818 1 12 . 1 1 92 92 GLN CA C 92 55.261 55.261 54.963 0.298 19425 9819 1 12 . 1 1 92 92 GLN CB C 92 29.573 29.573 29.711 -0.138 19425 9820 1 12 . 1 1 92 92 GLN H H 92 8.075 8.075 7.913 0.162 19425 9821 1 12 . 1 1 93 93 VAL N N 93 123.434 123.434 122.688 0.746 19425 9822 1 12 . 1 1 93 93 VAL C C 93 175.667 175.667 174.316 1.351 19425 9823 1 12 . 1 1 93 93 VAL CA C 93 62.914 62.914 62.847 0.067 19425 9824 1 12 . 1 1 93 93 VAL CB C 93 32.629 32.629 33.809 -1.180 19425 9825 1 12 . 1 1 93 93 VAL H H 93 8.370 8.370 8.454 -0.084 19425 9826 1 12 . 1 1 94 94 ASP N N 94 125.761 125.761 122.332 3.429 19425 9827 1 12 . 1 1 94 94 ASP C C 94 175.704 175.704 175.705 -0.001 19425 9828 1 12 . 1 1 94 94 ASP CA C 94 53.743 53.743 53.592 0.151 19425 9829 1 12 . 1 1 94 94 ASP CB C 94 40.771 40.771 40.654 0.117 19425 9830 1 12 . 1 1 94 94 ASP H H 94 8.550 8.550 7.907 0.643 19425 9831 1 12 . 1 1 95 95 VAL N N 95 125.064 125.064 123.791 1.273 19425 9832 1 12 . 1 1 95 95 VAL C C 95 176.465 176.465 176.041 0.424 19425 9833 1 12 . 1 1 95 95 VAL CA C 95 65.487 65.487 63.435 2.052 19425 9834 1 12 . 1 1 95 95 VAL CB C 95 31.773 31.773 32.146 -0.373 19425 9835 1 12 . 1 1 95 95 VAL H H 95 8.300 8.300 8.607 -0.307 19425 9836 1 12 . 1 1 96 96 GLU N N 96 120.880 120.880 120.369 0.511 19425 9837 1 12 . 1 1 96 96 GLU C C 96 177.523 177.523 177.113 0.410 19425 9838 1 12 . 1 1 96 96 GLU CA C 96 59.157 59.157 58.871 0.286 19425 9839 1 12 . 1 1 96 96 GLU CB C 96 28.575 28.575 29.097 -0.522 19425 9840 1 12 . 1 1 96 96 GLU H H 96 8.297 8.297 8.431 -0.134 19425 9841 1 12 . 1 1 97 97 LYS N N 97 121.943 121.943 118.256 3.687 19425 9842 1 12 . 1 1 97 97 LYS C C 97 179.434 179.434 178.889 0.545 19425 9843 1 12 . 1 1 97 97 LYS CA C 97 59.186 59.186 58.111 1.075 19425 9844 1 12 . 1 1 97 97 LYS CB C 97 32.036 32.036 32.843 -0.807 19425 9845 1 12 . 1 1 97 97 LYS H H 97 7.979 7.979 7.513 0.466 19425 9846 1 12 . 1 1 98 98 TRP N N 98 121.420 121.420 118.324 3.096 19425 9847 1 12 . 1 1 98 98 TRP C C 98 178.673 178.673 177.611 1.062 19425 9848 1 12 . 1 1 98 98 TRP CA C 98 60.176 60.176 58.680 1.496 19425 9849 1 12 . 1 1 98 98 TRP CB C 98 29.340 29.340 28.526 0.814 19425 9850 1 12 . 1 1 98 98 TRP H H 98 8.202 8.202 7.787 0.415 19425 9851 1 12 . 1 1 99 99 LYS N N 99 118.236 118.236 121.037 -2.801 19425 9852 1 12 . 1 1 99 99 LYS C C 99 177.374 177.374 178.112 -0.738 19425 9853 1 12 . 1 1 99 99 LYS CA C 99 59.812 59.812 59.590 0.222 19425 9854 1 12 . 1 1 99 99 LYS CB C 99 32.042 32.042 31.767 0.275 19425 9855 1 12 . 1 1 99 99 LYS H H 99 8.346 8.346 7.815 0.531 19425 9856 1 12 . 1 1 100 100 PHE N N 100 120.365 120.365 118.440 1.925 19425 9857 1 12 . 1 1 100 100 PHE C C 100 179.193 179.193 177.614 1.579 19425 9858 1 12 . 1 1 100 100 PHE CA C 100 60.902 60.902 60.932 -0.030 19425 9859 1 12 . 1 1 100 100 PHE CB C 100 38.875 38.875 39.080 -0.205 19425 9860 1 12 . 1 1 100 100 PHE H H 100 7.916 7.916 8.124 -0.208 19425 9861 1 12 . 1 1 101 101 MET N N 101 121.837 121.837 121.294 0.543 19425 9862 1 12 . 1 1 101 101 MET C C 101 178.172 178.172 178.191 -0.019 19425 9863 1 12 . 1 1 101 101 MET CA C 101 58.625 58.625 59.283 -0.658 19425 9864 1 12 . 1 1 101 101 MET CB C 101 32.081 32.081 32.789 -0.708 19425 9865 1 12 . 1 1 101 101 MET H H 101 8.393 8.393 8.012 0.381 19425 9866 1 12 . 1 1 102 102 MET N N 102 119.901 119.901 118.595 1.306 19425 9867 1 12 . 1 1 102 102 MET C C 102 178.655 178.655 177.769 0.886 19425 9868 1 12 . 1 1 102 102 MET CA C 102 57.867 57.867 59.159 -1.292 19425 9869 1 12 . 1 1 102 102 MET CB C 102 32.414 32.414 32.590 -0.176 19425 9870 1 12 . 1 1 102 102 MET H H 102 8.174 8.174 8.492 -0.318 19425 9871 1 12 . 1 1 103 103 LYS N N 103 120.555 120.555 119.274 1.281 19425 9872 1 12 . 1 1 103 103 LYS C C 103 177.857 177.857 179.020 -1.163 19425 9873 1 12 . 1 1 103 103 LYS CA C 103 58.592 58.592 59.772 -1.180 19425 9874 1 12 . 1 1 103 103 LYS CB C 103 31.816 31.816 32.166 -0.350 19425 9875 1 12 . 1 1 103 103 LYS H H 103 7.899 7.899 7.957 -0.058 19425 9876 1 12 . 1 1 104 104 THR N N 104 115.450 115.450 112.483 2.967 19425 9877 1 12 . 1 1 104 104 THR C C 104 179.267 179.267 176.387 2.880 19425 9878 1 12 . 1 1 104 104 THR CA C 104 64.914 64.914 65.566 -0.652 19425 9879 1 12 . 1 1 104 104 THR CB C 104 69.103 69.103 68.395 0.708 19425 9880 1 12 . 1 1 104 104 THR H H 104 7.895 7.895 8.139 -0.244 19425 9881 1 12 . 1 1 105 105 ALA N N 105 124.862 124.862 123.992 0.870 19425 9882 1 12 . 1 1 105 105 ALA C C 105 176.057 176.057 179.594 -3.537 19425 9883 1 12 . 1 1 105 105 ALA CA C 105 54.106 54.106 54.501 -0.395 19425 9884 1 12 . 1 1 105 105 ALA CB C 105 18.493 18.493 18.118 0.375 19425 9885 1 12 . 1 1 105 105 ALA H H 105 7.896 7.896 7.890 0.006 19425 9886 1 12 . 1 1 106 106 GLN N N 106 117.285 117.285 117.310 -0.025 19425 9887 1 12 . 1 1 106 106 GLN C C 106 178.655 178.655 177.042 1.613 19425 9888 1 12 . 1 1 106 106 GLN CA C 106 56.913 56.913 57.058 -0.145 19425 9889 1 12 . 1 1 106 106 GLN CB C 106 29.148 29.148 30.283 -1.135 19425 9890 1 12 . 1 1 106 106 GLN H H 106 7.944 7.944 7.923 0.021 19425 9891 1 12 . 1 1 107 107 GLY N N 107 107.494 107.494 105.334 2.160 19425 9892 1 12 . 1 1 107 107 GLY C C 107 177.597 177.597 173.990 3.607 19425 9893 1 12 . 1 1 107 107 GLY CA C 107 45.975 45.975 44.974 1.001 19425 9894 1 12 . 1 1 107 107 GLY H H 107 7.852 7.852 7.863 -0.011 19425 9895 1 12 . 1 1 108 108 GLY N N 108 109.642 109.642 110.211 -0.569 19425 9896 1 12 . 1 1 108 108 GLY C C 108 174.740 174.740 175.015 -0.275 19425 9897 1 12 . 1 1 108 108 GLY CA C 108 45.151 45.151 45.940 -0.789 19425 9898 1 12 . 1 1 108 108 GLY H H 108 8.313 8.313 8.266 0.047 19425 9899 1 12 . 1 1 109 109 GLY N N 109 108.058 108.058 106.698 1.360 19425 9900 1 12 . 1 1 109 109 GLY C C 109 174.313 174.313 173.753 0.560 19425 9901 1 12 . 1 1 109 109 GLY CA C 109 44.659 44.659 43.984 0.675 19425 9902 1 12 . 1 1 109 109 GLY H H 109 8.059 8.059 8.033 0.026 19425 9903 1 12 . 1 1 110 110 HIS N N 110 118.432 118.432 118.181 0.251 19425 9904 1 12 . 1 1 110 110 HIS C C 110 173.348 173.348 175.206 -1.858 19425 9905 1 12 . 1 1 110 110 HIS CA C 110 55.590 55.590 56.208 -0.618 19425 9906 1 12 . 1 1 110 110 HIS CB C 110 28.502 28.502 31.162 -2.660 19425 9907 1 12 . 1 1 110 110 HIS H H 110 8.261 8.261 8.231 0.030 19425 9908 1 12 . 1 1 111 111 ARG N N 111 122.052 122.052 119.580 2.472 19425 9909 1 12 . 1 1 111 111 ARG C C 111 174.908 174.908 175.385 -0.477 19425 9910 1 12 . 1 1 111 111 ARG CA C 111 55.233 55.233 55.088 0.145 19425 9911 1 12 . 1 1 111 111 ARG CB C 111 31.125 31.125 33.060 -1.935 19425 9912 1 12 . 1 1 111 111 ARG H H 111 8.597 8.597 9.046 -0.449 19425 9913 1 12 . 1 1 112 112 THR N N 112 120.248 120.248 117.913 2.335 19425 9914 1 12 . 1 1 112 112 THR C C 112 176.447 176.447 174.612 1.835 19425 9915 1 12 . 1 1 112 112 THR CA C 112 63.723 63.723 62.998 0.725 19425 9916 1 12 . 1 1 112 112 THR CB C 112 68.984 68.984 69.507 -0.523 19425 9917 1 12 . 1 1 112 112 THR H H 112 8.577 8.577 8.437 0.140 19425 9918 1 12 . 1 1 113 113 LEU N N 113 130.382 130.382 126.609 3.773 19425 9919 1 12 . 1 1 113 113 LEU C C 113 174.294 174.294 175.305 -1.011 19425 9920 1 12 . 1 1 113 113 LEU CA C 113 56.791 56.791 54.638 2.153 19425 9921 1 12 . 1 1 113 113 LEU CB C 113 41.705 41.705 42.608 -0.903 19425 9922 1 12 . 1 1 113 113 LEU H H 113 8.515 8.515 8.835 -0.320 19425 9923 1 12 . 1 1 114 114 LEU N N 114 118.829 118.829 122.234 -3.405 19425 9924 1 12 . 1 1 114 114 LEU C C 114 175.278 175.278 176.755 -1.477 19425 9925 1 12 . 1 1 114 114 LEU CA C 114 51.667 51.667 52.596 -0.929 19425 9926 1 12 . 1 1 114 114 LEU CB C 114 42.454 42.454 44.391 -1.937 19425 9927 1 12 . 1 1 114 114 LEU H H 114 6.454 6.454 8.040 -1.586 19425 9928 1 12 . 1 1 115 115 TYR N N 115 119.059 119.059 121.337 -2.278 19425 9929 1 12 . 1 1 115 115 TYR C C 115 177.152 177.152 177.413 -0.261 19425 9930 1 12 . 1 1 115 115 TYR CA C 115 62.452 62.452 60.620 1.832 19425 9931 1 12 . 1 1 115 115 TYR CB C 115 38.058 38.058 38.041 0.016 19425 9932 1 12 . 1 1 115 115 TYR H H 115 8.797 8.797 8.707 0.090 19425 9933 1 12 . 1 1 116 116 GLY N N 116 115.795 115.795 113.227 2.568 19425 9934 1 12 . 1 1 116 116 GLY C C 116 178.061 178.061 174.014 4.047 19425 9935 1 12 . 1 1 116 116 GLY CA C 116 45.100 45.100 45.105 -0.005 19425 9936 1 12 . 1 1 116 116 GLY H H 116 9.672 9.672 9.162 0.510 19425 9937 1 12 . 1 1 117 117 HIS N N 117 122.193 122.193 121.727 0.466 19425 9938 1 12 . 1 1 117 117 HIS C C 117 175.463 175.463 173.843 1.620 19425 9939 1 12 . 1 1 117 117 HIS CA C 117 56.119 56.119 55.930 0.189 19425 9940 1 12 . 1 1 117 117 HIS CB C 117 32.293 32.293 30.238 2.055 19425 9941 1 12 . 1 1 117 117 HIS H H 117 8.113 8.113 7.776 0.337 19425 9942 1 12 . 1 1 118 118 ALA N N 118 120.893 120.893 126.499 -5.606 19425 9943 1 12 . 1 1 118 118 ALA C C 118 173.775 173.775 176.139 -2.364 19425 9944 1 12 . 1 1 118 118 ALA CA C 118 50.378 50.378 51.397 -1.019 19425 9945 1 12 . 1 1 118 118 ALA CB C 118 21.646 21.646 19.598 2.048 19425 9946 1 12 . 1 1 118 118 ALA H H 118 9.458 9.458 8.946 0.512 19425 9947 1 12 . 1 1 120 120 LEU N N 120 119.631 119.631 123.633 -4.002 19425 9948 1 12 . 1 1 120 120 LEU C C 120 173.367 173.367 174.724 -1.357 19425 9949 1 12 . 1 1 120 120 LEU CA C 120 56.217 56.217 52.929 3.288 19425 9950 1 12 . 1 1 120 120 LEU CB C 120 39.519 39.519 44.196 -4.677 19425 9951 1 12 . 1 1 120 120 LEU H H 120 8.746 8.746 8.185 0.561 19425 9952 1 12 . 1 1 121 121 LEU N N 121 118.900 118.900 126.938 -8.038 19425 9953 1 12 . 1 1 121 121 LEU C C 121 171.400 171.400 175.758 -4.358 19425 9954 1 12 . 1 1 121 121 LEU CA C 121 52.852 52.852 53.705 -0.853 19425 9955 1 12 . 1 1 121 121 LEU CB C 121 43.452 43.452 42.879 0.573 19425 9956 1 12 . 1 1 121 121 LEU H H 121 8.590 8.590 8.663 -0.073 19425 9957 1 12 . 1 1 122 122 ARG N N 122 123.588 123.588 124.927 -1.339 19425 9958 1 12 . 1 1 122 122 ARG C C 122 176.465 176.465 175.475 0.990 19425 9959 1 12 . 1 1 122 122 ARG CA C 122 54.403 54.403 53.984 0.419 19425 9960 1 12 . 1 1 122 122 ARG CB C 122 32.897 32.897 31.719 1.178 19425 9961 1 12 . 1 1 122 122 ARG H H 122 9.077 9.077 8.806 0.271 19425 9962 1 12 . 1 1 123 123 HIS N N 123 131.440 131.440 127.621 3.819 19425 9963 1 12 . 1 1 123 123 HIS C C 123 175.704 175.704 175.552 0.152 19425 9964 1 12 . 1 1 123 123 HIS CA C 123 56.637 56.637 56.809 -0.172 19425 9965 1 12 . 1 1 123 123 HIS CB C 123 31.261 31.261 30.137 1.125 19425 9966 1 12 . 1 1 123 123 HIS H H 123 9.622 9.622 8.490 1.132 19425 9967 1 12 . 1 1 124 124 SER N N 124 127.024 127.024 125.330 1.694 19425 9968 1 12 . 1 1 124 124 SER C C 124 175.686 175.686 175.925 -0.239 19425 9969 1 12 . 1 1 124 124 SER CA C 124 62.010 62.010 62.356 -0.346 19425 9970 1 12 . 1 1 124 124 SER CB C 124 62.912 62.912 62.928 -0.016 19425 9971 1 12 . 1 1 124 124 SER H H 124 7.840 7.840 7.924 -0.084 19425 9972 1 12 . 1 1 125 125 TYR N N 125 119.708 119.708 120.288 -0.580 19425 9973 1 12 . 1 1 125 125 TYR C C 125 180.696 180.696 176.638 4.058 19425 9974 1 12 . 1 1 125 125 TYR CA C 125 60.903 60.903 60.729 0.174 19425 9975 1 12 . 1 1 125 125 TYR CB C 125 38.744 38.744 38.595 0.149 19425 9976 1 12 . 1 1 125 125 TYR H H 125 8.746 8.746 7.473 1.273 19425 9977 1 12 . 1 1 126 126 SER N N 126 110.333 110.333 113.295 -2.962 19425 9978 1 12 . 1 1 126 126 SER C C 126 176.543 176.543 176.206 0.337 19425 9979 1 12 . 1 1 126 126 SER CA C 126 59.366 59.366 59.923 -0.557 19425 9980 1 12 . 1 1 126 126 SER CB C 126 65.282 65.282 64.533 0.749 19425 9981 1 12 . 1 1 126 126 SER H H 126 7.004 7.004 8.142 -1.138 19425 9982 1 12 . 1 1 127 127 GLY N N 127 113.322 113.322 110.314 3.008 19425 9983 1 12 . 1 1 127 127 GLY C C 127 176.428 176.428 174.000 2.428 19425 9984 1 12 . 1 1 127 127 GLY CA C 127 46.064 46.064 45.324 0.740 19425 9985 1 12 . 1 1 127 127 GLY H H 127 8.181 8.181 8.453 -0.272 19425 9986 1 12 . 1 1 128 128 MET N N 128 118.598 118.598 118.824 -0.226 19425 9987 1 12 . 1 1 128 128 MET C C 128 173.200 173.200 174.852 -1.652 19425 9988 1 12 . 1 1 128 128 MET CA C 128 55.429 55.429 56.465 -1.036 19425 9989 1 12 . 1 1 128 128 MET CB C 128 35.988 35.988 34.226 1.762 19425 9990 1 12 . 1 1 128 128 MET H H 128 7.551 7.551 7.580 -0.029 19425 9991 1 12 . 1 1 129 129 TYR N N 129 116.715 116.715 114.449 2.266 19425 9992 1 12 . 1 1 129 129 TYR C C 129 172.884 172.884 175.881 -2.997 19425 9993 1 12 . 1 1 129 129 TYR CA C 129 58.658 58.658 57.145 1.513 19425 9994 1 12 . 1 1 129 129 TYR CB C 129 40.914 40.914 41.181 -0.267 19425 9995 1 12 . 1 1 129 129 TYR H H 129 8.923 8.923 8.580 0.343 19425 9996 1 12 . 1 1 130 130 LEU N N 130 123.061 123.061 124.450 -1.389 19425 9997 1 12 . 1 1 130 130 LEU C C 130 176.677 176.677 176.429 0.248 19425 9998 1 12 . 1 1 130 130 LEU CA C 130 56.311 56.311 56.308 0.003 19425 9999 1 12 . 1 1 130 130 LEU CB C 130 42.909 42.909 42.449 0.460 19425 10000 1 12 . 1 1 130 130 LEU H H 130 8.236 8.236 8.933 -0.697 19425 10001 1 12 . 1 1 131 131 CYS N N 131 126.618 126.618 127.154 -0.536 19425 10002 1 12 . 1 1 131 131 CYS C C 131 177.616 177.616 173.112 4.504 19425 10003 1 12 . 1 1 131 131 CYS CA C 131 57.028 57.028 56.689 0.339 19425 10004 1 12 . 1 1 131 131 CYS CB C 131 32.339 32.339 31.157 1.182 19425 10005 1 12 . 1 1 131 131 CYS H H 131 9.516 9.516 9.494 0.022 19425 10006 1 12 . 1 1 132 132 CYS N N 132 124.860 124.860 126.798 -1.938 19425 10007 1 12 . 1 1 132 132 CYS C C 132 172.309 172.309 174.442 -2.133 19425 10008 1 12 . 1 1 132 132 CYS CA C 132 59.436 59.436 57.407 2.029 19425 10009 1 12 . 1 1 132 132 CYS CB C 132 27.383 27.383 25.755 1.628 19425 10010 1 12 . 1 1 132 132 CYS H H 132 8.142 8.142 8.292 -0.150 19425 10011 1 12 . 1 1 133 133 LEU N N 133 131.382 131.382 128.304 3.078 19425 10012 1 12 . 1 1 133 133 LEU C C 133 174.035 174.035 177.358 -3.323 19425 10013 1 12 . 1 1 133 133 LEU CA C 133 54.799 54.799 54.740 0.058 19425 10014 1 12 . 1 1 133 133 LEU CB C 133 41.109 41.109 42.450 -1.341 19425 10015 1 12 . 1 1 133 133 LEU H H 133 9.008 9.008 8.255 0.753 19425 10016 1 12 . 1 1 134 134 SER N N 134 112.103 112.103 113.627 -1.524 19425 10017 1 12 . 1 1 134 134 SER C C 134 175.519 175.519 174.334 1.185 19425 10018 1 12 . 1 1 134 134 SER CA C 134 58.320 58.320 58.084 0.236 19425 10019 1 12 . 1 1 134 134 SER CB C 134 63.979 63.979 62.891 1.088 19425 10020 1 12 . 1 1 134 134 SER H H 134 8.229 8.229 8.430 -0.201 19425 10021 1 12 . 1 1 135 135 THR N N 135 111.693 111.693 112.960 -1.267 19425 10022 1 12 . 1 1 135 135 THR C C 135 174.535 174.535 175.476 -0.941 19425 10023 1 12 . 1 1 135 135 THR CA C 135 60.703 60.703 60.560 0.143 19425 10024 1 12 . 1 1 135 135 THR CB C 135 70.624 70.624 70.590 0.034 19425 10025 1 12 . 1 1 135 135 THR H H 135 7.292 7.292 7.442 -0.150 19425 10026 1 12 . 1 1 136 136 SER N N 136 117.260 117.260 122.105 -4.845 19425 10027 1 12 . 1 1 136 136 SER C C 136 173.478 173.478 174.730 -1.252 19425 10028 1 12 . 1 1 136 136 SER CA C 136 57.537 57.537 61.521 -3.984 19425 10029 1 12 . 1 1 136 136 SER CB C 136 64.593 64.593 63.757 0.836 19425 10030 1 12 . 1 1 136 136 SER H H 136 8.544 8.544 9.138 -0.594 19425 10031 1 12 . 1 1 137 137 ARG N N 137 124.804 124.804 113.129 11.675 19425 10032 1 12 . 1 1 137 137 ARG C C 137 175.000 175.000 175.697 -0.697 19425 10033 1 12 . 1 1 137 137 ARG CA C 137 56.922 56.922 56.156 0.766 19425 10034 1 12 . 1 1 137 137 ARG CB C 137 30.733 30.733 30.522 0.211 19425 10035 1 12 . 1 1 137 137 ARG H H 137 9.231 9.231 7.963 1.268 19425 10036 1 12 . 1 1 138 138 SER N N 138 126.225 126.225 115.209 11.016 19425 10037 1 12 . 1 1 138 138 SER C C 138 175.871 175.871 174.135 1.736 19425 10038 1 12 . 1 1 138 138 SER CA C 138 61.891 61.891 58.566 3.325 19425 10039 1 12 . 1 1 138 138 SER CB C 138 62.730 62.730 63.200 -0.470 19425 10040 1 12 . 1 1 138 138 SER H H 138 7.891 7.891 8.623 -0.732 19425 10041 1 12 . 1 1 140 140 THR N N 140 114.799 114.799 118.661 -3.862 19425 10042 1 12 . 1 1 140 140 THR C C 140 173.756 173.756 174.917 -1.161 19425 10043 1 12 . 1 1 140 140 THR CA C 140 62.895 62.895 63.827 -0.932 19425 10044 1 12 . 1 1 140 140 THR CB C 140 69.332 69.332 68.960 0.372 19425 10045 1 12 . 1 1 140 140 THR H H 140 8.168 8.168 7.949 0.219 19425 10046 1 12 . 1 1 141 141 ASP N N 141 121.772 121.772 118.952 2.820 19425 10047 1 12 . 1 1 141 141 ASP C C 141 174.795 174.795 175.325 -0.530 19425 10048 1 12 . 1 1 141 141 ASP CA C 141 54.001 54.001 53.435 0.566 19425 10049 1 12 . 1 1 141 141 ASP CB C 141 40.914 40.914 43.015 -2.101 19425 10050 1 12 . 1 1 141 141 ASP H H 141 8.049 8.049 8.096 -0.047 19425 10051 1 12 . 1 1 142 142 LYS N N 142 121.585 121.585 117.730 3.855 19425 10052 1 12 . 1 1 142 142 LYS C C 142 176.274 176.274 177.095 -0.821 19425 10053 1 12 . 1 1 142 142 LYS CA C 142 57.106 57.106 56.151 0.954 19425 10054 1 12 . 1 1 142 142 LYS CB C 142 31.369 31.369 33.947 -2.578 19425 10055 1 12 . 1 1 142 142 LYS H H 142 8.376 8.376 8.278 0.098 19425 10056 1 12 . 1 1 143 143 LEU N N 143 119.604 119.604 121.482 -1.878 19425 10057 1 12 . 1 1 143 143 LEU C C 143 176.798 176.798 177.605 -0.807 19425 10058 1 12 . 1 1 143 143 LEU CA C 143 55.261 55.261 56.231 -0.970 19425 10059 1 12 . 1 1 143 143 LEU CB C 143 41.487 41.487 41.349 0.138 19425 10060 1 12 . 1 1 143 143 LEU H H 143 8.262 8.262 7.679 0.583 19425 10061 1 12 . 1 1 144 144 ALA N N 144 123.881 123.881 118.873 5.008 19425 10062 1 12 . 1 1 144 144 ALA C C 144 176.410 176.410 177.229 -0.819 19425 10063 1 12 . 1 1 144 144 ALA CA C 144 51.335 51.335 52.518 -1.183 19425 10064 1 12 . 1 1 144 144 ALA CB C 144 20.924 20.924 19.371 1.553 19425 10065 1 12 . 1 1 144 144 ALA H H 144 7.614 7.614 7.787 -0.173 19425 10066 1 12 . 1 1 145 145 PHE N N 145 120.083 120.083 120.015 0.068 19425 10067 1 12 . 1 1 145 145 PHE C C 145 176.948 176.948 175.750 1.198 19425 10068 1 12 . 1 1 145 145 PHE CA C 145 55.872 55.872 56.610 -0.738 19425 10069 1 12 . 1 1 145 145 PHE CB C 145 42.468 42.468 41.054 1.414 19425 10070 1 12 . 1 1 145 145 PHE H H 145 8.647 8.647 8.512 0.135 19425 10071 1 12 . 1 1 146 146 ASP N N 146 119.893 119.893 120.336 -0.443 19425 10072 1 12 . 1 1 146 146 ASP C C 146 175.519 175.519 174.478 1.041 19425 10073 1 12 . 1 1 146 146 ASP CA C 146 54.679 54.679 54.746 -0.067 19425 10074 1 12 . 1 1 146 146 ASP CB C 146 42.169 42.169 42.880 -0.711 19425 10075 1 12 . 1 1 146 146 ASP H H 146 8.692 8.692 8.930 -0.238 19425 10076 1 12 . 1 1 147 147 VAL N N 147 118.800 118.800 121.881 -3.081 19425 10077 1 12 . 1 1 147 147 VAL C C 147 174.053 174.053 175.319 -1.266 19425 10078 1 12 . 1 1 147 147 VAL CA C 147 60.671 60.671 61.253 -0.582 19425 10079 1 12 . 1 1 147 147 VAL CB C 147 35.326 35.326 32.960 2.366 19425 10080 1 12 . 1 1 147 147 VAL H H 147 8.224 8.224 8.568 -0.344 19425 10081 1 12 . 1 1 148 148 GLY N N 148 113.226 113.226 114.775 -1.549 19425 10082 1 12 . 1 1 148 148 GLY C C 148 175.141 175.141 172.129 3.012 19425 10083 1 12 . 1 1 148 148 GLY CA C 148 45.384 45.384 43.635 1.749 19425 10084 1 12 . 1 1 148 148 GLY H H 148 8.594 8.594 8.828 -0.234 19425 10085 1 12 . 1 1 149 149 LEU N N 149 120.880 120.880 119.362 1.518 19425 10086 1 12 . 1 1 149 149 LEU C C 149 170.973 170.973 175.290 -4.317 19425 10087 1 12 . 1 1 149 149 LEU CA C 149 53.299 53.299 53.663 -0.364 19425 10088 1 12 . 1 1 149 149 LEU CB C 149 43.938 43.938 45.543 -1.605 19425 10089 1 12 . 1 1 149 149 LEU H H 149 8.303 8.303 8.104 0.199 19425 10090 1 12 . 1 1 150 150 GLN N N 150 118.978 118.978 119.743 -0.765 19425 10091 1 12 . 1 1 150 150 GLN C C 150 177.133 177.133 175.867 1.266 19425 10092 1 12 . 1 1 150 150 GLN CA C 150 54.723 54.723 54.903 -0.180 19425 10093 1 12 . 1 1 150 150 GLN CB C 150 32.690 32.690 32.336 0.354 19425 10094 1 12 . 1 1 150 150 GLN H H 150 9.115 9.115 8.667 0.448 19425 10095 1 12 . 1 1 151 151 GLU N N 151 121.344 121.344 124.627 -3.283 19425 10096 1 12 . 1 1 151 151 GLU C C 151 175.333 175.333 176.074 -0.741 19425 10097 1 12 . 1 1 151 151 GLU CA C 151 59.140 59.140 58.587 0.553 19425 10098 1 12 . 1 1 151 151 GLU CB C 151 30.735 30.735 29.874 0.861 19425 10099 1 12 . 1 1 151 151 GLU H H 151 9.142 9.142 8.834 0.308 19425 10100 1 12 . 1 1 152 152 ASP N N 152 117.494 117.494 118.846 -1.352 19425 10101 1 12 . 1 1 152 152 ASP C C 152 176.391 176.391 176.394 -0.003 19425 10102 1 12 . 1 1 152 152 ASP CA C 152 54.139 54.139 54.420 -0.281 19425 10103 1 12 . 1 1 152 152 ASP CB C 152 41.920 41.920 41.629 0.291 19425 10104 1 12 . 1 1 152 152 ASP H H 152 8.023 8.023 8.129 -0.106 19425 10105 1 12 . 1 1 153 153 THR N N 153 111.969 111.969 108.840 3.129 19425 10106 1 12 . 1 1 153 153 THR C C 153 175.964 175.964 174.747 1.217 19425 10107 1 12 . 1 1 153 153 THR CA C 153 61.894 61.894 61.988 -0.094 19425 10108 1 12 . 1 1 153 153 THR CB C 153 68.903 68.903 68.978 -0.075 19425 10109 1 12 . 1 1 153 153 THR H H 153 7.985 7.985 8.100 -0.115 19425 10110 1 12 . 1 1 154 154 THR N N 154 113.978 113.978 116.151 -2.173 19425 10111 1 12 . 1 1 154 154 THR C C 154 175.000 175.000 175.222 -0.222 19425 10112 1 12 . 1 1 154 154 THR CA C 154 62.359 62.359 63.590 -1.231 19425 10113 1 12 . 1 1 154 154 THR CB C 154 69.210 69.210 68.408 0.802 19425 10114 1 12 . 1 1 154 154 THR H H 154 7.790 7.790 7.746 0.044 19425 10115 1 12 . 1 1 155 155 GLY N N 155 108.411 108.411 114.663 -6.252 19425 10116 1 12 . 1 1 155 155 GLY C C 155 174.702 174.702 172.193 2.509 19425 10117 1 12 . 1 1 155 155 GLY CA C 155 44.737 44.737 44.740 -0.003 19425 10118 1 12 . 1 1 155 155 GLY H H 155 7.639 7.639 7.791 -0.152 19425 10119 1 12 . 1 1 156 156 GLU N N 156 118.666 118.666 119.470 -0.804 19425 10120 1 12 . 1 1 156 156 GLU C C 156 173.571 173.571 177.947 -4.376 19425 10121 1 12 . 1 1 156 156 GLU CA C 156 59.352 59.352 56.891 2.461 19425 10122 1 12 . 1 1 156 156 GLU CB C 156 31.248 31.248 30.351 0.897 19425 10123 1 12 . 1 1 156 156 GLU H H 156 8.606 8.606 8.681 -0.075 19425 10124 1 12 . 1 1 157 157 ALA N N 157 118.664 118.664 123.859 -5.195 19425 10125 1 12 . 1 1 157 157 ALA C C 157 177.727 177.727 178.367 -0.640 19425 10126 1 12 . 1 1 157 157 ALA CA C 157 55.063 55.063 54.573 0.490 19425 10127 1 12 . 1 1 157 157 ALA CB C 157 18.856 18.856 18.347 0.509 19425 10128 1 12 . 1 1 157 157 ALA H H 157 8.159 8.159 8.458 -0.299 19425 10129 1 12 . 1 1 158 158 CYS N N 158 114.681 114.681 115.173 -0.492 19425 10130 1 12 . 1 1 158 158 CYS C C 158 179.972 179.972 173.273 6.699 19425 10131 1 12 . 1 1 158 158 CYS CA C 158 57.585 57.585 59.219 -1.634 19425 10132 1 12 . 1 1 158 158 CYS CB C 158 27.977 27.977 27.070 0.907 19425 10133 1 12 . 1 1 158 158 CYS H H 158 7.973 7.973 8.248 -0.275 19425 10134 1 12 . 1 1 165 165 ALA N N 165 122.416 122.416 127.840 -5.424 19425 10135 1 12 . 1 1 165 165 ALA C C 165 176.743 176.743 177.895 -1.152 19425 10136 1 12 . 1 1 165 165 ALA CA C 165 52.390 52.390 53.597 -1.207 19425 10137 1 12 . 1 1 165 165 ALA CB C 165 20.486 20.486 19.307 1.179 19425 10138 1 12 . 1 1 165 165 ALA H H 165 8.190 8.190 8.569 -0.379 19425 10139 1 12 . 1 1 166 166 SER N N 166 111.681 111.681 112.897 -1.216 19425 10140 1 12 . 1 1 166 166 SER C C 166 176.876 176.876 173.907 2.969 19425 10141 1 12 . 1 1 166 166 SER CA C 166 56.863 56.863 57.123 -0.260 19425 10142 1 12 . 1 1 166 166 SER CB C 166 65.738 65.738 64.757 0.981 19425 10143 1 12 . 1 1 166 166 SER H H 166 7.690 7.690 7.791 -0.101 19425 10144 1 12 . 1 1 167 167 LYS N N 167 121.655 121.655 117.885 3.770 19425 10145 1 12 . 1 1 167 167 LYS C C 167 175.241 175.241 176.769 -1.528 19425 10146 1 12 . 1 1 167 167 LYS CA C 167 55.297 55.297 56.984 -1.687 19425 10147 1 12 . 1 1 167 167 LYS CB C 167 31.364 31.364 32.345 -0.981 19425 10148 1 12 . 1 1 167 167 LYS H H 167 8.230 8.230 8.395 -0.165 19425 10149 1 12 . 1 1 168 168 GLN N N 168 117.832 117.832 118.330 -0.498 19425 10150 1 12 . 1 1 168 168 GLN C C 168 176.836 176.836 175.711 1.125 19425 10151 1 12 . 1 1 168 168 GLN CA C 168 57.366 57.366 56.407 0.959 19425 10152 1 12 . 1 1 168 168 GLN CB C 168 28.979 28.979 28.976 0.003 19425 10153 1 12 . 1 1 168 168 GLN H H 168 8.134 8.134 8.178 -0.044 19425 10154 1 12 . 1 1 169 169 ARG N N 169 117.052 117.052 119.215 -2.163 19425 10155 1 12 . 1 1 169 169 ARG C C 169 175.946 175.946 175.453 0.493 19425 10156 1 12 . 1 1 169 169 ARG CA C 169 52.885 52.885 55.079 -2.194 19425 10157 1 12 . 1 1 169 169 ARG CB C 169 32.795 32.795 30.612 2.183 19425 10158 1 12 . 1 1 169 169 ARG H H 169 7.209 7.209 7.892 -0.683 19425 10159 1 12 . 1 1 170 170 SER N N 170 114.335 114.335 114.130 0.205 19425 10160 1 12 . 1 1 170 170 SER C C 170 174.387 174.387 173.586 0.801 19425 10161 1 12 . 1 1 170 170 SER CA C 170 56.976 56.976 56.461 0.515 19425 10162 1 12 . 1 1 170 170 SER CB C 170 66.348 66.348 65.427 0.921 19425 10163 1 12 . 1 1 170 170 SER H H 170 8.279 8.279 8.424 -0.145 19425 10164 1 12 . 1 1 171 171 GLU N N 171 121.428 121.428 122.813 -1.385 19425 10165 1 12 . 1 1 171 171 GLU C C 171 173.293 173.293 176.992 -3.699 19425 10166 1 12 . 1 1 171 171 GLU CA C 171 58.658 58.658 57.245 1.413 19425 10167 1 12 . 1 1 171 171 GLU CB C 171 28.693 28.693 28.615 0.078 19425 10168 1 12 . 1 1 171 171 GLU H H 171 8.540 8.540 8.620 -0.080 19425 10169 1 12 . 1 1 172 172 GLY N N 172 113.162 113.162 114.564 -1.402 19425 10170 1 12 . 1 1 172 172 GLY C C 172 177.504 177.504 174.376 3.128 19425 10171 1 12 . 1 1 172 172 GLY CA C 172 45.452 45.452 44.939 0.513 19425 10172 1 12 . 1 1 172 172 GLY H H 172 8.676 8.676 9.003 -0.327 19425 10173 1 12 . 1 1 173 173 GLU N N 173 119.545 119.545 121.091 -1.546 19425 10174 1 12 . 1 1 173 173 GLU C C 173 173.311 173.311 176.053 -2.742 19425 10175 1 12 . 1 1 173 173 GLU CA C 173 55.689 55.689 56.166 -0.477 19425 10176 1 12 . 1 1 173 173 GLU CB C 173 31.204 31.204 30.977 0.227 19425 10177 1 12 . 1 1 173 173 GLU H H 173 7.805 7.805 7.807 -0.002 19425 10178 1 12 . 1 1 174 174 LYS N N 174 120.834 120.834 120.897 -0.063 19425 10179 1 12 . 1 1 174 174 LYS C C 174 175.352 175.352 176.589 -1.237 19425 10180 1 12 . 1 1 174 174 LYS CA C 174 57.207 57.207 56.899 0.308 19425 10181 1 12 . 1 1 174 174 LYS CB C 174 34.185 34.185 32.832 1.353 19425 10182 1 12 . 1 1 174 174 LYS H H 174 8.215 8.215 8.459 -0.244 19425 10183 1 12 . 1 1 175 175 VAL N N 175 122.529 122.529 123.878 -1.349 19425 10184 1 12 . 1 1 175 175 VAL C C 175 176.595 176.595 175.375 1.220 19425 10185 1 12 . 1 1 175 175 VAL CA C 175 63.046 63.046 61.909 1.137 19425 10186 1 12 . 1 1 175 175 VAL CB C 175 31.265 31.265 31.638 -0.373 19425 10187 1 12 . 1 1 175 175 VAL H H 175 7.914 7.914 8.594 -0.680 19425 10188 1 12 . 1 1 176 176 ARG N N 176 127.622 127.622 127.500 0.122 19425 10189 1 12 . 1 1 176 176 ARG C C 176 175.742 175.742 176.881 -1.139 19425 10190 1 12 . 1 1 176 176 ARG CA C 176 55.767 55.767 54.746 1.021 19425 10191 1 12 . 1 1 176 176 ARG CB C 176 30.480 30.480 31.386 -0.906 19425 10192 1 12 . 1 1 176 176 ARG H H 176 7.570 7.570 8.289 -0.719 19425 10193 1 12 . 1 1 177 177 VAL N N 177 122.521 122.521 122.762 -0.241 19425 10194 1 12 . 1 1 177 177 VAL C C 177 177.523 177.523 177.404 0.119 19425 10195 1 12 . 1 1 177 177 VAL CA C 177 65.322 65.322 63.965 1.357 19425 10196 1 12 . 1 1 177 177 VAL CB C 177 31.431 31.431 30.552 0.879 19425 10197 1 12 . 1 1 177 177 VAL H H 177 8.276 8.276 7.955 0.321 19425 10198 1 12 . 1 1 179 179 ASP N N 179 122.577 122.577 124.278 -1.701 19425 10199 1 12 . 1 1 179 179 ASP C C 179 174.554 174.554 175.612 -1.058 19425 10200 1 12 . 1 1 179 179 ASP CA C 179 54.687 54.687 55.284 -0.597 19425 10201 1 12 . 1 1 179 179 ASP CB C 179 40.417 40.417 41.385 -0.968 19425 10202 1 12 . 1 1 179 179 ASP H H 179 7.848 7.848 7.916 -0.068 19425 10203 1 12 . 1 1 180 180 ASP N N 180 121.916 121.916 123.963 -2.047 19425 10204 1 12 . 1 1 180 180 ASP C C 180 174.610 174.610 176.186 -1.576 19425 10205 1 12 . 1 1 180 180 ASP CA C 180 54.379 54.379 55.266 -0.887 19425 10206 1 12 . 1 1 180 180 ASP CB C 180 42.178 42.178 41.124 1.054 19425 10207 1 12 . 1 1 180 180 ASP H H 180 8.521 8.521 8.507 0.014 19425 10208 1 12 . 1 1 181 181 LEU N N 181 121.499 121.499 123.240 -1.741 19425 10209 1 12 . 1 1 181 181 LEU C C 181 175.166 175.166 176.738 -1.572 19425 10210 1 12 . 1 1 181 181 LEU CA C 181 54.379 54.379 53.630 0.749 19425 10211 1 12 . 1 1 181 181 LEU CB C 181 45.395 45.395 44.539 0.856 19425 10212 1 12 . 1 1 181 181 LEU H H 181 9.782 9.782 9.071 0.711 19425 10213 1 12 . 1 1 185 185 SER N N 185 122.939 122.939 121.856 1.083 19425 10214 1 12 . 1 1 185 185 SER C C 185 175.871 175.871 175.413 0.458 19425 10215 1 12 . 1 1 185 185 SER CA C 185 57.514 57.514 57.819 -0.305 19425 10216 1 12 . 1 1 185 185 SER CB C 185 62.772 62.772 63.293 -0.521 19425 10217 1 12 . 1 1 185 185 SER H H 185 9.183 9.183 8.876 0.307 19425 10218 1 12 . 1 1 186 186 VAL N N 186 131.799 131.799 128.655 3.144 19425 10219 1 12 . 1 1 186 186 VAL C C 186 177.226 177.226 177.195 0.031 19425 10220 1 12 . 1 1 186 186 VAL CA C 186 65.883 65.883 65.567 0.316 19425 10221 1 12 . 1 1 186 186 VAL CB C 186 31.190 31.190 31.682 -0.492 19425 10222 1 12 . 1 1 186 186 VAL H H 186 8.285 8.285 8.335 -0.050 19425 10223 1 12 . 1 1 187 187 SER N N 187 110.228 110.228 114.749 -4.521 19425 10224 1 12 . 1 1 187 187 SER C C 187 177.077 177.077 175.570 1.507 19425 10225 1 12 . 1 1 187 187 SER CA C 187 60.200 60.200 60.778 -0.578 19425 10226 1 12 . 1 1 187 187 SER CB C 187 62.264 62.264 63.763 -1.499 19425 10227 1 12 . 1 1 187 187 SER H H 187 7.000 7.000 7.892 -0.892 19425 10228 1 12 . 1 1 188 188 SER N N 188 115.022 115.022 115.534 -0.512 19425 10229 1 12 . 1 1 188 188 SER C C 188 176.632 176.632 173.689 2.943 19425 10230 1 12 . 1 1 188 188 SER CA C 188 58.889 58.889 58.116 0.773 19425 10231 1 12 . 1 1 188 188 SER CB C 188 66.818 66.818 65.335 1.483 19425 10232 1 12 . 1 1 188 188 SER H H 188 7.886 7.886 7.596 0.290 19425 10233 1 12 . 1 1 189 189 GLU N N 189 118.477 118.477 118.952 -0.475 19425 10234 1 12 . 1 1 189 189 GLU C C 189 175.000 175.000 174.509 0.491 19425 10235 1 12 . 1 1 189 189 GLU CA C 189 58.562 58.562 57.800 0.762 19425 10236 1 12 . 1 1 189 189 GLU CB C 189 27.420 27.420 27.693 -0.273 19425 10237 1 12 . 1 1 189 189 GLU H H 189 7.929 7.929 8.089 -0.160 19425 10238 1 12 . 1 1 190 190 ARG N N 190 116.828 116.828 116.897 -0.069 19425 10239 1 12 . 1 1 190 190 ARG C C 190 173.868 173.868 175.835 -1.967 19425 10240 1 12 . 1 1 190 190 ARG CA C 190 54.238 54.238 54.505 -0.268 19425 10241 1 12 . 1 1 190 190 ARG CB C 190 32.141 32.141 33.092 -0.951 19425 10242 1 12 . 1 1 190 190 ARG H H 190 6.723 6.723 7.284 -0.561 19425 10243 1 12 . 1 1 191 191 TYR N N 191 118.733 118.733 121.041 -2.308 19425 10244 1 12 . 1 1 191 191 TYR C C 191 174.368 174.368 177.289 -2.921 19425 10245 1 12 . 1 1 191 191 TYR CA C 191 57.405 57.405 58.682 -1.277 19425 10246 1 12 . 1 1 191 191 TYR CB C 191 39.444 39.444 39.465 -0.021 19425 10247 1 12 . 1 1 191 191 TYR H H 191 8.912 8.912 8.970 -0.058 19425 10248 1 12 . 1 1 192 192 LEU N N 192 123.460 123.460 124.656 -1.196 19425 10249 1 12 . 1 1 192 192 LEU C C 192 176.753 176.753 176.037 0.716 19425 10250 1 12 . 1 1 192 192 LEU CA C 192 57.061 57.061 54.226 2.835 19425 10251 1 12 . 1 1 192 192 LEU CB C 192 41.351 41.351 40.631 0.720 19425 10252 1 12 . 1 1 192 192 LEU H H 192 8.836 8.836 8.866 -0.030 19425 10253 1 12 . 1 1 193 193 HIS N N 193 134.195 134.195 125.447 8.748 19425 10254 1 12 . 1 1 193 193 HIS C C 193 178.766 178.766 174.410 4.356 19425 10255 1 12 . 1 1 193 193 HIS CA C 193 56.349 56.349 55.990 0.359 19425 10256 1 12 . 1 1 193 193 HIS CB C 193 31.613 31.613 31.898 -0.285 19425 10257 1 12 . 1 1 193 193 HIS H H 193 10.227 10.227 8.873 1.354 19425 10258 1 12 . 1 1 194 194 LEU N N 194 128.500 128.500 127.237 1.263 19425 10259 1 12 . 1 1 194 194 LEU C C 194 170.268 170.268 175.267 -4.999 19425 10260 1 12 . 1 1 194 194 LEU CA C 194 54.139 54.139 53.922 0.217 19425 10261 1 12 . 1 1 194 194 LEU CB C 194 44.036 44.036 43.267 0.770 19425 10262 1 12 . 1 1 194 194 LEU H H 194 7.784 7.784 7.768 0.016 19425 10263 1 12 . 1 1 195 195 SER N N 195 122.195 122.195 122.069 0.126 19425 10264 1 12 . 1 1 195 195 SER C C 195 174.740 174.740 173.257 1.483 19425 10265 1 12 . 1 1 195 195 SER CA C 195 56.814 56.814 56.283 0.530 19425 10266 1 12 . 1 1 195 195 SER CB C 195 66.260 66.260 66.158 0.102 19425 10267 1 12 . 1 1 195 195 SER H H 195 9.042 9.042 8.933 0.109 19425 10268 1 12 . 1 1 196 196 TYR N N 196 124.809 124.809 129.110 -4.301 19425 10269 1 12 . 1 1 196 196 TYR C C 196 172.439 172.439 175.284 -2.845 19425 10270 1 12 . 1 1 196 196 TYR CA C 196 57.019 57.019 56.607 0.412 19425 10271 1 12 . 1 1 196 196 TYR CB C 196 39.817 39.817 38.882 0.935 19425 10272 1 12 . 1 1 196 196 TYR H H 196 8.657 8.657 8.850 -0.193 19425 10273 1 12 . 1 1 197 197 GLY N N 197 114.111 114.111 114.504 -0.393 19425 10274 1 12 . 1 1 197 197 GLY C C 197 176.113 176.113 174.341 1.772 19425 10275 1 12 . 1 1 197 197 GLY CA C 197 45.492 45.492 44.361 1.131 19425 10276 1 12 . 1 1 197 197 GLY H H 197 8.030 8.030 8.282 -0.252 19425 10277 1 12 . 1 1 200 200 SER N N 200 113.158 113.158 115.767 -2.609 19425 10278 1 12 . 1 1 200 200 SER C C 200 172.661 172.661 171.894 0.767 19425 10279 1 12 . 1 1 200 200 SER CA C 200 56.890 56.890 56.673 0.217 19425 10280 1 12 . 1 1 200 200 SER CB C 200 65.522 65.522 65.795 -0.273 19425 10281 1 12 . 1 1 200 200 SER H H 200 6.893 6.893 7.459 -0.566 19425 10282 1 12 . 1 1 201 201 TRP N N 201 122.521 122.521 120.248 2.273 19425 10283 1 12 . 1 1 201 201 TRP C C 201 171.813 171.813 176.070 -4.257 19425 10284 1 12 . 1 1 201 201 TRP CA C 201 56.990 56.990 56.269 0.721 19425 10285 1 12 . 1 1 201 201 TRP CB C 201 31.501 31.501 31.750 -0.249 19425 10286 1 12 . 1 1 201 201 TRP H H 201 8.243 8.243 8.199 0.044 19425 10287 1 12 . 1 1 202 202 HIS N N 202 121.171 121.171 118.893 2.278 19425 10288 1 12 . 1 1 202 202 HIS C C 202 173.805 173.805 173.743 0.062 19425 10289 1 12 . 1 1 202 202 HIS CA C 202 55.169 55.169 54.784 0.385 19425 10290 1 12 . 1 1 202 202 HIS CB C 202 32.254 32.254 34.029 -1.775 19425 10291 1 12 . 1 1 202 202 HIS H H 202 9.383 9.383 9.321 0.062 19425 10292 1 12 . 1 1 203 203 VAL N N 203 119.943 119.943 121.622 -1.679 19425 10293 1 12 . 1 1 203 203 VAL C C 203 172.439 172.439 174.390 -1.951 19425 10294 1 12 . 1 1 203 203 VAL CA C 203 58.683 58.683 59.750 -1.067 19425 10295 1 12 . 1 1 203 203 VAL CB C 203 33.957 33.957 34.430 -0.473 19425 10296 1 12 . 1 1 203 203 VAL H H 203 8.649 8.649 8.858 -0.209 19425 10297 1 12 . 1 1 204 204 ASP N N 204 127.907 127.907 126.422 1.485 19425 10298 1 12 . 1 1 204 204 ASP C C 204 173.162 173.162 173.857 -0.695 19425 10299 1 12 . 1 1 204 204 ASP CA C 204 53.545 53.545 52.757 0.788 19425 10300 1 12 . 1 1 204 204 ASP CB C 204 42.169 42.169 44.320 -2.151 19425 10301 1 12 . 1 1 204 204 ASP H H 204 9.822 9.822 8.995 0.827 19425 10302 1 12 . 1 1 205 205 ALA N N 205 121.047 121.047 121.089 -0.042 19425 10303 1 12 . 1 1 205 205 ALA C C 205 172.754 172.754 176.324 -3.570 19425 10304 1 12 . 1 1 205 205 ALA CA C 205 50.147 50.147 50.593 -0.446 19425 10305 1 12 . 1 1 205 205 ALA CB C 205 19.642 19.642 19.350 0.292 19425 10306 1 12 . 1 1 205 205 ALA H H 205 9.176 9.176 8.407 0.769 19425 10307 1 12 . 1 1 206 206 ALA N N 206 127.318 127.318 125.518 1.800 19425 10308 1 12 . 1 1 206 206 ALA C C 206 176.465 176.465 176.159 0.306 19425 10309 1 12 . 1 1 206 206 ALA CA C 206 50.609 50.609 50.782 -0.173 19425 10310 1 12 . 1 1 206 206 ALA CB C 206 23.819 23.819 21.543 2.276 19425 10311 1 12 . 1 1 206 206 ALA H H 206 9.088 9.088 8.004 1.084 19425 10312 1 12 . 1 1 207 207 PHE N N 207 117.878 117.878 117.152 0.726 19425 10313 1 12 . 1 1 207 207 PHE C C 207 176.576 176.576 175.679 0.897 19425 10314 1 12 . 1 1 207 207 PHE CA C 207 59.714 59.714 58.698 1.016 19425 10315 1 12 . 1 1 207 207 PHE CB C 207 38.239 38.239 38.756 -0.517 19425 10316 1 12 . 1 1 207 207 PHE H H 207 8.953 8.953 8.501 0.452 19425 10317 1 12 . 1 1 208 208 GLN N N 208 117.531 117.531 117.136 0.395 19425 10318 1 12 . 1 1 208 208 GLN C C 208 175.166 175.166 175.273 -0.107 19425 10319 1 12 . 1 1 208 208 GLN CA C 208 55.096 55.096 54.001 1.095 19425 10320 1 12 . 1 1 208 208 GLN CB C 208 30.437 30.437 31.100 -0.663 19425 10321 1 12 . 1 1 208 208 GLN H H 208 6.613 6.613 7.759 -1.146 19425 10322 1 12 . 1 1 209 209 GLN N N 209 117.318 117.318 122.199 -4.881 19425 10323 1 12 . 1 1 209 209 GLN C C 209 173.162 173.162 175.562 -2.400 19425 10324 1 12 . 1 1 209 209 GLN CA C 209 56.217 56.217 56.790 -0.573 19425 10325 1 12 . 1 1 209 209 GLN CB C 209 29.912 29.912 29.433 0.479 19425 10326 1 12 . 1 1 209 209 GLN H H 209 8.108 8.108 8.323 -0.215 19425 10327 1 12 . 1 1 210 210 THR N N 210 116.616 116.616 113.968 2.648 19425 10328 1 12 . 1 1 210 210 THR C C 210 176.150 176.150 172.750 3.400 19425 10329 1 12 . 1 1 210 210 THR CA C 210 62.848 62.848 61.885 0.963 19425 10330 1 12 . 1 1 210 210 THR CB C 210 73.244 73.244 70.509 2.735 19425 10331 1 12 . 1 1 210 210 THR H H 210 6.641 6.641 8.252 -1.611 19425 10332 1 12 . 1 1 211 211 LEU N N 211 126.776 126.776 126.815 -0.039 19425 10333 1 12 . 1 1 211 211 LEU C C 211 171.418 171.418 175.610 -4.192 19425 10334 1 12 . 1 1 211 211 LEU CA C 211 55.012 55.012 54.776 0.236 19425 10335 1 12 . 1 1 211 211 LEU CB C 211 41.627 41.627 42.228 -0.601 19425 10336 1 12 . 1 1 211 211 LEU H H 211 8.418 8.418 8.451 -0.033 19425 10337 1 12 . 1 1 212 212 TRP N N 212 124.678 124.678 124.285 0.393 19425 10338 1 12 . 1 1 212 212 TRP C C 212 175.742 175.742 175.811 -0.069 19425 10339 1 12 . 1 1 212 212 TRP CA C 212 56.052 56.052 55.698 0.354 19425 10340 1 12 . 1 1 212 212 TRP CB C 212 31.169 31.169 32.998 -1.829 19425 10341 1 12 . 1 1 212 212 TRP H H 212 9.462 9.462 9.154 0.308 19425 10342 1 12 . 1 1 213 213 SER N N 213 118.197 118.197 117.229 0.968 19425 10343 1 12 . 1 1 213 213 SER C C 213 175.575 175.575 173.691 1.884 19425 10344 1 12 . 1 1 213 213 SER CA C 213 57.141 57.141 56.625 0.516 19425 10345 1 12 . 1 1 213 213 SER CB C 213 64.800 64.800 63.996 0.804 19425 10346 1 12 . 1 1 213 213 SER H H 213 9.642 9.642 9.358 0.284 19425 10347 1 12 . 1 1 214 214 VAL N N 214 125.581 125.581 129.455 -3.874 19425 10348 1 12 . 1 1 214 214 VAL C C 214 174.183 174.183 174.956 -0.773 19425 10349 1 12 . 1 1 214 214 VAL CA C 214 61.398 61.398 61.523 -0.125 19425 10350 1 12 . 1 1 214 214 VAL CB C 214 32.502 32.502 30.872 1.630 19425 10351 1 12 . 1 1 214 214 VAL H H 214 8.433 8.433 8.710 -0.277 19425 10352 1 12 . 1 1 215 215 ALA N N 215 130.074 130.074 131.856 -1.782 19425 10353 1 12 . 1 1 215 215 ALA C C 215 174.647 174.647 174.299 0.348 19425 10354 1 12 . 1 1 215 215 ALA CA C 215 49.058 49.058 48.651 0.407 19425 10355 1 12 . 1 1 215 215 ALA CB C 215 20.299 20.299 20.603 -0.304 19425 10356 1 12 . 1 1 215 215 ALA H H 215 8.572 8.572 8.366 0.206 19425 10357 1 13 . 1 1 13 13 PHE N N 13 122.001 122.001 121.138 0.863 19425 10358 1 13 . 1 1 13 13 PHE C C 13 174.608 174.608 175.736 -1.128 19425 10359 1 13 . 1 1 13 13 PHE CA C 13 56.445 56.445 55.818 0.627 19425 10360 1 13 . 1 1 13 13 PHE CB C 13 41.650 41.650 41.945 -0.295 19425 10361 1 13 . 1 1 13 13 PHE H H 13 8.209 8.209 8.311 -0.102 19425 10362 1 13 . 1 1 14 14 LEU N N 14 122.475 122.475 123.459 -0.984 19425 10363 1 13 . 1 1 14 14 LEU C C 14 175.630 175.630 175.942 -0.312 19425 10364 1 13 . 1 1 14 14 LEU CA C 14 55.024 55.024 54.911 0.113 19425 10365 1 13 . 1 1 14 14 LEU CB C 14 43.987 43.987 42.015 1.972 19425 10366 1 13 . 1 1 14 14 LEU H H 14 8.264 8.264 8.985 -0.721 19425 10367 1 13 . 1 1 15 15 ARG N N 15 121.510 121.510 122.682 -1.172 19425 10368 1 13 . 1 1 15 15 ARG C C 15 175.630 175.630 177.243 -1.613 19425 10369 1 13 . 1 1 15 15 ARG CA C 15 54.007 54.007 52.696 1.312 19425 10370 1 13 . 1 1 15 15 ARG CB C 15 34.536 34.536 32.937 1.599 19425 10371 1 13 . 1 1 15 15 ARG H H 15 8.653 8.653 8.183 0.470 19425 10372 1 13 . 1 1 16 16 THR N N 16 110.840 110.840 112.891 -2.051 19425 10373 1 13 . 1 1 16 16 THR C C 16 175.946 175.946 174.710 1.236 19425 10374 1 13 . 1 1 16 16 THR CA C 16 62.950 62.950 62.682 0.268 19425 10375 1 13 . 1 1 16 16 THR CB C 16 69.276 69.276 69.320 -0.044 19425 10376 1 13 . 1 1 16 16 THR H H 16 8.815 8.815 8.536 0.279 19425 10377 1 13 . 1 1 17 17 ASP N N 17 114.036 114.036 118.476 -4.440 19425 10378 1 13 . 1 1 17 17 ASP C C 17 175.686 175.686 175.138 0.548 19425 10379 1 13 . 1 1 17 17 ASP CA C 17 57.735 57.735 56.891 0.845 19425 10380 1 13 . 1 1 17 17 ASP CB C 17 39.928 39.928 40.343 -0.415 19425 10381 1 13 . 1 1 17 17 ASP H H 17 9.241 9.241 8.686 0.555 19425 10382 1 13 . 1 1 18 18 ASP N N 18 122.062 122.062 120.512 1.550 19425 10383 1 13 . 1 1 18 18 ASP C C 18 175.946 175.946 175.809 0.137 19425 10384 1 13 . 1 1 18 18 ASP CA C 18 56.214 56.214 54.704 1.510 19425 10385 1 13 . 1 1 18 18 ASP CB C 18 40.985 40.985 41.593 -0.608 19425 10386 1 13 . 1 1 18 18 ASP H H 18 8.035 8.035 7.501 0.534 19425 10387 1 13 . 1 1 19 19 GLU N N 19 122.006 122.006 123.170 -1.164 19425 10388 1 13 . 1 1 19 19 GLU C C 19 175.055 175.055 176.239 -1.184 19425 10389 1 13 . 1 1 19 19 GLU CA C 19 55.262 55.262 56.391 -1.129 19425 10390 1 13 . 1 1 19 19 GLU CB C 19 30.712 30.712 30.533 0.179 19425 10391 1 13 . 1 1 19 19 GLU H H 19 8.274 8.274 8.558 -0.284 19425 10392 1 13 . 1 1 20 20 VAL N N 20 118.214 118.214 121.616 -3.402 19425 10393 1 13 . 1 1 20 20 VAL C C 20 176.855 176.855 173.774 3.081 19425 10394 1 13 . 1 1 20 20 VAL CA C 20 59.054 59.054 59.134 -0.080 19425 10395 1 13 . 1 1 20 20 VAL CB C 20 36.780 36.780 36.264 0.516 19425 10396 1 13 . 1 1 20 20 VAL H H 20 9.779 9.779 9.125 0.654 19425 10397 1 13 . 1 1 21 21 VAL N N 21 115.443 115.443 114.391 1.052 19425 10398 1 13 . 1 1 21 21 VAL C C 21 173.830 173.830 174.357 -0.527 19425 10399 1 13 . 1 1 21 21 VAL CA C 21 60.308 60.308 59.206 1.102 19425 10400 1 13 . 1 1 21 21 VAL CB C 21 34.625 34.625 34.899 -0.274 19425 10401 1 13 . 1 1 21 21 VAL H H 21 8.167 8.167 8.431 -0.264 19425 10402 1 13 . 1 1 22 22 LEU N N 22 128.072 128.072 127.448 0.624 19425 10403 1 13 . 1 1 22 22 LEU C C 22 174.858 174.858 176.028 -1.170 19425 10404 1 13 . 1 1 22 22 LEU CA C 22 55.656 55.656 54.385 1.271 19425 10405 1 13 . 1 1 22 22 LEU CB C 22 42.545 42.545 42.169 0.376 19425 10406 1 13 . 1 1 22 22 LEU H H 22 10.103 10.103 8.951 1.152 19425 10407 1 13 . 1 1 23 23 GLN N N 23 120.609 120.609 122.866 -2.257 19425 10408 1 13 . 1 1 23 23 GLN C C 23 175.500 175.500 175.321 0.179 19425 10409 1 13 . 1 1 23 23 GLN CA C 23 53.710 53.710 53.890 -0.180 19425 10410 1 13 . 1 1 23 23 GLN CB C 23 33.697 33.697 33.443 0.254 19425 10411 1 13 . 1 1 23 23 GLN H H 23 9.119 9.119 8.679 0.440 19425 10412 1 13 . 1 1 24 24 CYS N N 24 118.659 118.659 116.416 2.243 19425 10413 1 13 . 1 1 24 24 CYS C C 24 174.443 174.443 173.481 0.962 19425 10414 1 13 . 1 1 24 24 CYS CA C 24 55.261 55.261 56.834 -1.573 19425 10415 1 13 . 1 1 24 24 CYS CB C 24 30.302 30.302 30.822 -0.520 19425 10416 1 13 . 1 1 24 24 CYS H H 24 8.993 8.993 9.011 -0.018 19425 10417 1 13 . 1 1 25 25 THR N N 25 116.266 116.266 119.785 -3.519 19425 10418 1 13 . 1 1 25 25 THR C C 25 172.457 172.457 173.734 -1.277 19425 10419 1 13 . 1 1 25 25 THR CA C 25 61.858 61.858 63.161 -1.304 19425 10420 1 13 . 1 1 25 25 THR CB C 25 70.271 70.271 68.852 1.419 19425 10421 1 13 . 1 1 25 25 THR H H 25 8.480 8.480 8.593 -0.113 19425 10422 1 13 . 1 1 26 26 ALA N N 26 129.739 129.739 130.957 -1.218 19425 10423 1 13 . 1 1 26 26 ALA C C 26 172.717 172.717 175.073 -2.356 19425 10424 1 13 . 1 1 26 26 ALA CA C 26 50.642 50.642 50.028 0.614 19425 10425 1 13 . 1 1 26 26 ALA CB C 26 21.315 21.315 19.730 1.585 19425 10426 1 13 . 1 1 26 26 ALA H H 26 8.590 8.590 8.642 -0.052 19425 10427 1 13 . 1 1 27 27 THR N N 27 116.574 116.574 119.176 -2.602 19425 10428 1 13 . 1 1 27 27 THR C C 27 173.181 173.181 173.692 -0.511 19425 10429 1 13 . 1 1 27 27 THR CA C 27 61.919 61.919 61.392 0.527 19425 10430 1 13 . 1 1 27 27 THR CB C 27 69.696 69.696 70.645 -0.949 19425 10431 1 13 . 1 1 27 27 THR H H 27 8.110 8.110 8.290 -0.180 19425 10432 1 13 . 1 1 28 28 ILE N N 28 126.342 126.342 125.211 1.131 19425 10433 1 13 . 1 1 28 28 ILE C C 28 173.793 173.793 174.549 -0.756 19425 10434 1 13 . 1 1 28 28 ILE CA C 28 60.407 60.407 61.391 -0.984 19425 10435 1 13 . 1 1 28 28 ILE CB C 28 39.536 39.536 40.474 -0.938 19425 10436 1 13 . 1 1 28 28 ILE H H 28 8.483 8.483 8.969 -0.486 19425 10437 1 13 . 1 1 29 29 HIS N N 29 126.364 126.364 125.338 1.026 19425 10438 1 13 . 1 1 29 29 HIS C C 29 175.259 175.259 174.222 1.037 19425 10439 1 13 . 1 1 29 29 HIS CA C 29 57.174 57.174 57.211 -0.037 19425 10440 1 13 . 1 1 29 29 HIS CB C 29 28.029 28.029 27.700 0.330 19425 10441 1 13 . 1 1 29 29 HIS H H 29 9.110 9.110 8.477 0.633 19425 10442 1 13 . 1 1 31 31 GLU N N 31 120.962 120.962 119.538 1.424 19425 10443 1 13 . 1 1 31 31 GLU C C 31 175.575 175.575 174.252 1.323 19425 10444 1 13 . 1 1 31 31 GLU CA C 31 55.394 55.394 55.325 0.069 19425 10445 1 13 . 1 1 31 31 GLU CB C 31 31.576 31.576 33.083 -1.507 19425 10446 1 13 . 1 1 31 31 GLU H H 31 8.047 8.047 7.708 0.339 19425 10447 1 13 . 1 1 32 32 GLN N N 32 123.171 123.171 124.099 -0.928 19425 10448 1 13 . 1 1 32 32 GLN C C 32 175.185 175.185 174.452 0.733 19425 10449 1 13 . 1 1 32 32 GLN CA C 32 54.496 54.496 54.465 0.030 19425 10450 1 13 . 1 1 32 32 GLN CB C 32 30.054 30.054 31.520 -1.466 19425 10451 1 13 . 1 1 32 32 GLN H H 32 8.646 8.646 8.657 -0.011 19425 10452 1 13 . 1 1 33 33 GLN N N 33 123.530 123.530 120.720 2.810 19425 10453 1 13 . 1 1 33 33 GLN C C 33 175.667 175.667 173.416 2.251 19425 10454 1 13 . 1 1 33 33 GLN CA C 33 54.616 54.616 54.643 -0.027 19425 10455 1 13 . 1 1 33 33 GLN CB C 33 31.748 31.748 32.673 -0.925 19425 10456 1 13 . 1 1 33 33 GLN H H 33 8.839 8.839 8.879 -0.040 19425 10457 1 13 . 1 1 34 34 LYS N N 34 124.601 124.601 120.344 4.257 19425 10458 1 13 . 1 1 34 34 LYS C C 34 173.812 173.812 174.926 -1.114 19425 10459 1 13 . 1 1 34 34 LYS CA C 34 55.755 55.755 55.151 0.605 19425 10460 1 13 . 1 1 34 34 LYS CB C 34 32.712 32.712 36.093 -3.381 19425 10461 1 13 . 1 1 34 34 LYS H H 34 8.589 8.589 8.255 0.334 19425 10462 1 13 . 1 1 35 35 LEU N N 35 126.071 126.071 122.180 3.891 19425 10463 1 13 . 1 1 35 35 LEU C C 35 175.445 175.445 175.815 -0.370 19425 10464 1 13 . 1 1 35 35 LEU CA C 35 53.347 53.347 52.693 0.654 19425 10465 1 13 . 1 1 35 35 LEU CB C 35 44.943 44.943 46.166 -1.223 19425 10466 1 13 . 1 1 35 35 LEU H H 35 8.794 8.794 8.451 0.343 19425 10467 1 13 . 1 1 36 36 CYS N N 36 118.373 118.373 118.379 -0.006 19425 10468 1 13 . 1 1 36 36 CYS C C 36 176.057 176.057 175.338 0.719 19425 10469 1 13 . 1 1 36 36 CYS CA C 36 57.174 57.174 55.445 1.729 19425 10470 1 13 . 1 1 36 36 CYS CB C 36 30.306 30.306 28.889 1.417 19425 10471 1 13 . 1 1 36 36 CYS H H 36 9.042 9.042 8.812 0.230 19425 10472 1 13 . 1 1 37 37 LEU N N 37 129.256 129.256 126.110 3.146 19425 10473 1 13 . 1 1 37 37 LEU C C 37 174.090 174.090 175.310 -1.220 19425 10474 1 13 . 1 1 37 37 LEU CA C 37 56.349 56.349 55.535 0.813 19425 10475 1 13 . 1 1 37 37 LEU CB C 37 42.689 42.689 42.006 0.683 19425 10476 1 13 . 1 1 37 37 LEU H H 37 8.811 8.811 8.951 -0.140 19425 10477 1 13 . 1 1 38 38 ALA N N 38 127.229 127.229 128.413 -1.184 19425 10478 1 13 . 1 1 38 38 ALA C C 38 174.517 174.517 175.117 -0.600 19425 10479 1 13 . 1 1 38 38 ALA CA C 38 50.609 50.609 49.480 1.129 19425 10480 1 13 . 1 1 38 38 ALA CB C 38 24.141 24.141 22.182 1.959 19425 10481 1 13 . 1 1 38 38 ALA H H 38 8.879 8.879 8.629 0.250 19425 10482 1 13 . 1 1 39 39 ALA N N 39 117.076 117.076 119.992 -2.916 19425 10483 1 13 . 1 1 39 39 ALA C C 39 174.665 174.665 174.707 -0.042 19425 10484 1 13 . 1 1 39 39 ALA CA C 39 51.500 51.500 51.678 -0.178 19425 10485 1 13 . 1 1 39 39 ALA CB C 39 20.996 20.996 21.574 -0.578 19425 10486 1 13 . 1 1 39 39 ALA H H 39 6.837 6.837 7.699 -0.862 19425 10487 1 13 . 1 1 40 40 GLU N N 40 119.966 119.966 118.397 1.569 19425 10488 1 13 . 1 1 40 40 GLU C C 40 176.205 176.205 176.038 0.167 19425 10489 1 13 . 1 1 40 40 GLU CA C 40 55.950 55.950 54.382 1.568 19425 10490 1 13 . 1 1 40 40 GLU CB C 40 31.836 31.836 32.384 -0.548 19425 10491 1 13 . 1 1 40 40 GLU H H 40 8.413 8.413 8.659 -0.246 19425 10492 1 13 . 1 1 41 41 GLY N N 41 108.646 108.646 107.071 1.575 19425 10493 1 13 . 1 1 41 41 GLY C C 41 176.892 176.892 173.548 3.344 19425 10494 1 13 . 1 1 41 41 GLY CA C 41 45.628 45.628 45.029 0.599 19425 10495 1 13 . 1 1 41 41 GLY H H 41 8.463 8.463 8.790 -0.327 19425 10496 1 13 . 1 1 43 43 GLY N N 43 109.557 109.557 109.451 0.106 19425 10497 1 13 . 1 1 43 43 GLY C C 43 176.465 176.465 174.383 2.082 19425 10498 1 13 . 1 1 43 43 GLY CA C 43 45.397 45.397 45.922 -0.525 19425 10499 1 13 . 1 1 43 43 GLY H H 43 8.510 8.510 8.722 -0.212 19425 10500 1 13 . 1 1 44 44 ASN N N 44 116.850 116.850 121.693 -4.843 19425 10501 1 13 . 1 1 44 44 ASN C C 44 173.830 173.830 175.233 -1.403 19425 10502 1 13 . 1 1 44 44 ASN CA C 44 54.184 54.184 52.658 1.526 19425 10503 1 13 . 1 1 44 44 ASN CB C 44 38.252 38.252 38.131 0.121 19425 10504 1 13 . 1 1 44 44 ASN H H 44 8.028 8.028 8.553 -0.525 19425 10505 1 13 . 1 1 45 45 ARG N N 45 118.226 118.226 114.505 3.721 19425 10506 1 13 . 1 1 45 45 ARG C C 45 174.072 174.072 174.476 -0.404 19425 10507 1 13 . 1 1 45 45 ARG CA C 45 56.077 56.077 57.146 -1.069 19425 10508 1 13 . 1 1 45 45 ARG CB C 45 31.231 31.231 27.129 4.102 19425 10509 1 13 . 1 1 45 45 ARG H H 45 7.759 7.759 7.493 0.266 19425 10510 1 13 . 1 1 46 46 LEU N N 46 124.643 124.643 118.774 5.869 19425 10511 1 13 . 1 1 46 46 LEU C C 46 176.447 176.447 177.069 -0.622 19425 10512 1 13 . 1 1 46 46 LEU CA C 46 54.667 54.667 54.521 0.146 19425 10513 1 13 . 1 1 46 46 LEU CB C 46 42.605 42.605 42.866 -0.261 19425 10514 1 13 . 1 1 46 46 LEU H H 46 8.695 8.695 7.504 1.191 19425 10515 1 13 . 1 1 47 47 CYS N N 47 119.241 119.241 120.382 -1.141 19425 10516 1 13 . 1 1 47 47 CYS C C 47 176.651 176.651 174.969 1.682 19425 10517 1 13 . 1 1 47 47 CYS CA C 47 55.885 55.885 58.773 -2.888 19425 10518 1 13 . 1 1 47 47 CYS CB C 47 31.112 31.112 26.738 4.374 19425 10519 1 13 . 1 1 47 47 CYS H H 47 9.007 9.007 8.477 0.530 19425 10520 1 13 . 1 1 48 48 PHE N N 48 114.081 114.081 118.417 -4.336 19425 10521 1 13 . 1 1 48 48 PHE C C 48 170.342 170.342 173.007 -2.665 19425 10522 1 13 . 1 1 48 48 PHE CA C 48 57.405 57.405 55.778 1.627 19425 10523 1 13 . 1 1 48 48 PHE CB C 48 43.263 43.263 40.185 3.078 19425 10524 1 13 . 1 1 48 48 PHE H H 48 8.647 8.647 8.468 0.179 19425 10525 1 13 . 1 1 49 49 LEU N N 49 122.287 122.287 119.045 3.242 19425 10526 1 13 . 1 1 49 49 LEU C C 49 176.236 176.236 176.195 0.041 19425 10527 1 13 . 1 1 49 49 LEU CA C 49 53.285 53.285 53.775 -0.490 19425 10528 1 13 . 1 1 49 49 LEU CB C 49 42.907 42.907 45.671 -2.764 19425 10529 1 13 . 1 1 49 49 LEU H H 49 9.108 9.108 8.831 0.277 19425 10530 1 13 . 1 1 50 50 GLU N N 50 123.206 123.206 122.829 0.377 19425 10531 1 13 . 1 1 50 50 GLU C C 50 177.671 177.671 175.314 2.357 19425 10532 1 13 . 1 1 50 50 GLU CA C 50 57.084 57.084 54.907 2.177 19425 10533 1 13 . 1 1 50 50 GLU CB C 50 30.123 30.123 33.076 -2.953 19425 10534 1 13 . 1 1 50 50 GLU H H 50 8.834 8.834 8.550 0.284 19425 10535 1 13 . 1 1 51 51 SER N N 51 118.500 118.500 119.434 -0.934 19425 10536 1 13 . 1 1 51 51 SER C C 51 176.706 176.706 174.877 1.829 19425 10537 1 13 . 1 1 51 51 SER CA C 51 58.560 58.560 58.675 -0.115 19425 10538 1 13 . 1 1 51 51 SER CB C 51 63.979 63.979 64.127 -0.148 19425 10539 1 13 . 1 1 51 51 SER H H 51 8.461 8.461 8.793 -0.332 19425 10540 1 13 . 1 1 52 52 THR N N 52 116.205 116.205 117.000 -0.795 19425 10541 1 13 . 1 1 52 52 THR C C 52 174.808 174.808 175.430 -0.622 19425 10542 1 13 . 1 1 52 52 THR CA C 52 61.891 61.891 60.193 1.698 19425 10543 1 13 . 1 1 52 52 THR CB C 52 70.076 70.076 71.081 -1.005 19425 10544 1 13 . 1 1 52 52 THR H H 52 8.199 8.199 8.439 -0.240 19425 10545 1 13 . 1 1 65 65 CYS N N 65 117.553 117.553 119.613 -2.060 19425 10546 1 13 . 1 1 65 65 CYS C C 65 176.948 176.948 174.213 2.735 19425 10547 1 13 . 1 1 65 65 CYS CA C 65 57.900 57.900 57.395 0.505 19425 10548 1 13 . 1 1 65 65 CYS CB C 65 30.290 30.290 26.400 3.890 19425 10549 1 13 . 1 1 65 65 CYS H H 65 7.539 7.539 7.549 -0.010 19425 10550 1 13 . 1 1 66 66 THR N N 66 113.614 113.614 117.910 -4.296 19425 10551 1 13 . 1 1 66 66 THR C C 66 180.325 180.325 173.422 6.903 19425 10552 1 13 . 1 1 66 66 THR CA C 66 63.399 63.399 63.027 0.372 19425 10553 1 13 . 1 1 66 66 THR CB C 66 69.281 69.281 69.361 -0.079 19425 10554 1 13 . 1 1 66 66 THR H H 66 6.851 6.851 7.211 -0.360 19425 10555 1 13 . 1 1 67 67 PHE N N 67 126.248 126.248 125.601 0.647 19425 10556 1 13 . 1 1 67 67 PHE C C 67 174.424 174.424 174.122 0.302 19425 10557 1 13 . 1 1 67 67 PHE CA C 67 56.184 56.184 56.652 -0.468 19425 10558 1 13 . 1 1 67 67 PHE CB C 67 43.291 43.291 44.246 -0.955 19425 10559 1 13 . 1 1 67 67 PHE H H 67 9.603 9.603 9.373 0.230 19425 10560 1 13 . 1 1 68 68 VAL N N 68 121.310 121.310 118.901 2.409 19425 10561 1 13 . 1 1 68 68 VAL C C 68 173.719 173.719 175.579 -1.860 19425 10562 1 13 . 1 1 68 68 VAL CA C 68 60.935 60.935 60.550 0.385 19425 10563 1 13 . 1 1 68 68 VAL CB C 68 34.522 34.522 34.505 0.017 19425 10564 1 13 . 1 1 68 68 VAL H H 68 9.968 9.968 8.617 1.351 19425 10565 1 13 . 1 1 69 69 LEU N N 69 127.011 127.011 128.521 -1.510 19425 10566 1 13 . 1 1 69 69 LEU C C 69 177.152 177.152 177.953 -0.801 19425 10567 1 13 . 1 1 69 69 LEU CA C 69 53.083 53.083 54.509 -1.426 19425 10568 1 13 . 1 1 69 69 LEU CB C 69 39.652 39.652 39.349 0.303 19425 10569 1 13 . 1 1 69 69 LEU H H 69 8.135 8.135 8.705 -0.570 19425 10570 1 13 . 1 1 70 70 GLU N N 70 129.683 129.683 121.977 7.706 19425 10571 1 13 . 1 1 70 70 GLU C C 70 174.869 174.869 176.953 -2.084 19425 10572 1 13 . 1 1 70 70 GLU CA C 70 59.747 59.747 59.217 0.530 19425 10573 1 13 . 1 1 70 70 GLU CB C 70 31.291 31.291 29.938 1.353 19425 10574 1 13 . 1 1 70 70 GLU H H 70 8.654 8.654 8.341 0.313 19425 10575 1 13 . 1 1 71 71 GLN N N 71 110.287 110.287 116.697 -6.410 19425 10576 1 13 . 1 1 71 71 GLN C C 71 176.094 176.094 174.921 1.173 19425 10577 1 13 . 1 1 71 71 GLN CA C 71 54.030 54.030 54.490 -0.461 19425 10578 1 13 . 1 1 71 71 GLN CB C 71 33.112 33.112 32.824 0.288 19425 10579 1 13 . 1 1 71 71 GLN H H 71 7.318 7.318 7.627 -0.309 19425 10580 1 13 . 1 1 72 72 SER N N 72 116.205 116.205 117.928 -1.723 19425 10581 1 13 . 1 1 72 72 SER C C 72 174.035 174.035 173.258 0.777 19425 10582 1 13 . 1 1 72 72 SER CA C 72 58.132 58.132 58.483 -0.351 19425 10583 1 13 . 1 1 72 72 SER CB C 72 64.295 64.295 63.336 0.959 19425 10584 1 13 . 1 1 72 72 SER H H 72 8.380 8.380 8.806 -0.426 19425 10585 1 13 . 1 1 73 73 LEU N N 73 127.858 127.858 125.288 2.570 19425 10586 1 13 . 1 1 73 73 LEU C C 73 173.701 173.701 175.708 -2.007 19425 10587 1 13 . 1 1 73 73 LEU CA C 73 53.347 53.347 53.343 0.004 19425 10588 1 13 . 1 1 73 73 LEU CB C 73 45.926 45.926 44.860 1.066 19425 10589 1 13 . 1 1 73 73 LEU H H 73 9.532 9.532 8.966 0.566 19425 10590 1 13 . 1 1 74 74 SER N N 74 115.724 115.724 115.315 0.409 19425 10591 1 13 . 1 1 74 74 SER C C 74 177.541 177.541 175.938 1.603 19425 10592 1 13 . 1 1 74 74 SER CA C 74 57.905 57.905 58.376 -0.471 19425 10593 1 13 . 1 1 74 74 SER CB C 74 63.901 63.901 63.762 0.139 19425 10594 1 13 . 1 1 74 74 SER H H 74 8.240 8.240 8.215 0.025 19425 10595 1 13 . 1 1 75 75 VAL N N 75 122.994 122.994 127.459 -4.465 19425 10596 1 13 . 1 1 75 75 VAL C C 75 174.610 174.610 177.294 -2.684 19425 10597 1 13 . 1 1 75 75 VAL CA C 75 67.104 67.104 67.020 0.084 19425 10598 1 13 . 1 1 75 75 VAL CB C 75 30.953 30.953 31.439 -0.486 19425 10599 1 13 . 1 1 75 75 VAL H H 75 9.056 9.056 8.893 0.163 19425 10600 1 13 . 1 1 76 76 ARG N N 76 119.193 119.193 120.550 -1.357 19425 10601 1 13 . 1 1 76 76 ARG C C 76 178.228 178.228 178.213 0.015 19425 10602 1 13 . 1 1 76 76 ARG CA C 76 59.087 59.087 60.000 -0.913 19425 10603 1 13 . 1 1 76 76 ARG CB C 76 29.280 29.280 29.793 -0.513 19425 10604 1 13 . 1 1 76 76 ARG H H 76 8.137 8.137 7.685 0.452 19425 10605 1 13 . 1 1 77 77 ALA N N 77 122.977 122.977 120.193 2.784 19425 10606 1 13 . 1 1 77 77 ALA C C 77 178.506 178.506 179.738 -1.232 19425 10607 1 13 . 1 1 77 77 ALA CA C 77 54.926 54.926 54.678 0.248 19425 10608 1 13 . 1 1 77 77 ALA CB C 77 18.231 18.231 17.895 0.336 19425 10609 1 13 . 1 1 77 77 ALA H H 77 7.699 7.699 8.030 -0.331 19425 10610 1 13 . 1 1 78 78 LEU N N 78 121.115 121.115 120.215 0.900 19425 10611 1 13 . 1 1 78 78 LEU C C 78 180.640 180.640 178.386 2.254 19425 10612 1 13 . 1 1 78 78 LEU CA C 78 57.985 57.985 57.367 0.618 19425 10613 1 13 . 1 1 78 78 LEU CB C 78 40.522 40.522 41.272 -0.750 19425 10614 1 13 . 1 1 78 78 LEU H H 78 8.303 8.303 8.271 0.032 19425 10615 1 13 . 1 1 79 79 GLN N N 79 116.873 116.873 117.322 -0.449 19425 10616 1 13 . 1 1 79 79 GLN C C 79 177.875 177.875 178.451 -0.576 19425 10617 1 13 . 1 1 79 79 GLN CA C 79 59.069 59.069 59.075 -0.006 19425 10618 1 13 . 1 1 79 79 GLN CB C 79 27.254 27.254 28.328 -1.074 19425 10619 1 13 . 1 1 79 79 GLN H H 79 8.390 8.390 8.246 0.144 19425 10620 1 13 . 1 1 80 80 GLU N N 80 120.455 120.455 120.901 -0.446 19425 10621 1 13 . 1 1 80 80 GLU C C 80 179.749 179.749 178.688 1.061 19425 10622 1 13 . 1 1 80 80 GLU CA C 80 59.413 59.413 58.842 0.571 19425 10623 1 13 . 1 1 80 80 GLU CB C 80 29.142 29.142 29.117 0.025 19425 10624 1 13 . 1 1 80 80 GLU H H 80 7.942 7.942 7.990 -0.048 19425 10625 1 13 . 1 1 81 81 MET N N 81 120.541 120.541 118.595 1.946 19425 10626 1 13 . 1 1 81 81 MET C C 81 178.599 178.599 178.817 -0.218 19425 10627 1 13 . 1 1 81 81 MET CA C 81 59.665 59.665 59.463 0.202 19425 10628 1 13 . 1 1 81 81 MET CB C 81 32.534 32.534 32.776 -0.242 19425 10629 1 13 . 1 1 81 81 MET H H 81 7.870 7.870 8.012 -0.142 19425 10630 1 13 . 1 1 82 82 LEU N N 82 119.662 119.662 118.217 1.445 19425 10631 1 13 . 1 1 82 82 LEU C C 82 179.638 179.638 179.178 0.460 19425 10632 1 13 . 1 1 82 82 LEU CA C 82 57.669 57.669 57.128 0.541 19425 10633 1 13 . 1 1 82 82 LEU CB C 82 40.783 40.783 41.567 -0.784 19425 10634 1 13 . 1 1 82 82 LEU H H 82 8.488 8.488 7.898 0.590 19425 10635 1 13 . 1 1 83 83 ALA N N 83 120.827 120.827 121.438 -0.611 19425 10636 1 13 . 1 1 83 83 ALA C C 83 179.323 179.323 179.117 0.206 19425 10637 1 13 . 1 1 83 83 ALA CA C 83 54.073 54.073 54.832 -0.759 19425 10638 1 13 . 1 1 83 83 ALA CB C 83 18.326 18.326 18.364 -0.038 19425 10639 1 13 . 1 1 83 83 ALA H H 83 7.704 7.704 8.085 -0.381 19425 10640 1 13 . 1 1 84 84 ASN N N 84 115.853 115.853 112.996 2.857 19425 10641 1 13 . 1 1 84 84 ASN C C 84 178.944 178.944 176.208 2.736 19425 10642 1 13 . 1 1 84 84 ASN CA C 84 54.167 54.167 55.055 -0.888 19425 10643 1 13 . 1 1 84 84 ASN CB C 84 39.465 39.465 38.658 0.807 19425 10644 1 13 . 1 1 84 84 ASN H H 84 7.729 7.729 7.953 -0.224 19425 10645 1 13 . 1 1 85 85 THR N N 85 112.611 112.611 110.361 2.250 19425 10646 1 13 . 1 1 85 85 THR C C 85 175.569 175.569 175.198 0.371 19425 10647 1 13 . 1 1 85 85 THR CA C 85 63.086 63.086 62.822 0.264 19425 10648 1 13 . 1 1 85 85 THR CB C 85 70.071 70.071 69.557 0.514 19425 10649 1 13 . 1 1 85 85 THR H H 85 7.698 7.698 7.392 0.306 19425 10650 1 13 . 1 1 86 86 VAL N N 86 121.812 121.812 121.100 0.712 19425 10651 1 13 . 1 1 86 86 VAL C C 86 174.573 174.573 176.618 -2.045 19425 10652 1 13 . 1 1 86 86 VAL CA C 86 62.811 62.811 64.436 -1.625 19425 10653 1 13 . 1 1 86 86 VAL CB C 86 32.730 32.730 32.232 0.498 19425 10654 1 13 . 1 1 86 86 VAL H H 86 7.874 7.874 7.360 0.514 19425 10655 1 13 . 1 1 87 87 GLU N N 87 124.330 124.330 118.494 5.836 19425 10656 1 13 . 1 1 87 87 GLU C C 87 176.280 176.280 175.712 0.568 19425 10657 1 13 . 1 1 87 87 GLU CA C 87 56.877 56.877 55.331 1.546 19425 10658 1 13 . 1 1 87 87 GLU CB C 87 29.852 29.852 30.862 -1.010 19425 10659 1 13 . 1 1 87 87 GLU H H 87 8.403 8.403 7.668 0.735 19425 10660 1 13 . 1 1 88 88 LYS N N 88 122.065 122.065 118.640 3.425 19425 10661 1 13 . 1 1 88 88 LYS C C 88 176.966 176.966 176.210 0.756 19425 10662 1 13 . 1 1 88 88 LYS CA C 88 56.799 56.799 57.161 -0.362 19425 10663 1 13 . 1 1 88 88 LYS CB C 88 32.597 32.597 32.029 0.568 19425 10664 1 13 . 1 1 88 88 LYS H H 88 8.330 8.330 8.401 -0.071 19425 10665 1 13 . 1 1 89 89 SER N N 89 116.192 116.192 115.365 0.827 19425 10666 1 13 . 1 1 89 89 SER C C 89 176.865 176.865 173.726 3.139 19425 10667 1 13 . 1 1 89 89 SER CA C 89 59.008 59.008 58.231 0.777 19425 10668 1 13 . 1 1 89 89 SER CB C 89 63.765 63.765 63.784 -0.019 19425 10669 1 13 . 1 1 89 89 SER H H 89 8.247 8.247 8.254 -0.007 19425 10670 1 13 . 1 1 90 90 GLU N N 90 122.006 122.006 119.466 2.540 19425 10671 1 13 . 1 1 90 90 GLU C C 90 174.702 174.702 176.225 -1.523 19425 10672 1 13 . 1 1 90 90 GLU CA C 90 57.231 57.231 55.141 2.090 19425 10673 1 13 . 1 1 90 90 GLU CB C 90 29.442 29.442 31.672 -2.230 19425 10674 1 13 . 1 1 90 90 GLU H H 90 8.560 8.560 7.958 0.602 19425 10675 1 13 . 1 1 91 91 GLY N N 91 110.052 110.052 106.779 3.273 19425 10676 1 13 . 1 1 91 91 GLY C C 91 177.170 177.170 173.942 3.228 19425 10677 1 13 . 1 1 91 91 GLY CA C 91 45.634 45.634 44.953 0.681 19425 10678 1 13 . 1 1 91 91 GLY H H 91 8.358 8.358 8.477 -0.119 19425 10679 1 13 . 1 1 92 92 GLN N N 92 120.053 120.053 117.103 2.950 19425 10680 1 13 . 1 1 92 92 GLN C C 92 173.905 173.905 175.001 -1.096 19425 10681 1 13 . 1 1 92 92 GLN CA C 92 55.261 55.261 56.633 -1.372 19425 10682 1 13 . 1 1 92 92 GLN CB C 92 29.573 29.573 28.450 1.123 19425 10683 1 13 . 1 1 92 92 GLN H H 92 8.075 8.075 7.754 0.321 19425 10684 1 13 . 1 1 93 93 VAL N N 93 123.434 123.434 117.721 5.713 19425 10685 1 13 . 1 1 93 93 VAL C C 93 175.667 175.667 175.833 -0.166 19425 10686 1 13 . 1 1 93 93 VAL CA C 93 62.914 62.914 64.529 -1.615 19425 10687 1 13 . 1 1 93 93 VAL CB C 93 32.629 32.629 31.721 0.908 19425 10688 1 13 . 1 1 93 93 VAL H H 93 8.370 8.370 8.154 0.216 19425 10689 1 13 . 1 1 94 94 ASP N N 94 125.761 125.761 121.752 4.009 19425 10690 1 13 . 1 1 94 94 ASP C C 94 175.704 175.704 176.464 -0.760 19425 10691 1 13 . 1 1 94 94 ASP CA C 94 53.743 53.743 54.626 -0.883 19425 10692 1 13 . 1 1 94 94 ASP CB C 94 40.771 40.771 39.457 1.314 19425 10693 1 13 . 1 1 94 94 ASP H H 94 8.550 8.550 8.286 0.264 19425 10694 1 13 . 1 1 95 95 VAL N N 95 125.064 125.064 116.045 9.019 19425 10695 1 13 . 1 1 95 95 VAL C C 95 176.465 176.465 176.930 -0.465 19425 10696 1 13 . 1 1 95 95 VAL CA C 95 65.487 65.487 63.479 2.008 19425 10697 1 13 . 1 1 95 95 VAL CB C 95 31.773 31.773 32.050 -0.277 19425 10698 1 13 . 1 1 95 95 VAL H H 95 8.300 8.300 7.350 0.950 19425 10699 1 13 . 1 1 96 96 GLU N N 96 120.880 120.880 122.909 -2.029 19425 10700 1 13 . 1 1 96 96 GLU C C 96 177.523 177.523 177.903 -0.380 19425 10701 1 13 . 1 1 96 96 GLU CA C 96 59.157 59.157 58.566 0.591 19425 10702 1 13 . 1 1 96 96 GLU CB C 96 28.575 28.575 29.378 -0.803 19425 10703 1 13 . 1 1 96 96 GLU H H 96 8.297 8.297 8.365 -0.068 19425 10704 1 13 . 1 1 97 97 LYS N N 97 121.943 121.943 119.918 2.025 19425 10705 1 13 . 1 1 97 97 LYS C C 97 179.434 179.434 178.420 1.014 19425 10706 1 13 . 1 1 97 97 LYS CA C 97 59.186 59.186 58.008 1.178 19425 10707 1 13 . 1 1 97 97 LYS CB C 97 32.036 32.036 32.636 -0.600 19425 10708 1 13 . 1 1 97 97 LYS H H 97 7.979 7.979 8.165 -0.186 19425 10709 1 13 . 1 1 98 98 TRP N N 98 121.420 121.420 121.397 0.023 19425 10710 1 13 . 1 1 98 98 TRP C C 98 178.673 178.673 177.791 0.882 19425 10711 1 13 . 1 1 98 98 TRP CA C 98 60.176 60.176 60.682 -0.506 19425 10712 1 13 . 1 1 98 98 TRP CB C 98 29.340 29.340 29.362 -0.022 19425 10713 1 13 . 1 1 98 98 TRP H H 98 8.202 8.202 8.462 -0.260 19425 10714 1 13 . 1 1 99 99 LYS N N 99 118.236 118.236 118.793 -0.557 19425 10715 1 13 . 1 1 99 99 LYS C C 99 177.374 177.374 178.573 -1.199 19425 10716 1 13 . 1 1 99 99 LYS CA C 99 59.812 59.812 59.492 0.320 19425 10717 1 13 . 1 1 99 99 LYS CB C 99 32.042 32.042 31.823 0.219 19425 10718 1 13 . 1 1 99 99 LYS H H 99 8.346 8.346 8.319 0.027 19425 10719 1 13 . 1 1 100 100 PHE N N 100 120.365 120.365 120.809 -0.444 19425 10720 1 13 . 1 1 100 100 PHE C C 100 179.193 179.193 177.255 1.938 19425 10721 1 13 . 1 1 100 100 PHE CA C 100 60.902 60.902 61.456 -0.554 19425 10722 1 13 . 1 1 100 100 PHE CB C 100 38.875 38.875 39.452 -0.577 19425 10723 1 13 . 1 1 100 100 PHE H H 100 7.916 7.916 7.780 0.136 19425 10724 1 13 . 1 1 101 101 MET N N 101 121.837 121.837 120.357 1.480 19425 10725 1 13 . 1 1 101 101 MET C C 101 178.172 178.172 178.229 -0.057 19425 10726 1 13 . 1 1 101 101 MET CA C 101 58.625 58.625 58.995 -0.370 19425 10727 1 13 . 1 1 101 101 MET CB C 101 32.081 32.081 32.714 -0.633 19425 10728 1 13 . 1 1 101 101 MET H H 101 8.393 8.393 8.257 0.136 19425 10729 1 13 . 1 1 102 102 MET N N 102 119.901 119.901 118.241 1.660 19425 10730 1 13 . 1 1 102 102 MET C C 102 178.655 178.655 177.659 0.996 19425 10731 1 13 . 1 1 102 102 MET CA C 102 57.867 57.867 59.015 -1.148 19425 10732 1 13 . 1 1 102 102 MET CB C 102 32.414 32.414 32.352 0.062 19425 10733 1 13 . 1 1 102 102 MET H H 102 8.174 8.174 8.212 -0.038 19425 10734 1 13 . 1 1 103 103 LYS N N 103 120.555 120.555 119.843 0.712 19425 10735 1 13 . 1 1 103 103 LYS C C 103 177.857 177.857 178.684 -0.827 19425 10736 1 13 . 1 1 103 103 LYS CA C 103 58.592 58.592 59.302 -0.710 19425 10737 1 13 . 1 1 103 103 LYS CB C 103 31.816 31.816 31.897 -0.081 19425 10738 1 13 . 1 1 103 103 LYS H H 103 7.899 7.899 7.920 -0.021 19425 10739 1 13 . 1 1 104 104 THR N N 104 115.450 115.450 113.157 2.293 19425 10740 1 13 . 1 1 104 104 THR C C 104 179.267 179.267 176.704 2.563 19425 10741 1 13 . 1 1 104 104 THR CA C 104 64.914 64.914 65.780 -0.866 19425 10742 1 13 . 1 1 104 104 THR CB C 104 69.103 69.103 68.359 0.744 19425 10743 1 13 . 1 1 104 104 THR H H 104 7.895 7.895 8.025 -0.130 19425 10744 1 13 . 1 1 105 105 ALA N N 105 124.862 124.862 122.866 1.996 19425 10745 1 13 . 1 1 105 105 ALA C C 105 176.057 176.057 179.030 -2.973 19425 10746 1 13 . 1 1 105 105 ALA CA C 105 54.106 54.106 54.392 -0.286 19425 10747 1 13 . 1 1 105 105 ALA CB C 105 18.493 18.493 18.020 0.473 19425 10748 1 13 . 1 1 105 105 ALA H H 105 7.896 7.896 7.850 0.046 19425 10749 1 13 . 1 1 106 106 GLN N N 106 117.285 117.285 118.908 -1.623 19425 10750 1 13 . 1 1 106 106 GLN C C 106 178.655 178.655 177.007 1.648 19425 10751 1 13 . 1 1 106 106 GLN CA C 106 56.913 56.913 57.294 -0.381 19425 10752 1 13 . 1 1 106 106 GLN CB C 106 29.148 29.148 30.285 -1.137 19425 10753 1 13 . 1 1 106 106 GLN H H 106 7.944 7.944 7.940 0.004 19425 10754 1 13 . 1 1 107 107 GLY N N 107 107.494 107.494 106.087 1.407 19425 10755 1 13 . 1 1 107 107 GLY C C 107 177.597 177.597 173.884 3.713 19425 10756 1 13 . 1 1 107 107 GLY CA C 107 45.975 45.975 44.893 1.082 19425 10757 1 13 . 1 1 107 107 GLY H H 107 7.852 7.852 7.966 -0.114 19425 10758 1 13 . 1 1 108 108 GLY N N 108 109.642 109.642 108.769 0.873 19425 10759 1 13 . 1 1 108 108 GLY C C 108 174.740 174.740 173.862 0.878 19425 10760 1 13 . 1 1 108 108 GLY CA C 108 45.151 45.151 46.182 -1.031 19425 10761 1 13 . 1 1 108 108 GLY H H 108 8.313 8.313 8.262 0.051 19425 10762 1 13 . 1 1 109 109 GLY N N 109 108.058 108.058 105.429 2.629 19425 10763 1 13 . 1 1 109 109 GLY C C 109 174.313 174.313 173.119 1.194 19425 10764 1 13 . 1 1 109 109 GLY CA C 109 44.659 44.659 44.421 0.238 19425 10765 1 13 . 1 1 109 109 GLY H H 109 8.059 8.059 7.883 0.176 19425 10766 1 13 . 1 1 110 110 HIS N N 110 118.432 118.432 118.585 -0.153 19425 10767 1 13 . 1 1 110 110 HIS C C 110 173.348 173.348 175.385 -2.037 19425 10768 1 13 . 1 1 110 110 HIS CA C 110 55.590 55.590 56.147 -0.557 19425 10769 1 13 . 1 1 110 110 HIS CB C 110 28.502 28.502 31.232 -2.730 19425 10770 1 13 . 1 1 110 110 HIS H H 110 8.261 8.261 8.191 0.070 19425 10771 1 13 . 1 1 111 111 ARG N N 111 122.052 122.052 118.379 3.673 19425 10772 1 13 . 1 1 111 111 ARG C C 111 174.908 174.908 174.940 -0.032 19425 10773 1 13 . 1 1 111 111 ARG CA C 111 55.233 55.233 54.987 0.246 19425 10774 1 13 . 1 1 111 111 ARG CB C 111 31.125 31.125 32.934 -1.809 19425 10775 1 13 . 1 1 111 111 ARG H H 111 8.597 8.597 8.946 -0.349 19425 10776 1 13 . 1 1 112 112 THR N N 112 120.248 120.248 117.544 2.704 19425 10777 1 13 . 1 1 112 112 THR C C 112 176.447 176.447 174.491 1.956 19425 10778 1 13 . 1 1 112 112 THR CA C 112 63.723 63.723 62.875 0.848 19425 10779 1 13 . 1 1 112 112 THR CB C 112 68.984 68.984 69.454 -0.470 19425 10780 1 13 . 1 1 112 112 THR H H 112 8.577 8.577 8.379 0.198 19425 10781 1 13 . 1 1 113 113 LEU N N 113 130.382 130.382 126.459 3.923 19425 10782 1 13 . 1 1 113 113 LEU C C 113 174.294 174.294 175.315 -1.021 19425 10783 1 13 . 1 1 113 113 LEU CA C 113 56.791 56.791 54.812 1.979 19425 10784 1 13 . 1 1 113 113 LEU CB C 113 41.705 41.705 42.783 -1.078 19425 10785 1 13 . 1 1 113 113 LEU H H 113 8.515 8.515 8.860 -0.345 19425 10786 1 13 . 1 1 114 114 LEU N N 114 118.829 118.829 122.129 -3.300 19425 10787 1 13 . 1 1 114 114 LEU C C 114 175.278 175.278 176.700 -1.422 19425 10788 1 13 . 1 1 114 114 LEU CA C 114 51.667 51.667 52.543 -0.876 19425 10789 1 13 . 1 1 114 114 LEU CB C 114 42.454 42.454 44.153 -1.699 19425 10790 1 13 . 1 1 114 114 LEU H H 114 6.454 6.454 8.070 -1.616 19425 10791 1 13 . 1 1 115 115 TYR N N 115 119.059 119.059 121.129 -2.070 19425 10792 1 13 . 1 1 115 115 TYR C C 115 177.152 177.152 177.423 -0.271 19425 10793 1 13 . 1 1 115 115 TYR CA C 115 62.452 62.452 60.715 1.737 19425 10794 1 13 . 1 1 115 115 TYR CB C 115 38.058 38.058 38.069 -0.011 19425 10795 1 13 . 1 1 115 115 TYR H H 115 8.797 8.797 8.676 0.121 19425 10796 1 13 . 1 1 116 116 GLY N N 116 115.795 115.795 113.164 2.631 19425 10797 1 13 . 1 1 116 116 GLY C C 116 178.061 178.061 173.979 4.082 19425 10798 1 13 . 1 1 116 116 GLY CA C 116 45.100 45.100 45.170 -0.070 19425 10799 1 13 . 1 1 116 116 GLY H H 116 9.672 9.672 9.197 0.475 19425 10800 1 13 . 1 1 117 117 HIS N N 117 122.193 122.193 121.571 0.622 19425 10801 1 13 . 1 1 117 117 HIS C C 117 175.463 175.463 173.781 1.682 19425 10802 1 13 . 1 1 117 117 HIS CA C 117 56.119 56.119 55.696 0.423 19425 10803 1 13 . 1 1 117 117 HIS CB C 117 32.293 32.293 30.365 1.928 19425 10804 1 13 . 1 1 117 117 HIS H H 117 8.113 8.113 7.777 0.336 19425 10805 1 13 . 1 1 118 118 ALA N N 118 120.893 120.893 126.641 -5.748 19425 10806 1 13 . 1 1 118 118 ALA C C 118 173.775 173.775 176.150 -2.375 19425 10807 1 13 . 1 1 118 118 ALA CA C 118 50.378 50.378 51.391 -1.013 19425 10808 1 13 . 1 1 118 118 ALA CB C 118 21.646 21.646 19.645 2.001 19425 10809 1 13 . 1 1 118 118 ALA H H 118 9.458 9.458 8.871 0.587 19425 10810 1 13 . 1 1 120 120 LEU N N 120 119.631 119.631 123.835 -4.204 19425 10811 1 13 . 1 1 120 120 LEU C C 120 173.367 173.367 174.705 -1.338 19425 10812 1 13 . 1 1 120 120 LEU CA C 120 56.217 56.217 52.891 3.326 19425 10813 1 13 . 1 1 120 120 LEU CB C 120 39.519 39.519 44.027 -4.508 19425 10814 1 13 . 1 1 120 120 LEU H H 120 8.746 8.746 8.255 0.491 19425 10815 1 13 . 1 1 121 121 LEU N N 121 118.900 118.900 126.986 -8.086 19425 10816 1 13 . 1 1 121 121 LEU C C 121 171.400 171.400 175.777 -4.377 19425 10817 1 13 . 1 1 121 121 LEU CA C 121 52.852 52.852 53.749 -0.897 19425 10818 1 13 . 1 1 121 121 LEU CB C 121 43.452 43.452 42.716 0.736 19425 10819 1 13 . 1 1 121 121 LEU H H 121 8.590 8.590 8.571 0.019 19425 10820 1 13 . 1 1 122 122 ARG N N 122 123.588 123.588 124.976 -1.388 19425 10821 1 13 . 1 1 122 122 ARG C C 122 176.465 176.465 175.473 0.992 19425 10822 1 13 . 1 1 122 122 ARG CA C 122 54.403 54.403 53.965 0.438 19425 10823 1 13 . 1 1 122 122 ARG CB C 122 32.897 32.897 31.636 1.261 19425 10824 1 13 . 1 1 122 122 ARG H H 122 9.077 9.077 8.799 0.278 19425 10825 1 13 . 1 1 123 123 HIS N N 123 131.440 131.440 127.926 3.514 19425 10826 1 13 . 1 1 123 123 HIS C C 123 175.704 175.704 175.739 -0.035 19425 10827 1 13 . 1 1 123 123 HIS CA C 123 56.637 56.637 56.841 -0.204 19425 10828 1 13 . 1 1 123 123 HIS CB C 123 31.261 31.261 30.017 1.244 19425 10829 1 13 . 1 1 123 123 HIS H H 123 9.622 9.622 8.495 1.127 19425 10830 1 13 . 1 1 124 124 SER N N 124 127.024 127.024 124.922 2.102 19425 10831 1 13 . 1 1 124 124 SER C C 124 175.686 175.686 175.939 -0.253 19425 10832 1 13 . 1 1 124 124 SER CA C 124 62.010 62.010 61.915 0.095 19425 10833 1 13 . 1 1 124 124 SER CB C 124 62.912 62.912 63.009 -0.097 19425 10834 1 13 . 1 1 124 124 SER H H 124 7.840 7.840 7.849 -0.009 19425 10835 1 13 . 1 1 125 125 TYR N N 125 119.708 119.708 120.652 -0.944 19425 10836 1 13 . 1 1 125 125 TYR C C 125 180.696 180.696 176.560 4.136 19425 10837 1 13 . 1 1 125 125 TYR CA C 125 60.903 60.903 60.489 0.414 19425 10838 1 13 . 1 1 125 125 TYR CB C 125 38.744 38.744 38.587 0.157 19425 10839 1 13 . 1 1 125 125 TYR H H 125 8.746 8.746 7.682 1.064 19425 10840 1 13 . 1 1 126 126 SER N N 126 110.333 110.333 112.560 -2.227 19425 10841 1 13 . 1 1 126 126 SER C C 126 176.543 176.543 176.170 0.373 19425 10842 1 13 . 1 1 126 126 SER CA C 126 59.366 59.366 59.718 -0.352 19425 10843 1 13 . 1 1 126 126 SER CB C 126 65.282 65.282 64.492 0.790 19425 10844 1 13 . 1 1 126 126 SER H H 126 7.004 7.004 8.143 -1.139 19425 10845 1 13 . 1 1 127 127 GLY N N 127 113.322 113.322 109.415 3.907 19425 10846 1 13 . 1 1 127 127 GLY C C 127 176.428 176.428 174.294 2.134 19425 10847 1 13 . 1 1 127 127 GLY CA C 127 46.064 46.064 45.465 0.599 19425 10848 1 13 . 1 1 127 127 GLY H H 127 8.181 8.181 8.398 -0.217 19425 10849 1 13 . 1 1 128 128 MET N N 128 118.598 118.598 118.839 -0.241 19425 10850 1 13 . 1 1 128 128 MET C C 128 173.200 173.200 175.018 -1.818 19425 10851 1 13 . 1 1 128 128 MET CA C 128 55.429 55.429 56.631 -1.202 19425 10852 1 13 . 1 1 128 128 MET CB C 128 35.988 35.988 33.955 2.033 19425 10853 1 13 . 1 1 128 128 MET H H 128 7.551 7.551 7.518 0.033 19425 10854 1 13 . 1 1 129 129 TYR N N 129 116.715 116.715 114.448 2.267 19425 10855 1 13 . 1 1 129 129 TYR C C 129 172.884 172.884 175.831 -2.947 19425 10856 1 13 . 1 1 129 129 TYR CA C 129 58.658 58.658 57.165 1.493 19425 10857 1 13 . 1 1 129 129 TYR CB C 129 40.914 40.914 41.182 -0.268 19425 10858 1 13 . 1 1 129 129 TYR H H 129 8.923 8.923 8.522 0.401 19425 10859 1 13 . 1 1 130 130 LEU N N 130 123.061 123.061 124.900 -1.839 19425 10860 1 13 . 1 1 130 130 LEU C C 130 176.677 176.677 175.848 0.829 19425 10861 1 13 . 1 1 130 130 LEU CA C 130 56.311 56.311 56.259 0.052 19425 10862 1 13 . 1 1 130 130 LEU CB C 130 42.909 42.909 42.449 0.460 19425 10863 1 13 . 1 1 130 130 LEU H H 130 8.236 8.236 8.993 -0.757 19425 10864 1 13 . 1 1 131 131 CYS N N 131 126.618 126.618 125.236 1.382 19425 10865 1 13 . 1 1 131 131 CYS C C 131 177.616 177.616 173.268 4.348 19425 10866 1 13 . 1 1 131 131 CYS CA C 131 57.028 57.028 56.608 0.419 19425 10867 1 13 . 1 1 131 131 CYS CB C 131 32.339 32.339 30.928 1.411 19425 10868 1 13 . 1 1 131 131 CYS H H 131 9.516 9.516 9.306 0.210 19425 10869 1 13 . 1 1 132 132 CYS N N 132 124.860 124.860 127.318 -2.458 19425 10870 1 13 . 1 1 132 132 CYS C C 132 172.309 172.309 174.582 -2.273 19425 10871 1 13 . 1 1 132 132 CYS CA C 132 59.436 59.436 58.046 1.390 19425 10872 1 13 . 1 1 132 132 CYS CB C 132 27.383 27.383 25.954 1.429 19425 10873 1 13 . 1 1 132 132 CYS H H 132 8.142 8.142 8.350 -0.208 19425 10874 1 13 . 1 1 133 133 LEU N N 133 131.382 131.382 127.600 3.782 19425 10875 1 13 . 1 1 133 133 LEU C C 133 174.035 174.035 177.338 -3.303 19425 10876 1 13 . 1 1 133 133 LEU CA C 133 54.799 54.799 55.041 -0.242 19425 10877 1 13 . 1 1 133 133 LEU CB C 133 41.109 41.109 42.346 -1.237 19425 10878 1 13 . 1 1 133 133 LEU H H 133 9.008 9.008 8.341 0.667 19425 10879 1 13 . 1 1 134 134 SER N N 134 112.103 112.103 114.165 -2.062 19425 10880 1 13 . 1 1 134 134 SER C C 134 175.519 175.519 174.380 1.139 19425 10881 1 13 . 1 1 134 134 SER CA C 134 58.320 58.320 58.259 0.061 19425 10882 1 13 . 1 1 134 134 SER CB C 134 63.979 63.979 62.886 1.093 19425 10883 1 13 . 1 1 134 134 SER H H 134 8.229 8.229 8.445 -0.216 19425 10884 1 13 . 1 1 135 135 THR N N 135 111.693 111.693 112.487 -0.794 19425 10885 1 13 . 1 1 135 135 THR C C 135 174.535 174.535 175.252 -0.717 19425 10886 1 13 . 1 1 135 135 THR CA C 135 60.703 60.703 60.918 -0.215 19425 10887 1 13 . 1 1 135 135 THR CB C 135 70.624 70.624 70.402 0.222 19425 10888 1 13 . 1 1 135 135 THR H H 135 7.292 7.292 7.409 -0.117 19425 10889 1 13 . 1 1 136 136 SER N N 136 117.260 117.260 122.743 -5.483 19425 10890 1 13 . 1 1 136 136 SER C C 136 173.478 173.478 174.902 -1.424 19425 10891 1 13 . 1 1 136 136 SER CA C 136 57.537 57.537 60.249 -2.712 19425 10892 1 13 . 1 1 136 136 SER CB C 136 64.593 64.593 63.837 0.756 19425 10893 1 13 . 1 1 136 136 SER H H 136 8.544 8.544 9.054 -0.510 19425 10894 1 13 . 1 1 137 137 ARG N N 137 124.804 124.804 119.838 4.966 19425 10895 1 13 . 1 1 137 137 ARG C C 137 175.000 175.000 174.987 0.013 19425 10896 1 13 . 1 1 137 137 ARG CA C 137 56.922 56.922 57.203 -0.281 19425 10897 1 13 . 1 1 137 137 ARG CB C 137 30.733 30.733 28.213 2.520 19425 10898 1 13 . 1 1 137 137 ARG H H 137 9.231 9.231 8.327 0.904 19425 10899 1 13 . 1 1 138 138 SER N N 138 126.225 126.225 117.395 8.830 19425 10900 1 13 . 1 1 138 138 SER C C 138 175.871 175.871 174.033 1.838 19425 10901 1 13 . 1 1 138 138 SER CA C 138 61.891 61.891 58.458 3.433 19425 10902 1 13 . 1 1 138 138 SER CB C 138 62.730 62.730 65.088 -2.358 19425 10903 1 13 . 1 1 138 138 SER H H 138 7.891 7.891 8.240 -0.349 19425 10904 1 13 . 1 1 140 140 THR N N 140 114.799 114.799 116.606 -1.807 19425 10905 1 13 . 1 1 140 140 THR C C 140 173.756 173.756 174.042 -0.286 19425 10906 1 13 . 1 1 140 140 THR CA C 140 62.895 62.895 62.432 0.463 19425 10907 1 13 . 1 1 140 140 THR CB C 140 69.332 69.332 69.636 -0.304 19425 10908 1 13 . 1 1 140 140 THR H H 140 8.168 8.168 7.987 0.181 19425 10909 1 13 . 1 1 141 141 ASP N N 141 121.772 121.772 120.453 1.319 19425 10910 1 13 . 1 1 141 141 ASP C C 141 174.795 174.795 174.908 -0.113 19425 10911 1 13 . 1 1 141 141 ASP CA C 141 54.001 54.001 55.256 -1.255 19425 10912 1 13 . 1 1 141 141 ASP CB C 141 40.914 40.914 39.829 1.085 19425 10913 1 13 . 1 1 141 141 ASP H H 141 8.049 8.049 8.279 -0.230 19425 10914 1 13 . 1 1 142 142 LYS N N 142 121.585 121.585 119.753 1.832 19425 10915 1 13 . 1 1 142 142 LYS C C 142 176.274 176.274 176.059 0.215 19425 10916 1 13 . 1 1 142 142 LYS CA C 142 57.106 57.106 57.071 0.035 19425 10917 1 13 . 1 1 142 142 LYS CB C 142 31.369 31.369 33.138 -1.769 19425 10918 1 13 . 1 1 142 142 LYS H H 142 8.376 8.376 7.822 0.554 19425 10919 1 13 . 1 1 143 143 LEU N N 143 119.604 119.604 120.917 -1.313 19425 10920 1 13 . 1 1 143 143 LEU C C 143 176.798 176.798 176.966 -0.168 19425 10921 1 13 . 1 1 143 143 LEU CA C 143 55.261 55.261 57.903 -2.642 19425 10922 1 13 . 1 1 143 143 LEU CB C 143 41.487 41.487 41.286 0.201 19425 10923 1 13 . 1 1 143 143 LEU H H 143 8.262 8.262 8.390 -0.128 19425 10924 1 13 . 1 1 144 144 ALA N N 144 123.881 123.881 116.182 7.699 19425 10925 1 13 . 1 1 144 144 ALA C C 144 176.410 176.410 176.735 -0.325 19425 10926 1 13 . 1 1 144 144 ALA CA C 144 51.335 51.335 50.536 0.799 19425 10927 1 13 . 1 1 144 144 ALA CB C 144 20.924 20.924 20.779 0.145 19425 10928 1 13 . 1 1 144 144 ALA H H 144 7.614 7.614 7.707 -0.093 19425 10929 1 13 . 1 1 145 145 PHE N N 145 120.083 120.083 118.514 1.569 19425 10930 1 13 . 1 1 145 145 PHE C C 145 176.948 176.948 175.316 1.632 19425 10931 1 13 . 1 1 145 145 PHE CA C 145 55.872 55.872 56.746 -0.874 19425 10932 1 13 . 1 1 145 145 PHE CB C 145 42.468 42.468 41.192 1.276 19425 10933 1 13 . 1 1 145 145 PHE H H 145 8.647 8.647 8.576 0.071 19425 10934 1 13 . 1 1 146 146 ASP N N 146 119.893 119.893 119.896 -0.003 19425 10935 1 13 . 1 1 146 146 ASP C C 146 175.519 175.519 174.823 0.696 19425 10936 1 13 . 1 1 146 146 ASP CA C 146 54.679 54.679 54.469 0.210 19425 10937 1 13 . 1 1 146 146 ASP CB C 146 42.169 42.169 42.867 -0.698 19425 10938 1 13 . 1 1 146 146 ASP H H 146 8.692 8.692 8.812 -0.120 19425 10939 1 13 . 1 1 147 147 VAL N N 147 118.800 118.800 121.847 -3.047 19425 10940 1 13 . 1 1 147 147 VAL C C 147 174.053 174.053 175.561 -1.508 19425 10941 1 13 . 1 1 147 147 VAL CA C 147 60.671 60.671 61.416 -0.745 19425 10942 1 13 . 1 1 147 147 VAL CB C 147 35.326 35.326 33.014 2.312 19425 10943 1 13 . 1 1 147 147 VAL H H 147 8.224 8.224 8.584 -0.360 19425 10944 1 13 . 1 1 148 148 GLY N N 148 113.226 113.226 114.721 -1.495 19425 10945 1 13 . 1 1 148 148 GLY C C 148 175.141 175.141 172.249 2.892 19425 10946 1 13 . 1 1 148 148 GLY CA C 148 45.384 45.384 43.768 1.616 19425 10947 1 13 . 1 1 148 148 GLY H H 148 8.594 8.594 8.820 -0.226 19425 10948 1 13 . 1 1 149 149 LEU N N 149 120.880 120.880 119.592 1.288 19425 10949 1 13 . 1 1 149 149 LEU C C 149 170.973 170.973 175.915 -4.942 19425 10950 1 13 . 1 1 149 149 LEU CA C 149 53.299 53.299 53.759 -0.460 19425 10951 1 13 . 1 1 149 149 LEU CB C 149 43.938 43.938 45.468 -1.530 19425 10952 1 13 . 1 1 149 149 LEU H H 149 8.303 8.303 8.041 0.262 19425 10953 1 13 . 1 1 150 150 GLN N N 150 118.978 118.978 120.537 -1.559 19425 10954 1 13 . 1 1 150 150 GLN C C 150 177.133 177.133 175.872 1.261 19425 10955 1 13 . 1 1 150 150 GLN CA C 150 54.723 54.723 54.935 -0.212 19425 10956 1 13 . 1 1 150 150 GLN CB C 150 32.690 32.690 32.652 0.038 19425 10957 1 13 . 1 1 150 150 GLN H H 150 9.115 9.115 8.820 0.295 19425 10958 1 13 . 1 1 151 151 GLU N N 151 121.344 121.344 124.259 -2.915 19425 10959 1 13 . 1 1 151 151 GLU C C 151 175.333 175.333 176.043 -0.710 19425 10960 1 13 . 1 1 151 151 GLU CA C 151 59.140 59.140 58.489 0.651 19425 10961 1 13 . 1 1 151 151 GLU CB C 151 30.735 30.735 29.916 0.819 19425 10962 1 13 . 1 1 151 151 GLU H H 151 9.142 9.142 8.820 0.322 19425 10963 1 13 . 1 1 152 152 ASP N N 152 117.494 117.494 118.840 -1.346 19425 10964 1 13 . 1 1 152 152 ASP C C 152 176.391 176.391 176.215 0.176 19425 10965 1 13 . 1 1 152 152 ASP CA C 152 54.139 54.139 54.470 -0.331 19425 10966 1 13 . 1 1 152 152 ASP CB C 152 41.920 41.920 41.424 0.496 19425 10967 1 13 . 1 1 152 152 ASP H H 152 8.023 8.023 8.029 -0.006 19425 10968 1 13 . 1 1 153 153 THR N N 153 111.969 111.969 108.762 3.207 19425 10969 1 13 . 1 1 153 153 THR C C 153 175.964 175.964 175.044 0.920 19425 10970 1 13 . 1 1 153 153 THR CA C 153 61.894 61.894 61.933 -0.039 19425 10971 1 13 . 1 1 153 153 THR CB C 153 68.903 68.903 69.553 -0.650 19425 10972 1 13 . 1 1 153 153 THR H H 153 7.985 7.985 8.049 -0.064 19425 10973 1 13 . 1 1 154 154 THR N N 154 113.978 113.978 114.117 -0.139 19425 10974 1 13 . 1 1 154 154 THR C C 154 175.000 175.000 175.180 -0.180 19425 10975 1 13 . 1 1 154 154 THR CA C 154 62.359 62.359 63.673 -1.314 19425 10976 1 13 . 1 1 154 154 THR CB C 154 69.210 69.210 68.406 0.804 19425 10977 1 13 . 1 1 154 154 THR H H 154 7.790 7.790 7.729 0.061 19425 10978 1 13 . 1 1 155 155 GLY N N 155 108.411 108.411 114.488 -6.077 19425 10979 1 13 . 1 1 155 155 GLY C C 155 174.702 174.702 172.295 2.407 19425 10980 1 13 . 1 1 155 155 GLY CA C 155 44.737 44.737 44.880 -0.143 19425 10981 1 13 . 1 1 155 155 GLY H H 155 7.639 7.639 7.956 -0.317 19425 10982 1 13 . 1 1 156 156 GLU N N 156 118.666 118.666 120.438 -1.772 19425 10983 1 13 . 1 1 156 156 GLU C C 156 173.571 173.571 177.771 -4.200 19425 10984 1 13 . 1 1 156 156 GLU CA C 156 59.352 59.352 57.002 2.350 19425 10985 1 13 . 1 1 156 156 GLU CB C 156 31.248 31.248 30.538 0.710 19425 10986 1 13 . 1 1 156 156 GLU H H 156 8.606 8.606 8.707 -0.101 19425 10987 1 13 . 1 1 157 157 ALA N N 157 118.664 118.664 123.878 -5.214 19425 10988 1 13 . 1 1 157 157 ALA C C 157 177.727 177.727 178.243 -0.516 19425 10989 1 13 . 1 1 157 157 ALA CA C 157 55.063 55.063 54.767 0.295 19425 10990 1 13 . 1 1 157 157 ALA CB C 157 18.856 18.856 18.349 0.507 19425 10991 1 13 . 1 1 157 157 ALA H H 157 8.159 8.159 8.506 -0.347 19425 10992 1 13 . 1 1 158 158 CYS N N 158 114.681 114.681 115.165 -0.484 19425 10993 1 13 . 1 1 158 158 CYS C C 158 179.972 179.972 173.368 6.604 19425 10994 1 13 . 1 1 158 158 CYS CA C 158 57.585 57.585 57.716 -0.131 19425 10995 1 13 . 1 1 158 158 CYS CB C 158 27.977 27.977 26.105 1.872 19425 10996 1 13 . 1 1 158 158 CYS H H 158 7.973 7.973 8.306 -0.333 19425 10997 1 13 . 1 1 165 165 ALA N N 165 122.416 122.416 128.270 -5.854 19425 10998 1 13 . 1 1 165 165 ALA C C 165 176.743 176.743 177.686 -0.943 19425 10999 1 13 . 1 1 165 165 ALA CA C 165 52.390 52.390 53.956 -1.565 19425 11000 1 13 . 1 1 165 165 ALA CB C 165 20.486 20.486 19.280 1.206 19425 11001 1 13 . 1 1 165 165 ALA H H 165 8.190 8.190 8.580 -0.390 19425 11002 1 13 . 1 1 166 166 SER N N 166 111.681 111.681 111.590 0.091 19425 11003 1 13 . 1 1 166 166 SER C C 166 176.876 176.876 174.134 2.742 19425 11004 1 13 . 1 1 166 166 SER CA C 166 56.863 56.863 57.122 -0.259 19425 11005 1 13 . 1 1 166 166 SER CB C 166 65.738 65.738 64.909 0.829 19425 11006 1 13 . 1 1 166 166 SER H H 166 7.690 7.690 7.745 -0.055 19425 11007 1 13 . 1 1 167 167 LYS N N 167 121.655 121.655 120.144 1.511 19425 11008 1 13 . 1 1 167 167 LYS C C 167 175.241 175.241 176.803 -1.562 19425 11009 1 13 . 1 1 167 167 LYS CA C 167 55.297 55.297 57.308 -2.011 19425 11010 1 13 . 1 1 167 167 LYS CB C 167 31.364 31.364 32.708 -1.344 19425 11011 1 13 . 1 1 167 167 LYS H H 167 8.230 8.230 8.330 -0.100 19425 11012 1 13 . 1 1 168 168 GLN N N 168 117.832 117.832 117.572 0.260 19425 11013 1 13 . 1 1 168 168 GLN C C 168 176.836 176.836 175.977 0.859 19425 11014 1 13 . 1 1 168 168 GLN CA C 168 57.366 57.366 57.058 0.308 19425 11015 1 13 . 1 1 168 168 GLN CB C 168 28.979 28.979 28.587 0.392 19425 11016 1 13 . 1 1 168 168 GLN H H 168 8.134 8.134 8.183 -0.049 19425 11017 1 13 . 1 1 169 169 ARG N N 169 117.052 117.052 119.061 -2.009 19425 11018 1 13 . 1 1 169 169 ARG C C 169 175.946 175.946 175.416 0.530 19425 11019 1 13 . 1 1 169 169 ARG CA C 169 52.885 52.885 54.852 -1.967 19425 11020 1 13 . 1 1 169 169 ARG CB C 169 32.795 32.795 30.547 2.248 19425 11021 1 13 . 1 1 169 169 ARG H H 169 7.209 7.209 7.880 -0.671 19425 11022 1 13 . 1 1 170 170 SER N N 170 114.335 114.335 114.606 -0.271 19425 11023 1 13 . 1 1 170 170 SER C C 170 174.387 174.387 173.535 0.852 19425 11024 1 13 . 1 1 170 170 SER CA C 170 56.976 56.976 56.631 0.345 19425 11025 1 13 . 1 1 170 170 SER CB C 170 66.348 66.348 66.647 -0.298 19425 11026 1 13 . 1 1 170 170 SER H H 170 8.279 8.279 8.426 -0.147 19425 11027 1 13 . 1 1 171 171 GLU N N 171 121.428 121.428 121.513 -0.085 19425 11028 1 13 . 1 1 171 171 GLU C C 171 173.293 173.293 177.231 -3.938 19425 11029 1 13 . 1 1 171 171 GLU CA C 171 58.658 58.658 57.329 1.329 19425 11030 1 13 . 1 1 171 171 GLU CB C 171 28.693 28.693 28.707 -0.014 19425 11031 1 13 . 1 1 171 171 GLU H H 171 8.540 8.540 8.697 -0.157 19425 11032 1 13 . 1 1 172 172 GLY N N 172 113.162 113.162 115.204 -2.042 19425 11033 1 13 . 1 1 172 172 GLY C C 172 177.504 177.504 174.192 3.312 19425 11034 1 13 . 1 1 172 172 GLY CA C 172 45.452 45.452 45.021 0.431 19425 11035 1 13 . 1 1 172 172 GLY H H 172 8.676 8.676 9.019 -0.343 19425 11036 1 13 . 1 1 173 173 GLU N N 173 119.545 119.545 121.173 -1.628 19425 11037 1 13 . 1 1 173 173 GLU C C 173 173.311 173.311 176.144 -2.833 19425 11038 1 13 . 1 1 173 173 GLU CA C 173 55.689 55.689 56.275 -0.586 19425 11039 1 13 . 1 1 173 173 GLU CB C 173 31.204 31.204 30.907 0.297 19425 11040 1 13 . 1 1 173 173 GLU H H 173 7.805 7.805 7.806 -0.001 19425 11041 1 13 . 1 1 174 174 LYS N N 174 120.834 120.834 121.622 -0.788 19425 11042 1 13 . 1 1 174 174 LYS C C 174 175.352 175.352 176.730 -1.378 19425 11043 1 13 . 1 1 174 174 LYS CA C 174 57.207 57.207 56.942 0.265 19425 11044 1 13 . 1 1 174 174 LYS CB C 174 34.185 34.185 32.736 1.449 19425 11045 1 13 . 1 1 174 174 LYS H H 174 8.215 8.215 8.453 -0.238 19425 11046 1 13 . 1 1 175 175 VAL N N 175 122.529 122.529 124.300 -1.771 19425 11047 1 13 . 1 1 175 175 VAL C C 175 176.595 176.595 175.618 0.977 19425 11048 1 13 . 1 1 175 175 VAL CA C 175 63.046 63.046 61.155 1.891 19425 11049 1 13 . 1 1 175 175 VAL CB C 175 31.265 31.265 31.071 0.194 19425 11050 1 13 . 1 1 175 175 VAL H H 175 7.914 7.914 8.589 -0.675 19425 11051 1 13 . 1 1 176 176 ARG N N 176 127.622 127.622 127.864 -0.242 19425 11052 1 13 . 1 1 176 176 ARG C C 176 175.742 175.742 176.835 -1.093 19425 11053 1 13 . 1 1 176 176 ARG CA C 176 55.767 55.767 55.071 0.696 19425 11054 1 13 . 1 1 176 176 ARG CB C 176 30.480 30.480 31.250 -0.770 19425 11055 1 13 . 1 1 176 176 ARG H H 176 7.570 7.570 8.638 -1.068 19425 11056 1 13 . 1 1 177 177 VAL N N 177 122.521 122.521 122.689 -0.168 19425 11057 1 13 . 1 1 177 177 VAL C C 177 177.523 177.523 177.288 0.235 19425 11058 1 13 . 1 1 177 177 VAL CA C 177 65.322 65.322 64.257 1.065 19425 11059 1 13 . 1 1 177 177 VAL CB C 177 31.431 31.431 31.223 0.208 19425 11060 1 13 . 1 1 177 177 VAL H H 177 8.276 8.276 8.075 0.201 19425 11061 1 13 . 1 1 179 179 ASP N N 179 122.577 122.577 123.374 -0.797 19425 11062 1 13 . 1 1 179 179 ASP C C 179 174.554 174.554 175.715 -1.161 19425 11063 1 13 . 1 1 179 179 ASP CA C 179 54.687 54.687 54.686 0.001 19425 11064 1 13 . 1 1 179 179 ASP CB C 179 40.417 40.417 41.173 -0.756 19425 11065 1 13 . 1 1 179 179 ASP H H 179 7.848 7.848 7.924 -0.076 19425 11066 1 13 . 1 1 180 180 ASP N N 180 121.916 121.916 123.937 -2.021 19425 11067 1 13 . 1 1 180 180 ASP C C 180 174.610 174.610 175.726 -1.116 19425 11068 1 13 . 1 1 180 180 ASP CA C 180 54.379 54.379 54.948 -0.569 19425 11069 1 13 . 1 1 180 180 ASP CB C 180 42.178 42.178 41.020 1.157 19425 11070 1 13 . 1 1 180 180 ASP H H 180 8.521 8.521 8.509 0.012 19425 11071 1 13 . 1 1 181 181 LEU N N 181 121.499 121.499 123.605 -2.106 19425 11072 1 13 . 1 1 181 181 LEU C C 181 175.166 175.166 176.686 -1.520 19425 11073 1 13 . 1 1 181 181 LEU CA C 181 54.379 54.379 53.594 0.785 19425 11074 1 13 . 1 1 181 181 LEU CB C 181 45.395 45.395 44.655 0.740 19425 11075 1 13 . 1 1 181 181 LEU H H 181 9.782 9.782 9.062 0.720 19425 11076 1 13 . 1 1 185 185 SER N N 185 122.939 122.939 121.457 1.482 19425 11077 1 13 . 1 1 185 185 SER C C 185 175.871 175.871 175.274 0.597 19425 11078 1 13 . 1 1 185 185 SER CA C 185 57.514 57.514 57.722 -0.208 19425 11079 1 13 . 1 1 185 185 SER CB C 185 62.772 62.772 63.300 -0.528 19425 11080 1 13 . 1 1 185 185 SER H H 185 9.183 9.183 8.949 0.234 19425 11081 1 13 . 1 1 186 186 VAL N N 186 131.799 131.799 128.741 3.058 19425 11082 1 13 . 1 1 186 186 VAL C C 186 177.226 177.226 177.324 -0.098 19425 11083 1 13 . 1 1 186 186 VAL CA C 186 65.883 65.883 64.948 0.935 19425 11084 1 13 . 1 1 186 186 VAL CB C 186 31.190 31.190 31.376 -0.186 19425 11085 1 13 . 1 1 186 186 VAL H H 186 8.285 8.285 8.281 0.004 19425 11086 1 13 . 1 1 187 187 SER N N 187 110.228 110.228 113.137 -2.909 19425 11087 1 13 . 1 1 187 187 SER C C 187 177.077 177.077 175.194 1.883 19425 11088 1 13 . 1 1 187 187 SER CA C 187 60.200 60.200 60.141 0.059 19425 11089 1 13 . 1 1 187 187 SER CB C 187 62.264 62.264 63.528 -1.264 19425 11090 1 13 . 1 1 187 187 SER H H 187 7.000 7.000 7.818 -0.818 19425 11091 1 13 . 1 1 188 188 SER N N 188 115.022 115.022 114.179 0.843 19425 11092 1 13 . 1 1 188 188 SER C C 188 176.632 176.632 173.200 3.432 19425 11093 1 13 . 1 1 188 188 SER CA C 188 58.889 58.889 58.105 0.784 19425 11094 1 13 . 1 1 188 188 SER CB C 188 66.818 66.818 64.600 2.219 19425 11095 1 13 . 1 1 188 188 SER H H 188 7.886 7.886 7.558 0.328 19425 11096 1 13 . 1 1 189 189 GLU N N 189 118.477 118.477 118.250 0.227 19425 11097 1 13 . 1 1 189 189 GLU C C 189 175.000 175.000 174.912 0.088 19425 11098 1 13 . 1 1 189 189 GLU CA C 189 58.562 58.562 57.739 0.823 19425 11099 1 13 . 1 1 189 189 GLU CB C 189 27.420 27.420 27.357 0.063 19425 11100 1 13 . 1 1 189 189 GLU H H 189 7.929 7.929 8.218 -0.289 19425 11101 1 13 . 1 1 190 190 ARG N N 190 116.828 116.828 116.924 -0.096 19425 11102 1 13 . 1 1 190 190 ARG C C 190 173.868 173.868 176.050 -2.182 19425 11103 1 13 . 1 1 190 190 ARG CA C 190 54.238 54.238 54.571 -0.333 19425 11104 1 13 . 1 1 190 190 ARG CB C 190 32.141 32.141 33.074 -0.933 19425 11105 1 13 . 1 1 190 190 ARG H H 190 6.723 6.723 7.271 -0.548 19425 11106 1 13 . 1 1 191 191 TYR N N 191 118.733 118.733 121.271 -2.538 19425 11107 1 13 . 1 1 191 191 TYR C C 191 174.368 174.368 177.335 -2.967 19425 11108 1 13 . 1 1 191 191 TYR CA C 191 57.405 57.405 58.651 -1.246 19425 11109 1 13 . 1 1 191 191 TYR CB C 191 39.444 39.444 39.455 -0.011 19425 11110 1 13 . 1 1 191 191 TYR H H 191 8.912 8.912 8.984 -0.072 19425 11111 1 13 . 1 1 192 192 LEU N N 192 123.460 123.460 124.743 -1.283 19425 11112 1 13 . 1 1 192 192 LEU C C 192 176.753 176.753 176.076 0.677 19425 11113 1 13 . 1 1 192 192 LEU CA C 192 57.061 57.061 54.205 2.856 19425 11114 1 13 . 1 1 192 192 LEU CB C 192 41.351 41.351 40.557 0.794 19425 11115 1 13 . 1 1 192 192 LEU H H 192 8.836 8.836 8.873 -0.037 19425 11116 1 13 . 1 1 193 193 HIS N N 193 134.195 134.195 125.184 9.011 19425 11117 1 13 . 1 1 193 193 HIS C C 193 178.766 178.766 174.381 4.385 19425 11118 1 13 . 1 1 193 193 HIS CA C 193 56.349 56.349 56.132 0.217 19425 11119 1 13 . 1 1 193 193 HIS CB C 193 31.613 31.613 31.762 -0.149 19425 11120 1 13 . 1 1 193 193 HIS H H 193 10.227 10.227 8.938 1.289 19425 11121 1 13 . 1 1 194 194 LEU N N 194 128.500 128.500 127.398 1.102 19425 11122 1 13 . 1 1 194 194 LEU C C 194 170.268 170.268 175.265 -4.997 19425 11123 1 13 . 1 1 194 194 LEU CA C 194 54.139 54.139 53.683 0.456 19425 11124 1 13 . 1 1 194 194 LEU CB C 194 44.036 44.036 43.714 0.322 19425 11125 1 13 . 1 1 194 194 LEU H H 194 7.784 7.784 7.564 0.220 19425 11126 1 13 . 1 1 195 195 SER N N 195 122.195 122.195 122.491 -0.296 19425 11127 1 13 . 1 1 195 195 SER C C 195 174.740 174.740 173.453 1.287 19425 11128 1 13 . 1 1 195 195 SER CA C 195 56.814 56.814 57.134 -0.320 19425 11129 1 13 . 1 1 195 195 SER CB C 195 66.260 66.260 65.952 0.308 19425 11130 1 13 . 1 1 195 195 SER H H 195 9.042 9.042 9.013 0.029 19425 11131 1 13 . 1 1 196 196 TYR N N 196 124.809 124.809 125.884 -1.075 19425 11132 1 13 . 1 1 196 196 TYR C C 196 172.439 172.439 175.666 -3.227 19425 11133 1 13 . 1 1 196 196 TYR CA C 196 57.019 57.019 56.815 0.205 19425 11134 1 13 . 1 1 196 196 TYR CB C 196 39.817 39.817 38.331 1.486 19425 11135 1 13 . 1 1 196 196 TYR H H 196 8.657 8.657 8.867 -0.210 19425 11136 1 13 . 1 1 197 197 GLY N N 197 114.111 114.111 115.069 -0.958 19425 11137 1 13 . 1 1 197 197 GLY C C 197 176.113 176.113 174.307 1.806 19425 11138 1 13 . 1 1 197 197 GLY CA C 197 45.492 45.492 44.058 1.434 19425 11139 1 13 . 1 1 197 197 GLY H H 197 8.030 8.030 8.222 -0.192 19425 11140 1 13 . 1 1 200 200 SER N N 200 113.158 113.158 115.095 -1.937 19425 11141 1 13 . 1 1 200 200 SER C C 200 172.661 172.661 172.046 0.615 19425 11142 1 13 . 1 1 200 200 SER CA C 200 56.890 56.890 56.461 0.429 19425 11143 1 13 . 1 1 200 200 SER CB C 200 65.522 65.522 65.114 0.408 19425 11144 1 13 . 1 1 200 200 SER H H 200 6.893 6.893 7.258 -0.365 19425 11145 1 13 . 1 1 201 201 TRP N N 201 122.521 122.521 119.784 2.737 19425 11146 1 13 . 1 1 201 201 TRP C C 201 171.813 171.813 175.868 -4.055 19425 11147 1 13 . 1 1 201 201 TRP CA C 201 56.990 56.990 56.080 0.910 19425 11148 1 13 . 1 1 201 201 TRP CB C 201 31.501 31.501 31.899 -0.398 19425 11149 1 13 . 1 1 201 201 TRP H H 201 8.243 8.243 8.218 0.025 19425 11150 1 13 . 1 1 202 202 HIS N N 202 121.171 121.171 118.460 2.711 19425 11151 1 13 . 1 1 202 202 HIS C C 202 173.805 173.805 173.628 0.177 19425 11152 1 13 . 1 1 202 202 HIS CA C 202 55.169 55.169 54.644 0.525 19425 11153 1 13 . 1 1 202 202 HIS CB C 202 32.254 32.254 34.544 -2.291 19425 11154 1 13 . 1 1 202 202 HIS H H 202 9.383 9.383 9.405 -0.022 19425 11155 1 13 . 1 1 203 203 VAL N N 203 119.943 119.943 120.398 -0.455 19425 11156 1 13 . 1 1 203 203 VAL C C 203 172.439 172.439 174.204 -1.765 19425 11157 1 13 . 1 1 203 203 VAL CA C 203 58.683 58.683 59.695 -1.012 19425 11158 1 13 . 1 1 203 203 VAL CB C 203 33.957 33.957 34.381 -0.424 19425 11159 1 13 . 1 1 203 203 VAL H H 203 8.649 8.649 8.865 -0.216 19425 11160 1 13 . 1 1 204 204 ASP N N 204 127.907 127.907 126.330 1.577 19425 11161 1 13 . 1 1 204 204 ASP C C 204 173.162 173.162 173.686 -0.524 19425 11162 1 13 . 1 1 204 204 ASP CA C 204 53.545 53.545 52.989 0.556 19425 11163 1 13 . 1 1 204 204 ASP CB C 204 42.169 42.169 44.315 -2.146 19425 11164 1 13 . 1 1 204 204 ASP H H 204 9.822 9.822 8.987 0.835 19425 11165 1 13 . 1 1 205 205 ALA N N 205 121.047 121.047 121.088 -0.041 19425 11166 1 13 . 1 1 205 205 ALA C C 205 172.754 172.754 176.196 -3.442 19425 11167 1 13 . 1 1 205 205 ALA CA C 205 50.147 50.147 50.557 -0.410 19425 11168 1 13 . 1 1 205 205 ALA CB C 205 19.642 19.642 19.484 0.158 19425 11169 1 13 . 1 1 205 205 ALA H H 205 9.176 9.176 8.431 0.745 19425 11170 1 13 . 1 1 206 206 ALA N N 206 127.318 127.318 126.201 1.117 19425 11171 1 13 . 1 1 206 206 ALA C C 206 176.465 176.465 175.907 0.558 19425 11172 1 13 . 1 1 206 206 ALA CA C 206 50.609 50.609 50.390 0.219 19425 11173 1 13 . 1 1 206 206 ALA CB C 206 23.819 23.819 21.787 2.032 19425 11174 1 13 . 1 1 206 206 ALA H H 206 9.088 9.088 8.032 1.056 19425 11175 1 13 . 1 1 207 207 PHE N N 207 117.878 117.878 117.082 0.796 19425 11176 1 13 . 1 1 207 207 PHE C C 207 176.576 176.576 175.708 0.868 19425 11177 1 13 . 1 1 207 207 PHE CA C 207 59.714 59.714 58.721 0.993 19425 11178 1 13 . 1 1 207 207 PHE CB C 207 38.239 38.239 38.839 -0.600 19425 11179 1 13 . 1 1 207 207 PHE H H 207 8.953 8.953 8.489 0.464 19425 11180 1 13 . 1 1 208 208 GLN N N 208 117.531 117.531 117.205 0.326 19425 11181 1 13 . 1 1 208 208 GLN C C 208 175.166 175.166 175.295 -0.129 19425 11182 1 13 . 1 1 208 208 GLN CA C 208 55.096 55.096 54.050 1.046 19425 11183 1 13 . 1 1 208 208 GLN CB C 208 30.437 30.437 30.873 -0.436 19425 11184 1 13 . 1 1 208 208 GLN H H 208 6.613 6.613 7.740 -1.127 19425 11185 1 13 . 1 1 209 209 GLN N N 209 117.318 117.318 122.281 -4.963 19425 11186 1 13 . 1 1 209 209 GLN C C 209 173.162 173.162 175.797 -2.635 19425 11187 1 13 . 1 1 209 209 GLN CA C 209 56.217 56.217 56.687 -0.470 19425 11188 1 13 . 1 1 209 209 GLN CB C 209 29.912 29.912 29.459 0.453 19425 11189 1 13 . 1 1 209 209 GLN H H 209 8.108 8.108 8.355 -0.247 19425 11190 1 13 . 1 1 210 210 THR N N 210 116.616 116.616 113.669 2.947 19425 11191 1 13 . 1 1 210 210 THR C C 210 176.150 176.150 172.659 3.491 19425 11192 1 13 . 1 1 210 210 THR CA C 210 62.848 62.848 61.515 1.333 19425 11193 1 13 . 1 1 210 210 THR CB C 210 73.244 73.244 70.218 3.026 19425 11194 1 13 . 1 1 210 210 THR H H 210 6.641 6.641 8.209 -1.568 19425 11195 1 13 . 1 1 211 211 LEU N N 211 126.776 126.776 127.083 -0.307 19425 11196 1 13 . 1 1 211 211 LEU C C 211 171.418 171.418 175.631 -4.213 19425 11197 1 13 . 1 1 211 211 LEU CA C 211 55.012 55.012 54.694 0.318 19425 11198 1 13 . 1 1 211 211 LEU CB C 211 41.627 41.627 42.503 -0.876 19425 11199 1 13 . 1 1 211 211 LEU H H 211 8.418 8.418 8.428 -0.010 19425 11200 1 13 . 1 1 212 212 TRP N N 212 124.678 124.678 123.999 0.679 19425 11201 1 13 . 1 1 212 212 TRP C C 212 175.742 175.742 175.918 -0.176 19425 11202 1 13 . 1 1 212 212 TRP CA C 212 56.052 56.052 55.385 0.667 19425 11203 1 13 . 1 1 212 212 TRP CB C 212 31.169 31.169 32.178 -1.008 19425 11204 1 13 . 1 1 212 212 TRP H H 212 9.462 9.462 9.167 0.295 19425 11205 1 13 . 1 1 213 213 SER N N 213 118.197 118.197 118.239 -0.042 19425 11206 1 13 . 1 1 213 213 SER C C 213 175.575 175.575 174.491 1.084 19425 11207 1 13 . 1 1 213 213 SER CA C 213 57.141 57.141 56.775 0.366 19425 11208 1 13 . 1 1 213 213 SER CB C 213 64.800 64.800 63.001 1.799 19425 11209 1 13 . 1 1 213 213 SER H H 213 9.642 9.642 9.217 0.425 19425 11210 1 13 . 1 1 214 214 VAL N N 214 125.581 125.581 130.567 -4.986 19425 11211 1 13 . 1 1 214 214 VAL C C 214 174.183 174.183 174.595 -0.412 19425 11212 1 13 . 1 1 214 214 VAL CA C 214 61.398 61.398 61.849 -0.451 19425 11213 1 13 . 1 1 214 214 VAL CB C 214 32.502 32.502 31.931 0.571 19425 11214 1 13 . 1 1 214 214 VAL H H 214 8.433 8.433 8.170 0.263 19425 11215 1 13 . 1 1 215 215 ALA N N 215 130.074 130.074 131.219 -1.145 19425 11216 1 13 . 1 1 215 215 ALA C C 215 174.647 174.647 174.290 0.357 19425 11217 1 13 . 1 1 215 215 ALA CA C 215 49.058 49.058 48.476 0.582 19425 11218 1 13 . 1 1 215 215 ALA CB C 215 20.299 20.299 20.410 -0.111 19425 11219 1 13 . 1 1 215 215 ALA H H 215 8.572 8.572 8.362 0.210 19425 11220 1 14 . 1 1 13 13 PHE N N 13 122.001 122.001 121.190 0.811 19425 11221 1 14 . 1 1 13 13 PHE C C 13 174.608 174.608 175.764 -1.156 19425 11222 1 14 . 1 1 13 13 PHE CA C 13 56.445 56.445 55.992 0.453 19425 11223 1 14 . 1 1 13 13 PHE CB C 13 41.650 41.650 42.017 -0.367 19425 11224 1 14 . 1 1 13 13 PHE H H 13 8.209 8.209 8.217 -0.008 19425 11225 1 14 . 1 1 14 14 LEU N N 14 122.475 122.475 123.717 -1.242 19425 11226 1 14 . 1 1 14 14 LEU C C 14 175.630 175.630 176.010 -0.380 19425 11227 1 14 . 1 1 14 14 LEU CA C 14 55.024 55.024 54.935 0.089 19425 11228 1 14 . 1 1 14 14 LEU CB C 14 43.987 43.987 42.017 1.970 19425 11229 1 14 . 1 1 14 14 LEU H H 14 8.264 8.264 8.999 -0.735 19425 11230 1 14 . 1 1 15 15 ARG N N 15 121.510 121.510 122.843 -1.333 19425 11231 1 14 . 1 1 15 15 ARG C C 15 175.630 175.630 177.178 -1.548 19425 11232 1 14 . 1 1 15 15 ARG CA C 15 54.007 54.007 52.688 1.319 19425 11233 1 14 . 1 1 15 15 ARG CB C 15 34.536 34.536 32.702 1.834 19425 11234 1 14 . 1 1 15 15 ARG H H 15 8.653 8.653 8.240 0.413 19425 11235 1 14 . 1 1 16 16 THR N N 16 110.840 110.840 113.683 -2.843 19425 11236 1 14 . 1 1 16 16 THR C C 16 175.946 175.946 174.995 0.951 19425 11237 1 14 . 1 1 16 16 THR CA C 16 62.950 62.950 63.100 -0.150 19425 11238 1 14 . 1 1 16 16 THR CB C 16 69.276 69.276 69.101 0.175 19425 11239 1 14 . 1 1 16 16 THR H H 16 8.815 8.815 8.422 0.393 19425 11240 1 14 . 1 1 17 17 ASP N N 17 114.036 114.036 118.640 -4.604 19425 11241 1 14 . 1 1 17 17 ASP C C 17 175.686 175.686 174.982 0.704 19425 11242 1 14 . 1 1 17 17 ASP CA C 17 57.735 57.735 56.880 0.855 19425 11243 1 14 . 1 1 17 17 ASP CB C 17 39.928 39.928 40.266 -0.338 19425 11244 1 14 . 1 1 17 17 ASP H H 17 9.241 9.241 8.737 0.504 19425 11245 1 14 . 1 1 18 18 ASP N N 18 122.062 122.062 120.524 1.538 19425 11246 1 14 . 1 1 18 18 ASP C C 18 175.946 175.946 175.811 0.135 19425 11247 1 14 . 1 1 18 18 ASP CA C 18 56.214 56.214 54.547 1.667 19425 11248 1 14 . 1 1 18 18 ASP CB C 18 40.985 40.985 41.632 -0.647 19425 11249 1 14 . 1 1 18 18 ASP H H 18 8.035 8.035 7.500 0.535 19425 11250 1 14 . 1 1 19 19 GLU N N 19 122.006 122.006 123.713 -1.707 19425 11251 1 14 . 1 1 19 19 GLU C C 19 175.055 175.055 175.981 -0.926 19425 11252 1 14 . 1 1 19 19 GLU CA C 19 55.262 55.262 56.300 -1.038 19425 11253 1 14 . 1 1 19 19 GLU CB C 19 30.712 30.712 30.402 0.310 19425 11254 1 14 . 1 1 19 19 GLU H H 19 8.274 8.274 8.603 -0.329 19425 11255 1 14 . 1 1 20 20 VAL N N 20 118.214 118.214 121.669 -3.455 19425 11256 1 14 . 1 1 20 20 VAL C C 20 176.855 176.855 173.701 3.154 19425 11257 1 14 . 1 1 20 20 VAL CA C 20 59.054 59.054 58.865 0.189 19425 11258 1 14 . 1 1 20 20 VAL CB C 20 36.780 36.780 36.271 0.509 19425 11259 1 14 . 1 1 20 20 VAL H H 20 9.779 9.779 9.156 0.623 19425 11260 1 14 . 1 1 21 21 VAL N N 21 115.443 115.443 115.128 0.315 19425 11261 1 14 . 1 1 21 21 VAL C C 21 173.830 173.830 173.959 -0.129 19425 11262 1 14 . 1 1 21 21 VAL CA C 21 60.308 60.308 59.279 1.028 19425 11263 1 14 . 1 1 21 21 VAL CB C 21 34.625 34.625 34.991 -0.366 19425 11264 1 14 . 1 1 21 21 VAL H H 21 8.167 8.167 8.510 -0.343 19425 11265 1 14 . 1 1 22 22 LEU N N 22 128.072 128.072 127.175 0.897 19425 11266 1 14 . 1 1 22 22 LEU C C 22 174.858 174.858 175.898 -1.040 19425 11267 1 14 . 1 1 22 22 LEU CA C 22 55.656 55.656 54.165 1.491 19425 11268 1 14 . 1 1 22 22 LEU CB C 22 42.545 42.545 42.203 0.342 19425 11269 1 14 . 1 1 22 22 LEU H H 22 10.103 10.103 8.884 1.219 19425 11270 1 14 . 1 1 23 23 GLN N N 23 120.609 120.609 123.015 -2.406 19425 11271 1 14 . 1 1 23 23 GLN C C 23 175.500 175.500 174.747 0.753 19425 11272 1 14 . 1 1 23 23 GLN CA C 23 53.710 53.710 54.515 -0.805 19425 11273 1 14 . 1 1 23 23 GLN CB C 23 33.697 33.697 33.411 0.286 19425 11274 1 14 . 1 1 23 23 GLN H H 23 9.119 9.119 8.745 0.374 19425 11275 1 14 . 1 1 24 24 CYS N N 24 118.659 118.659 120.853 -2.194 19425 11276 1 14 . 1 1 24 24 CYS C C 24 174.443 174.443 173.174 1.269 19425 11277 1 14 . 1 1 24 24 CYS CA C 24 55.261 55.261 55.783 -0.522 19425 11278 1 14 . 1 1 24 24 CYS CB C 24 30.302 30.302 30.372 -0.070 19425 11279 1 14 . 1 1 24 24 CYS H H 24 8.993 8.993 9.157 -0.164 19425 11280 1 14 . 1 1 25 25 THR N N 25 116.266 116.266 122.487 -6.221 19425 11281 1 14 . 1 1 25 25 THR C C 25 172.457 172.457 173.360 -0.903 19425 11282 1 14 . 1 1 25 25 THR CA C 25 61.858 61.858 62.584 -0.725 19425 11283 1 14 . 1 1 25 25 THR CB C 25 70.271 70.271 69.360 0.911 19425 11284 1 14 . 1 1 25 25 THR H H 25 8.480 8.480 8.575 -0.095 19425 11285 1 14 . 1 1 26 26 ALA N N 26 129.739 129.739 130.853 -1.114 19425 11286 1 14 . 1 1 26 26 ALA C C 26 172.717 172.717 175.184 -2.467 19425 11287 1 14 . 1 1 26 26 ALA CA C 26 50.642 50.642 50.171 0.471 19425 11288 1 14 . 1 1 26 26 ALA CB C 26 21.315 21.315 20.141 1.174 19425 11289 1 14 . 1 1 26 26 ALA H H 26 8.590 8.590 8.702 -0.112 19425 11290 1 14 . 1 1 27 27 THR N N 27 116.574 116.574 118.867 -2.293 19425 11291 1 14 . 1 1 27 27 THR C C 27 173.181 173.181 173.677 -0.496 19425 11292 1 14 . 1 1 27 27 THR CA C 27 61.919 61.919 61.376 0.543 19425 11293 1 14 . 1 1 27 27 THR CB C 27 69.696 69.696 70.779 -1.083 19425 11294 1 14 . 1 1 27 27 THR H H 27 8.110 8.110 8.253 -0.143 19425 11295 1 14 . 1 1 28 28 ILE N N 28 126.342 126.342 125.054 1.288 19425 11296 1 14 . 1 1 28 28 ILE C C 28 173.793 173.793 174.573 -0.780 19425 11297 1 14 . 1 1 28 28 ILE CA C 28 60.407 60.407 61.464 -1.057 19425 11298 1 14 . 1 1 28 28 ILE CB C 28 39.536 39.536 40.424 -0.888 19425 11299 1 14 . 1 1 28 28 ILE H H 28 8.483 8.483 8.987 -0.504 19425 11300 1 14 . 1 1 29 29 HIS N N 29 126.364 126.364 123.930 2.434 19425 11301 1 14 . 1 1 29 29 HIS C C 29 175.259 175.259 174.269 0.990 19425 11302 1 14 . 1 1 29 29 HIS CA C 29 57.174 57.174 57.098 0.076 19425 11303 1 14 . 1 1 29 29 HIS CB C 29 28.029 28.029 27.751 0.278 19425 11304 1 14 . 1 1 29 29 HIS H H 29 9.110 9.110 8.560 0.550 19425 11305 1 14 . 1 1 31 31 GLU N N 31 120.962 120.962 118.831 2.131 19425 11306 1 14 . 1 1 31 31 GLU C C 31 175.575 175.575 174.315 1.260 19425 11307 1 14 . 1 1 31 31 GLU CA C 31 55.394 55.394 55.092 0.302 19425 11308 1 14 . 1 1 31 31 GLU CB C 31 31.576 31.576 33.086 -1.510 19425 11309 1 14 . 1 1 31 31 GLU H H 31 8.047 8.047 7.714 0.333 19425 11310 1 14 . 1 1 32 32 GLN N N 32 123.171 123.171 123.746 -0.575 19425 11311 1 14 . 1 1 32 32 GLN C C 32 175.185 175.185 174.439 0.746 19425 11312 1 14 . 1 1 32 32 GLN CA C 32 54.496 54.496 54.366 0.130 19425 11313 1 14 . 1 1 32 32 GLN CB C 32 30.054 30.054 31.731 -1.677 19425 11314 1 14 . 1 1 32 32 GLN H H 32 8.646 8.646 8.645 0.001 19425 11315 1 14 . 1 1 33 33 GLN N N 33 123.530 123.530 119.266 4.264 19425 11316 1 14 . 1 1 33 33 GLN C C 33 175.667 175.667 173.480 2.187 19425 11317 1 14 . 1 1 33 33 GLN CA C 33 54.616 54.616 55.091 -0.475 19425 11318 1 14 . 1 1 33 33 GLN CB C 33 31.748 31.748 32.239 -0.491 19425 11319 1 14 . 1 1 33 33 GLN H H 33 8.839 8.839 8.713 0.126 19425 11320 1 14 . 1 1 34 34 LYS N N 34 124.601 124.601 120.462 4.139 19425 11321 1 14 . 1 1 34 34 LYS C C 34 173.812 173.812 174.933 -1.121 19425 11322 1 14 . 1 1 34 34 LYS CA C 34 55.755 55.755 55.212 0.543 19425 11323 1 14 . 1 1 34 34 LYS CB C 34 32.712 32.712 36.045 -3.333 19425 11324 1 14 . 1 1 34 34 LYS H H 34 8.589 8.589 8.424 0.165 19425 11325 1 14 . 1 1 35 35 LEU N N 35 126.071 126.071 122.710 3.361 19425 11326 1 14 . 1 1 35 35 LEU C C 35 175.445 175.445 175.443 0.002 19425 11327 1 14 . 1 1 35 35 LEU CA C 35 53.347 53.347 53.029 0.318 19425 11328 1 14 . 1 1 35 35 LEU CB C 35 44.943 44.943 46.110 -1.167 19425 11329 1 14 . 1 1 35 35 LEU H H 35 8.794 8.794 8.496 0.298 19425 11330 1 14 . 1 1 36 36 CYS N N 36 118.373 118.373 122.108 -3.735 19425 11331 1 14 . 1 1 36 36 CYS C C 36 176.057 176.057 174.519 1.538 19425 11332 1 14 . 1 1 36 36 CYS CA C 36 57.174 57.174 56.652 0.522 19425 11333 1 14 . 1 1 36 36 CYS CB C 36 30.306 30.306 29.654 0.652 19425 11334 1 14 . 1 1 36 36 CYS H H 36 9.042 9.042 8.819 0.223 19425 11335 1 14 . 1 1 37 37 LEU N N 37 129.256 129.256 129.416 -0.160 19425 11336 1 14 . 1 1 37 37 LEU C C 37 174.090 174.090 174.988 -0.898 19425 11337 1 14 . 1 1 37 37 LEU CA C 37 56.349 56.349 55.587 0.762 19425 11338 1 14 . 1 1 37 37 LEU CB C 37 42.689 42.689 42.292 0.397 19425 11339 1 14 . 1 1 37 37 LEU H H 37 8.811 8.811 8.886 -0.075 19425 11340 1 14 . 1 1 38 38 ALA N N 38 127.229 127.229 128.417 -1.188 19425 11341 1 14 . 1 1 38 38 ALA C C 38 174.517 174.517 175.141 -0.624 19425 11342 1 14 . 1 1 38 38 ALA CA C 38 50.609 50.609 49.434 1.175 19425 11343 1 14 . 1 1 38 38 ALA CB C 38 24.141 24.141 22.365 1.776 19425 11344 1 14 . 1 1 38 38 ALA H H 38 8.879 8.879 8.627 0.252 19425 11345 1 14 . 1 1 39 39 ALA N N 39 117.076 117.076 119.987 -2.911 19425 11346 1 14 . 1 1 39 39 ALA C C 39 174.665 174.665 174.702 -0.037 19425 11347 1 14 . 1 1 39 39 ALA CA C 39 51.500 51.500 51.694 -0.194 19425 11348 1 14 . 1 1 39 39 ALA CB C 39 20.996 20.996 21.482 -0.486 19425 11349 1 14 . 1 1 39 39 ALA H H 39 6.837 6.837 7.706 -0.869 19425 11350 1 14 . 1 1 40 40 GLU N N 40 119.966 119.966 117.932 2.034 19425 11351 1 14 . 1 1 40 40 GLU C C 40 176.205 176.205 175.971 0.234 19425 11352 1 14 . 1 1 40 40 GLU CA C 40 55.950 55.950 54.628 1.322 19425 11353 1 14 . 1 1 40 40 GLU CB C 40 31.836 31.836 32.709 -0.873 19425 11354 1 14 . 1 1 40 40 GLU H H 40 8.413 8.413 8.721 -0.308 19425 11355 1 14 . 1 1 41 41 GLY N N 41 108.646 108.646 107.445 1.201 19425 11356 1 14 . 1 1 41 41 GLY C C 41 176.892 176.892 173.533 3.359 19425 11357 1 14 . 1 1 41 41 GLY CA C 41 45.628 45.628 44.709 0.919 19425 11358 1 14 . 1 1 41 41 GLY H H 41 8.463 8.463 8.850 -0.387 19425 11359 1 14 . 1 1 43 43 GLY N N 43 109.557 109.557 112.942 -3.385 19425 11360 1 14 . 1 1 43 43 GLY C C 43 176.465 176.465 174.203 2.262 19425 11361 1 14 . 1 1 43 43 GLY CA C 43 45.397 45.397 45.430 -0.033 19425 11362 1 14 . 1 1 43 43 GLY H H 43 8.510 8.510 7.759 0.751 19425 11363 1 14 . 1 1 44 44 ASN N N 44 116.850 116.850 122.572 -5.722 19425 11364 1 14 . 1 1 44 44 ASN C C 44 173.830 173.830 175.359 -1.529 19425 11365 1 14 . 1 1 44 44 ASN CA C 44 54.184 54.184 52.619 1.565 19425 11366 1 14 . 1 1 44 44 ASN CB C 44 38.252 38.252 38.297 -0.045 19425 11367 1 14 . 1 1 44 44 ASN H H 44 8.028 8.028 8.675 -0.647 19425 11368 1 14 . 1 1 45 45 ARG N N 45 118.226 118.226 115.940 2.286 19425 11369 1 14 . 1 1 45 45 ARG C C 45 174.072 174.072 174.226 -0.154 19425 11370 1 14 . 1 1 45 45 ARG CA C 45 56.077 56.077 57.260 -1.183 19425 11371 1 14 . 1 1 45 45 ARG CB C 45 31.231 31.231 27.497 3.735 19425 11372 1 14 . 1 1 45 45 ARG H H 45 7.759 7.759 7.529 0.230 19425 11373 1 14 . 1 1 46 46 LEU N N 46 124.643 124.643 118.984 5.659 19425 11374 1 14 . 1 1 46 46 LEU C C 46 176.447 176.447 177.021 -0.574 19425 11375 1 14 . 1 1 46 46 LEU CA C 46 54.667 54.667 54.175 0.492 19425 11376 1 14 . 1 1 46 46 LEU CB C 46 42.605 42.605 43.055 -0.450 19425 11377 1 14 . 1 1 46 46 LEU H H 46 8.695 8.695 7.682 1.013 19425 11378 1 14 . 1 1 47 47 CYS N N 47 119.241 119.241 120.491 -1.250 19425 11379 1 14 . 1 1 47 47 CYS C C 47 176.651 176.651 175.043 1.608 19425 11380 1 14 . 1 1 47 47 CYS CA C 47 55.885 55.885 59.010 -3.125 19425 11381 1 14 . 1 1 47 47 CYS CB C 47 31.112 31.112 26.900 4.212 19425 11382 1 14 . 1 1 47 47 CYS H H 47 9.007 9.007 8.582 0.425 19425 11383 1 14 . 1 1 48 48 PHE N N 48 114.081 114.081 118.480 -4.399 19425 11384 1 14 . 1 1 48 48 PHE C C 48 170.342 170.342 173.037 -2.695 19425 11385 1 14 . 1 1 48 48 PHE CA C 48 57.405 57.405 55.848 1.557 19425 11386 1 14 . 1 1 48 48 PHE CB C 48 43.263 43.263 40.141 3.122 19425 11387 1 14 . 1 1 48 48 PHE H H 48 8.647 8.647 8.519 0.128 19425 11388 1 14 . 1 1 49 49 LEU N N 49 122.287 122.287 119.264 3.023 19425 11389 1 14 . 1 1 49 49 LEU C C 49 176.236 176.236 176.150 0.086 19425 11390 1 14 . 1 1 49 49 LEU CA C 49 53.285 53.285 53.825 -0.540 19425 11391 1 14 . 1 1 49 49 LEU CB C 49 42.907 42.907 45.514 -2.607 19425 11392 1 14 . 1 1 49 49 LEU H H 49 9.108 9.108 8.831 0.277 19425 11393 1 14 . 1 1 50 50 GLU N N 50 123.206 123.206 122.915 0.291 19425 11394 1 14 . 1 1 50 50 GLU C C 50 177.671 177.671 175.517 2.154 19425 11395 1 14 . 1 1 50 50 GLU CA C 50 57.084 57.084 54.795 2.289 19425 11396 1 14 . 1 1 50 50 GLU CB C 50 30.123 30.123 33.139 -3.016 19425 11397 1 14 . 1 1 50 50 GLU H H 50 8.834 8.834 8.788 0.046 19425 11398 1 14 . 1 1 51 51 SER N N 51 118.500 118.500 120.593 -2.093 19425 11399 1 14 . 1 1 51 51 SER C C 51 176.706 176.706 175.214 1.492 19425 11400 1 14 . 1 1 51 51 SER CA C 51 58.560 58.560 57.674 0.886 19425 11401 1 14 . 1 1 51 51 SER CB C 51 63.979 63.979 64.166 -0.187 19425 11402 1 14 . 1 1 51 51 SER H H 51 8.461 8.461 8.745 -0.284 19425 11403 1 14 . 1 1 52 52 THR N N 52 116.205 116.205 115.405 0.800 19425 11404 1 14 . 1 1 52 52 THR C C 52 174.808 174.808 175.255 -0.447 19425 11405 1 14 . 1 1 52 52 THR CA C 52 61.891 61.891 60.440 1.451 19425 11406 1 14 . 1 1 52 52 THR CB C 52 70.076 70.076 70.852 -0.776 19425 11407 1 14 . 1 1 52 52 THR H H 52 8.199 8.199 8.237 -0.038 19425 11408 1 14 . 1 1 65 65 CYS N N 65 117.553 117.553 119.777 -2.224 19425 11409 1 14 . 1 1 65 65 CYS C C 65 176.948 176.948 174.413 2.535 19425 11410 1 14 . 1 1 65 65 CYS CA C 65 57.900 57.900 56.317 1.583 19425 11411 1 14 . 1 1 65 65 CYS CB C 65 30.290 30.290 27.335 2.955 19425 11412 1 14 . 1 1 65 65 CYS H H 65 7.539 7.539 7.671 -0.132 19425 11413 1 14 . 1 1 66 66 THR N N 66 113.614 113.614 119.105 -5.491 19425 11414 1 14 . 1 1 66 66 THR C C 66 180.325 180.325 173.427 6.898 19425 11415 1 14 . 1 1 66 66 THR CA C 66 63.399 63.399 64.047 -0.648 19425 11416 1 14 . 1 1 66 66 THR CB C 66 69.281 69.281 68.932 0.349 19425 11417 1 14 . 1 1 66 66 THR H H 66 6.851 6.851 7.293 -0.442 19425 11418 1 14 . 1 1 67 67 PHE N N 67 126.248 126.248 125.081 1.167 19425 11419 1 14 . 1 1 67 67 PHE C C 67 174.424 174.424 174.096 0.328 19425 11420 1 14 . 1 1 67 67 PHE CA C 67 56.184 56.184 56.899 -0.715 19425 11421 1 14 . 1 1 67 67 PHE CB C 67 43.291 43.291 44.192 -0.901 19425 11422 1 14 . 1 1 67 67 PHE H H 67 9.603 9.603 9.274 0.329 19425 11423 1 14 . 1 1 68 68 VAL N N 68 121.310 121.310 118.948 2.362 19425 11424 1 14 . 1 1 68 68 VAL C C 68 173.719 173.719 175.526 -1.807 19425 11425 1 14 . 1 1 68 68 VAL CA C 68 60.935 60.935 61.098 -0.163 19425 11426 1 14 . 1 1 68 68 VAL CB C 68 34.522 34.522 34.254 0.268 19425 11427 1 14 . 1 1 68 68 VAL H H 68 9.968 9.968 8.609 1.359 19425 11428 1 14 . 1 1 69 69 LEU N N 69 127.011 127.011 128.755 -1.744 19425 11429 1 14 . 1 1 69 69 LEU C C 69 177.152 177.152 177.825 -0.673 19425 11430 1 14 . 1 1 69 69 LEU CA C 69 53.083 53.083 54.511 -1.428 19425 11431 1 14 . 1 1 69 69 LEU CB C 69 39.652 39.652 39.299 0.353 19425 11432 1 14 . 1 1 69 69 LEU H H 69 8.135 8.135 8.686 -0.551 19425 11433 1 14 . 1 1 70 70 GLU N N 70 129.683 129.683 121.811 7.872 19425 11434 1 14 . 1 1 70 70 GLU C C 70 174.869 174.869 176.952 -2.083 19425 11435 1 14 . 1 1 70 70 GLU CA C 70 59.747 59.747 59.226 0.521 19425 11436 1 14 . 1 1 70 70 GLU CB C 70 31.291 31.291 29.934 1.357 19425 11437 1 14 . 1 1 70 70 GLU H H 70 8.654 8.654 8.282 0.372 19425 11438 1 14 . 1 1 71 71 GLN N N 71 110.287 110.287 116.918 -6.631 19425 11439 1 14 . 1 1 71 71 GLN C C 71 176.094 176.094 175.011 1.083 19425 11440 1 14 . 1 1 71 71 GLN CA C 71 54.030 54.030 54.570 -0.540 19425 11441 1 14 . 1 1 71 71 GLN CB C 71 33.112 33.112 32.633 0.479 19425 11442 1 14 . 1 1 71 71 GLN H H 71 7.318 7.318 7.601 -0.283 19425 11443 1 14 . 1 1 72 72 SER N N 72 116.205 116.205 116.867 -0.662 19425 11444 1 14 . 1 1 72 72 SER C C 72 174.035 174.035 173.635 0.400 19425 11445 1 14 . 1 1 72 72 SER CA C 72 58.132 58.132 58.533 -0.401 19425 11446 1 14 . 1 1 72 72 SER CB C 72 64.295 64.295 63.313 0.982 19425 11447 1 14 . 1 1 72 72 SER H H 72 8.380 8.380 8.788 -0.408 19425 11448 1 14 . 1 1 73 73 LEU N N 73 127.858 127.858 126.327 1.531 19425 11449 1 14 . 1 1 73 73 LEU C C 73 173.701 173.701 175.637 -1.936 19425 11450 1 14 . 1 1 73 73 LEU CA C 73 53.347 53.347 53.482 -0.135 19425 11451 1 14 . 1 1 73 73 LEU CB C 73 45.926 45.926 45.486 0.440 19425 11452 1 14 . 1 1 73 73 LEU H H 73 9.532 9.532 8.856 0.676 19425 11453 1 14 . 1 1 74 74 SER N N 74 115.724 115.724 114.265 1.459 19425 11454 1 14 . 1 1 74 74 SER C C 74 177.541 177.541 176.001 1.540 19425 11455 1 14 . 1 1 74 74 SER CA C 74 57.905 57.905 57.332 0.573 19425 11456 1 14 . 1 1 74 74 SER CB C 74 63.901 63.901 63.563 0.338 19425 11457 1 14 . 1 1 74 74 SER H H 74 8.240 8.240 8.122 0.118 19425 11458 1 14 . 1 1 75 75 VAL N N 75 122.994 122.994 127.339 -4.345 19425 11459 1 14 . 1 1 75 75 VAL C C 75 174.610 174.610 177.285 -2.675 19425 11460 1 14 . 1 1 75 75 VAL CA C 75 67.104 67.104 67.170 -0.066 19425 11461 1 14 . 1 1 75 75 VAL CB C 75 30.953 30.953 31.521 -0.568 19425 11462 1 14 . 1 1 75 75 VAL H H 75 9.056 9.056 8.909 0.147 19425 11463 1 14 . 1 1 76 76 ARG N N 76 119.193 119.193 120.401 -1.208 19425 11464 1 14 . 1 1 76 76 ARG C C 76 178.228 178.228 178.175 0.053 19425 11465 1 14 . 1 1 76 76 ARG CA C 76 59.087 59.087 59.816 -0.729 19425 11466 1 14 . 1 1 76 76 ARG CB C 76 29.280 29.280 29.726 -0.446 19425 11467 1 14 . 1 1 76 76 ARG H H 76 8.137 8.137 7.646 0.491 19425 11468 1 14 . 1 1 77 77 ALA N N 77 122.977 122.977 120.522 2.455 19425 11469 1 14 . 1 1 77 77 ALA C C 77 178.506 178.506 179.740 -1.234 19425 11470 1 14 . 1 1 77 77 ALA CA C 77 54.926 54.926 54.724 0.202 19425 11471 1 14 . 1 1 77 77 ALA CB C 77 18.231 18.231 18.183 0.048 19425 11472 1 14 . 1 1 77 77 ALA H H 77 7.699 7.699 7.990 -0.291 19425 11473 1 14 . 1 1 78 78 LEU N N 78 121.115 121.115 120.035 1.080 19425 11474 1 14 . 1 1 78 78 LEU C C 78 180.640 180.640 178.388 2.252 19425 11475 1 14 . 1 1 78 78 LEU CA C 78 57.985 57.985 57.359 0.626 19425 11476 1 14 . 1 1 78 78 LEU CB C 78 40.522 40.522 41.311 -0.789 19425 11477 1 14 . 1 1 78 78 LEU H H 78 8.303 8.303 8.268 0.035 19425 11478 1 14 . 1 1 79 79 GLN N N 79 116.873 116.873 117.426 -0.553 19425 11479 1 14 . 1 1 79 79 GLN C C 79 177.875 177.875 178.368 -0.493 19425 11480 1 14 . 1 1 79 79 GLN CA C 79 59.069 59.069 59.091 -0.022 19425 11481 1 14 . 1 1 79 79 GLN CB C 79 27.254 27.254 28.381 -1.127 19425 11482 1 14 . 1 1 79 79 GLN H H 79 8.390 8.390 8.234 0.156 19425 11483 1 14 . 1 1 80 80 GLU N N 80 120.455 120.455 120.942 -0.487 19425 11484 1 14 . 1 1 80 80 GLU C C 80 179.749 179.749 178.838 0.911 19425 11485 1 14 . 1 1 80 80 GLU CA C 80 59.413 59.413 59.266 0.147 19425 11486 1 14 . 1 1 80 80 GLU CB C 80 29.142 29.142 29.474 -0.333 19425 11487 1 14 . 1 1 80 80 GLU H H 80 7.942 7.942 7.935 0.007 19425 11488 1 14 . 1 1 81 81 MET N N 81 120.541 120.541 118.311 2.230 19425 11489 1 14 . 1 1 81 81 MET C C 81 178.599 178.599 178.915 -0.316 19425 11490 1 14 . 1 1 81 81 MET CA C 81 59.665 59.665 59.297 0.368 19425 11491 1 14 . 1 1 81 81 MET CB C 81 32.534 32.534 32.887 -0.353 19425 11492 1 14 . 1 1 81 81 MET H H 81 7.870 7.870 7.989 -0.119 19425 11493 1 14 . 1 1 82 82 LEU N N 82 119.662 119.662 118.320 1.342 19425 11494 1 14 . 1 1 82 82 LEU C C 82 179.638 179.638 178.816 0.822 19425 11495 1 14 . 1 1 82 82 LEU CA C 82 57.669 57.669 56.917 0.752 19425 11496 1 14 . 1 1 82 82 LEU CB C 82 40.783 40.783 41.687 -0.904 19425 11497 1 14 . 1 1 82 82 LEU H H 82 8.488 8.488 7.880 0.608 19425 11498 1 14 . 1 1 83 83 ALA N N 83 120.827 120.827 120.800 0.027 19425 11499 1 14 . 1 1 83 83 ALA C C 83 179.323 179.323 179.703 -0.380 19425 11500 1 14 . 1 1 83 83 ALA CA C 83 54.073 54.073 54.515 -0.442 19425 11501 1 14 . 1 1 83 83 ALA CB C 83 18.326 18.326 18.529 -0.203 19425 11502 1 14 . 1 1 83 83 ALA H H 83 7.704 7.704 7.965 -0.261 19425 11503 1 14 . 1 1 84 84 ASN N N 84 115.853 115.853 115.553 0.300 19425 11504 1 14 . 1 1 84 84 ASN C C 84 178.944 178.944 176.352 2.592 19425 11505 1 14 . 1 1 84 84 ASN CA C 84 54.167 54.167 55.132 -0.965 19425 11506 1 14 . 1 1 84 84 ASN CB C 84 39.465 39.465 38.890 0.575 19425 11507 1 14 . 1 1 84 84 ASN H H 84 7.729 7.729 7.939 -0.210 19425 11508 1 14 . 1 1 85 85 THR N N 85 112.611 112.611 108.423 4.188 19425 11509 1 14 . 1 1 85 85 THR C C 85 175.569 175.569 175.376 0.193 19425 11510 1 14 . 1 1 85 85 THR CA C 85 63.086 63.086 63.227 -0.141 19425 11511 1 14 . 1 1 85 85 THR CB C 85 70.071 70.071 68.712 1.359 19425 11512 1 14 . 1 1 85 85 THR H H 85 7.698 7.698 7.232 0.466 19425 11513 1 14 . 1 1 86 86 VAL N N 86 121.812 121.812 118.722 3.090 19425 11514 1 14 . 1 1 86 86 VAL C C 86 174.573 174.573 176.858 -2.285 19425 11515 1 14 . 1 1 86 86 VAL CA C 86 62.811 62.811 63.349 -0.538 19425 11516 1 14 . 1 1 86 86 VAL CB C 86 32.730 32.730 31.187 1.543 19425 11517 1 14 . 1 1 86 86 VAL H H 86 7.874 7.874 7.358 0.516 19425 11518 1 14 . 1 1 87 87 GLU N N 87 124.330 124.330 119.503 4.827 19425 11519 1 14 . 1 1 87 87 GLU C C 87 176.280 176.280 177.006 -0.726 19425 11520 1 14 . 1 1 87 87 GLU CA C 87 56.877 56.877 58.198 -1.321 19425 11521 1 14 . 1 1 87 87 GLU CB C 87 29.852 29.852 30.578 -0.726 19425 11522 1 14 . 1 1 87 87 GLU H H 87 8.403 8.403 7.718 0.685 19425 11523 1 14 . 1 1 88 88 LYS N N 88 122.065 122.065 116.717 5.348 19425 11524 1 14 . 1 1 88 88 LYS C C 88 176.966 176.966 175.377 1.589 19425 11525 1 14 . 1 1 88 88 LYS CA C 88 56.799 56.799 56.491 0.308 19425 11526 1 14 . 1 1 88 88 LYS CB C 88 32.597 32.597 33.370 -0.773 19425 11527 1 14 . 1 1 88 88 LYS H H 88 8.330 8.330 8.245 0.085 19425 11528 1 14 . 1 1 89 89 SER N N 89 116.192 116.192 113.219 2.973 19425 11529 1 14 . 1 1 89 89 SER C C 89 176.865 176.865 173.743 3.122 19425 11530 1 14 . 1 1 89 89 SER CA C 89 59.008 59.008 57.900 1.108 19425 11531 1 14 . 1 1 89 89 SER CB C 89 63.765 63.765 64.300 -0.535 19425 11532 1 14 . 1 1 89 89 SER H H 89 8.247 8.247 7.853 0.394 19425 11533 1 14 . 1 1 90 90 GLU N N 90 122.006 122.006 122.292 -0.286 19425 11534 1 14 . 1 1 90 90 GLU C C 90 174.702 174.702 176.774 -2.072 19425 11535 1 14 . 1 1 90 90 GLU CA C 90 57.231 57.231 56.891 0.341 19425 11536 1 14 . 1 1 90 90 GLU CB C 90 29.442 29.442 29.660 -0.218 19425 11537 1 14 . 1 1 90 90 GLU H H 90 8.560 8.560 9.013 -0.453 19425 11538 1 14 . 1 1 91 91 GLY N N 91 110.052 110.052 108.669 1.383 19425 11539 1 14 . 1 1 91 91 GLY C C 91 177.170 177.170 174.325 2.845 19425 11540 1 14 . 1 1 91 91 GLY CA C 91 45.634 45.634 45.586 0.048 19425 11541 1 14 . 1 1 91 91 GLY H H 91 8.358 8.358 8.522 -0.164 19425 11542 1 14 . 1 1 92 92 GLN N N 92 120.053 120.053 116.952 3.101 19425 11543 1 14 . 1 1 92 92 GLN C C 92 173.905 173.905 176.336 -2.431 19425 11544 1 14 . 1 1 92 92 GLN CA C 92 55.261 55.261 54.851 0.410 19425 11545 1 14 . 1 1 92 92 GLN CB C 92 29.573 29.573 29.002 0.571 19425 11546 1 14 . 1 1 92 92 GLN H H 92 8.075 8.075 8.138 -0.063 19425 11547 1 14 . 1 1 93 93 VAL N N 93 123.434 123.434 121.771 1.663 19425 11548 1 14 . 1 1 93 93 VAL C C 93 175.667 175.667 175.735 -0.068 19425 11549 1 14 . 1 1 93 93 VAL CA C 93 62.914 62.914 64.521 -1.607 19425 11550 1 14 . 1 1 93 93 VAL CB C 93 32.629 32.629 31.630 0.999 19425 11551 1 14 . 1 1 93 93 VAL H H 93 8.370 8.370 7.832 0.538 19425 11552 1 14 . 1 1 94 94 ASP N N 94 125.761 125.761 119.497 6.264 19425 11553 1 14 . 1 1 94 94 ASP C C 94 175.704 175.704 175.250 0.454 19425 11554 1 14 . 1 1 94 94 ASP CA C 94 53.743 53.743 53.370 0.373 19425 11555 1 14 . 1 1 94 94 ASP CB C 94 40.771 40.771 39.949 0.822 19425 11556 1 14 . 1 1 94 94 ASP H H 94 8.550 8.550 8.301 0.249 19425 11557 1 14 . 1 1 95 95 VAL N N 95 125.064 125.064 119.363 5.701 19425 11558 1 14 . 1 1 95 95 VAL C C 95 176.465 176.465 176.519 -0.054 19425 11559 1 14 . 1 1 95 95 VAL CA C 95 65.487 65.487 63.168 2.319 19425 11560 1 14 . 1 1 95 95 VAL CB C 95 31.773 31.773 32.083 -0.310 19425 11561 1 14 . 1 1 95 95 VAL H H 95 8.300 8.300 7.837 0.463 19425 11562 1 14 . 1 1 96 96 GLU N N 96 120.880 120.880 120.064 0.816 19425 11563 1 14 . 1 1 96 96 GLU C C 96 177.523 177.523 177.469 0.054 19425 11564 1 14 . 1 1 96 96 GLU CA C 96 59.157 59.157 58.847 0.310 19425 11565 1 14 . 1 1 96 96 GLU CB C 96 28.575 28.575 29.394 -0.819 19425 11566 1 14 . 1 1 96 96 GLU H H 96 8.297 8.297 8.518 -0.221 19425 11567 1 14 . 1 1 97 97 LYS N N 97 121.943 121.943 118.751 3.192 19425 11568 1 14 . 1 1 97 97 LYS C C 97 179.434 179.434 178.712 0.722 19425 11569 1 14 . 1 1 97 97 LYS CA C 97 59.186 59.186 58.193 0.993 19425 11570 1 14 . 1 1 97 97 LYS CB C 97 32.036 32.036 32.282 -0.246 19425 11571 1 14 . 1 1 97 97 LYS H H 97 7.979 7.979 8.021 -0.042 19425 11572 1 14 . 1 1 98 98 TRP N N 98 121.420 121.420 121.099 0.321 19425 11573 1 14 . 1 1 98 98 TRP C C 98 178.673 178.673 178.509 0.164 19425 11574 1 14 . 1 1 98 98 TRP CA C 98 60.176 60.176 59.677 0.499 19425 11575 1 14 . 1 1 98 98 TRP CB C 98 29.340 29.340 29.019 0.321 19425 11576 1 14 . 1 1 98 98 TRP H H 98 8.202 8.202 7.882 0.320 19425 11577 1 14 . 1 1 99 99 LYS N N 99 118.236 118.236 119.327 -1.091 19425 11578 1 14 . 1 1 99 99 LYS C C 99 177.374 177.374 178.622 -1.248 19425 11579 1 14 . 1 1 99 99 LYS CA C 99 59.812 59.812 58.948 0.864 19425 11580 1 14 . 1 1 99 99 LYS CB C 99 32.042 32.042 31.421 0.621 19425 11581 1 14 . 1 1 99 99 LYS H H 99 8.346 8.346 8.508 -0.162 19425 11582 1 14 . 1 1 100 100 PHE N N 100 120.365 120.365 120.145 0.220 19425 11583 1 14 . 1 1 100 100 PHE C C 100 179.193 179.193 177.526 1.667 19425 11584 1 14 . 1 1 100 100 PHE CA C 100 60.902 60.902 61.589 -0.687 19425 11585 1 14 . 1 1 100 100 PHE CB C 100 38.875 38.875 39.150 -0.275 19425 11586 1 14 . 1 1 100 100 PHE H H 100 7.916 7.916 7.769 0.147 19425 11587 1 14 . 1 1 101 101 MET N N 101 121.837 121.837 120.402 1.435 19425 11588 1 14 . 1 1 101 101 MET C C 101 178.172 178.172 178.297 -0.125 19425 11589 1 14 . 1 1 101 101 MET CA C 101 58.625 58.625 57.651 0.974 19425 11590 1 14 . 1 1 101 101 MET CB C 101 32.081 32.081 32.293 -0.212 19425 11591 1 14 . 1 1 101 101 MET H H 101 8.393 8.393 8.150 0.243 19425 11592 1 14 . 1 1 102 102 MET N N 102 119.901 119.901 118.705 1.196 19425 11593 1 14 . 1 1 102 102 MET C C 102 178.655 178.655 178.232 0.423 19425 11594 1 14 . 1 1 102 102 MET CA C 102 57.867 57.867 59.600 -1.733 19425 11595 1 14 . 1 1 102 102 MET CB C 102 32.414 32.414 32.473 -0.059 19425 11596 1 14 . 1 1 102 102 MET H H 102 8.174 8.174 8.500 -0.326 19425 11597 1 14 . 1 1 103 103 LYS N N 103 120.555 120.555 119.609 0.946 19425 11598 1 14 . 1 1 103 103 LYS C C 103 177.857 177.857 179.417 -1.560 19425 11599 1 14 . 1 1 103 103 LYS CA C 103 58.592 58.592 59.667 -1.075 19425 11600 1 14 . 1 1 103 103 LYS CB C 103 31.816 31.816 32.095 -0.279 19425 11601 1 14 . 1 1 103 103 LYS H H 103 7.899 7.899 8.086 -0.187 19425 11602 1 14 . 1 1 104 104 THR N N 104 115.450 115.450 116.311 -0.861 19425 11603 1 14 . 1 1 104 104 THR C C 104 179.267 179.267 176.129 3.138 19425 11604 1 14 . 1 1 104 104 THR CA C 104 64.914 64.914 66.458 -1.544 19425 11605 1 14 . 1 1 104 104 THR CB C 104 69.103 69.103 68.869 0.234 19425 11606 1 14 . 1 1 104 104 THR H H 104 7.895 7.895 8.280 -0.385 19425 11607 1 14 . 1 1 105 105 ALA N N 105 124.862 124.862 123.516 1.346 19425 11608 1 14 . 1 1 105 105 ALA C C 105 176.057 176.057 178.850 -2.793 19425 11609 1 14 . 1 1 105 105 ALA CA C 105 54.106 54.106 54.586 -0.480 19425 11610 1 14 . 1 1 105 105 ALA CB C 105 18.493 18.493 18.453 0.040 19425 11611 1 14 . 1 1 105 105 ALA H H 105 7.896 7.896 7.882 0.014 19425 11612 1 14 . 1 1 106 106 GLN N N 106 117.285 117.285 114.844 2.441 19425 11613 1 14 . 1 1 106 106 GLN C C 106 178.655 178.655 178.220 0.435 19425 11614 1 14 . 1 1 106 106 GLN CA C 106 56.913 56.913 56.945 -0.032 19425 11615 1 14 . 1 1 106 106 GLN CB C 106 29.148 29.148 29.248 -0.100 19425 11616 1 14 . 1 1 106 106 GLN H H 106 7.944 7.944 8.051 -0.107 19425 11617 1 14 . 1 1 107 107 GLY N N 107 107.494 107.494 107.944 -0.450 19425 11618 1 14 . 1 1 107 107 GLY C C 107 177.597 177.597 174.527 3.070 19425 11619 1 14 . 1 1 107 107 GLY CA C 107 45.975 45.975 45.422 0.553 19425 11620 1 14 . 1 1 107 107 GLY H H 107 7.852 7.852 7.761 0.091 19425 11621 1 14 . 1 1 108 108 GLY N N 108 109.642 109.642 108.579 1.063 19425 11622 1 14 . 1 1 108 108 GLY C C 108 174.740 174.740 173.221 1.519 19425 11623 1 14 . 1 1 108 108 GLY CA C 108 45.151 45.151 45.350 -0.199 19425 11624 1 14 . 1 1 108 108 GLY H H 108 8.313 8.313 7.970 0.343 19425 11625 1 14 . 1 1 109 109 GLY N N 109 108.058 108.058 112.188 -4.130 19425 11626 1 14 . 1 1 109 109 GLY C C 109 174.313 174.313 173.658 0.655 19425 11627 1 14 . 1 1 109 109 GLY CA C 109 44.659 44.659 44.588 0.071 19425 11628 1 14 . 1 1 109 109 GLY H H 109 8.059 8.059 8.106 -0.047 19425 11629 1 14 . 1 1 110 110 HIS N N 110 118.432 118.432 122.171 -3.739 19425 11630 1 14 . 1 1 110 110 HIS C C 110 173.348 173.348 174.766 -1.418 19425 11631 1 14 . 1 1 110 110 HIS CA C 110 55.590 55.590 56.211 -0.621 19425 11632 1 14 . 1 1 110 110 HIS CB C 110 28.502 28.502 31.105 -2.603 19425 11633 1 14 . 1 1 110 110 HIS H H 110 8.261 8.261 8.075 0.186 19425 11634 1 14 . 1 1 111 111 ARG N N 111 122.052 122.052 119.059 2.993 19425 11635 1 14 . 1 1 111 111 ARG C C 111 174.908 174.908 175.620 -0.712 19425 11636 1 14 . 1 1 111 111 ARG CA C 111 55.233 55.233 54.945 0.288 19425 11637 1 14 . 1 1 111 111 ARG CB C 111 31.125 31.125 33.031 -1.906 19425 11638 1 14 . 1 1 111 111 ARG H H 111 8.597 8.597 8.852 -0.255 19425 11639 1 14 . 1 1 112 112 THR N N 112 120.248 120.248 118.663 1.585 19425 11640 1 14 . 1 1 112 112 THR C C 112 176.447 176.447 174.503 1.944 19425 11641 1 14 . 1 1 112 112 THR CA C 112 63.723 63.723 63.202 0.521 19425 11642 1 14 . 1 1 112 112 THR CB C 112 68.984 68.984 69.559 -0.576 19425 11643 1 14 . 1 1 112 112 THR H H 112 8.577 8.577 8.414 0.163 19425 11644 1 14 . 1 1 113 113 LEU N N 113 130.382 130.382 126.112 4.270 19425 11645 1 14 . 1 1 113 113 LEU C C 113 174.294 174.294 175.246 -0.952 19425 11646 1 14 . 1 1 113 113 LEU CA C 113 56.791 56.791 54.931 1.861 19425 11647 1 14 . 1 1 113 113 LEU CB C 113 41.705 41.705 42.851 -1.146 19425 11648 1 14 . 1 1 113 113 LEU H H 113 8.515 8.515 8.793 -0.278 19425 11649 1 14 . 1 1 114 114 LEU N N 114 118.829 118.829 122.274 -3.445 19425 11650 1 14 . 1 1 114 114 LEU C C 114 175.278 175.278 176.629 -1.351 19425 11651 1 14 . 1 1 114 114 LEU CA C 114 51.667 51.667 52.554 -0.888 19425 11652 1 14 . 1 1 114 114 LEU CB C 114 42.454 42.454 44.187 -1.732 19425 11653 1 14 . 1 1 114 114 LEU H H 114 6.454 6.454 8.114 -1.660 19425 11654 1 14 . 1 1 115 115 TYR N N 115 119.059 119.059 121.260 -2.201 19425 11655 1 14 . 1 1 115 115 TYR C C 115 177.152 177.152 177.418 -0.266 19425 11656 1 14 . 1 1 115 115 TYR CA C 115 62.452 62.452 60.715 1.738 19425 11657 1 14 . 1 1 115 115 TYR CB C 115 38.058 38.058 38.014 0.044 19425 11658 1 14 . 1 1 115 115 TYR H H 115 8.797 8.797 8.686 0.111 19425 11659 1 14 . 1 1 116 116 GLY N N 116 115.795 115.795 113.089 2.706 19425 11660 1 14 . 1 1 116 116 GLY C C 116 178.061 178.061 173.881 4.180 19425 11661 1 14 . 1 1 116 116 GLY CA C 116 45.100 45.100 45.143 -0.043 19425 11662 1 14 . 1 1 116 116 GLY H H 116 9.672 9.672 9.140 0.532 19425 11663 1 14 . 1 1 117 117 HIS N N 117 122.193 122.193 121.396 0.797 19425 11664 1 14 . 1 1 117 117 HIS C C 117 175.463 175.463 173.807 1.656 19425 11665 1 14 . 1 1 117 117 HIS CA C 117 56.119 56.119 55.532 0.587 19425 11666 1 14 . 1 1 117 117 HIS CB C 117 32.293 32.293 30.375 1.918 19425 11667 1 14 . 1 1 117 117 HIS H H 117 8.113 8.113 7.803 0.310 19425 11668 1 14 . 1 1 118 118 ALA N N 118 120.893 120.893 126.737 -5.844 19425 11669 1 14 . 1 1 118 118 ALA C C 118 173.775 173.775 176.116 -2.341 19425 11670 1 14 . 1 1 118 118 ALA CA C 118 50.378 50.378 51.455 -1.077 19425 11671 1 14 . 1 1 118 118 ALA CB C 118 21.646 21.646 19.578 2.068 19425 11672 1 14 . 1 1 118 118 ALA H H 118 9.458 9.458 8.978 0.480 19425 11673 1 14 . 1 1 120 120 LEU N N 120 119.631 119.631 123.803 -4.172 19425 11674 1 14 . 1 1 120 120 LEU C C 120 173.367 173.367 174.721 -1.354 19425 11675 1 14 . 1 1 120 120 LEU CA C 120 56.217 56.217 52.896 3.321 19425 11676 1 14 . 1 1 120 120 LEU CB C 120 39.519 39.519 44.075 -4.556 19425 11677 1 14 . 1 1 120 120 LEU H H 120 8.746 8.746 8.215 0.531 19425 11678 1 14 . 1 1 121 121 LEU N N 121 118.900 118.900 126.941 -8.041 19425 11679 1 14 . 1 1 121 121 LEU C C 121 171.400 171.400 175.794 -4.394 19425 11680 1 14 . 1 1 121 121 LEU CA C 121 52.852 52.852 53.723 -0.871 19425 11681 1 14 . 1 1 121 121 LEU CB C 121 43.452 43.452 42.793 0.659 19425 11682 1 14 . 1 1 121 121 LEU H H 121 8.590 8.590 8.635 -0.045 19425 11683 1 14 . 1 1 122 122 ARG N N 122 123.588 123.588 124.914 -1.326 19425 11684 1 14 . 1 1 122 122 ARG C C 122 176.465 176.465 175.443 1.022 19425 11685 1 14 . 1 1 122 122 ARG CA C 122 54.403 54.403 53.958 0.445 19425 11686 1 14 . 1 1 122 122 ARG CB C 122 32.897 32.897 31.721 1.177 19425 11687 1 14 . 1 1 122 122 ARG H H 122 9.077 9.077 8.752 0.325 19425 11688 1 14 . 1 1 123 123 HIS N N 123 131.440 131.440 127.309 4.131 19425 11689 1 14 . 1 1 123 123 HIS C C 123 175.704 175.704 175.320 0.384 19425 11690 1 14 . 1 1 123 123 HIS CA C 123 56.637 56.637 56.841 -0.204 19425 11691 1 14 . 1 1 123 123 HIS CB C 123 31.261 31.261 29.922 1.339 19425 11692 1 14 . 1 1 123 123 HIS H H 123 9.622 9.622 8.433 1.189 19425 11693 1 14 . 1 1 124 124 SER N N 124 127.024 127.024 124.522 2.502 19425 11694 1 14 . 1 1 124 124 SER C C 124 175.686 175.686 175.774 -0.088 19425 11695 1 14 . 1 1 124 124 SER CA C 124 62.010 62.010 61.799 0.211 19425 11696 1 14 . 1 1 124 124 SER CB C 124 62.912 62.912 63.057 -0.145 19425 11697 1 14 . 1 1 124 124 SER H H 124 7.840 7.840 7.778 0.062 19425 11698 1 14 . 1 1 125 125 TYR N N 125 119.708 119.708 120.349 -0.641 19425 11699 1 14 . 1 1 125 125 TYR C C 125 180.696 180.696 176.594 4.102 19425 11700 1 14 . 1 1 125 125 TYR CA C 125 60.903 60.903 60.588 0.315 19425 11701 1 14 . 1 1 125 125 TYR CB C 125 38.744 38.744 38.553 0.191 19425 11702 1 14 . 1 1 125 125 TYR H H 125 8.746 8.746 7.485 1.261 19425 11703 1 14 . 1 1 126 126 SER N N 126 110.333 110.333 112.529 -2.196 19425 11704 1 14 . 1 1 126 126 SER C C 126 176.543 176.543 176.120 0.423 19425 11705 1 14 . 1 1 126 126 SER CA C 126 59.366 59.366 59.550 -0.184 19425 11706 1 14 . 1 1 126 126 SER CB C 126 65.282 65.282 64.502 0.780 19425 11707 1 14 . 1 1 126 126 SER H H 126 7.004 7.004 8.059 -1.054 19425 11708 1 14 . 1 1 127 127 GLY N N 127 113.322 113.322 109.463 3.859 19425 11709 1 14 . 1 1 127 127 GLY C C 127 176.428 176.428 174.287 2.141 19425 11710 1 14 . 1 1 127 127 GLY CA C 127 46.064 46.064 45.566 0.498 19425 11711 1 14 . 1 1 127 127 GLY H H 127 8.181 8.181 8.388 -0.207 19425 11712 1 14 . 1 1 128 128 MET N N 128 118.598 118.598 118.829 -0.231 19425 11713 1 14 . 1 1 128 128 MET C C 128 173.200 173.200 175.006 -1.806 19425 11714 1 14 . 1 1 128 128 MET CA C 128 55.429 55.429 56.559 -1.130 19425 11715 1 14 . 1 1 128 128 MET CB C 128 35.988 35.988 33.990 1.998 19425 11716 1 14 . 1 1 128 128 MET H H 128 7.551 7.551 7.514 0.037 19425 11717 1 14 . 1 1 129 129 TYR N N 129 116.715 116.715 114.506 2.209 19425 11718 1 14 . 1 1 129 129 TYR C C 129 172.884 172.884 175.829 -2.945 19425 11719 1 14 . 1 1 129 129 TYR CA C 129 58.658 58.658 57.181 1.477 19425 11720 1 14 . 1 1 129 129 TYR CB C 129 40.914 40.914 41.175 -0.261 19425 11721 1 14 . 1 1 129 129 TYR H H 129 8.923 8.923 8.517 0.406 19425 11722 1 14 . 1 1 130 130 LEU N N 130 123.061 123.061 124.682 -1.621 19425 11723 1 14 . 1 1 130 130 LEU C C 130 176.677 176.677 176.453 0.224 19425 11724 1 14 . 1 1 130 130 LEU CA C 130 56.311 56.311 56.286 0.025 19425 11725 1 14 . 1 1 130 130 LEU CB C 130 42.909 42.909 42.419 0.490 19425 11726 1 14 . 1 1 130 130 LEU H H 130 8.236 8.236 8.914 -0.678 19425 11727 1 14 . 1 1 131 131 CYS N N 131 126.618 126.618 127.332 -0.714 19425 11728 1 14 . 1 1 131 131 CYS C C 131 177.616 177.616 173.079 4.537 19425 11729 1 14 . 1 1 131 131 CYS CA C 131 57.028 57.028 57.235 -0.207 19425 11730 1 14 . 1 1 131 131 CYS CB C 131 32.339 32.339 30.983 1.357 19425 11731 1 14 . 1 1 131 131 CYS H H 131 9.516 9.516 9.444 0.072 19425 11732 1 14 . 1 1 132 132 CYS N N 132 124.860 124.860 126.942 -2.082 19425 11733 1 14 . 1 1 132 132 CYS C C 132 172.309 172.309 174.398 -2.089 19425 11734 1 14 . 1 1 132 132 CYS CA C 132 59.436 59.436 57.420 2.016 19425 11735 1 14 . 1 1 132 132 CYS CB C 132 27.383 27.383 25.792 1.591 19425 11736 1 14 . 1 1 132 132 CYS H H 132 8.142 8.142 8.247 -0.105 19425 11737 1 14 . 1 1 133 133 LEU N N 133 131.382 131.382 127.967 3.415 19425 11738 1 14 . 1 1 133 133 LEU C C 133 174.035 174.035 177.337 -3.302 19425 11739 1 14 . 1 1 133 133 LEU CA C 133 54.799 54.799 54.642 0.158 19425 11740 1 14 . 1 1 133 133 LEU CB C 133 41.109 41.109 42.678 -1.569 19425 11741 1 14 . 1 1 133 133 LEU H H 133 9.008 9.008 8.237 0.771 19425 11742 1 14 . 1 1 134 134 SER N N 134 112.103 112.103 113.932 -1.829 19425 11743 1 14 . 1 1 134 134 SER C C 134 175.519 175.519 174.042 1.477 19425 11744 1 14 . 1 1 134 134 SER CA C 134 58.320 58.320 58.831 -0.511 19425 11745 1 14 . 1 1 134 134 SER CB C 134 63.979 63.979 62.671 1.308 19425 11746 1 14 . 1 1 134 134 SER H H 134 8.229 8.229 8.499 -0.270 19425 11747 1 14 . 1 1 135 135 THR N N 135 111.693 111.693 113.423 -1.730 19425 11748 1 14 . 1 1 135 135 THR C C 135 174.535 174.535 175.085 -0.550 19425 11749 1 14 . 1 1 135 135 THR CA C 135 60.703 60.703 60.929 -0.226 19425 11750 1 14 . 1 1 135 135 THR CB C 135 70.624 70.624 70.650 -0.026 19425 11751 1 14 . 1 1 135 135 THR H H 135 7.292 7.292 7.474 -0.182 19425 11752 1 14 . 1 1 136 136 SER N N 136 117.260 117.260 121.711 -4.451 19425 11753 1 14 . 1 1 136 136 SER C C 136 173.478 173.478 174.967 -1.489 19425 11754 1 14 . 1 1 136 136 SER CA C 136 57.537 57.537 61.171 -3.634 19425 11755 1 14 . 1 1 136 136 SER CB C 136 64.593 64.593 63.934 0.659 19425 11756 1 14 . 1 1 136 136 SER H H 136 8.544 8.544 9.083 -0.539 19425 11757 1 14 . 1 1 137 137 ARG N N 137 124.804 124.804 117.958 6.846 19425 11758 1 14 . 1 1 137 137 ARG C C 137 175.000 175.000 174.984 0.016 19425 11759 1 14 . 1 1 137 137 ARG CA C 137 56.922 56.922 57.232 -0.310 19425 11760 1 14 . 1 1 137 137 ARG CB C 137 30.733 30.733 30.911 -0.178 19425 11761 1 14 . 1 1 137 137 ARG H H 137 9.231 9.231 8.166 1.065 19425 11762 1 14 . 1 1 138 138 SER N N 138 126.225 126.225 112.445 13.780 19425 11763 1 14 . 1 1 138 138 SER C C 138 175.871 175.871 174.541 1.330 19425 11764 1 14 . 1 1 138 138 SER CA C 138 61.891 61.891 58.790 3.101 19425 11765 1 14 . 1 1 138 138 SER CB C 138 62.730 62.730 63.595 -0.865 19425 11766 1 14 . 1 1 138 138 SER H H 138 7.891 7.891 8.629 -0.738 19425 11767 1 14 . 1 1 140 140 THR N N 140 114.799 114.799 117.497 -2.698 19425 11768 1 14 . 1 1 140 140 THR C C 140 173.756 173.756 173.815 -0.059 19425 11769 1 14 . 1 1 140 140 THR CA C 140 62.895 62.895 64.060 -1.165 19425 11770 1 14 . 1 1 140 140 THR CB C 140 69.332 69.332 68.547 0.785 19425 11771 1 14 . 1 1 140 140 THR H H 140 8.168 8.168 8.362 -0.194 19425 11772 1 14 . 1 1 141 141 ASP N N 141 121.772 121.772 125.903 -4.131 19425 11773 1 14 . 1 1 141 141 ASP C C 141 174.795 174.795 174.489 0.306 19425 11774 1 14 . 1 1 141 141 ASP CA C 141 54.001 54.001 54.016 -0.015 19425 11775 1 14 . 1 1 141 141 ASP CB C 141 40.914 40.914 42.751 -1.837 19425 11776 1 14 . 1 1 141 141 ASP H H 141 8.049 8.049 8.017 0.032 19425 11777 1 14 . 1 1 142 142 LYS N N 142 121.585 121.585 120.653 0.932 19425 11778 1 14 . 1 1 142 142 LYS C C 142 176.274 176.274 176.706 -0.432 19425 11779 1 14 . 1 1 142 142 LYS CA C 142 57.106 57.106 56.728 0.378 19425 11780 1 14 . 1 1 142 142 LYS CB C 142 31.369 31.369 33.117 -1.748 19425 11781 1 14 . 1 1 142 142 LYS H H 142 8.376 8.376 8.432 -0.056 19425 11782 1 14 . 1 1 143 143 LEU N N 143 119.604 119.604 121.191 -1.587 19425 11783 1 14 . 1 1 143 143 LEU C C 143 176.798 176.798 177.158 -0.360 19425 11784 1 14 . 1 1 143 143 LEU CA C 143 55.261 55.261 57.364 -2.103 19425 11785 1 14 . 1 1 143 143 LEU CB C 143 41.487 41.487 41.146 0.341 19425 11786 1 14 . 1 1 143 143 LEU H H 143 8.262 8.262 7.872 0.390 19425 11787 1 14 . 1 1 144 144 ALA N N 144 123.881 123.881 116.936 6.945 19425 11788 1 14 . 1 1 144 144 ALA C C 144 176.410 176.410 176.784 -0.374 19425 11789 1 14 . 1 1 144 144 ALA CA C 144 51.335 51.335 50.710 0.625 19425 11790 1 14 . 1 1 144 144 ALA CB C 144 20.924 20.924 20.824 0.100 19425 11791 1 14 . 1 1 144 144 ALA H H 144 7.614 7.614 7.478 0.136 19425 11792 1 14 . 1 1 145 145 PHE N N 145 120.083 120.083 118.411 1.672 19425 11793 1 14 . 1 1 145 145 PHE C C 145 176.948 176.948 175.785 1.163 19425 11794 1 14 . 1 1 145 145 PHE CA C 145 55.872 55.872 56.365 -0.493 19425 11795 1 14 . 1 1 145 145 PHE CB C 145 42.468 42.468 41.060 1.408 19425 11796 1 14 . 1 1 145 145 PHE H H 145 8.647 8.647 8.690 -0.043 19425 11797 1 14 . 1 1 146 146 ASP N N 146 119.893 119.893 120.186 -0.293 19425 11798 1 14 . 1 1 146 146 ASP C C 146 175.519 175.519 174.488 1.031 19425 11799 1 14 . 1 1 146 146 ASP CA C 146 54.679 54.679 54.685 -0.007 19425 11800 1 14 . 1 1 146 146 ASP CB C 146 42.169 42.169 42.803 -0.634 19425 11801 1 14 . 1 1 146 146 ASP H H 146 8.692 8.692 9.065 -0.373 19425 11802 1 14 . 1 1 147 147 VAL N N 147 118.800 118.800 121.836 -3.036 19425 11803 1 14 . 1 1 147 147 VAL C C 147 174.053 174.053 175.571 -1.518 19425 11804 1 14 . 1 1 147 147 VAL CA C 147 60.671 60.671 61.407 -0.736 19425 11805 1 14 . 1 1 147 147 VAL CB C 147 35.326 35.326 33.052 2.274 19425 11806 1 14 . 1 1 147 147 VAL H H 147 8.224 8.224 8.537 -0.313 19425 11807 1 14 . 1 1 148 148 GLY N N 148 113.226 113.226 114.721 -1.495 19425 11808 1 14 . 1 1 148 148 GLY C C 148 175.141 175.141 172.298 2.843 19425 11809 1 14 . 1 1 148 148 GLY CA C 148 45.384 45.384 43.823 1.561 19425 11810 1 14 . 1 1 148 148 GLY H H 148 8.594 8.594 8.837 -0.243 19425 11811 1 14 . 1 1 149 149 LEU N N 149 120.880 120.880 119.371 1.509 19425 11812 1 14 . 1 1 149 149 LEU C C 149 170.973 170.973 175.492 -4.519 19425 11813 1 14 . 1 1 149 149 LEU CA C 149 53.299 53.299 53.636 -0.337 19425 11814 1 14 . 1 1 149 149 LEU CB C 149 43.938 43.938 45.837 -1.899 19425 11815 1 14 . 1 1 149 149 LEU H H 149 8.303 8.303 8.088 0.215 19425 11816 1 14 . 1 1 150 150 GLN N N 150 118.978 118.978 119.322 -0.344 19425 11817 1 14 . 1 1 150 150 GLN C C 150 177.133 177.133 175.684 1.449 19425 11818 1 14 . 1 1 150 150 GLN CA C 150 54.723 54.723 55.036 -0.313 19425 11819 1 14 . 1 1 150 150 GLN CB C 150 32.690 32.690 32.560 0.130 19425 11820 1 14 . 1 1 150 150 GLN H H 150 9.115 9.115 8.618 0.497 19425 11821 1 14 . 1 1 151 151 GLU N N 151 121.344 121.344 124.449 -3.105 19425 11822 1 14 . 1 1 151 151 GLU C C 151 175.333 175.333 175.986 -0.653 19425 11823 1 14 . 1 1 151 151 GLU CA C 151 59.140 59.140 58.401 0.739 19425 11824 1 14 . 1 1 151 151 GLU CB C 151 30.735 30.735 29.872 0.863 19425 11825 1 14 . 1 1 151 151 GLU H H 151 9.142 9.142 8.805 0.337 19425 11826 1 14 . 1 1 152 152 ASP N N 152 117.494 117.494 118.629 -1.135 19425 11827 1 14 . 1 1 152 152 ASP C C 152 176.391 176.391 177.261 -0.870 19425 11828 1 14 . 1 1 152 152 ASP CA C 152 54.139 54.139 54.851 -0.712 19425 11829 1 14 . 1 1 152 152 ASP CB C 152 41.920 41.920 41.403 0.517 19425 11830 1 14 . 1 1 152 152 ASP H H 152 8.023 8.023 8.238 -0.215 19425 11831 1 14 . 1 1 153 153 THR N N 153 111.969 111.969 108.907 3.062 19425 11832 1 14 . 1 1 153 153 THR C C 153 175.964 175.964 174.497 1.467 19425 11833 1 14 . 1 1 153 153 THR CA C 153 61.894 61.894 61.978 -0.084 19425 11834 1 14 . 1 1 153 153 THR CB C 153 68.903 68.903 69.290 -0.387 19425 11835 1 14 . 1 1 153 153 THR H H 153 7.985 7.985 8.107 -0.122 19425 11836 1 14 . 1 1 154 154 THR N N 154 113.978 113.978 114.130 -0.152 19425 11837 1 14 . 1 1 154 154 THR C C 154 175.000 175.000 175.207 -0.207 19425 11838 1 14 . 1 1 154 154 THR CA C 154 62.359 62.359 63.708 -1.349 19425 11839 1 14 . 1 1 154 154 THR CB C 154 69.210 69.210 68.522 0.688 19425 11840 1 14 . 1 1 154 154 THR H H 154 7.790 7.790 7.721 0.069 19425 11841 1 14 . 1 1 155 155 GLY N N 155 108.411 108.411 114.325 -5.914 19425 11842 1 14 . 1 1 155 155 GLY C C 155 174.702 174.702 172.374 2.328 19425 11843 1 14 . 1 1 155 155 GLY CA C 155 44.737 44.737 44.807 -0.070 19425 11844 1 14 . 1 1 155 155 GLY H H 155 7.639 7.639 8.023 -0.384 19425 11845 1 14 . 1 1 156 156 GLU N N 156 118.666 118.666 120.516 -1.850 19425 11846 1 14 . 1 1 156 156 GLU C C 156 173.571 173.571 177.809 -4.238 19425 11847 1 14 . 1 1 156 156 GLU CA C 156 59.352 59.352 57.031 2.321 19425 11848 1 14 . 1 1 156 156 GLU CB C 156 31.248 31.248 30.393 0.855 19425 11849 1 14 . 1 1 156 156 GLU H H 156 8.606 8.606 8.712 -0.106 19425 11850 1 14 . 1 1 157 157 ALA N N 157 118.664 118.664 123.655 -4.991 19425 11851 1 14 . 1 1 157 157 ALA C C 157 177.727 177.727 178.169 -0.442 19425 11852 1 14 . 1 1 157 157 ALA CA C 157 55.063 55.063 54.638 0.425 19425 11853 1 14 . 1 1 157 157 ALA CB C 157 18.856 18.856 18.405 0.451 19425 11854 1 14 . 1 1 157 157 ALA H H 157 8.159 8.159 8.490 -0.331 19425 11855 1 14 . 1 1 158 158 CYS N N 158 114.681 114.681 114.775 -0.094 19425 11856 1 14 . 1 1 158 158 CYS C C 158 179.972 179.972 173.476 6.496 19425 11857 1 14 . 1 1 158 158 CYS CA C 158 57.585 57.585 57.982 -0.397 19425 11858 1 14 . 1 1 158 158 CYS CB C 158 27.977 27.977 26.962 1.014 19425 11859 1 14 . 1 1 158 158 CYS H H 158 7.973 7.973 8.214 -0.241 19425 11860 1 14 . 1 1 165 165 ALA N N 165 122.416 122.416 128.700 -6.284 19425 11861 1 14 . 1 1 165 165 ALA C C 165 176.743 176.743 177.644 -0.901 19425 11862 1 14 . 1 1 165 165 ALA CA C 165 52.390 52.390 54.073 -1.683 19425 11863 1 14 . 1 1 165 165 ALA CB C 165 20.486 20.486 19.190 1.296 19425 11864 1 14 . 1 1 165 165 ALA H H 165 8.190 8.190 8.636 -0.446 19425 11865 1 14 . 1 1 166 166 SER N N 166 111.681 111.681 113.624 -1.943 19425 11866 1 14 . 1 1 166 166 SER C C 166 176.876 176.876 174.195 2.681 19425 11867 1 14 . 1 1 166 166 SER CA C 166 56.863 56.863 56.822 0.041 19425 11868 1 14 . 1 1 166 166 SER CB C 166 65.738 65.738 64.938 0.800 19425 11869 1 14 . 1 1 166 166 SER H H 166 7.690 7.690 7.639 0.051 19425 11870 1 14 . 1 1 167 167 LYS N N 167 121.655 121.655 115.913 5.742 19425 11871 1 14 . 1 1 167 167 LYS C C 167 175.241 175.241 176.552 -1.311 19425 11872 1 14 . 1 1 167 167 LYS CA C 167 55.297 55.297 56.980 -1.683 19425 11873 1 14 . 1 1 167 167 LYS CB C 167 31.364 31.364 31.525 -0.161 19425 11874 1 14 . 1 1 167 167 LYS H H 167 8.230 8.230 8.602 -0.372 19425 11875 1 14 . 1 1 168 168 GLN N N 168 117.832 117.832 118.188 -0.356 19425 11876 1 14 . 1 1 168 168 GLN C C 168 176.836 176.836 176.061 0.775 19425 11877 1 14 . 1 1 168 168 GLN CA C 168 57.366 57.366 56.471 0.895 19425 11878 1 14 . 1 1 168 168 GLN CB C 168 28.979 28.979 29.437 -0.458 19425 11879 1 14 . 1 1 168 168 GLN H H 168 8.134 8.134 7.582 0.552 19425 11880 1 14 . 1 1 169 169 ARG N N 169 117.052 117.052 119.341 -2.289 19425 11881 1 14 . 1 1 169 169 ARG C C 169 175.946 175.946 175.064 0.882 19425 11882 1 14 . 1 1 169 169 ARG CA C 169 52.885 52.885 54.392 -1.507 19425 11883 1 14 . 1 1 169 169 ARG CB C 169 32.795 32.795 30.935 1.860 19425 11884 1 14 . 1 1 169 169 ARG H H 169 7.209 7.209 8.100 -0.891 19425 11885 1 14 . 1 1 170 170 SER N N 170 114.335 114.335 114.962 -0.627 19425 11886 1 14 . 1 1 170 170 SER C C 170 174.387 174.387 173.437 0.950 19425 11887 1 14 . 1 1 170 170 SER CA C 170 56.976 56.976 56.505 0.471 19425 11888 1 14 . 1 1 170 170 SER CB C 170 66.348 66.348 65.118 1.230 19425 11889 1 14 . 1 1 170 170 SER H H 170 8.279 8.279 8.499 -0.220 19425 11890 1 14 . 1 1 171 171 GLU N N 171 121.428 121.428 122.978 -1.550 19425 11891 1 14 . 1 1 171 171 GLU C C 171 173.293 173.293 176.687 -3.394 19425 11892 1 14 . 1 1 171 171 GLU CA C 171 58.658 58.658 57.387 1.271 19425 11893 1 14 . 1 1 171 171 GLU CB C 171 28.693 28.693 28.641 0.052 19425 11894 1 14 . 1 1 171 171 GLU H H 171 8.540 8.540 8.603 -0.063 19425 11895 1 14 . 1 1 172 172 GLY N N 172 113.162 113.162 115.414 -2.252 19425 11896 1 14 . 1 1 172 172 GLY C C 172 177.504 177.504 174.396 3.108 19425 11897 1 14 . 1 1 172 172 GLY CA C 172 45.452 45.452 44.907 0.545 19425 11898 1 14 . 1 1 172 172 GLY H H 172 8.676 8.676 9.004 -0.328 19425 11899 1 14 . 1 1 173 173 GLU N N 173 119.545 119.545 121.447 -1.902 19425 11900 1 14 . 1 1 173 173 GLU C C 173 173.311 173.311 176.112 -2.801 19425 11901 1 14 . 1 1 173 173 GLU CA C 173 55.689 55.689 56.710 -1.021 19425 11902 1 14 . 1 1 173 173 GLU CB C 173 31.204 31.204 30.780 0.424 19425 11903 1 14 . 1 1 173 173 GLU H H 173 7.805 7.805 7.868 -0.063 19425 11904 1 14 . 1 1 174 174 LYS N N 174 120.834 120.834 121.550 -0.716 19425 11905 1 14 . 1 1 174 174 LYS C C 174 175.352 175.352 176.709 -1.357 19425 11906 1 14 . 1 1 174 174 LYS CA C 174 57.207 57.207 56.927 0.280 19425 11907 1 14 . 1 1 174 174 LYS CB C 174 34.185 34.185 32.751 1.435 19425 11908 1 14 . 1 1 174 174 LYS H H 174 8.215 8.215 8.451 -0.236 19425 11909 1 14 . 1 1 175 175 VAL N N 175 122.529 122.529 124.585 -2.056 19425 11910 1 14 . 1 1 175 175 VAL C C 175 176.595 176.595 175.484 1.111 19425 11911 1 14 . 1 1 175 175 VAL CA C 175 63.046 63.046 61.016 2.030 19425 11912 1 14 . 1 1 175 175 VAL CB C 175 31.265 31.265 31.173 0.092 19425 11913 1 14 . 1 1 175 175 VAL H H 175 7.914 7.914 8.581 -0.667 19425 11914 1 14 . 1 1 176 176 ARG N N 176 127.622 127.622 127.435 0.187 19425 11915 1 14 . 1 1 176 176 ARG C C 176 175.742 175.742 176.910 -1.168 19425 11916 1 14 . 1 1 176 176 ARG CA C 176 55.767 55.767 54.863 0.904 19425 11917 1 14 . 1 1 176 176 ARG CB C 176 30.480 30.480 31.355 -0.875 19425 11918 1 14 . 1 1 176 176 ARG H H 176 7.570 7.570 8.277 -0.707 19425 11919 1 14 . 1 1 177 177 VAL N N 177 122.521 122.521 122.425 0.096 19425 11920 1 14 . 1 1 177 177 VAL C C 177 177.523 177.523 177.180 0.343 19425 11921 1 14 . 1 1 177 177 VAL CA C 177 65.322 65.322 64.460 0.862 19425 11922 1 14 . 1 1 177 177 VAL CB C 177 31.431 31.431 31.315 0.116 19425 11923 1 14 . 1 1 177 177 VAL H H 177 8.276 8.276 7.965 0.311 19425 11924 1 14 . 1 1 179 179 ASP N N 179 122.577 122.577 123.847 -1.270 19425 11925 1 14 . 1 1 179 179 ASP C C 179 174.554 174.554 175.792 -1.238 19425 11926 1 14 . 1 1 179 179 ASP CA C 179 54.687 54.687 54.868 -0.181 19425 11927 1 14 . 1 1 179 179 ASP CB C 179 40.417 40.417 41.093 -0.676 19425 11928 1 14 . 1 1 179 179 ASP H H 179 7.848 7.848 7.924 -0.076 19425 11929 1 14 . 1 1 180 180 ASP N N 180 121.916 121.916 124.431 -2.515 19425 11930 1 14 . 1 1 180 180 ASP C C 180 174.610 174.610 175.839 -1.229 19425 11931 1 14 . 1 1 180 180 ASP CA C 180 54.379 54.379 54.919 -0.540 19425 11932 1 14 . 1 1 180 180 ASP CB C 180 42.178 42.178 40.809 1.369 19425 11933 1 14 . 1 1 180 180 ASP H H 180 8.521 8.521 8.546 -0.025 19425 11934 1 14 . 1 1 181 181 LEU N N 181 121.499 121.499 123.566 -2.067 19425 11935 1 14 . 1 1 181 181 LEU C C 181 175.166 175.166 176.662 -1.496 19425 11936 1 14 . 1 1 181 181 LEU CA C 181 54.379 54.379 53.624 0.755 19425 11937 1 14 . 1 1 181 181 LEU CB C 181 45.395 45.395 44.691 0.705 19425 11938 1 14 . 1 1 181 181 LEU H H 181 9.782 9.782 9.117 0.665 19425 11939 1 14 . 1 1 185 185 SER N N 185 122.939 122.939 121.083 1.856 19425 11940 1 14 . 1 1 185 185 SER C C 185 175.871 175.871 175.734 0.137 19425 11941 1 14 . 1 1 185 185 SER CA C 185 57.514 57.514 57.408 0.106 19425 11942 1 14 . 1 1 185 185 SER CB C 185 62.772 62.772 63.122 -0.350 19425 11943 1 14 . 1 1 185 185 SER H H 185 9.183 9.183 8.862 0.321 19425 11944 1 14 . 1 1 186 186 VAL N N 186 131.799 131.799 129.480 2.319 19425 11945 1 14 . 1 1 186 186 VAL C C 186 177.226 177.226 177.254 -0.028 19425 11946 1 14 . 1 1 186 186 VAL CA C 186 65.883 65.883 65.553 0.330 19425 11947 1 14 . 1 1 186 186 VAL CB C 186 31.190 31.190 31.750 -0.560 19425 11948 1 14 . 1 1 186 186 VAL H H 186 8.285 8.285 8.464 -0.179 19425 11949 1 14 . 1 1 187 187 SER N N 187 110.228 110.228 113.468 -3.240 19425 11950 1 14 . 1 1 187 187 SER C C 187 177.077 177.077 175.372 1.705 19425 11951 1 14 . 1 1 187 187 SER CA C 187 60.200 60.200 60.190 0.010 19425 11952 1 14 . 1 1 187 187 SER CB C 187 62.264 62.264 63.612 -1.349 19425 11953 1 14 . 1 1 187 187 SER H H 187 7.000 7.000 8.083 -1.083 19425 11954 1 14 . 1 1 188 188 SER N N 188 115.022 115.022 114.252 0.770 19425 11955 1 14 . 1 1 188 188 SER C C 188 176.632 176.632 174.585 2.047 19425 11956 1 14 . 1 1 188 188 SER CA C 188 58.889 58.889 57.751 1.138 19425 11957 1 14 . 1 1 188 188 SER CB C 188 66.818 66.818 64.749 2.069 19425 11958 1 14 . 1 1 188 188 SER H H 188 7.886 7.886 7.563 0.323 19425 11959 1 14 . 1 1 189 189 GLU N N 189 118.477 118.477 118.945 -0.468 19425 11960 1 14 . 1 1 189 189 GLU C C 189 175.000 175.000 174.626 0.374 19425 11961 1 14 . 1 1 189 189 GLU CA C 189 58.562 58.562 58.098 0.464 19425 11962 1 14 . 1 1 189 189 GLU CB C 189 27.420 27.420 27.070 0.350 19425 11963 1 14 . 1 1 189 189 GLU H H 189 7.929 7.929 8.465 -0.536 19425 11964 1 14 . 1 1 190 190 ARG N N 190 116.828 116.828 117.175 -0.347 19425 11965 1 14 . 1 1 190 190 ARG C C 190 173.868 173.868 176.005 -2.137 19425 11966 1 14 . 1 1 190 190 ARG CA C 190 54.238 54.238 54.487 -0.249 19425 11967 1 14 . 1 1 190 190 ARG CB C 190 32.141 32.141 32.974 -0.833 19425 11968 1 14 . 1 1 190 190 ARG H H 190 6.723 6.723 7.197 -0.474 19425 11969 1 14 . 1 1 191 191 TYR N N 191 118.733 118.733 121.319 -2.586 19425 11970 1 14 . 1 1 191 191 TYR C C 191 174.368 174.368 177.297 -2.929 19425 11971 1 14 . 1 1 191 191 TYR CA C 191 57.405 57.405 58.690 -1.285 19425 11972 1 14 . 1 1 191 191 TYR CB C 191 39.444 39.444 39.496 -0.052 19425 11973 1 14 . 1 1 191 191 TYR H H 191 8.912 8.912 9.028 -0.116 19425 11974 1 14 . 1 1 192 192 LEU N N 192 123.460 123.460 124.469 -1.009 19425 11975 1 14 . 1 1 192 192 LEU C C 192 176.753 176.753 175.989 0.764 19425 11976 1 14 . 1 1 192 192 LEU CA C 192 57.061 57.061 54.167 2.894 19425 11977 1 14 . 1 1 192 192 LEU CB C 192 41.351 41.351 40.585 0.766 19425 11978 1 14 . 1 1 192 192 LEU H H 192 8.836 8.836 8.902 -0.066 19425 11979 1 14 . 1 1 193 193 HIS N N 193 134.195 134.195 125.338 8.857 19425 11980 1 14 . 1 1 193 193 HIS C C 193 178.766 178.766 174.439 4.327 19425 11981 1 14 . 1 1 193 193 HIS CA C 193 56.349 56.349 56.019 0.330 19425 11982 1 14 . 1 1 193 193 HIS CB C 193 31.613 31.613 31.845 -0.232 19425 11983 1 14 . 1 1 193 193 HIS H H 193 10.227 10.227 8.864 1.363 19425 11984 1 14 . 1 1 194 194 LEU N N 194 128.500 128.500 127.162 1.338 19425 11985 1 14 . 1 1 194 194 LEU C C 194 170.268 170.268 175.267 -4.999 19425 11986 1 14 . 1 1 194 194 LEU CA C 194 54.139 54.139 54.142 -0.003 19425 11987 1 14 . 1 1 194 194 LEU CB C 194 44.036 44.036 43.260 0.776 19425 11988 1 14 . 1 1 194 194 LEU H H 194 7.784 7.784 7.681 0.103 19425 11989 1 14 . 1 1 195 195 SER N N 195 122.195 122.195 123.060 -0.865 19425 11990 1 14 . 1 1 195 195 SER C C 195 174.740 174.740 173.341 1.399 19425 11991 1 14 . 1 1 195 195 SER CA C 195 56.814 56.814 57.295 -0.482 19425 11992 1 14 . 1 1 195 195 SER CB C 195 66.260 66.260 65.953 0.307 19425 11993 1 14 . 1 1 195 195 SER H H 195 9.042 9.042 8.987 0.055 19425 11994 1 14 . 1 1 196 196 TYR N N 196 124.809 124.809 127.027 -2.218 19425 11995 1 14 . 1 1 196 196 TYR C C 196 172.439 172.439 175.327 -2.888 19425 11996 1 14 . 1 1 196 196 TYR CA C 196 57.019 57.019 57.154 -0.135 19425 11997 1 14 . 1 1 196 196 TYR CB C 196 39.817 39.817 38.592 1.225 19425 11998 1 14 . 1 1 196 196 TYR H H 196 8.657 8.657 8.905 -0.248 19425 11999 1 14 . 1 1 197 197 GLY N N 197 114.111 114.111 114.065 0.046 19425 12000 1 14 . 1 1 197 197 GLY C C 197 176.113 176.113 173.948 2.165 19425 12001 1 14 . 1 1 197 197 GLY CA C 197 45.492 45.492 44.337 1.155 19425 12002 1 14 . 1 1 197 197 GLY H H 197 8.030 8.030 8.726 -0.696 19425 12003 1 14 . 1 1 200 200 SER N N 200 113.158 113.158 115.586 -2.428 19425 12004 1 14 . 1 1 200 200 SER C C 200 172.661 172.661 172.218 0.443 19425 12005 1 14 . 1 1 200 200 SER CA C 200 56.890 56.890 57.308 -0.418 19425 12006 1 14 . 1 1 200 200 SER CB C 200 65.522 65.522 65.046 0.476 19425 12007 1 14 . 1 1 200 200 SER H H 200 6.893 6.893 7.409 -0.516 19425 12008 1 14 . 1 1 201 201 TRP N N 201 122.521 122.521 120.410 2.111 19425 12009 1 14 . 1 1 201 201 TRP C C 201 171.813 171.813 175.871 -4.058 19425 12010 1 14 . 1 1 201 201 TRP CA C 201 56.990 56.990 56.146 0.844 19425 12011 1 14 . 1 1 201 201 TRP CB C 201 31.501 31.501 31.824 -0.323 19425 12012 1 14 . 1 1 201 201 TRP H H 201 8.243 8.243 8.208 0.035 19425 12013 1 14 . 1 1 202 202 HIS N N 202 121.171 121.171 118.392 2.779 19425 12014 1 14 . 1 1 202 202 HIS C C 202 173.805 173.805 173.232 0.573 19425 12015 1 14 . 1 1 202 202 HIS CA C 202 55.169 55.169 54.986 0.183 19425 12016 1 14 . 1 1 202 202 HIS CB C 202 32.254 32.254 34.591 -2.337 19425 12017 1 14 . 1 1 202 202 HIS H H 202 9.383 9.383 9.510 -0.127 19425 12018 1 14 . 1 1 203 203 VAL N N 203 119.943 119.943 120.779 -0.836 19425 12019 1 14 . 1 1 203 203 VAL C C 203 172.439 172.439 174.107 -1.668 19425 12020 1 14 . 1 1 203 203 VAL CA C 203 58.683 58.683 59.800 -1.117 19425 12021 1 14 . 1 1 203 203 VAL CB C 203 33.957 33.957 34.128 -0.171 19425 12022 1 14 . 1 1 203 203 VAL H H 203 8.649 8.649 8.888 -0.239 19425 12023 1 14 . 1 1 204 204 ASP N N 204 127.907 127.907 127.026 0.881 19425 12024 1 14 . 1 1 204 204 ASP C C 204 173.162 173.162 173.684 -0.522 19425 12025 1 14 . 1 1 204 204 ASP CA C 204 53.545 53.545 52.387 1.158 19425 12026 1 14 . 1 1 204 204 ASP CB C 204 42.169 42.169 44.249 -2.080 19425 12027 1 14 . 1 1 204 204 ASP H H 204 9.822 9.822 8.908 0.914 19425 12028 1 14 . 1 1 205 205 ALA N N 205 121.047 121.047 120.913 0.134 19425 12029 1 14 . 1 1 205 205 ALA C C 205 172.754 172.754 176.185 -3.431 19425 12030 1 14 . 1 1 205 205 ALA CA C 205 50.147 50.147 50.759 -0.612 19425 12031 1 14 . 1 1 205 205 ALA CB C 205 19.642 19.642 19.397 0.245 19425 12032 1 14 . 1 1 205 205 ALA H H 205 9.176 9.176 8.395 0.781 19425 12033 1 14 . 1 1 206 206 ALA N N 206 127.318 127.318 126.363 0.955 19425 12034 1 14 . 1 1 206 206 ALA C C 206 176.465 176.465 175.770 0.695 19425 12035 1 14 . 1 1 206 206 ALA CA C 206 50.609 50.609 50.449 0.160 19425 12036 1 14 . 1 1 206 206 ALA CB C 206 23.819 23.819 22.201 1.618 19425 12037 1 14 . 1 1 206 206 ALA H H 206 9.088 9.088 8.184 0.904 19425 12038 1 14 . 1 1 207 207 PHE N N 207 117.878 117.878 116.589 1.289 19425 12039 1 14 . 1 1 207 207 PHE C C 207 176.576 176.576 175.739 0.837 19425 12040 1 14 . 1 1 207 207 PHE CA C 207 59.714 59.714 58.829 0.885 19425 12041 1 14 . 1 1 207 207 PHE CB C 207 38.239 38.239 38.944 -0.706 19425 12042 1 14 . 1 1 207 207 PHE H H 207 8.953 8.953 8.528 0.425 19425 12043 1 14 . 1 1 208 208 GLN N N 208 117.531 117.531 117.070 0.461 19425 12044 1 14 . 1 1 208 208 GLN C C 208 175.166 175.166 175.506 -0.340 19425 12045 1 14 . 1 1 208 208 GLN CA C 208 55.096 55.096 54.062 1.034 19425 12046 1 14 . 1 1 208 208 GLN CB C 208 30.437 30.437 30.331 0.106 19425 12047 1 14 . 1 1 208 208 GLN H H 208 6.613 6.613 7.760 -1.147 19425 12048 1 14 . 1 1 209 209 GLN N N 209 117.318 117.318 122.126 -4.808 19425 12049 1 14 . 1 1 209 209 GLN C C 209 173.162 173.162 175.645 -2.483 19425 12050 1 14 . 1 1 209 209 GLN CA C 209 56.217 56.217 56.720 -0.503 19425 12051 1 14 . 1 1 209 209 GLN CB C 209 29.912 29.912 29.422 0.490 19425 12052 1 14 . 1 1 209 209 GLN H H 209 8.108 8.108 8.288 -0.180 19425 12053 1 14 . 1 1 210 210 THR N N 210 116.616 116.616 114.360 2.256 19425 12054 1 14 . 1 1 210 210 THR C C 210 176.150 176.150 172.802 3.348 19425 12055 1 14 . 1 1 210 210 THR CA C 210 62.848 62.848 61.959 0.889 19425 12056 1 14 . 1 1 210 210 THR CB C 210 73.244 73.244 70.256 2.988 19425 12057 1 14 . 1 1 210 210 THR H H 210 6.641 6.641 8.266 -1.625 19425 12058 1 14 . 1 1 211 211 LEU N N 211 126.776 126.776 126.886 -0.110 19425 12059 1 14 . 1 1 211 211 LEU C C 211 171.418 171.418 175.609 -4.191 19425 12060 1 14 . 1 1 211 211 LEU CA C 211 55.012 55.012 54.769 0.243 19425 12061 1 14 . 1 1 211 211 LEU CB C 211 41.627 41.627 42.159 -0.532 19425 12062 1 14 . 1 1 211 211 LEU H H 211 8.418 8.418 8.521 -0.103 19425 12063 1 14 . 1 1 212 212 TRP N N 212 124.678 124.678 124.360 0.318 19425 12064 1 14 . 1 1 212 212 TRP C C 212 175.742 175.742 175.819 -0.077 19425 12065 1 14 . 1 1 212 212 TRP CA C 212 56.052 56.052 55.683 0.369 19425 12066 1 14 . 1 1 212 212 TRP CB C 212 31.169 31.169 33.046 -1.877 19425 12067 1 14 . 1 1 212 212 TRP H H 212 9.462 9.462 9.186 0.276 19425 12068 1 14 . 1 1 213 213 SER N N 213 118.197 118.197 117.105 1.092 19425 12069 1 14 . 1 1 213 213 SER C C 213 175.575 175.575 173.856 1.719 19425 12070 1 14 . 1 1 213 213 SER CA C 213 57.141 57.141 56.743 0.398 19425 12071 1 14 . 1 1 213 213 SER CB C 213 64.800 64.800 63.541 1.259 19425 12072 1 14 . 1 1 213 213 SER H H 213 9.642 9.642 9.381 0.261 19425 12073 1 14 . 1 1 214 214 VAL N N 214 125.581 125.581 129.647 -4.066 19425 12074 1 14 . 1 1 214 214 VAL C C 214 174.183 174.183 174.709 -0.526 19425 12075 1 14 . 1 1 214 214 VAL CA C 214 61.398 61.398 61.837 -0.438 19425 12076 1 14 . 1 1 214 214 VAL CB C 214 32.502 32.502 31.734 0.768 19425 12077 1 14 . 1 1 214 214 VAL H H 214 8.433 8.433 8.681 -0.248 19425 12078 1 14 . 1 1 215 215 ALA N N 215 130.074 130.074 131.361 -1.287 19425 12079 1 14 . 1 1 215 215 ALA C C 215 174.647 174.647 174.290 0.357 19425 12080 1 14 . 1 1 215 215 ALA CA C 215 49.058 49.058 48.476 0.582 19425 12081 1 14 . 1 1 215 215 ALA CB C 215 20.299 20.299 20.389 -0.090 19425 12082 1 14 . 1 1 215 215 ALA H H 215 8.572 8.572 8.394 0.178 19425 12083 1 15 . 1 1 13 13 PHE N N 13 122.001 122.001 121.197 0.804 19425 12084 1 15 . 1 1 13 13 PHE C C 13 174.608 174.608 175.766 -1.158 19425 12085 1 15 . 1 1 13 13 PHE CA C 13 56.445 56.445 56.078 0.367 19425 12086 1 15 . 1 1 13 13 PHE CB C 13 41.650 41.650 42.094 -0.444 19425 12087 1 15 . 1 1 13 13 PHE H H 13 8.209 8.209 8.272 -0.063 19425 12088 1 15 . 1 1 14 14 LEU N N 14 122.475 122.475 123.708 -1.233 19425 12089 1 15 . 1 1 14 14 LEU C C 14 175.630 175.630 176.017 -0.387 19425 12090 1 15 . 1 1 14 14 LEU CA C 14 55.024 55.024 54.999 0.025 19425 12091 1 15 . 1 1 14 14 LEU CB C 14 43.987 43.987 42.047 1.940 19425 12092 1 15 . 1 1 14 14 LEU H H 14 8.264 8.264 9.024 -0.760 19425 12093 1 15 . 1 1 15 15 ARG N N 15 121.510 121.510 122.510 -1.000 19425 12094 1 15 . 1 1 15 15 ARG C C 15 175.630 175.630 177.159 -1.529 19425 12095 1 15 . 1 1 15 15 ARG CA C 15 54.007 54.007 52.839 1.168 19425 12096 1 15 . 1 1 15 15 ARG CB C 15 34.536 34.536 32.965 1.571 19425 12097 1 15 . 1 1 15 15 ARG H H 15 8.653 8.653 8.210 0.443 19425 12098 1 15 . 1 1 16 16 THR N N 16 110.840 110.840 112.931 -2.091 19425 12099 1 15 . 1 1 16 16 THR C C 16 175.946 175.946 174.840 1.106 19425 12100 1 15 . 1 1 16 16 THR CA C 16 62.950 62.950 62.793 0.157 19425 12101 1 15 . 1 1 16 16 THR CB C 16 69.276 69.276 69.512 -0.236 19425 12102 1 15 . 1 1 16 16 THR H H 16 8.815 8.815 8.461 0.354 19425 12103 1 15 . 1 1 17 17 ASP N N 17 114.036 114.036 118.126 -4.090 19425 12104 1 15 . 1 1 17 17 ASP C C 17 175.686 175.686 175.021 0.665 19425 12105 1 15 . 1 1 17 17 ASP CA C 17 57.735 57.735 56.890 0.845 19425 12106 1 15 . 1 1 17 17 ASP CB C 17 39.928 39.928 40.296 -0.368 19425 12107 1 15 . 1 1 17 17 ASP H H 17 9.241 9.241 8.757 0.484 19425 12108 1 15 . 1 1 18 18 ASP N N 18 122.062 122.062 121.213 0.849 19425 12109 1 15 . 1 1 18 18 ASP C C 18 175.946 175.946 175.611 0.335 19425 12110 1 15 . 1 1 18 18 ASP CA C 18 56.214 56.214 54.789 1.425 19425 12111 1 15 . 1 1 18 18 ASP CB C 18 40.985 40.985 41.400 -0.415 19425 12112 1 15 . 1 1 18 18 ASP H H 18 8.035 8.035 7.508 0.527 19425 12113 1 15 . 1 1 19 19 GLU N N 19 122.006 122.006 123.619 -1.613 19425 12114 1 15 . 1 1 19 19 GLU C C 19 175.055 175.055 176.225 -1.170 19425 12115 1 15 . 1 1 19 19 GLU CA C 19 55.262 55.262 56.640 -1.378 19425 12116 1 15 . 1 1 19 19 GLU CB C 19 30.712 30.712 30.410 0.302 19425 12117 1 15 . 1 1 19 19 GLU H H 19 8.274 8.274 8.586 -0.312 19425 12118 1 15 . 1 1 20 20 VAL N N 20 118.214 118.214 121.681 -3.467 19425 12119 1 15 . 1 1 20 20 VAL C C 20 176.855 176.855 173.737 3.118 19425 12120 1 15 . 1 1 20 20 VAL CA C 20 59.054 59.054 59.122 -0.068 19425 12121 1 15 . 1 1 20 20 VAL CB C 20 36.780 36.780 36.283 0.497 19425 12122 1 15 . 1 1 20 20 VAL H H 20 9.779 9.779 9.115 0.664 19425 12123 1 15 . 1 1 21 21 VAL N N 21 115.443 115.443 115.342 0.101 19425 12124 1 15 . 1 1 21 21 VAL C C 21 173.830 173.830 174.261 -0.431 19425 12125 1 15 . 1 1 21 21 VAL CA C 21 60.308 60.308 60.090 0.218 19425 12126 1 15 . 1 1 21 21 VAL CB C 21 34.625 34.625 35.192 -0.567 19425 12127 1 15 . 1 1 21 21 VAL H H 21 8.167 8.167 8.492 -0.325 19425 12128 1 15 . 1 1 22 22 LEU N N 22 128.072 128.072 128.067 0.005 19425 12129 1 15 . 1 1 22 22 LEU C C 22 174.858 174.858 176.073 -1.215 19425 12130 1 15 . 1 1 22 22 LEU CA C 22 55.656 55.656 54.401 1.255 19425 12131 1 15 . 1 1 22 22 LEU CB C 22 42.545 42.545 42.003 0.542 19425 12132 1 15 . 1 1 22 22 LEU H H 22 10.103 10.103 8.894 1.209 19425 12133 1 15 . 1 1 23 23 GLN N N 23 120.609 120.609 122.790 -2.181 19425 12134 1 15 . 1 1 23 23 GLN C C 23 175.500 175.500 174.593 0.907 19425 12135 1 15 . 1 1 23 23 GLN CA C 23 53.710 53.710 54.323 -0.613 19425 12136 1 15 . 1 1 23 23 GLN CB C 23 33.697 33.697 33.562 0.135 19425 12137 1 15 . 1 1 23 23 GLN H H 23 9.119 9.119 8.750 0.369 19425 12138 1 15 . 1 1 24 24 CYS N N 24 118.659 118.659 119.572 -0.913 19425 12139 1 15 . 1 1 24 24 CYS C C 24 174.443 174.443 172.918 1.525 19425 12140 1 15 . 1 1 24 24 CYS CA C 24 55.261 55.261 56.712 -1.451 19425 12141 1 15 . 1 1 24 24 CYS CB C 24 30.302 30.302 30.265 0.037 19425 12142 1 15 . 1 1 24 24 CYS H H 24 8.993 8.993 9.057 -0.064 19425 12143 1 15 . 1 1 25 25 THR N N 25 116.266 116.266 122.482 -6.216 19425 12144 1 15 . 1 1 25 25 THR C C 25 172.457 172.457 173.513 -1.056 19425 12145 1 15 . 1 1 25 25 THR CA C 25 61.858 61.858 63.036 -1.178 19425 12146 1 15 . 1 1 25 25 THR CB C 25 70.271 70.271 68.954 1.317 19425 12147 1 15 . 1 1 25 25 THR H H 25 8.480 8.480 8.500 -0.020 19425 12148 1 15 . 1 1 26 26 ALA N N 26 129.739 129.739 130.890 -1.151 19425 12149 1 15 . 1 1 26 26 ALA C C 26 172.717 172.717 175.232 -2.515 19425 12150 1 15 . 1 1 26 26 ALA CA C 26 50.642 50.642 50.241 0.401 19425 12151 1 15 . 1 1 26 26 ALA CB C 26 21.315 21.315 20.036 1.279 19425 12152 1 15 . 1 1 26 26 ALA H H 26 8.590 8.590 8.705 -0.115 19425 12153 1 15 . 1 1 27 27 THR N N 27 116.574 116.574 118.983 -2.409 19425 12154 1 15 . 1 1 27 27 THR C C 27 173.181 173.181 173.786 -0.605 19425 12155 1 15 . 1 1 27 27 THR CA C 27 61.919 61.919 61.227 0.692 19425 12156 1 15 . 1 1 27 27 THR CB C 27 69.696 69.696 70.822 -1.126 19425 12157 1 15 . 1 1 27 27 THR H H 27 8.110 8.110 8.275 -0.165 19425 12158 1 15 . 1 1 28 28 ILE N N 28 126.342 126.342 124.622 1.720 19425 12159 1 15 . 1 1 28 28 ILE C C 28 173.793 173.793 174.458 -0.665 19425 12160 1 15 . 1 1 28 28 ILE CA C 28 60.407 60.407 61.413 -1.006 19425 12161 1 15 . 1 1 28 28 ILE CB C 28 39.536 39.536 40.305 -0.769 19425 12162 1 15 . 1 1 28 28 ILE H H 28 8.483 8.483 8.884 -0.401 19425 12163 1 15 . 1 1 29 29 HIS N N 29 126.364 126.364 124.570 1.794 19425 12164 1 15 . 1 1 29 29 HIS C C 29 175.259 175.259 174.213 1.046 19425 12165 1 15 . 1 1 29 29 HIS CA C 29 57.174 57.174 57.008 0.166 19425 12166 1 15 . 1 1 29 29 HIS CB C 29 28.029 28.029 28.284 -0.255 19425 12167 1 15 . 1 1 29 29 HIS H H 29 9.110 9.110 8.429 0.681 19425 12168 1 15 . 1 1 31 31 GLU N N 31 120.962 120.962 119.177 1.785 19425 12169 1 15 . 1 1 31 31 GLU C C 31 175.575 175.575 174.333 1.242 19425 12170 1 15 . 1 1 31 31 GLU CA C 31 55.394 55.394 55.286 0.108 19425 12171 1 15 . 1 1 31 31 GLU CB C 31 31.576 31.576 32.753 -1.177 19425 12172 1 15 . 1 1 31 31 GLU H H 31 8.047 8.047 7.703 0.344 19425 12173 1 15 . 1 1 32 32 GLN N N 32 123.171 123.171 125.230 -2.059 19425 12174 1 15 . 1 1 32 32 GLN C C 32 175.185 175.185 174.630 0.555 19425 12175 1 15 . 1 1 32 32 GLN CA C 32 54.496 54.496 54.367 0.129 19425 12176 1 15 . 1 1 32 32 GLN CB C 32 30.054 30.054 31.605 -1.551 19425 12177 1 15 . 1 1 32 32 GLN H H 32 8.646 8.646 8.712 -0.066 19425 12178 1 15 . 1 1 33 33 GLN N N 33 123.530 123.530 120.943 2.587 19425 12179 1 15 . 1 1 33 33 GLN C C 33 175.667 175.667 173.519 2.148 19425 12180 1 15 . 1 1 33 33 GLN CA C 33 54.616 54.616 54.263 0.353 19425 12181 1 15 . 1 1 33 33 GLN CB C 33 31.748 31.748 32.675 -0.927 19425 12182 1 15 . 1 1 33 33 GLN H H 33 8.839 8.839 8.796 0.043 19425 12183 1 15 . 1 1 34 34 LYS N N 34 124.601 124.601 120.732 3.869 19425 12184 1 15 . 1 1 34 34 LYS C C 34 173.812 173.812 175.013 -1.201 19425 12185 1 15 . 1 1 34 34 LYS CA C 34 55.755 55.755 55.248 0.506 19425 12186 1 15 . 1 1 34 34 LYS CB C 34 32.712 32.712 35.189 -2.477 19425 12187 1 15 . 1 1 34 34 LYS H H 34 8.589 8.589 8.398 0.191 19425 12188 1 15 . 1 1 35 35 LEU N N 35 126.071 126.071 122.759 3.312 19425 12189 1 15 . 1 1 35 35 LEU C C 35 175.445 175.445 175.445 0.000 19425 12190 1 15 . 1 1 35 35 LEU CA C 35 53.347 53.347 52.980 0.367 19425 12191 1 15 . 1 1 35 35 LEU CB C 35 44.943 44.943 46.107 -1.164 19425 12192 1 15 . 1 1 35 35 LEU H H 35 8.794 8.794 8.432 0.362 19425 12193 1 15 . 1 1 36 36 CYS N N 36 118.373 118.373 121.565 -3.192 19425 12194 1 15 . 1 1 36 36 CYS C C 36 176.057 176.057 174.464 1.593 19425 12195 1 15 . 1 1 36 36 CYS CA C 36 57.174 57.174 56.630 0.544 19425 12196 1 15 . 1 1 36 36 CYS CB C 36 30.306 30.306 29.744 0.562 19425 12197 1 15 . 1 1 36 36 CYS H H 36 9.042 9.042 8.796 0.246 19425 12198 1 15 . 1 1 37 37 LEU N N 37 129.256 129.256 129.339 -0.083 19425 12199 1 15 . 1 1 37 37 LEU C C 37 174.090 174.090 174.947 -0.857 19425 12200 1 15 . 1 1 37 37 LEU CA C 37 56.349 56.349 55.565 0.784 19425 12201 1 15 . 1 1 37 37 LEU CB C 37 42.689 42.689 42.288 0.401 19425 12202 1 15 . 1 1 37 37 LEU H H 37 8.811 8.811 8.916 -0.105 19425 12203 1 15 . 1 1 38 38 ALA N N 38 127.229 127.229 128.410 -1.181 19425 12204 1 15 . 1 1 38 38 ALA C C 38 174.517 174.517 175.093 -0.576 19425 12205 1 15 . 1 1 38 38 ALA CA C 38 50.609 50.609 49.413 1.196 19425 12206 1 15 . 1 1 38 38 ALA CB C 38 24.141 24.141 22.346 1.795 19425 12207 1 15 . 1 1 38 38 ALA H H 38 8.879 8.879 8.627 0.252 19425 12208 1 15 . 1 1 39 39 ALA N N 39 117.076 117.076 120.057 -2.981 19425 12209 1 15 . 1 1 39 39 ALA C C 39 174.665 174.665 174.621 0.044 19425 12210 1 15 . 1 1 39 39 ALA CA C 39 51.500 51.500 51.590 -0.090 19425 12211 1 15 . 1 1 39 39 ALA CB C 39 20.996 20.996 21.404 -0.408 19425 12212 1 15 . 1 1 39 39 ALA H H 39 6.837 6.837 7.677 -0.840 19425 12213 1 15 . 1 1 40 40 GLU N N 40 119.966 119.966 117.852 2.114 19425 12214 1 15 . 1 1 40 40 GLU C C 40 176.205 176.205 175.967 0.238 19425 12215 1 15 . 1 1 40 40 GLU CA C 40 55.950 55.950 54.441 1.509 19425 12216 1 15 . 1 1 40 40 GLU CB C 40 31.836 31.836 32.236 -0.400 19425 12217 1 15 . 1 1 40 40 GLU H H 40 8.413 8.413 8.509 -0.096 19425 12218 1 15 . 1 1 41 41 GLY N N 41 108.646 108.646 106.764 1.882 19425 12219 1 15 . 1 1 41 41 GLY C C 41 176.892 176.892 173.626 3.266 19425 12220 1 15 . 1 1 41 41 GLY CA C 41 45.628 45.628 45.111 0.517 19425 12221 1 15 . 1 1 41 41 GLY H H 41 8.463 8.463 8.786 -0.323 19425 12222 1 15 . 1 1 43 43 GLY N N 43 109.557 109.557 109.819 -0.262 19425 12223 1 15 . 1 1 43 43 GLY C C 43 176.465 176.465 174.550 1.915 19425 12224 1 15 . 1 1 43 43 GLY CA C 43 45.397 45.397 45.878 -0.481 19425 12225 1 15 . 1 1 43 43 GLY H H 43 8.510 8.510 8.899 -0.389 19425 12226 1 15 . 1 1 44 44 ASN N N 44 116.850 116.850 121.618 -4.768 19425 12227 1 15 . 1 1 44 44 ASN C C 44 173.830 173.830 175.358 -1.528 19425 12228 1 15 . 1 1 44 44 ASN CA C 44 54.184 54.184 52.684 1.500 19425 12229 1 15 . 1 1 44 44 ASN CB C 44 38.252 38.252 37.637 0.615 19425 12230 1 15 . 1 1 44 44 ASN H H 44 8.028 8.028 8.621 -0.593 19425 12231 1 15 . 1 1 45 45 ARG N N 45 118.226 118.226 114.442 3.784 19425 12232 1 15 . 1 1 45 45 ARG C C 45 174.072 174.072 174.610 -0.538 19425 12233 1 15 . 1 1 45 45 ARG CA C 45 56.077 56.077 57.278 -1.201 19425 12234 1 15 . 1 1 45 45 ARG CB C 45 31.231 31.231 27.073 4.158 19425 12235 1 15 . 1 1 45 45 ARG H H 45 7.759 7.759 7.470 0.289 19425 12236 1 15 . 1 1 46 46 LEU N N 46 124.643 124.643 118.747 5.896 19425 12237 1 15 . 1 1 46 46 LEU C C 46 176.447 176.447 176.957 -0.510 19425 12238 1 15 . 1 1 46 46 LEU CA C 46 54.667 54.667 54.630 0.037 19425 12239 1 15 . 1 1 46 46 LEU CB C 46 42.605 42.605 42.839 -0.234 19425 12240 1 15 . 1 1 46 46 LEU H H 46 8.695 8.695 8.039 0.656 19425 12241 1 15 . 1 1 47 47 CYS N N 47 119.241 119.241 120.433 -1.192 19425 12242 1 15 . 1 1 47 47 CYS C C 47 176.651 176.651 174.752 1.899 19425 12243 1 15 . 1 1 47 47 CYS CA C 47 55.885 55.885 60.737 -4.853 19425 12244 1 15 . 1 1 47 47 CYS CB C 47 31.112 31.112 28.366 2.746 19425 12245 1 15 . 1 1 47 47 CYS H H 47 9.007 9.007 8.467 0.540 19425 12246 1 15 . 1 1 48 48 PHE N N 48 114.081 114.081 118.882 -4.801 19425 12247 1 15 . 1 1 48 48 PHE C C 48 170.342 170.342 173.055 -2.713 19425 12248 1 15 . 1 1 48 48 PHE CA C 48 57.405 57.405 55.699 1.706 19425 12249 1 15 . 1 1 48 48 PHE CB C 48 43.263 43.263 40.200 3.063 19425 12250 1 15 . 1 1 48 48 PHE H H 48 8.647 8.647 8.438 0.209 19425 12251 1 15 . 1 1 49 49 LEU N N 49 122.287 122.287 119.216 3.071 19425 12252 1 15 . 1 1 49 49 LEU C C 49 176.236 176.236 176.187 0.049 19425 12253 1 15 . 1 1 49 49 LEU CA C 49 53.285 53.285 53.796 -0.511 19425 12254 1 15 . 1 1 49 49 LEU CB C 49 42.907 42.907 45.480 -2.574 19425 12255 1 15 . 1 1 49 49 LEU H H 49 9.108 9.108 8.849 0.259 19425 12256 1 15 . 1 1 50 50 GLU N N 50 123.206 123.206 122.757 0.449 19425 12257 1 15 . 1 1 50 50 GLU C C 50 177.671 177.671 175.491 2.180 19425 12258 1 15 . 1 1 50 50 GLU CA C 50 57.084 57.084 54.584 2.500 19425 12259 1 15 . 1 1 50 50 GLU CB C 50 30.123 30.123 33.055 -2.932 19425 12260 1 15 . 1 1 50 50 GLU H H 50 8.834 8.834 8.741 0.093 19425 12261 1 15 . 1 1 51 51 SER N N 51 118.500 118.500 120.648 -2.148 19425 12262 1 15 . 1 1 51 51 SER C C 51 176.706 176.706 174.677 2.029 19425 12263 1 15 . 1 1 51 51 SER CA C 51 58.560 58.560 58.701 -0.141 19425 12264 1 15 . 1 1 51 51 SER CB C 51 63.979 63.979 64.350 -0.371 19425 12265 1 15 . 1 1 51 51 SER H H 51 8.461 8.461 8.871 -0.410 19425 12266 1 15 . 1 1 52 52 THR N N 52 116.205 116.205 116.368 -0.163 19425 12267 1 15 . 1 1 52 52 THR C C 52 174.808 174.808 174.879 -0.071 19425 12268 1 15 . 1 1 52 52 THR CA C 52 61.891 61.891 60.453 1.438 19425 12269 1 15 . 1 1 52 52 THR CB C 52 70.076 70.076 70.554 -0.478 19425 12270 1 15 . 1 1 52 52 THR H H 52 8.199 8.199 8.233 -0.034 19425 12271 1 15 . 1 1 65 65 CYS N N 65 117.553 117.553 120.266 -2.713 19425 12272 1 15 . 1 1 65 65 CYS C C 65 176.948 176.948 174.399 2.549 19425 12273 1 15 . 1 1 65 65 CYS CA C 65 57.900 57.900 56.136 1.764 19425 12274 1 15 . 1 1 65 65 CYS CB C 65 30.290 30.290 27.031 3.259 19425 12275 1 15 . 1 1 65 65 CYS H H 65 7.539 7.539 7.682 -0.143 19425 12276 1 15 . 1 1 66 66 THR N N 66 113.614 113.614 119.320 -5.706 19425 12277 1 15 . 1 1 66 66 THR C C 66 180.325 180.325 173.410 6.915 19425 12278 1 15 . 1 1 66 66 THR CA C 66 63.399 63.399 63.439 -0.040 19425 12279 1 15 . 1 1 66 66 THR CB C 66 69.281 69.281 69.204 0.077 19425 12280 1 15 . 1 1 66 66 THR H H 66 6.851 6.851 7.273 -0.422 19425 12281 1 15 . 1 1 67 67 PHE N N 67 126.248 126.248 125.227 1.021 19425 12282 1 15 . 1 1 67 67 PHE C C 67 174.424 174.424 174.177 0.247 19425 12283 1 15 . 1 1 67 67 PHE CA C 67 56.184 56.184 56.607 -0.423 19425 12284 1 15 . 1 1 67 67 PHE CB C 67 43.291 43.291 44.399 -1.108 19425 12285 1 15 . 1 1 67 67 PHE H H 67 9.603 9.603 9.362 0.241 19425 12286 1 15 . 1 1 68 68 VAL N N 68 121.310 121.310 118.747 2.563 19425 12287 1 15 . 1 1 68 68 VAL C C 68 173.719 173.719 175.464 -1.745 19425 12288 1 15 . 1 1 68 68 VAL CA C 68 60.935 60.935 60.624 0.311 19425 12289 1 15 . 1 1 68 68 VAL CB C 68 34.522 34.522 34.633 -0.111 19425 12290 1 15 . 1 1 68 68 VAL H H 68 9.968 9.968 8.625 1.343 19425 12291 1 15 . 1 1 69 69 LEU N N 69 127.011 127.011 128.313 -1.302 19425 12292 1 15 . 1 1 69 69 LEU C C 69 177.152 177.152 177.930 -0.778 19425 12293 1 15 . 1 1 69 69 LEU CA C 69 53.083 53.083 54.405 -1.322 19425 12294 1 15 . 1 1 69 69 LEU CB C 69 39.652 39.652 39.370 0.282 19425 12295 1 15 . 1 1 69 69 LEU H H 69 8.135 8.135 8.601 -0.466 19425 12296 1 15 . 1 1 70 70 GLU N N 70 129.683 129.683 121.838 7.845 19425 12297 1 15 . 1 1 70 70 GLU C C 70 174.869 174.869 176.988 -2.119 19425 12298 1 15 . 1 1 70 70 GLU CA C 70 59.747 59.747 59.228 0.519 19425 12299 1 15 . 1 1 70 70 GLU CB C 70 31.291 31.291 29.924 1.367 19425 12300 1 15 . 1 1 70 70 GLU H H 70 8.654 8.654 8.270 0.384 19425 12301 1 15 . 1 1 71 71 GLN N N 71 110.287 110.287 116.966 -6.679 19425 12302 1 15 . 1 1 71 71 GLN C C 71 176.094 176.094 175.042 1.052 19425 12303 1 15 . 1 1 71 71 GLN CA C 71 54.030 54.030 54.482 -0.452 19425 12304 1 15 . 1 1 71 71 GLN CB C 71 33.112 33.112 32.559 0.553 19425 12305 1 15 . 1 1 71 71 GLN H H 71 7.318 7.318 7.651 -0.333 19425 12306 1 15 . 1 1 72 72 SER N N 72 116.205 116.205 117.998 -1.793 19425 12307 1 15 . 1 1 72 72 SER C C 72 174.035 174.035 173.274 0.761 19425 12308 1 15 . 1 1 72 72 SER CA C 72 58.132 58.132 58.484 -0.352 19425 12309 1 15 . 1 1 72 72 SER CB C 72 64.295 64.295 63.206 1.089 19425 12310 1 15 . 1 1 72 72 SER H H 72 8.380 8.380 8.808 -0.428 19425 12311 1 15 . 1 1 73 73 LEU N N 73 127.858 127.858 126.085 1.773 19425 12312 1 15 . 1 1 73 73 LEU C C 73 173.701 173.701 175.574 -1.873 19425 12313 1 15 . 1 1 73 73 LEU CA C 73 53.347 53.347 53.216 0.131 19425 12314 1 15 . 1 1 73 73 LEU CB C 73 45.926 45.926 45.396 0.530 19425 12315 1 15 . 1 1 73 73 LEU H H 73 9.532 9.532 8.950 0.582 19425 12316 1 15 . 1 1 74 74 SER N N 74 115.724 115.724 114.965 0.759 19425 12317 1 15 . 1 1 74 74 SER C C 74 177.541 177.541 175.825 1.716 19425 12318 1 15 . 1 1 74 74 SER CA C 74 57.905 57.905 57.915 -0.010 19425 12319 1 15 . 1 1 74 74 SER CB C 74 63.901 63.901 63.852 0.049 19425 12320 1 15 . 1 1 74 74 SER H H 74 8.240 8.240 8.092 0.148 19425 12321 1 15 . 1 1 75 75 VAL N N 75 122.994 122.994 124.928 -1.934 19425 12322 1 15 . 1 1 75 75 VAL C C 75 174.610 174.610 177.746 -3.136 19425 12323 1 15 . 1 1 75 75 VAL CA C 75 67.104 67.104 67.099 0.005 19425 12324 1 15 . 1 1 75 75 VAL CB C 75 30.953 30.953 31.176 -0.223 19425 12325 1 15 . 1 1 75 75 VAL H H 75 9.056 9.056 8.990 0.066 19425 12326 1 15 . 1 1 76 76 ARG N N 76 119.193 119.193 120.384 -1.191 19425 12327 1 15 . 1 1 76 76 ARG C C 76 178.228 178.228 178.381 -0.153 19425 12328 1 15 . 1 1 76 76 ARG CA C 76 59.087 59.087 59.491 -0.404 19425 12329 1 15 . 1 1 76 76 ARG CB C 76 29.280 29.280 29.867 -0.587 19425 12330 1 15 . 1 1 76 76 ARG H H 76 8.137 8.137 8.413 -0.276 19425 12331 1 15 . 1 1 77 77 ALA N N 77 122.977 122.977 121.697 1.280 19425 12332 1 15 . 1 1 77 77 ALA C C 77 178.506 178.506 179.556 -1.050 19425 12333 1 15 . 1 1 77 77 ALA CA C 77 54.926 54.926 54.804 0.121 19425 12334 1 15 . 1 1 77 77 ALA CB C 77 18.231 18.231 18.336 -0.105 19425 12335 1 15 . 1 1 77 77 ALA H H 77 7.699 7.699 7.519 0.180 19425 12336 1 15 . 1 1 78 78 LEU N N 78 121.115 121.115 120.244 0.871 19425 12337 1 15 . 1 1 78 78 LEU C C 78 180.640 180.640 178.457 2.183 19425 12338 1 15 . 1 1 78 78 LEU CA C 78 57.985 57.985 57.235 0.750 19425 12339 1 15 . 1 1 78 78 LEU CB C 78 40.522 40.522 41.272 -0.750 19425 12340 1 15 . 1 1 78 78 LEU H H 78 8.303 8.303 8.255 0.048 19425 12341 1 15 . 1 1 79 79 GLN N N 79 116.873 116.873 117.373 -0.500 19425 12342 1 15 . 1 1 79 79 GLN C C 79 177.875 177.875 178.348 -0.473 19425 12343 1 15 . 1 1 79 79 GLN CA C 79 59.069 59.069 59.139 -0.070 19425 12344 1 15 . 1 1 79 79 GLN CB C 79 27.254 27.254 28.374 -1.120 19425 12345 1 15 . 1 1 79 79 GLN H H 79 8.390 8.390 8.255 0.135 19425 12346 1 15 . 1 1 80 80 GLU N N 80 120.455 120.455 120.970 -0.515 19425 12347 1 15 . 1 1 80 80 GLU C C 80 179.749 179.749 178.886 0.863 19425 12348 1 15 . 1 1 80 80 GLU CA C 80 59.413 59.413 59.289 0.124 19425 12349 1 15 . 1 1 80 80 GLU CB C 80 29.142 29.142 29.489 -0.347 19425 12350 1 15 . 1 1 80 80 GLU H H 80 7.942 7.942 7.901 0.041 19425 12351 1 15 . 1 1 81 81 MET N N 81 120.541 120.541 118.294 2.247 19425 12352 1 15 . 1 1 81 81 MET C C 81 178.599 178.599 178.935 -0.336 19425 12353 1 15 . 1 1 81 81 MET CA C 81 59.665 59.665 59.298 0.367 19425 12354 1 15 . 1 1 81 81 MET CB C 81 32.534 32.534 32.866 -0.332 19425 12355 1 15 . 1 1 81 81 MET H H 81 7.870 7.870 8.074 -0.204 19425 12356 1 15 . 1 1 82 82 LEU N N 82 119.662 119.662 119.027 0.635 19425 12357 1 15 . 1 1 82 82 LEU C C 82 179.638 179.638 179.130 0.508 19425 12358 1 15 . 1 1 82 82 LEU CA C 82 57.669 57.669 57.154 0.515 19425 12359 1 15 . 1 1 82 82 LEU CB C 82 40.783 40.783 41.645 -0.862 19425 12360 1 15 . 1 1 82 82 LEU H H 82 8.488 8.488 7.949 0.539 19425 12361 1 15 . 1 1 83 83 ALA N N 83 120.827 120.827 121.105 -0.278 19425 12362 1 15 . 1 1 83 83 ALA C C 83 179.323 179.323 179.868 -0.545 19425 12363 1 15 . 1 1 83 83 ALA CA C 83 54.073 54.073 54.850 -0.777 19425 12364 1 15 . 1 1 83 83 ALA CB C 83 18.326 18.326 18.231 0.095 19425 12365 1 15 . 1 1 83 83 ALA H H 83 7.704 7.704 8.166 -0.462 19425 12366 1 15 . 1 1 84 84 ASN N N 84 115.853 115.853 115.050 0.803 19425 12367 1 15 . 1 1 84 84 ASN C C 84 178.944 178.944 176.230 2.714 19425 12368 1 15 . 1 1 84 84 ASN CA C 84 54.167 54.167 55.422 -1.255 19425 12369 1 15 . 1 1 84 84 ASN CB C 84 39.465 39.465 38.656 0.809 19425 12370 1 15 . 1 1 84 84 ASN H H 84 7.729 7.729 7.949 -0.220 19425 12371 1 15 . 1 1 85 85 THR N N 85 112.611 112.611 109.847 2.764 19425 12372 1 15 . 1 1 85 85 THR C C 85 175.569 175.569 175.124 0.445 19425 12373 1 15 . 1 1 85 85 THR CA C 85 63.086 63.086 62.986 0.100 19425 12374 1 15 . 1 1 85 85 THR CB C 85 70.071 70.071 68.793 1.278 19425 12375 1 15 . 1 1 85 85 THR H H 85 7.698 7.698 7.257 0.441 19425 12376 1 15 . 1 1 86 86 VAL N N 86 121.812 121.812 120.297 1.515 19425 12377 1 15 . 1 1 86 86 VAL C C 86 174.573 174.573 176.213 -1.640 19425 12378 1 15 . 1 1 86 86 VAL CA C 86 62.811 62.811 64.206 -1.395 19425 12379 1 15 . 1 1 86 86 VAL CB C 86 32.730 32.730 31.837 0.893 19425 12380 1 15 . 1 1 86 86 VAL H H 86 7.874 7.874 7.290 0.584 19425 12381 1 15 . 1 1 87 87 GLU N N 87 124.330 124.330 120.280 4.050 19425 12382 1 15 . 1 1 87 87 GLU C C 87 176.280 176.280 175.509 0.771 19425 12383 1 15 . 1 1 87 87 GLU CA C 87 56.877 56.877 55.334 1.543 19425 12384 1 15 . 1 1 87 87 GLU CB C 87 29.852 29.852 31.274 -1.422 19425 12385 1 15 . 1 1 87 87 GLU H H 87 8.403 8.403 7.754 0.649 19425 12386 1 15 . 1 1 88 88 LYS N N 88 122.065 122.065 125.469 -3.404 19425 12387 1 15 . 1 1 88 88 LYS C C 88 176.966 176.966 176.185 0.781 19425 12388 1 15 . 1 1 88 88 LYS CA C 88 56.799 56.799 56.929 -0.130 19425 12389 1 15 . 1 1 88 88 LYS CB C 88 32.597 32.597 31.420 1.177 19425 12390 1 15 . 1 1 88 88 LYS H H 88 8.330 8.330 8.671 -0.341 19425 12391 1 15 . 1 1 89 89 SER N N 89 116.192 116.192 119.101 -2.909 19425 12392 1 15 . 1 1 89 89 SER C C 89 176.865 176.865 174.401 2.464 19425 12393 1 15 . 1 1 89 89 SER CA C 89 59.008 59.008 58.097 0.911 19425 12394 1 15 . 1 1 89 89 SER CB C 89 63.765 63.765 64.328 -0.563 19425 12395 1 15 . 1 1 89 89 SER H H 89 8.247 8.247 8.593 -0.346 19425 12396 1 15 . 1 1 90 90 GLU N N 90 122.006 122.006 122.055 -0.049 19425 12397 1 15 . 1 1 90 90 GLU C C 90 174.702 174.702 176.450 -1.748 19425 12398 1 15 . 1 1 90 90 GLU CA C 90 57.231 57.231 56.842 0.389 19425 12399 1 15 . 1 1 90 90 GLU CB C 90 29.442 29.442 29.274 0.168 19425 12400 1 15 . 1 1 90 90 GLU H H 90 8.560 8.560 8.404 0.156 19425 12401 1 15 . 1 1 91 91 GLY N N 91 110.052 110.052 106.890 3.162 19425 12402 1 15 . 1 1 91 91 GLY C C 91 177.170 177.170 173.852 3.318 19425 12403 1 15 . 1 1 91 91 GLY CA C 91 45.634 45.634 44.766 0.868 19425 12404 1 15 . 1 1 91 91 GLY H H 91 8.358 8.358 8.209 0.149 19425 12405 1 15 . 1 1 92 92 GLN N N 92 120.053 120.053 121.581 -1.528 19425 12406 1 15 . 1 1 92 92 GLN C C 92 173.905 173.905 175.169 -1.264 19425 12407 1 15 . 1 1 92 92 GLN CA C 92 55.261 55.261 55.378 -0.117 19425 12408 1 15 . 1 1 92 92 GLN CB C 92 29.573 29.573 28.252 1.321 19425 12409 1 15 . 1 1 92 92 GLN H H 92 8.075 8.075 8.350 -0.275 19425 12410 1 15 . 1 1 93 93 VAL N N 93 123.434 123.434 121.788 1.646 19425 12411 1 15 . 1 1 93 93 VAL C C 93 175.667 175.667 174.495 1.172 19425 12412 1 15 . 1 1 93 93 VAL CA C 93 62.914 62.914 59.528 3.386 19425 12413 1 15 . 1 1 93 93 VAL CB C 93 32.629 32.629 34.848 -2.219 19425 12414 1 15 . 1 1 93 93 VAL H H 93 8.370 8.370 7.622 0.748 19425 12415 1 15 . 1 1 94 94 ASP N N 94 125.761 125.761 120.258 5.503 19425 12416 1 15 . 1 1 94 94 ASP C C 94 175.704 175.704 176.484 -0.780 19425 12417 1 15 . 1 1 94 94 ASP CA C 94 53.743 53.743 54.128 -0.385 19425 12418 1 15 . 1 1 94 94 ASP CB C 94 40.771 40.771 39.150 1.621 19425 12419 1 15 . 1 1 94 94 ASP H H 94 8.550 8.550 8.574 -0.024 19425 12420 1 15 . 1 1 95 95 VAL N N 95 125.064 125.064 115.452 9.612 19425 12421 1 15 . 1 1 95 95 VAL C C 95 176.465 176.465 176.628 -0.163 19425 12422 1 15 . 1 1 95 95 VAL CA C 95 65.487 65.487 63.657 1.829 19425 12423 1 15 . 1 1 95 95 VAL CB C 95 31.773 31.773 31.613 0.160 19425 12424 1 15 . 1 1 95 95 VAL H H 95 8.300 8.300 7.533 0.767 19425 12425 1 15 . 1 1 96 96 GLU N N 96 120.880 120.880 121.860 -0.980 19425 12426 1 15 . 1 1 96 96 GLU C C 96 177.523 177.523 176.960 0.563 19425 12427 1 15 . 1 1 96 96 GLU CA C 96 59.157 59.157 58.548 0.609 19425 12428 1 15 . 1 1 96 96 GLU CB C 96 28.575 28.575 29.247 -0.672 19425 12429 1 15 . 1 1 96 96 GLU H H 96 8.297 8.297 8.612 -0.315 19425 12430 1 15 . 1 1 97 97 LYS N N 97 121.943 121.943 117.456 4.487 19425 12431 1 15 . 1 1 97 97 LYS C C 97 179.434 179.434 178.658 0.776 19425 12432 1 15 . 1 1 97 97 LYS CA C 97 59.186 59.186 57.494 1.692 19425 12433 1 15 . 1 1 97 97 LYS CB C 97 32.036 32.036 32.160 -0.124 19425 12434 1 15 . 1 1 97 97 LYS H H 97 7.979 7.979 7.846 0.133 19425 12435 1 15 . 1 1 98 98 TRP N N 98 121.420 121.420 118.902 2.518 19425 12436 1 15 . 1 1 98 98 TRP C C 98 178.673 178.673 177.171 1.502 19425 12437 1 15 . 1 1 98 98 TRP CA C 98 60.176 60.176 58.503 1.673 19425 12438 1 15 . 1 1 98 98 TRP CB C 98 29.340 29.340 28.649 0.691 19425 12439 1 15 . 1 1 98 98 TRP H H 98 8.202 8.202 8.142 0.060 19425 12440 1 15 . 1 1 99 99 LYS N N 99 118.236 118.236 120.501 -2.265 19425 12441 1 15 . 1 1 99 99 LYS C C 99 177.374 177.374 178.782 -1.408 19425 12442 1 15 . 1 1 99 99 LYS CA C 99 59.812 59.812 58.682 1.130 19425 12443 1 15 . 1 1 99 99 LYS CB C 99 32.042 32.042 30.898 1.144 19425 12444 1 15 . 1 1 99 99 LYS H H 99 8.346 8.346 7.522 0.824 19425 12445 1 15 . 1 1 100 100 PHE N N 100 120.365 120.365 120.782 -0.417 19425 12446 1 15 . 1 1 100 100 PHE C C 100 179.193 179.193 177.370 1.823 19425 12447 1 15 . 1 1 100 100 PHE CA C 100 60.902 60.902 61.272 -0.370 19425 12448 1 15 . 1 1 100 100 PHE CB C 100 38.875 38.875 39.327 -0.452 19425 12449 1 15 . 1 1 100 100 PHE H H 100 7.916 7.916 7.460 0.456 19425 12450 1 15 . 1 1 101 101 MET N N 101 121.837 121.837 121.137 0.700 19425 12451 1 15 . 1 1 101 101 MET C C 101 178.172 178.172 178.290 -0.118 19425 12452 1 15 . 1 1 101 101 MET CA C 101 58.625 58.625 59.283 -0.658 19425 12453 1 15 . 1 1 101 101 MET CB C 101 32.081 32.081 33.012 -0.931 19425 12454 1 15 . 1 1 101 101 MET H H 101 8.393 8.393 8.275 0.118 19425 12455 1 15 . 1 1 102 102 MET N N 102 119.901 119.901 117.221 2.680 19425 12456 1 15 . 1 1 102 102 MET C C 102 178.655 178.655 178.381 0.274 19425 12457 1 15 . 1 1 102 102 MET CA C 102 57.867 57.867 57.064 0.803 19425 12458 1 15 . 1 1 102 102 MET CB C 102 32.414 32.414 31.402 1.012 19425 12459 1 15 . 1 1 102 102 MET H H 102 8.174 8.174 8.524 -0.350 19425 12460 1 15 . 1 1 103 103 LYS N N 103 120.555 120.555 120.435 0.120 19425 12461 1 15 . 1 1 103 103 LYS C C 103 177.857 177.857 179.097 -1.240 19425 12462 1 15 . 1 1 103 103 LYS CA C 103 58.592 58.592 59.897 -1.305 19425 12463 1 15 . 1 1 103 103 LYS CB C 103 31.816 31.816 32.292 -0.476 19425 12464 1 15 . 1 1 103 103 LYS H H 103 7.899 7.899 8.085 -0.186 19425 12465 1 15 . 1 1 104 104 THR N N 104 115.450 115.450 112.649 2.801 19425 12466 1 15 . 1 1 104 104 THR C C 104 179.267 179.267 176.487 2.780 19425 12467 1 15 . 1 1 104 104 THR CA C 104 64.914 64.914 65.500 -0.586 19425 12468 1 15 . 1 1 104 104 THR CB C 104 69.103 69.103 68.175 0.928 19425 12469 1 15 . 1 1 104 104 THR H H 104 7.895 7.895 7.924 -0.029 19425 12470 1 15 . 1 1 105 105 ALA N N 105 124.862 124.862 122.670 2.192 19425 12471 1 15 . 1 1 105 105 ALA C C 105 176.057 176.057 179.134 -3.077 19425 12472 1 15 . 1 1 105 105 ALA CA C 105 54.106 54.106 54.459 -0.353 19425 12473 1 15 . 1 1 105 105 ALA CB C 105 18.493 18.493 18.064 0.429 19425 12474 1 15 . 1 1 105 105 ALA H H 105 7.896 7.896 7.825 0.071 19425 12475 1 15 . 1 1 106 106 GLN N N 106 117.285 117.285 117.717 -0.432 19425 12476 1 15 . 1 1 106 106 GLN C C 106 178.655 178.655 177.400 1.255 19425 12477 1 15 . 1 1 106 106 GLN CA C 106 56.913 56.913 57.229 -0.316 19425 12478 1 15 . 1 1 106 106 GLN CB C 106 29.148 29.148 29.502 -0.354 19425 12479 1 15 . 1 1 106 106 GLN H H 106 7.944 7.944 8.030 -0.086 19425 12480 1 15 . 1 1 107 107 GLY N N 107 107.494 107.494 106.848 0.646 19425 12481 1 15 . 1 1 107 107 GLY C C 107 177.597 177.597 174.882 2.715 19425 12482 1 15 . 1 1 107 107 GLY CA C 107 45.975 45.975 45.267 0.708 19425 12483 1 15 . 1 1 107 107 GLY H H 107 7.852 7.852 7.874 -0.022 19425 12484 1 15 . 1 1 108 108 GLY N N 108 109.642 109.642 111.310 -1.668 19425 12485 1 15 . 1 1 108 108 GLY C C 108 174.740 174.740 174.532 0.208 19425 12486 1 15 . 1 1 108 108 GLY CA C 108 45.151 45.151 46.128 -0.977 19425 12487 1 15 . 1 1 108 108 GLY H H 108 8.313 8.313 8.345 -0.032 19425 12488 1 15 . 1 1 109 109 GLY N N 109 108.058 108.058 108.889 -0.831 19425 12489 1 15 . 1 1 109 109 GLY C C 109 174.313 174.313 172.239 2.074 19425 12490 1 15 . 1 1 109 109 GLY CA C 109 44.659 44.659 44.374 0.285 19425 12491 1 15 . 1 1 109 109 GLY H H 109 8.059 8.059 7.925 0.134 19425 12492 1 15 . 1 1 110 110 HIS N N 110 118.432 118.432 117.728 0.704 19425 12493 1 15 . 1 1 110 110 HIS C C 110 173.348 173.348 174.776 -1.428 19425 12494 1 15 . 1 1 110 110 HIS CA C 110 55.590 55.590 55.217 0.373 19425 12495 1 15 . 1 1 110 110 HIS CB C 110 28.502 28.502 31.972 -3.470 19425 12496 1 15 . 1 1 110 110 HIS H H 110 8.261 8.261 8.111 0.150 19425 12497 1 15 . 1 1 111 111 ARG N N 111 122.052 122.052 118.710 3.342 19425 12498 1 15 . 1 1 111 111 ARG C C 111 174.908 174.908 174.970 -0.062 19425 12499 1 15 . 1 1 111 111 ARG CA C 111 55.233 55.233 55.131 0.102 19425 12500 1 15 . 1 1 111 111 ARG CB C 111 31.125 31.125 32.723 -1.598 19425 12501 1 15 . 1 1 111 111 ARG H H 111 8.597 8.597 8.914 -0.317 19425 12502 1 15 . 1 1 112 112 THR N N 112 120.248 120.248 118.152 2.096 19425 12503 1 15 . 1 1 112 112 THR C C 112 176.447 176.447 174.585 1.862 19425 12504 1 15 . 1 1 112 112 THR CA C 112 63.723 63.723 63.148 0.575 19425 12505 1 15 . 1 1 112 112 THR CB C 112 68.984 68.984 69.396 -0.412 19425 12506 1 15 . 1 1 112 112 THR H H 112 8.577 8.577 8.408 0.169 19425 12507 1 15 . 1 1 113 113 LEU N N 113 130.382 130.382 126.386 3.996 19425 12508 1 15 . 1 1 113 113 LEU C C 113 174.294 174.294 175.325 -1.031 19425 12509 1 15 . 1 1 113 113 LEU CA C 113 56.791 56.791 54.850 1.941 19425 12510 1 15 . 1 1 113 113 LEU CB C 113 41.705 41.705 42.770 -1.065 19425 12511 1 15 . 1 1 113 113 LEU H H 113 8.515 8.515 8.806 -0.291 19425 12512 1 15 . 1 1 114 114 LEU N N 114 118.829 118.829 122.230 -3.401 19425 12513 1 15 . 1 1 114 114 LEU C C 114 175.278 175.278 176.669 -1.391 19425 12514 1 15 . 1 1 114 114 LEU CA C 114 51.667 51.667 52.570 -0.903 19425 12515 1 15 . 1 1 114 114 LEU CB C 114 42.454 42.454 44.143 -1.689 19425 12516 1 15 . 1 1 114 114 LEU H H 114 6.454 6.454 8.128 -1.674 19425 12517 1 15 . 1 1 115 115 TYR N N 115 119.059 119.059 121.412 -2.353 19425 12518 1 15 . 1 1 115 115 TYR C C 115 177.152 177.152 177.316 -0.164 19425 12519 1 15 . 1 1 115 115 TYR CA C 115 62.452 62.452 60.658 1.794 19425 12520 1 15 . 1 1 115 115 TYR CB C 115 38.058 38.058 37.918 0.140 19425 12521 1 15 . 1 1 115 115 TYR H H 115 8.797 8.797 8.710 0.087 19425 12522 1 15 . 1 1 116 116 GLY N N 116 115.795 115.795 113.346 2.449 19425 12523 1 15 . 1 1 116 116 GLY C C 116 178.061 178.061 173.939 4.122 19425 12524 1 15 . 1 1 116 116 GLY CA C 116 45.100 45.100 45.076 0.024 19425 12525 1 15 . 1 1 116 116 GLY H H 116 9.672 9.672 9.138 0.534 19425 12526 1 15 . 1 1 117 117 HIS N N 117 122.193 122.193 121.594 0.599 19425 12527 1 15 . 1 1 117 117 HIS C C 117 175.463 175.463 173.828 1.635 19425 12528 1 15 . 1 1 117 117 HIS CA C 117 56.119 56.119 55.782 0.336 19425 12529 1 15 . 1 1 117 117 HIS CB C 117 32.293 32.293 30.303 1.990 19425 12530 1 15 . 1 1 117 117 HIS H H 117 8.113 8.113 7.842 0.271 19425 12531 1 15 . 1 1 118 118 ALA N N 118 120.893 120.893 126.658 -5.765 19425 12532 1 15 . 1 1 118 118 ALA C C 118 173.775 173.775 176.141 -2.366 19425 12533 1 15 . 1 1 118 118 ALA CA C 118 50.378 50.378 51.417 -1.040 19425 12534 1 15 . 1 1 118 118 ALA CB C 118 21.646 21.646 19.565 2.081 19425 12535 1 15 . 1 1 118 118 ALA H H 118 9.458 9.458 8.961 0.497 19425 12536 1 15 . 1 1 120 120 LEU N N 120 119.631 119.631 124.201 -4.570 19425 12537 1 15 . 1 1 120 120 LEU C C 120 173.367 173.367 174.760 -1.393 19425 12538 1 15 . 1 1 120 120 LEU CA C 120 56.217 56.217 52.904 3.313 19425 12539 1 15 . 1 1 120 120 LEU CB C 120 39.519 39.519 43.970 -4.451 19425 12540 1 15 . 1 1 120 120 LEU H H 120 8.746 8.746 8.279 0.467 19425 12541 1 15 . 1 1 121 121 LEU N N 121 118.900 118.900 127.063 -8.163 19425 12542 1 15 . 1 1 121 121 LEU C C 121 171.400 171.400 175.751 -4.351 19425 12543 1 15 . 1 1 121 121 LEU CA C 121 52.852 52.852 53.714 -0.862 19425 12544 1 15 . 1 1 121 121 LEU CB C 121 43.452 43.452 42.752 0.700 19425 12545 1 15 . 1 1 121 121 LEU H H 121 8.590 8.590 8.672 -0.082 19425 12546 1 15 . 1 1 122 122 ARG N N 122 123.588 123.588 125.004 -1.416 19425 12547 1 15 . 1 1 122 122 ARG C C 122 176.465 176.465 175.425 1.040 19425 12548 1 15 . 1 1 122 122 ARG CA C 122 54.403 54.403 53.964 0.439 19425 12549 1 15 . 1 1 122 122 ARG CB C 122 32.897 32.897 31.691 1.206 19425 12550 1 15 . 1 1 122 122 ARG H H 122 9.077 9.077 8.835 0.242 19425 12551 1 15 . 1 1 123 123 HIS N N 123 131.440 131.440 127.409 4.031 19425 12552 1 15 . 1 1 123 123 HIS C C 123 175.704 175.704 175.388 0.316 19425 12553 1 15 . 1 1 123 123 HIS CA C 123 56.637 56.637 56.747 -0.110 19425 12554 1 15 . 1 1 123 123 HIS CB C 123 31.261 31.261 30.103 1.158 19425 12555 1 15 . 1 1 123 123 HIS H H 123 9.622 9.622 8.447 1.175 19425 12556 1 15 . 1 1 124 124 SER N N 124 127.024 127.024 124.428 2.596 19425 12557 1 15 . 1 1 124 124 SER C C 124 175.686 175.686 175.761 -0.075 19425 12558 1 15 . 1 1 124 124 SER CA C 124 62.010 62.010 61.032 0.978 19425 12559 1 15 . 1 1 124 124 SER CB C 124 62.912 62.912 62.808 0.104 19425 12560 1 15 . 1 1 124 124 SER H H 124 7.840 7.840 7.797 0.043 19425 12561 1 15 . 1 1 125 125 TYR N N 125 119.708 119.708 120.793 -1.085 19425 12562 1 15 . 1 1 125 125 TYR C C 125 180.696 180.696 176.874 3.822 19425 12563 1 15 . 1 1 125 125 TYR CA C 125 60.903 60.903 60.538 0.366 19425 12564 1 15 . 1 1 125 125 TYR CB C 125 38.744 38.744 38.526 0.218 19425 12565 1 15 . 1 1 125 125 TYR H H 125 8.746 8.746 7.465 1.281 19425 12566 1 15 . 1 1 126 126 SER N N 126 110.333 110.333 113.767 -3.434 19425 12567 1 15 . 1 1 126 126 SER C C 126 176.543 176.543 176.110 0.433 19425 12568 1 15 . 1 1 126 126 SER CA C 126 59.366 59.366 58.818 0.548 19425 12569 1 15 . 1 1 126 126 SER CB C 126 65.282 65.282 64.613 0.669 19425 12570 1 15 . 1 1 126 126 SER H H 126 7.004 7.004 8.080 -1.076 19425 12571 1 15 . 1 1 127 127 GLY N N 127 113.322 113.322 111.074 2.248 19425 12572 1 15 . 1 1 127 127 GLY C C 127 176.428 176.428 174.260 2.168 19425 12573 1 15 . 1 1 127 127 GLY CA C 127 46.064 46.064 45.525 0.539 19425 12574 1 15 . 1 1 127 127 GLY H H 127 8.181 8.181 8.446 -0.265 19425 12575 1 15 . 1 1 128 128 MET N N 128 118.598 118.598 119.209 -0.611 19425 12576 1 15 . 1 1 128 128 MET C C 128 173.200 173.200 175.110 -1.910 19425 12577 1 15 . 1 1 128 128 MET CA C 128 55.429 55.429 56.433 -1.004 19425 12578 1 15 . 1 1 128 128 MET CB C 128 35.988 35.988 34.160 1.828 19425 12579 1 15 . 1 1 128 128 MET H H 128 7.551 7.551 7.406 0.145 19425 12580 1 15 . 1 1 129 129 TYR N N 129 116.715 116.715 114.545 2.170 19425 12581 1 15 . 1 1 129 129 TYR C C 129 172.884 172.884 175.820 -2.936 19425 12582 1 15 . 1 1 129 129 TYR CA C 129 58.658 58.658 57.153 1.505 19425 12583 1 15 . 1 1 129 129 TYR CB C 129 40.914 40.914 41.217 -0.303 19425 12584 1 15 . 1 1 129 129 TYR H H 129 8.923 8.923 8.371 0.552 19425 12585 1 15 . 1 1 130 130 LEU N N 130 123.061 123.061 124.976 -1.915 19425 12586 1 15 . 1 1 130 130 LEU C C 130 176.677 176.677 176.480 0.197 19425 12587 1 15 . 1 1 130 130 LEU CA C 130 56.311 56.311 56.280 0.031 19425 12588 1 15 . 1 1 130 130 LEU CB C 130 42.909 42.909 42.289 0.620 19425 12589 1 15 . 1 1 130 130 LEU H H 130 8.236 8.236 9.034 -0.797 19425 12590 1 15 . 1 1 131 131 CYS N N 131 126.618 126.618 127.602 -0.984 19425 12591 1 15 . 1 1 131 131 CYS C C 131 177.616 177.616 172.978 4.638 19425 12592 1 15 . 1 1 131 131 CYS CA C 131 57.028 57.028 57.446 -0.418 19425 12593 1 15 . 1 1 131 131 CYS CB C 131 32.339 32.339 31.497 0.842 19425 12594 1 15 . 1 1 131 131 CYS H H 131 9.516 9.516 9.463 0.053 19425 12595 1 15 . 1 1 132 132 CYS N N 132 124.860 124.860 127.341 -2.481 19425 12596 1 15 . 1 1 132 132 CYS C C 132 172.309 172.309 174.383 -2.074 19425 12597 1 15 . 1 1 132 132 CYS CA C 132 59.436 59.436 57.677 1.759 19425 12598 1 15 . 1 1 132 132 CYS CB C 132 27.383 27.383 26.272 1.111 19425 12599 1 15 . 1 1 132 132 CYS H H 132 8.142 8.142 8.182 -0.040 19425 12600 1 15 . 1 1 133 133 LEU N N 133 131.382 131.382 128.582 2.800 19425 12601 1 15 . 1 1 133 133 LEU C C 133 174.035 174.035 177.511 -3.476 19425 12602 1 15 . 1 1 133 133 LEU CA C 133 54.799 54.799 54.459 0.340 19425 12603 1 15 . 1 1 133 133 LEU CB C 133 41.109 41.109 42.509 -1.400 19425 12604 1 15 . 1 1 133 133 LEU H H 133 9.008 9.008 8.164 0.844 19425 12605 1 15 . 1 1 134 134 SER N N 134 112.103 112.103 113.884 -1.781 19425 12606 1 15 . 1 1 134 134 SER C C 134 175.519 175.519 174.276 1.243 19425 12607 1 15 . 1 1 134 134 SER CA C 134 58.320 58.320 58.030 0.290 19425 12608 1 15 . 1 1 134 134 SER CB C 134 63.979 63.979 62.761 1.218 19425 12609 1 15 . 1 1 134 134 SER H H 134 8.229 8.229 8.481 -0.252 19425 12610 1 15 . 1 1 135 135 THR N N 135 111.693 111.693 112.354 -0.661 19425 12611 1 15 . 1 1 135 135 THR C C 135 174.535 174.535 175.055 -0.520 19425 12612 1 15 . 1 1 135 135 THR CA C 135 60.703 60.703 60.798 -0.095 19425 12613 1 15 . 1 1 135 135 THR CB C 135 70.624 70.624 70.427 0.197 19425 12614 1 15 . 1 1 135 135 THR H H 135 7.292 7.292 7.530 -0.238 19425 12615 1 15 . 1 1 136 136 SER N N 136 117.260 117.260 122.680 -5.420 19425 12616 1 15 . 1 1 136 136 SER C C 136 173.478 173.478 175.035 -1.557 19425 12617 1 15 . 1 1 136 136 SER CA C 136 57.537 57.537 61.839 -4.302 19425 12618 1 15 . 1 1 136 136 SER CB C 136 64.593 64.593 63.504 1.089 19425 12619 1 15 . 1 1 136 136 SER H H 136 8.544 8.544 9.146 -0.602 19425 12620 1 15 . 1 1 137 137 ARG N N 137 124.804 124.804 114.969 9.835 19425 12621 1 15 . 1 1 137 137 ARG C C 137 175.000 175.000 176.387 -1.387 19425 12622 1 15 . 1 1 137 137 ARG CA C 137 56.922 56.922 56.510 0.412 19425 12623 1 15 . 1 1 137 137 ARG CB C 137 30.733 30.733 32.269 -1.536 19425 12624 1 15 . 1 1 137 137 ARG H H 137 9.231 9.231 7.676 1.555 19425 12625 1 15 . 1 1 138 138 SER N N 138 126.225 126.225 112.302 13.923 19425 12626 1 15 . 1 1 138 138 SER C C 138 175.871 175.871 174.776 1.095 19425 12627 1 15 . 1 1 138 138 SER CA C 138 61.891 61.891 59.406 2.485 19425 12628 1 15 . 1 1 138 138 SER CB C 138 62.730 62.730 63.696 -0.966 19425 12629 1 15 . 1 1 138 138 SER H H 138 7.891 7.891 8.371 -0.480 19425 12630 1 15 . 1 1 140 140 THR N N 140 114.799 114.799 117.929 -3.130 19425 12631 1 15 . 1 1 140 140 THR C C 140 173.756 173.756 172.539 1.217 19425 12632 1 15 . 1 1 140 140 THR CA C 140 62.895 62.895 61.664 1.231 19425 12633 1 15 . 1 1 140 140 THR CB C 140 69.332 69.332 69.777 -0.445 19425 12634 1 15 . 1 1 140 140 THR H H 140 8.168 8.168 7.595 0.573 19425 12635 1 15 . 1 1 141 141 ASP N N 141 121.772 121.772 124.130 -2.358 19425 12636 1 15 . 1 1 141 141 ASP C C 141 174.795 174.795 175.311 -0.516 19425 12637 1 15 . 1 1 141 141 ASP CA C 141 54.001 54.001 53.654 0.347 19425 12638 1 15 . 1 1 141 141 ASP CB C 141 40.914 40.914 42.145 -1.231 19425 12639 1 15 . 1 1 141 141 ASP H H 141 8.049 8.049 8.703 -0.654 19425 12640 1 15 . 1 1 142 142 LYS N N 142 121.585 121.585 123.175 -1.590 19425 12641 1 15 . 1 1 142 142 LYS C C 142 176.274 176.274 176.898 -0.624 19425 12642 1 15 . 1 1 142 142 LYS CA C 142 57.106 57.106 54.820 2.286 19425 12643 1 15 . 1 1 142 142 LYS CB C 142 31.369 31.369 33.896 -2.527 19425 12644 1 15 . 1 1 142 142 LYS H H 142 8.376 8.376 8.134 0.242 19425 12645 1 15 . 1 1 143 143 LEU N N 143 119.604 119.604 120.838 -1.234 19425 12646 1 15 . 1 1 143 143 LEU C C 143 176.798 176.798 177.358 -0.560 19425 12647 1 15 . 1 1 143 143 LEU CA C 143 55.261 55.261 56.678 -1.417 19425 12648 1 15 . 1 1 143 143 LEU CB C 143 41.487 41.487 40.788 0.700 19425 12649 1 15 . 1 1 143 143 LEU H H 143 8.262 8.262 8.206 0.056 19425 12650 1 15 . 1 1 144 144 ALA N N 144 123.881 123.881 118.667 5.214 19425 12651 1 15 . 1 1 144 144 ALA C C 144 176.410 176.410 177.246 -0.836 19425 12652 1 15 . 1 1 144 144 ALA CA C 144 51.335 51.335 52.640 -1.305 19425 12653 1 15 . 1 1 144 144 ALA CB C 144 20.924 20.924 19.388 1.536 19425 12654 1 15 . 1 1 144 144 ALA H H 144 7.614 7.614 7.758 -0.144 19425 12655 1 15 . 1 1 145 145 PHE N N 145 120.083 120.083 119.136 0.947 19425 12656 1 15 . 1 1 145 145 PHE C C 145 176.948 176.948 175.577 1.371 19425 12657 1 15 . 1 1 145 145 PHE CA C 145 55.872 55.872 56.919 -1.047 19425 12658 1 15 . 1 1 145 145 PHE CB C 145 42.468 42.468 41.202 1.266 19425 12659 1 15 . 1 1 145 145 PHE H H 145 8.647 8.647 8.502 0.145 19425 12660 1 15 . 1 1 146 146 ASP N N 146 119.893 119.893 119.924 -0.031 19425 12661 1 15 . 1 1 146 146 ASP C C 146 175.519 175.519 174.655 0.864 19425 12662 1 15 . 1 1 146 146 ASP CA C 146 54.679 54.679 54.403 0.276 19425 12663 1 15 . 1 1 146 146 ASP CB C 146 42.169 42.169 43.220 -1.051 19425 12664 1 15 . 1 1 146 146 ASP H H 146 8.692 8.692 8.885 -0.193 19425 12665 1 15 . 1 1 147 147 VAL N N 147 118.800 118.800 122.158 -3.358 19425 12666 1 15 . 1 1 147 147 VAL C C 147 174.053 174.053 175.568 -1.515 19425 12667 1 15 . 1 1 147 147 VAL CA C 147 60.671 60.671 61.383 -0.712 19425 12668 1 15 . 1 1 147 147 VAL CB C 147 35.326 35.326 32.895 2.431 19425 12669 1 15 . 1 1 147 147 VAL H H 147 8.224 8.224 8.510 -0.286 19425 12670 1 15 . 1 1 148 148 GLY N N 148 113.226 113.226 114.747 -1.521 19425 12671 1 15 . 1 1 148 148 GLY C C 148 175.141 175.141 172.299 2.842 19425 12672 1 15 . 1 1 148 148 GLY CA C 148 45.384 45.384 43.748 1.636 19425 12673 1 15 . 1 1 148 148 GLY H H 148 8.594 8.594 8.817 -0.223 19425 12674 1 15 . 1 1 149 149 LEU N N 149 120.880 120.880 119.422 1.458 19425 12675 1 15 . 1 1 149 149 LEU C C 149 170.973 170.973 176.004 -5.031 19425 12676 1 15 . 1 1 149 149 LEU CA C 149 53.299 53.299 53.670 -0.371 19425 12677 1 15 . 1 1 149 149 LEU CB C 149 43.938 43.938 45.606 -1.668 19425 12678 1 15 . 1 1 149 149 LEU H H 149 8.303 8.303 8.084 0.219 19425 12679 1 15 . 1 1 150 150 GLN N N 150 118.978 118.978 120.060 -1.082 19425 12680 1 15 . 1 1 150 150 GLN C C 150 177.133 177.133 175.991 1.142 19425 12681 1 15 . 1 1 150 150 GLN CA C 150 54.723 54.723 55.102 -0.380 19425 12682 1 15 . 1 1 150 150 GLN CB C 150 32.690 32.690 32.438 0.252 19425 12683 1 15 . 1 1 150 150 GLN H H 150 9.115 9.115 8.698 0.417 19425 12684 1 15 . 1 1 151 151 GLU N N 151 121.344 121.344 124.568 -3.224 19425 12685 1 15 . 1 1 151 151 GLU C C 151 175.333 175.333 176.081 -0.748 19425 12686 1 15 . 1 1 151 151 GLU CA C 151 59.140 59.140 58.625 0.515 19425 12687 1 15 . 1 1 151 151 GLU CB C 151 30.735 30.735 29.910 0.825 19425 12688 1 15 . 1 1 151 151 GLU H H 151 9.142 9.142 8.842 0.300 19425 12689 1 15 . 1 1 152 152 ASP N N 152 117.494 117.494 118.476 -0.982 19425 12690 1 15 . 1 1 152 152 ASP C C 152 176.391 176.391 176.206 0.185 19425 12691 1 15 . 1 1 152 152 ASP CA C 152 54.139 54.139 54.176 -0.037 19425 12692 1 15 . 1 1 152 152 ASP CB C 152 41.920 41.920 41.704 0.216 19425 12693 1 15 . 1 1 152 152 ASP H H 152 8.023 8.023 8.027 -0.004 19425 12694 1 15 . 1 1 153 153 THR N N 153 111.969 111.969 108.166 3.803 19425 12695 1 15 . 1 1 153 153 THR C C 153 175.964 175.964 174.819 1.145 19425 12696 1 15 . 1 1 153 153 THR CA C 153 61.894 61.894 62.026 -0.132 19425 12697 1 15 . 1 1 153 153 THR CB C 153 68.903 68.903 69.479 -0.576 19425 12698 1 15 . 1 1 153 153 THR H H 153 7.985 7.985 8.049 -0.064 19425 12699 1 15 . 1 1 154 154 THR N N 154 113.978 113.978 113.952 0.026 19425 12700 1 15 . 1 1 154 154 THR C C 154 175.000 175.000 175.184 -0.184 19425 12701 1 15 . 1 1 154 154 THR CA C 154 62.359 62.359 63.478 -1.119 19425 12702 1 15 . 1 1 154 154 THR CB C 154 69.210 69.210 68.738 0.472 19425 12703 1 15 . 1 1 154 154 THR H H 154 7.790 7.790 7.629 0.161 19425 12704 1 15 . 1 1 155 155 GLY N N 155 108.411 108.411 113.824 -5.413 19425 12705 1 15 . 1 1 155 155 GLY C C 155 174.702 174.702 172.594 2.108 19425 12706 1 15 . 1 1 155 155 GLY CA C 155 44.737 44.737 44.755 -0.018 19425 12707 1 15 . 1 1 155 155 GLY H H 155 7.639 7.639 8.054 -0.415 19425 12708 1 15 . 1 1 156 156 GLU N N 156 118.666 118.666 120.514 -1.848 19425 12709 1 15 . 1 1 156 156 GLU C C 156 173.571 173.571 177.898 -4.327 19425 12710 1 15 . 1 1 156 156 GLU CA C 156 59.352 59.352 57.129 2.223 19425 12711 1 15 . 1 1 156 156 GLU CB C 156 31.248 31.248 30.360 0.888 19425 12712 1 15 . 1 1 156 156 GLU H H 156 8.606 8.606 8.709 -0.103 19425 12713 1 15 . 1 1 157 157 ALA N N 157 118.664 118.664 123.631 -4.967 19425 12714 1 15 . 1 1 157 157 ALA C C 157 177.727 177.727 178.453 -0.726 19425 12715 1 15 . 1 1 157 157 ALA CA C 157 55.063 55.063 54.853 0.210 19425 12716 1 15 . 1 1 157 157 ALA CB C 157 18.856 18.856 18.099 0.757 19425 12717 1 15 . 1 1 157 157 ALA H H 157 8.159 8.159 8.559 -0.400 19425 12718 1 15 . 1 1 158 158 CYS N N 158 114.681 114.681 115.157 -0.476 19425 12719 1 15 . 1 1 158 158 CYS C C 158 179.972 179.972 173.423 6.549 19425 12720 1 15 . 1 1 158 158 CYS CA C 158 57.585 57.585 58.042 -0.457 19425 12721 1 15 . 1 1 158 158 CYS CB C 158 27.977 27.977 26.082 1.895 19425 12722 1 15 . 1 1 158 158 CYS H H 158 7.973 7.973 8.326 -0.353 19425 12723 1 15 . 1 1 165 165 ALA N N 165 122.416 122.416 127.859 -5.443 19425 12724 1 15 . 1 1 165 165 ALA C C 165 176.743 176.743 177.907 -1.164 19425 12725 1 15 . 1 1 165 165 ALA CA C 165 52.390 52.390 53.674 -1.284 19425 12726 1 15 . 1 1 165 165 ALA CB C 165 20.486 20.486 19.285 1.202 19425 12727 1 15 . 1 1 165 165 ALA H H 165 8.190 8.190 8.590 -0.400 19425 12728 1 15 . 1 1 166 166 SER N N 166 111.681 111.681 113.089 -1.408 19425 12729 1 15 . 1 1 166 166 SER C C 166 176.876 176.876 174.094 2.782 19425 12730 1 15 . 1 1 166 166 SER CA C 166 56.863 56.863 57.199 -0.336 19425 12731 1 15 . 1 1 166 166 SER CB C 166 65.738 65.738 64.482 1.256 19425 12732 1 15 . 1 1 166 166 SER H H 166 7.690 7.690 7.683 0.007 19425 12733 1 15 . 1 1 167 167 LYS N N 167 121.655 121.655 119.756 1.899 19425 12734 1 15 . 1 1 167 167 LYS C C 167 175.241 175.241 177.369 -2.128 19425 12735 1 15 . 1 1 167 167 LYS CA C 167 55.297 55.297 57.251 -1.954 19425 12736 1 15 . 1 1 167 167 LYS CB C 167 31.364 31.364 32.534 -1.170 19425 12737 1 15 . 1 1 167 167 LYS H H 167 8.230 8.230 8.395 -0.165 19425 12738 1 15 . 1 1 168 168 GLN N N 168 117.832 117.832 118.249 -0.417 19425 12739 1 15 . 1 1 168 168 GLN C C 168 176.836 176.836 176.123 0.713 19425 12740 1 15 . 1 1 168 168 GLN CA C 168 57.366 57.366 57.123 0.243 19425 12741 1 15 . 1 1 168 168 GLN CB C 168 28.979 28.979 28.508 0.471 19425 12742 1 15 . 1 1 168 168 GLN H H 168 8.134 8.134 8.110 0.024 19425 12743 1 15 . 1 1 169 169 ARG N N 169 117.052 117.052 119.431 -2.379 19425 12744 1 15 . 1 1 169 169 ARG C C 169 175.946 175.946 175.505 0.441 19425 12745 1 15 . 1 1 169 169 ARG CA C 169 52.885 52.885 54.821 -1.936 19425 12746 1 15 . 1 1 169 169 ARG CB C 169 32.795 32.795 30.329 2.466 19425 12747 1 15 . 1 1 169 169 ARG H H 169 7.209 7.209 7.858 -0.649 19425 12748 1 15 . 1 1 170 170 SER N N 170 114.335 114.335 113.962 0.373 19425 12749 1 15 . 1 1 170 170 SER C C 170 174.387 174.387 173.607 0.780 19425 12750 1 15 . 1 1 170 170 SER CA C 170 56.976 56.976 56.358 0.618 19425 12751 1 15 . 1 1 170 170 SER CB C 170 66.348 66.348 65.608 0.740 19425 12752 1 15 . 1 1 170 170 SER H H 170 8.279 8.279 8.396 -0.117 19425 12753 1 15 . 1 1 171 171 GLU N N 171 121.428 121.428 122.782 -1.354 19425 12754 1 15 . 1 1 171 171 GLU C C 171 173.293 173.293 177.046 -3.753 19425 12755 1 15 . 1 1 171 171 GLU CA C 171 58.658 58.658 57.268 1.390 19425 12756 1 15 . 1 1 171 171 GLU CB C 171 28.693 28.693 28.741 -0.048 19425 12757 1 15 . 1 1 171 171 GLU H H 171 8.540 8.540 8.615 -0.075 19425 12758 1 15 . 1 1 172 172 GLY N N 172 113.162 113.162 114.532 -1.370 19425 12759 1 15 . 1 1 172 172 GLY C C 172 177.504 177.504 174.376 3.128 19425 12760 1 15 . 1 1 172 172 GLY CA C 172 45.452 45.452 45.008 0.444 19425 12761 1 15 . 1 1 172 172 GLY H H 172 8.676 8.676 9.075 -0.399 19425 12762 1 15 . 1 1 173 173 GLU N N 173 119.545 119.545 121.166 -1.621 19425 12763 1 15 . 1 1 173 173 GLU C C 173 173.311 173.311 176.099 -2.788 19425 12764 1 15 . 1 1 173 173 GLU CA C 173 55.689 55.689 56.200 -0.511 19425 12765 1 15 . 1 1 173 173 GLU CB C 173 31.204 31.204 30.944 0.260 19425 12766 1 15 . 1 1 173 173 GLU H H 173 7.805 7.805 7.782 0.023 19425 12767 1 15 . 1 1 174 174 LYS N N 174 120.834 120.834 121.056 -0.222 19425 12768 1 15 . 1 1 174 174 LYS C C 174 175.352 175.352 176.669 -1.317 19425 12769 1 15 . 1 1 174 174 LYS CA C 174 57.207 57.207 57.028 0.179 19425 12770 1 15 . 1 1 174 174 LYS CB C 174 34.185 34.185 32.785 1.400 19425 12771 1 15 . 1 1 174 174 LYS H H 174 8.215 8.215 8.461 -0.246 19425 12772 1 15 . 1 1 175 175 VAL N N 175 122.529 122.529 123.958 -1.429 19425 12773 1 15 . 1 1 175 175 VAL C C 175 176.595 176.595 175.327 1.268 19425 12774 1 15 . 1 1 175 175 VAL CA C 175 63.046 63.046 61.734 1.312 19425 12775 1 15 . 1 1 175 175 VAL CB C 175 31.265 31.265 31.589 -0.324 19425 12776 1 15 . 1 1 175 175 VAL H H 175 7.914 7.914 8.537 -0.623 19425 12777 1 15 . 1 1 176 176 ARG N N 176 127.622 127.622 127.635 -0.013 19425 12778 1 15 . 1 1 176 176 ARG C C 176 175.742 175.742 177.008 -1.266 19425 12779 1 15 . 1 1 176 176 ARG CA C 176 55.767 55.767 55.272 0.495 19425 12780 1 15 . 1 1 176 176 ARG CB C 176 30.480 30.480 31.166 -0.686 19425 12781 1 15 . 1 1 176 176 ARG H H 176 7.570 7.570 8.222 -0.652 19425 12782 1 15 . 1 1 177 177 VAL N N 177 122.521 122.521 122.396 0.125 19425 12783 1 15 . 1 1 177 177 VAL C C 177 177.523 177.523 177.334 0.189 19425 12784 1 15 . 1 1 177 177 VAL CA C 177 65.322 65.322 64.299 1.024 19425 12785 1 15 . 1 1 177 177 VAL CB C 177 31.431 31.431 31.226 0.205 19425 12786 1 15 . 1 1 177 177 VAL H H 177 8.276 8.276 7.939 0.337 19425 12787 1 15 . 1 1 179 179 ASP N N 179 122.577 122.577 124.116 -1.539 19425 12788 1 15 . 1 1 179 179 ASP C C 179 174.554 174.554 175.670 -1.116 19425 12789 1 15 . 1 1 179 179 ASP CA C 179 54.687 54.687 55.536 -0.849 19425 12790 1 15 . 1 1 179 179 ASP CB C 179 40.417 40.417 41.427 -1.010 19425 12791 1 15 . 1 1 179 179 ASP H H 179 7.848 7.848 7.896 -0.048 19425 12792 1 15 . 1 1 180 180 ASP N N 180 121.916 121.916 124.068 -2.152 19425 12793 1 15 . 1 1 180 180 ASP C C 180 174.610 174.610 175.940 -1.330 19425 12794 1 15 . 1 1 180 180 ASP CA C 180 54.379 54.379 55.372 -0.993 19425 12795 1 15 . 1 1 180 180 ASP CB C 180 42.178 42.178 40.944 1.234 19425 12796 1 15 . 1 1 180 180 ASP H H 180 8.521 8.521 8.521 -0.000 19425 12797 1 15 . 1 1 181 181 LEU N N 181 121.499 121.499 123.307 -1.808 19425 12798 1 15 . 1 1 181 181 LEU C C 181 175.166 175.166 176.767 -1.601 19425 12799 1 15 . 1 1 181 181 LEU CA C 181 54.379 54.379 53.710 0.669 19425 12800 1 15 . 1 1 181 181 LEU CB C 181 45.395 45.395 44.426 0.969 19425 12801 1 15 . 1 1 181 181 LEU H H 181 9.782 9.782 8.848 0.934 19425 12802 1 15 . 1 1 185 185 SER N N 185 122.939 122.939 123.014 -0.075 19425 12803 1 15 . 1 1 185 185 SER C C 185 175.871 175.871 175.430 0.441 19425 12804 1 15 . 1 1 185 185 SER CA C 185 57.514 57.514 59.874 -2.360 19425 12805 1 15 . 1 1 185 185 SER CB C 185 62.772 62.772 63.086 -0.314 19425 12806 1 15 . 1 1 185 185 SER H H 185 9.183 9.183 8.940 0.243 19425 12807 1 15 . 1 1 186 186 VAL N N 186 131.799 131.799 127.165 4.634 19425 12808 1 15 . 1 1 186 186 VAL C C 186 177.226 177.226 177.029 0.197 19425 12809 1 15 . 1 1 186 186 VAL CA C 186 65.883 65.883 65.722 0.161 19425 12810 1 15 . 1 1 186 186 VAL CB C 186 31.190 31.190 31.827 -0.637 19425 12811 1 15 . 1 1 186 186 VAL H H 186 8.285 8.285 8.294 -0.009 19425 12812 1 15 . 1 1 187 187 SER N N 187 110.228 110.228 115.414 -5.186 19425 12813 1 15 . 1 1 187 187 SER C C 187 177.077 177.077 175.290 1.787 19425 12814 1 15 . 1 1 187 187 SER CA C 187 60.200 60.200 60.787 -0.587 19425 12815 1 15 . 1 1 187 187 SER CB C 187 62.264 62.264 63.308 -1.044 19425 12816 1 15 . 1 1 187 187 SER H H 187 7.000 7.000 7.977 -0.977 19425 12817 1 15 . 1 1 188 188 SER N N 188 115.022 115.022 115.605 -0.583 19425 12818 1 15 . 1 1 188 188 SER C C 188 176.632 176.632 172.991 3.641 19425 12819 1 15 . 1 1 188 188 SER CA C 188 58.889 58.889 58.377 0.512 19425 12820 1 15 . 1 1 188 188 SER CB C 188 66.818 66.818 64.326 2.492 19425 12821 1 15 . 1 1 188 188 SER H H 188 7.886 7.886 7.753 0.133 19425 12822 1 15 . 1 1 189 189 GLU N N 189 118.477 118.477 119.169 -0.692 19425 12823 1 15 . 1 1 189 189 GLU C C 189 175.000 175.000 174.392 0.608 19425 12824 1 15 . 1 1 189 189 GLU CA C 189 58.562 58.562 57.730 0.833 19425 12825 1 15 . 1 1 189 189 GLU CB C 189 27.420 27.420 27.971 -0.551 19425 12826 1 15 . 1 1 189 189 GLU H H 189 7.929 7.929 8.147 -0.218 19425 12827 1 15 . 1 1 190 190 ARG N N 190 116.828 116.828 116.988 -0.160 19425 12828 1 15 . 1 1 190 190 ARG C C 190 173.868 173.868 175.980 -2.112 19425 12829 1 15 . 1 1 190 190 ARG CA C 190 54.238 54.238 54.595 -0.357 19425 12830 1 15 . 1 1 190 190 ARG CB C 190 32.141 32.141 32.709 -0.568 19425 12831 1 15 . 1 1 190 190 ARG H H 190 6.723 6.723 7.271 -0.548 19425 12832 1 15 . 1 1 191 191 TYR N N 191 118.733 118.733 121.246 -2.513 19425 12833 1 15 . 1 1 191 191 TYR C C 191 174.368 174.368 177.387 -3.019 19425 12834 1 15 . 1 1 191 191 TYR CA C 191 57.405 57.405 58.669 -1.264 19425 12835 1 15 . 1 1 191 191 TYR CB C 191 39.444 39.444 39.423 0.021 19425 12836 1 15 . 1 1 191 191 TYR H H 191 8.912 8.912 8.964 -0.052 19425 12837 1 15 . 1 1 192 192 LEU N N 192 123.460 123.460 124.730 -1.270 19425 12838 1 15 . 1 1 192 192 LEU C C 192 176.753 176.753 176.095 0.658 19425 12839 1 15 . 1 1 192 192 LEU CA C 192 57.061 57.061 54.150 2.912 19425 12840 1 15 . 1 1 192 192 LEU CB C 192 41.351 41.351 40.573 0.778 19425 12841 1 15 . 1 1 192 192 LEU H H 192 8.836 8.836 8.901 -0.065 19425 12842 1 15 . 1 1 193 193 HIS N N 193 134.195 134.195 124.964 9.231 19425 12843 1 15 . 1 1 193 193 HIS C C 193 178.766 178.766 174.451 4.315 19425 12844 1 15 . 1 1 193 193 HIS CA C 193 56.349 56.349 56.219 0.130 19425 12845 1 15 . 1 1 193 193 HIS CB C 193 31.613 31.613 31.707 -0.094 19425 12846 1 15 . 1 1 193 193 HIS H H 193 10.227 10.227 8.925 1.302 19425 12847 1 15 . 1 1 194 194 LEU N N 194 128.500 128.500 127.522 0.978 19425 12848 1 15 . 1 1 194 194 LEU C C 194 170.268 170.268 175.082 -4.814 19425 12849 1 15 . 1 1 194 194 LEU CA C 194 54.139 54.139 53.928 0.211 19425 12850 1 15 . 1 1 194 194 LEU CB C 194 44.036 44.036 43.101 0.935 19425 12851 1 15 . 1 1 194 194 LEU H H 194 7.784 7.784 7.693 0.091 19425 12852 1 15 . 1 1 195 195 SER N N 195 122.195 122.195 121.863 0.332 19425 12853 1 15 . 1 1 195 195 SER C C 195 174.740 174.740 173.274 1.466 19425 12854 1 15 . 1 1 195 195 SER CA C 195 56.814 56.814 56.517 0.297 19425 12855 1 15 . 1 1 195 195 SER CB C 195 66.260 66.260 66.012 0.248 19425 12856 1 15 . 1 1 195 195 SER H H 195 9.042 9.042 8.945 0.097 19425 12857 1 15 . 1 1 196 196 TYR N N 196 124.809 124.809 128.893 -4.084 19425 12858 1 15 . 1 1 196 196 TYR C C 196 172.439 172.439 175.261 -2.822 19425 12859 1 15 . 1 1 196 196 TYR CA C 196 57.019 57.019 56.547 0.472 19425 12860 1 15 . 1 1 196 196 TYR CB C 196 39.817 39.817 38.821 0.996 19425 12861 1 15 . 1 1 196 196 TYR H H 196 8.657 8.657 8.835 -0.178 19425 12862 1 15 . 1 1 197 197 GLY N N 197 114.111 114.111 114.453 -0.342 19425 12863 1 15 . 1 1 197 197 GLY C C 197 176.113 176.113 174.295 1.818 19425 12864 1 15 . 1 1 197 197 GLY CA C 197 45.492 45.492 44.350 1.142 19425 12865 1 15 . 1 1 197 197 GLY H H 197 8.030 8.030 8.255 -0.225 19425 12866 1 15 . 1 1 200 200 SER N N 200 113.158 113.158 115.207 -2.049 19425 12867 1 15 . 1 1 200 200 SER C C 200 172.661 172.661 172.020 0.641 19425 12868 1 15 . 1 1 200 200 SER CA C 200 56.890 56.890 56.966 -0.076 19425 12869 1 15 . 1 1 200 200 SER CB C 200 65.522 65.522 64.785 0.737 19425 12870 1 15 . 1 1 200 200 SER H H 200 6.893 6.893 7.408 -0.515 19425 12871 1 15 . 1 1 201 201 TRP N N 201 122.521 122.521 120.312 2.209 19425 12872 1 15 . 1 1 201 201 TRP C C 201 171.813 171.813 175.752 -3.939 19425 12873 1 15 . 1 1 201 201 TRP CA C 201 56.990 56.990 56.062 0.928 19425 12874 1 15 . 1 1 201 201 TRP CB C 201 31.501 31.501 31.771 -0.270 19425 12875 1 15 . 1 1 201 201 TRP H H 201 8.243 8.243 8.218 0.025 19425 12876 1 15 . 1 1 202 202 HIS N N 202 121.171 121.171 118.636 2.535 19425 12877 1 15 . 1 1 202 202 HIS C C 202 173.805 173.805 173.252 0.553 19425 12878 1 15 . 1 1 202 202 HIS CA C 202 55.169 55.169 54.987 0.182 19425 12879 1 15 . 1 1 202 202 HIS CB C 202 32.254 32.254 34.186 -1.932 19425 12880 1 15 . 1 1 202 202 HIS H H 202 9.383 9.383 9.387 -0.004 19425 12881 1 15 . 1 1 203 203 VAL N N 203 119.943 119.943 121.537 -1.594 19425 12882 1 15 . 1 1 203 203 VAL C C 203 172.439 172.439 174.438 -1.999 19425 12883 1 15 . 1 1 203 203 VAL CA C 203 58.683 58.683 59.685 -1.002 19425 12884 1 15 . 1 1 203 203 VAL CB C 203 33.957 33.957 34.448 -0.491 19425 12885 1 15 . 1 1 203 203 VAL H H 203 8.649 8.649 8.847 -0.198 19425 12886 1 15 . 1 1 204 204 ASP N N 204 127.907 127.907 126.298 1.609 19425 12887 1 15 . 1 1 204 204 ASP C C 204 173.162 173.162 173.820 -0.658 19425 12888 1 15 . 1 1 204 204 ASP CA C 204 53.545 53.545 52.773 0.772 19425 12889 1 15 . 1 1 204 204 ASP CB C 204 42.169 42.169 44.238 -2.069 19425 12890 1 15 . 1 1 204 204 ASP H H 204 9.822 9.822 9.007 0.815 19425 12891 1 15 . 1 1 205 205 ALA N N 205 121.047 121.047 121.055 -0.008 19425 12892 1 15 . 1 1 205 205 ALA C C 205 172.754 172.754 176.371 -3.617 19425 12893 1 15 . 1 1 205 205 ALA CA C 205 50.147 50.147 50.567 -0.420 19425 12894 1 15 . 1 1 205 205 ALA CB C 205 19.642 19.642 19.331 0.311 19425 12895 1 15 . 1 1 205 205 ALA H H 205 9.176 9.176 8.303 0.873 19425 12896 1 15 . 1 1 206 206 ALA N N 206 127.318 127.318 125.496 1.822 19425 12897 1 15 . 1 1 206 206 ALA C C 206 176.465 176.465 176.177 0.288 19425 12898 1 15 . 1 1 206 206 ALA CA C 206 50.609 50.609 50.795 -0.186 19425 12899 1 15 . 1 1 206 206 ALA CB C 206 23.819 23.819 21.481 2.338 19425 12900 1 15 . 1 1 206 206 ALA H H 206 9.088 9.088 8.015 1.073 19425 12901 1 15 . 1 1 207 207 PHE N N 207 117.878 117.878 116.969 0.909 19425 12902 1 15 . 1 1 207 207 PHE C C 207 176.576 176.576 175.696 0.880 19425 12903 1 15 . 1 1 207 207 PHE CA C 207 59.714 59.714 58.793 0.921 19425 12904 1 15 . 1 1 207 207 PHE CB C 207 38.239 38.239 38.886 -0.647 19425 12905 1 15 . 1 1 207 207 PHE H H 207 8.953 8.953 8.483 0.470 19425 12906 1 15 . 1 1 208 208 GLN N N 208 117.531 117.531 117.238 0.293 19425 12907 1 15 . 1 1 208 208 GLN C C 208 175.166 175.166 175.294 -0.128 19425 12908 1 15 . 1 1 208 208 GLN CA C 208 55.096 55.096 54.112 0.984 19425 12909 1 15 . 1 1 208 208 GLN CB C 208 30.437 30.437 30.909 -0.472 19425 12910 1 15 . 1 1 208 208 GLN H H 208 6.613 6.613 7.738 -1.125 19425 12911 1 15 . 1 1 209 209 GLN N N 209 117.318 117.318 122.052 -4.734 19425 12912 1 15 . 1 1 209 209 GLN C C 209 173.162 173.162 175.582 -2.420 19425 12913 1 15 . 1 1 209 209 GLN CA C 209 56.217 56.217 56.765 -0.548 19425 12914 1 15 . 1 1 209 209 GLN CB C 209 29.912 29.912 29.443 0.469 19425 12915 1 15 . 1 1 209 209 GLN H H 209 8.108 8.108 8.316 -0.208 19425 12916 1 15 . 1 1 210 210 THR N N 210 116.616 116.616 114.199 2.417 19425 12917 1 15 . 1 1 210 210 THR C C 210 176.150 176.150 172.814 3.336 19425 12918 1 15 . 1 1 210 210 THR CA C 210 62.848 62.848 61.994 0.854 19425 12919 1 15 . 1 1 210 210 THR CB C 210 73.244 73.244 70.232 3.012 19425 12920 1 15 . 1 1 210 210 THR H H 210 6.641 6.641 8.271 -1.630 19425 12921 1 15 . 1 1 211 211 LEU N N 211 126.776 126.776 126.425 0.351 19425 12922 1 15 . 1 1 211 211 LEU C C 211 171.418 171.418 175.470 -4.052 19425 12923 1 15 . 1 1 211 211 LEU CA C 211 55.012 55.012 54.776 0.236 19425 12924 1 15 . 1 1 211 211 LEU CB C 211 41.627 41.627 42.311 -0.684 19425 12925 1 15 . 1 1 211 211 LEU H H 211 8.418 8.418 8.529 -0.111 19425 12926 1 15 . 1 1 212 212 TRP N N 212 124.678 124.678 124.134 0.544 19425 12927 1 15 . 1 1 212 212 TRP C C 212 175.742 175.742 176.395 -0.653 19425 12928 1 15 . 1 1 212 212 TRP CA C 212 56.052 56.052 55.315 0.737 19425 12929 1 15 . 1 1 212 212 TRP CB C 212 31.169 31.169 31.677 -0.508 19425 12930 1 15 . 1 1 212 212 TRP H H 212 9.462 9.462 9.023 0.439 19425 12931 1 15 . 1 1 213 213 SER N N 213 118.197 118.197 120.365 -2.168 19425 12932 1 15 . 1 1 213 213 SER C C 213 175.575 175.575 174.171 1.404 19425 12933 1 15 . 1 1 213 213 SER CA C 213 57.141 57.141 58.177 -1.036 19425 12934 1 15 . 1 1 213 213 SER CB C 213 64.800 64.800 63.428 1.372 19425 12935 1 15 . 1 1 213 213 SER H H 213 9.642 9.642 9.421 0.221 19425 12936 1 15 . 1 1 214 214 VAL N N 214 125.581 125.581 127.423 -1.842 19425 12937 1 15 . 1 1 214 214 VAL C C 214 174.183 174.183 175.012 -0.829 19425 12938 1 15 . 1 1 214 214 VAL CA C 214 61.398 61.398 61.838 -0.440 19425 12939 1 15 . 1 1 214 214 VAL CB C 214 32.502 32.502 30.826 1.676 19425 12940 1 15 . 1 1 214 214 VAL H H 214 8.433 8.433 8.121 0.312 19425 12941 1 15 . 1 1 215 215 ALA N N 215 130.074 130.074 131.890 -1.816 19425 12942 1 15 . 1 1 215 215 ALA C C 215 174.647 174.647 174.325 0.322 19425 12943 1 15 . 1 1 215 215 ALA CA C 215 49.058 49.058 48.630 0.428 19425 12944 1 15 . 1 1 215 215 ALA CB C 215 20.299 20.299 20.530 -0.231 19425 12945 1 15 . 1 1 215 215 ALA H H 215 8.572 8.572 8.381 0.191 19425 12946 1 16 . 1 1 13 13 PHE N N 13 122.001 122.001 120.095 1.906 19425 12947 1 16 . 1 1 13 13 PHE C C 13 174.608 174.608 175.924 -1.316 19425 12948 1 16 . 1 1 13 13 PHE CA C 13 56.445 56.445 56.090 0.355 19425 12949 1 16 . 1 1 13 13 PHE CB C 13 41.650 41.650 41.717 -0.067 19425 12950 1 16 . 1 1 13 13 PHE H H 13 8.209 8.209 8.258 -0.049 19425 12951 1 16 . 1 1 14 14 LEU N N 14 122.475 122.475 123.674 -1.199 19425 12952 1 16 . 1 1 14 14 LEU C C 14 175.630 175.630 176.064 -0.434 19425 12953 1 16 . 1 1 14 14 LEU CA C 14 55.024 55.024 55.171 -0.147 19425 12954 1 16 . 1 1 14 14 LEU CB C 14 43.987 43.987 42.140 1.847 19425 12955 1 16 . 1 1 14 14 LEU H H 14 8.264 8.264 9.035 -0.771 19425 12956 1 16 . 1 1 15 15 ARG N N 15 121.510 121.510 122.226 -0.716 19425 12957 1 16 . 1 1 15 15 ARG C C 15 175.630 175.630 177.251 -1.621 19425 12958 1 16 . 1 1 15 15 ARG CA C 15 54.007 54.007 52.589 1.418 19425 12959 1 16 . 1 1 15 15 ARG CB C 15 34.536 34.536 33.232 1.304 19425 12960 1 16 . 1 1 15 15 ARG H H 15 8.653 8.653 8.225 0.428 19425 12961 1 16 . 1 1 16 16 THR N N 16 110.840 110.840 113.326 -2.486 19425 12962 1 16 . 1 1 16 16 THR C C 16 175.946 175.946 175.432 0.514 19425 12963 1 16 . 1 1 16 16 THR CA C 16 62.950 62.950 62.641 0.309 19425 12964 1 16 . 1 1 16 16 THR CB C 16 69.276 69.276 69.610 -0.334 19425 12965 1 16 . 1 1 16 16 THR H H 16 8.815 8.815 8.632 0.183 19425 12966 1 16 . 1 1 17 17 ASP N N 17 114.036 114.036 119.090 -5.054 19425 12967 1 16 . 1 1 17 17 ASP C C 17 175.686 175.686 175.463 0.223 19425 12968 1 16 . 1 1 17 17 ASP CA C 17 57.735 57.735 56.079 1.656 19425 12969 1 16 . 1 1 17 17 ASP CB C 17 39.928 39.928 40.133 -0.205 19425 12970 1 16 . 1 1 17 17 ASP H H 17 9.241 9.241 8.776 0.465 19425 12971 1 16 . 1 1 18 18 ASP N N 18 122.062 122.062 120.850 1.212 19425 12972 1 16 . 1 1 18 18 ASP C C 18 175.946 175.946 176.290 -0.344 19425 12973 1 16 . 1 1 18 18 ASP CA C 18 56.214 56.214 54.995 1.219 19425 12974 1 16 . 1 1 18 18 ASP CB C 18 40.985 40.985 41.691 -0.706 19425 12975 1 16 . 1 1 18 18 ASP H H 18 8.035 8.035 7.609 0.426 19425 12976 1 16 . 1 1 19 19 GLU N N 19 122.006 122.006 122.644 -0.638 19425 12977 1 16 . 1 1 19 19 GLU C C 19 175.055 175.055 176.469 -1.414 19425 12978 1 16 . 1 1 19 19 GLU CA C 19 55.262 55.262 55.861 -0.599 19425 12979 1 16 . 1 1 19 19 GLU CB C 19 30.712 30.712 30.495 0.217 19425 12980 1 16 . 1 1 19 19 GLU H H 19 8.274 8.274 8.524 -0.250 19425 12981 1 16 . 1 1 20 20 VAL N N 20 118.214 118.214 120.418 -2.204 19425 12982 1 16 . 1 1 20 20 VAL C C 20 176.855 176.855 173.766 3.089 19425 12983 1 16 . 1 1 20 20 VAL CA C 20 59.054 59.054 58.925 0.129 19425 12984 1 16 . 1 1 20 20 VAL CB C 20 36.780 36.780 36.211 0.569 19425 12985 1 16 . 1 1 20 20 VAL H H 20 9.779 9.779 9.179 0.600 19425 12986 1 16 . 1 1 21 21 VAL N N 21 115.443 115.443 115.026 0.417 19425 12987 1 16 . 1 1 21 21 VAL C C 21 173.830 173.830 173.909 -0.079 19425 12988 1 16 . 1 1 21 21 VAL CA C 21 60.308 60.308 59.356 0.952 19425 12989 1 16 . 1 1 21 21 VAL CB C 21 34.625 34.625 35.512 -0.887 19425 12990 1 16 . 1 1 21 21 VAL H H 21 8.167 8.167 8.489 -0.322 19425 12991 1 16 . 1 1 22 22 LEU N N 22 128.072 128.072 127.024 1.048 19425 12992 1 16 . 1 1 22 22 LEU C C 22 174.858 174.858 175.909 -1.051 19425 12993 1 16 . 1 1 22 22 LEU CA C 22 55.656 55.656 54.106 1.550 19425 12994 1 16 . 1 1 22 22 LEU CB C 22 42.545 42.545 42.203 0.342 19425 12995 1 16 . 1 1 22 22 LEU H H 22 10.103 10.103 8.770 1.333 19425 12996 1 16 . 1 1 23 23 GLN N N 23 120.609 120.609 123.413 -2.804 19425 12997 1 16 . 1 1 23 23 GLN C C 23 175.500 175.500 175.287 0.213 19425 12998 1 16 . 1 1 23 23 GLN CA C 23 53.710 53.710 54.078 -0.367 19425 12999 1 16 . 1 1 23 23 GLN CB C 23 33.697 33.697 33.041 0.656 19425 13000 1 16 . 1 1 23 23 GLN H H 23 9.119 9.119 8.674 0.445 19425 13001 1 16 . 1 1 24 24 CYS N N 24 118.659 118.659 118.372 0.287 19425 13002 1 16 . 1 1 24 24 CYS C C 24 174.443 174.443 174.006 0.437 19425 13003 1 16 . 1 1 24 24 CYS CA C 24 55.261 55.261 55.681 -0.420 19425 13004 1 16 . 1 1 24 24 CYS CB C 24 30.302 30.302 30.694 -0.392 19425 13005 1 16 . 1 1 24 24 CYS H H 24 8.993 8.993 9.157 -0.164 19425 13006 1 16 . 1 1 25 25 THR N N 25 116.266 116.266 119.838 -3.572 19425 13007 1 16 . 1 1 25 25 THR C C 25 172.457 172.457 173.730 -1.273 19425 13008 1 16 . 1 1 25 25 THR CA C 25 61.858 61.858 62.830 -0.972 19425 13009 1 16 . 1 1 25 25 THR CB C 25 70.271 70.271 69.212 1.059 19425 13010 1 16 . 1 1 25 25 THR H H 25 8.480 8.480 8.599 -0.119 19425 13011 1 16 . 1 1 26 26 ALA N N 26 129.739 129.739 131.353 -1.614 19425 13012 1 16 . 1 1 26 26 ALA C C 26 172.717 172.717 175.268 -2.551 19425 13013 1 16 . 1 1 26 26 ALA CA C 26 50.642 50.642 49.999 0.643 19425 13014 1 16 . 1 1 26 26 ALA CB C 26 21.315 21.315 19.634 1.681 19425 13015 1 16 . 1 1 26 26 ALA H H 26 8.590 8.590 8.626 -0.036 19425 13016 1 16 . 1 1 27 27 THR N N 27 116.574 116.574 118.596 -2.022 19425 13017 1 16 . 1 1 27 27 THR C C 27 173.181 173.181 173.817 -0.636 19425 13018 1 16 . 1 1 27 27 THR CA C 27 61.919 61.919 61.350 0.569 19425 13019 1 16 . 1 1 27 27 THR CB C 27 69.696 69.696 70.647 -0.951 19425 13020 1 16 . 1 1 27 27 THR H H 27 8.110 8.110 8.228 -0.118 19425 13021 1 16 . 1 1 28 28 ILE N N 28 126.342 126.342 125.406 0.936 19425 13022 1 16 . 1 1 28 28 ILE C C 28 173.793 173.793 174.475 -0.682 19425 13023 1 16 . 1 1 28 28 ILE CA C 28 60.407 60.407 61.457 -1.050 19425 13024 1 16 . 1 1 28 28 ILE CB C 28 39.536 39.536 40.358 -0.822 19425 13025 1 16 . 1 1 28 28 ILE H H 28 8.483 8.483 8.797 -0.314 19425 13026 1 16 . 1 1 29 29 HIS N N 29 126.364 126.364 124.338 2.026 19425 13027 1 16 . 1 1 29 29 HIS C C 29 175.259 175.259 174.183 1.076 19425 13028 1 16 . 1 1 29 29 HIS CA C 29 57.174 57.174 57.007 0.167 19425 13029 1 16 . 1 1 29 29 HIS CB C 29 28.029 28.029 28.272 -0.243 19425 13030 1 16 . 1 1 29 29 HIS H H 29 9.110 9.110 8.439 0.671 19425 13031 1 16 . 1 1 31 31 GLU N N 31 120.962 120.962 119.118 1.844 19425 13032 1 16 . 1 1 31 31 GLU C C 31 175.575 175.575 174.304 1.271 19425 13033 1 16 . 1 1 31 31 GLU CA C 31 55.394 55.394 55.385 0.010 19425 13034 1 16 . 1 1 31 31 GLU CB C 31 31.576 31.576 32.539 -0.963 19425 13035 1 16 . 1 1 31 31 GLU H H 31 8.047 8.047 7.753 0.294 19425 13036 1 16 . 1 1 32 32 GLN N N 32 123.171 123.171 126.048 -2.877 19425 13037 1 16 . 1 1 32 32 GLN C C 32 175.185 175.185 174.636 0.549 19425 13038 1 16 . 1 1 32 32 GLN CA C 32 54.496 54.496 54.342 0.154 19425 13039 1 16 . 1 1 32 32 GLN CB C 32 30.054 30.054 31.922 -1.868 19425 13040 1 16 . 1 1 32 32 GLN H H 32 8.646 8.646 8.664 -0.018 19425 13041 1 16 . 1 1 33 33 GLN N N 33 123.530 123.530 120.212 3.318 19425 13042 1 16 . 1 1 33 33 GLN C C 33 175.667 175.667 173.273 2.394 19425 13043 1 16 . 1 1 33 33 GLN CA C 33 54.616 54.616 54.823 -0.207 19425 13044 1 16 . 1 1 33 33 GLN CB C 33 31.748 31.748 31.689 0.059 19425 13045 1 16 . 1 1 33 33 GLN H H 33 8.839 8.839 8.713 0.126 19425 13046 1 16 . 1 1 34 34 LYS N N 34 124.601 124.601 120.683 3.918 19425 13047 1 16 . 1 1 34 34 LYS C C 34 173.812 173.812 175.683 -1.871 19425 13048 1 16 . 1 1 34 34 LYS CA C 34 55.755 55.755 55.171 0.584 19425 13049 1 16 . 1 1 34 34 LYS CB C 34 32.712 32.712 35.209 -2.497 19425 13050 1 16 . 1 1 34 34 LYS H H 34 8.589 8.589 8.356 0.233 19425 13051 1 16 . 1 1 35 35 LEU N N 35 126.071 126.071 123.857 2.214 19425 13052 1 16 . 1 1 35 35 LEU C C 35 175.445 175.445 175.292 0.153 19425 13053 1 16 . 1 1 35 35 LEU CA C 35 53.347 53.347 53.206 0.141 19425 13054 1 16 . 1 1 35 35 LEU CB C 35 44.943 44.943 46.109 -1.166 19425 13055 1 16 . 1 1 35 35 LEU H H 35 8.794 8.794 8.549 0.245 19425 13056 1 16 . 1 1 36 36 CYS N N 36 118.373 118.373 121.764 -3.391 19425 13057 1 16 . 1 1 36 36 CYS C C 36 176.057 176.057 174.409 1.648 19425 13058 1 16 . 1 1 36 36 CYS CA C 36 57.174 57.174 56.590 0.584 19425 13059 1 16 . 1 1 36 36 CYS CB C 36 30.306 30.306 29.913 0.393 19425 13060 1 16 . 1 1 36 36 CYS H H 36 9.042 9.042 8.913 0.129 19425 13061 1 16 . 1 1 37 37 LEU N N 37 129.256 129.256 128.824 0.432 19425 13062 1 16 . 1 1 37 37 LEU C C 37 174.090 174.090 175.011 -0.921 19425 13063 1 16 . 1 1 37 37 LEU CA C 37 56.349 56.349 55.430 0.919 19425 13064 1 16 . 1 1 37 37 LEU CB C 37 42.689 42.689 42.280 0.409 19425 13065 1 16 . 1 1 37 37 LEU H H 37 8.811 8.811 8.828 -0.017 19425 13066 1 16 . 1 1 38 38 ALA N N 38 127.229 127.229 128.637 -1.408 19425 13067 1 16 . 1 1 38 38 ALA C C 38 174.517 174.517 175.157 -0.640 19425 13068 1 16 . 1 1 38 38 ALA CA C 38 50.609 50.609 49.410 1.199 19425 13069 1 16 . 1 1 38 38 ALA CB C 38 24.141 24.141 22.253 1.888 19425 13070 1 16 . 1 1 38 38 ALA H H 38 8.879 8.879 8.585 0.294 19425 13071 1 16 . 1 1 39 39 ALA N N 39 117.076 117.076 120.194 -3.118 19425 13072 1 16 . 1 1 39 39 ALA C C 39 174.665 174.665 174.720 -0.055 19425 13073 1 16 . 1 1 39 39 ALA CA C 39 51.500 51.500 51.691 -0.192 19425 13074 1 16 . 1 1 39 39 ALA CB C 39 20.996 20.996 21.461 -0.465 19425 13075 1 16 . 1 1 39 39 ALA H H 39 6.837 6.837 7.678 -0.841 19425 13076 1 16 . 1 1 40 40 GLU N N 40 119.966 119.966 118.630 1.336 19425 13077 1 16 . 1 1 40 40 GLU C C 40 176.205 176.205 176.276 -0.071 19425 13078 1 16 . 1 1 40 40 GLU CA C 40 55.950 55.950 55.025 0.925 19425 13079 1 16 . 1 1 40 40 GLU CB C 40 31.836 31.836 32.498 -0.662 19425 13080 1 16 . 1 1 40 40 GLU H H 40 8.413 8.413 8.638 -0.225 19425 13081 1 16 . 1 1 41 41 GLY N N 41 108.646 108.646 109.517 -0.871 19425 13082 1 16 . 1 1 41 41 GLY C C 41 176.892 176.892 173.849 3.043 19425 13083 1 16 . 1 1 41 41 GLY CA C 41 45.628 45.628 45.319 0.309 19425 13084 1 16 . 1 1 41 41 GLY H H 41 8.463 8.463 9.022 -0.559 19425 13085 1 16 . 1 1 43 43 GLY N N 43 109.557 109.557 113.601 -4.044 19425 13086 1 16 . 1 1 43 43 GLY C C 43 176.465 176.465 174.651 1.814 19425 13087 1 16 . 1 1 43 43 GLY CA C 43 45.397 45.397 45.656 -0.259 19425 13088 1 16 . 1 1 43 43 GLY H H 43 8.510 8.510 7.871 0.639 19425 13089 1 16 . 1 1 44 44 ASN N N 44 116.850 116.850 122.236 -5.386 19425 13090 1 16 . 1 1 44 44 ASN C C 44 173.830 173.830 175.339 -1.509 19425 13091 1 16 . 1 1 44 44 ASN CA C 44 54.184 54.184 52.711 1.473 19425 13092 1 16 . 1 1 44 44 ASN CB C 44 38.252 38.252 37.641 0.612 19425 13093 1 16 . 1 1 44 44 ASN H H 44 8.028 8.028 8.693 -0.665 19425 13094 1 16 . 1 1 45 45 ARG N N 45 118.226 118.226 114.443 3.783 19425 13095 1 16 . 1 1 45 45 ARG C C 45 174.072 174.072 174.785 -0.713 19425 13096 1 16 . 1 1 45 45 ARG CA C 45 56.077 56.077 57.197 -1.120 19425 13097 1 16 . 1 1 45 45 ARG CB C 45 31.231 31.231 27.029 4.202 19425 13098 1 16 . 1 1 45 45 ARG H H 45 7.759 7.759 7.516 0.243 19425 13099 1 16 . 1 1 46 46 LEU N N 46 124.643 124.643 119.612 5.031 19425 13100 1 16 . 1 1 46 46 LEU C C 46 176.447 176.447 177.017 -0.570 19425 13101 1 16 . 1 1 46 46 LEU CA C 46 54.667 54.667 54.382 0.285 19425 13102 1 16 . 1 1 46 46 LEU CB C 46 42.605 42.605 42.911 -0.306 19425 13103 1 16 . 1 1 46 46 LEU H H 46 8.695 8.695 8.064 0.631 19425 13104 1 16 . 1 1 47 47 CYS N N 47 119.241 119.241 120.776 -1.535 19425 13105 1 16 . 1 1 47 47 CYS C C 47 176.651 176.651 175.074 1.577 19425 13106 1 16 . 1 1 47 47 CYS CA C 47 55.885 55.885 59.794 -3.909 19425 13107 1 16 . 1 1 47 47 CYS CB C 47 31.112 31.112 27.030 4.082 19425 13108 1 16 . 1 1 47 47 CYS H H 47 9.007 9.007 8.568 0.439 19425 13109 1 16 . 1 1 48 48 PHE N N 48 114.081 114.081 118.554 -4.473 19425 13110 1 16 . 1 1 48 48 PHE C C 48 170.342 170.342 173.021 -2.679 19425 13111 1 16 . 1 1 48 48 PHE CA C 48 57.405 57.405 55.818 1.587 19425 13112 1 16 . 1 1 48 48 PHE CB C 48 43.263 43.263 40.123 3.140 19425 13113 1 16 . 1 1 48 48 PHE H H 48 8.647 8.647 8.549 0.098 19425 13114 1 16 . 1 1 49 49 LEU N N 49 122.287 122.287 119.205 3.082 19425 13115 1 16 . 1 1 49 49 LEU C C 49 176.236 176.236 176.125 0.111 19425 13116 1 16 . 1 1 49 49 LEU CA C 49 53.285 53.285 53.792 -0.507 19425 13117 1 16 . 1 1 49 49 LEU CB C 49 42.907 42.907 45.511 -2.604 19425 13118 1 16 . 1 1 49 49 LEU H H 49 9.108 9.108 8.836 0.272 19425 13119 1 16 . 1 1 50 50 GLU N N 50 123.206 123.206 122.758 0.448 19425 13120 1 16 . 1 1 50 50 GLU C C 50 177.671 177.671 175.411 2.260 19425 13121 1 16 . 1 1 50 50 GLU CA C 50 57.084 57.084 54.653 2.431 19425 13122 1 16 . 1 1 50 50 GLU CB C 50 30.123 30.123 33.337 -3.214 19425 13123 1 16 . 1 1 50 50 GLU H H 50 8.834 8.834 8.900 -0.066 19425 13124 1 16 . 1 1 51 51 SER N N 51 118.500 118.500 119.989 -1.489 19425 13125 1 16 . 1 1 51 51 SER C C 51 176.706 176.706 174.476 2.230 19425 13126 1 16 . 1 1 51 51 SER CA C 51 58.560 58.560 59.434 -0.873 19425 13127 1 16 . 1 1 51 51 SER CB C 51 63.979 63.979 64.276 -0.297 19425 13128 1 16 . 1 1 51 51 SER H H 51 8.461 8.461 8.858 -0.397 19425 13129 1 16 . 1 1 52 52 THR N N 52 116.205 116.205 115.547 0.658 19425 13130 1 16 . 1 1 52 52 THR C C 52 174.808 174.808 174.588 0.220 19425 13131 1 16 . 1 1 52 52 THR CA C 52 61.891 61.891 61.196 0.695 19425 13132 1 16 . 1 1 52 52 THR CB C 52 70.076 70.076 69.676 0.400 19425 13133 1 16 . 1 1 52 52 THR H H 52 8.199 8.199 8.200 -0.001 19425 13134 1 16 . 1 1 65 65 CYS N N 65 117.553 117.553 120.062 -2.509 19425 13135 1 16 . 1 1 65 65 CYS C C 65 176.948 176.948 174.271 2.677 19425 13136 1 16 . 1 1 65 65 CYS CA C 65 57.900 57.900 56.332 1.568 19425 13137 1 16 . 1 1 65 65 CYS CB C 65 30.290 30.290 26.820 3.470 19425 13138 1 16 . 1 1 65 65 CYS H H 65 7.539 7.539 7.750 -0.211 19425 13139 1 16 . 1 1 66 66 THR N N 66 113.614 113.614 119.368 -5.754 19425 13140 1 16 . 1 1 66 66 THR C C 66 180.325 180.325 173.467 6.858 19425 13141 1 16 . 1 1 66 66 THR CA C 66 63.399 63.399 64.138 -0.739 19425 13142 1 16 . 1 1 66 66 THR CB C 66 69.281 69.281 69.017 0.264 19425 13143 1 16 . 1 1 66 66 THR H H 66 6.851 6.851 7.297 -0.446 19425 13144 1 16 . 1 1 67 67 PHE N N 67 126.248 126.248 125.361 0.887 19425 13145 1 16 . 1 1 67 67 PHE C C 67 174.424 174.424 173.989 0.435 19425 13146 1 16 . 1 1 67 67 PHE CA C 67 56.184 56.184 57.050 -0.866 19425 13147 1 16 . 1 1 67 67 PHE CB C 67 43.291 43.291 44.290 -0.999 19425 13148 1 16 . 1 1 67 67 PHE H H 67 9.603 9.603 9.333 0.270 19425 13149 1 16 . 1 1 68 68 VAL N N 68 121.310 121.310 119.132 2.178 19425 13150 1 16 . 1 1 68 68 VAL C C 68 173.719 173.719 175.632 -1.913 19425 13151 1 16 . 1 1 68 68 VAL CA C 68 60.935 60.935 60.971 -0.036 19425 13152 1 16 . 1 1 68 68 VAL CB C 68 34.522 34.522 34.068 0.454 19425 13153 1 16 . 1 1 68 68 VAL H H 68 9.968 9.968 8.671 1.297 19425 13154 1 16 . 1 1 69 69 LEU N N 69 127.011 127.011 128.781 -1.770 19425 13155 1 16 . 1 1 69 69 LEU C C 69 177.152 177.152 177.858 -0.706 19425 13156 1 16 . 1 1 69 69 LEU CA C 69 53.083 53.083 54.583 -1.500 19425 13157 1 16 . 1 1 69 69 LEU CB C 69 39.652 39.652 39.304 0.348 19425 13158 1 16 . 1 1 69 69 LEU H H 69 8.135 8.135 8.765 -0.630 19425 13159 1 16 . 1 1 70 70 GLU N N 70 129.683 129.683 121.565 8.118 19425 13160 1 16 . 1 1 70 70 GLU C C 70 174.869 174.869 176.824 -1.955 19425 13161 1 16 . 1 1 70 70 GLU CA C 70 59.747 59.747 59.131 0.616 19425 13162 1 16 . 1 1 70 70 GLU CB C 70 31.291 31.291 29.914 1.377 19425 13163 1 16 . 1 1 70 70 GLU H H 70 8.654 8.654 8.355 0.299 19425 13164 1 16 . 1 1 71 71 GLN N N 71 110.287 110.287 117.151 -6.864 19425 13165 1 16 . 1 1 71 71 GLN C C 71 176.094 176.094 174.889 1.205 19425 13166 1 16 . 1 1 71 71 GLN CA C 71 54.030 54.030 54.460 -0.430 19425 13167 1 16 . 1 1 71 71 GLN CB C 71 33.112 33.112 32.958 0.154 19425 13168 1 16 . 1 1 71 71 GLN H H 71 7.318 7.318 7.680 -0.362 19425 13169 1 16 . 1 1 72 72 SER N N 72 116.205 116.205 116.387 -0.182 19425 13170 1 16 . 1 1 72 72 SER C C 72 174.035 174.035 173.367 0.668 19425 13171 1 16 . 1 1 72 72 SER CA C 72 58.132 58.132 58.316 -0.184 19425 13172 1 16 . 1 1 72 72 SER CB C 72 64.295 64.295 63.811 0.484 19425 13173 1 16 . 1 1 72 72 SER H H 72 8.380 8.380 8.666 -0.286 19425 13174 1 16 . 1 1 73 73 LEU N N 73 127.858 127.858 123.781 4.077 19425 13175 1 16 . 1 1 73 73 LEU C C 73 173.701 173.701 175.798 -2.097 19425 13176 1 16 . 1 1 73 73 LEU CA C 73 53.347 53.347 53.211 0.136 19425 13177 1 16 . 1 1 73 73 LEU CB C 73 45.926 45.926 44.661 1.265 19425 13178 1 16 . 1 1 73 73 LEU H H 73 9.532 9.532 8.893 0.639 19425 13179 1 16 . 1 1 74 74 SER N N 74 115.724 115.724 114.490 1.234 19425 13180 1 16 . 1 1 74 74 SER C C 74 177.541 177.541 175.925 1.616 19425 13181 1 16 . 1 1 74 74 SER CA C 74 57.905 57.905 57.431 0.474 19425 13182 1 16 . 1 1 74 74 SER CB C 74 63.901 63.901 63.443 0.458 19425 13183 1 16 . 1 1 74 74 SER H H 74 8.240 8.240 8.185 0.055 19425 13184 1 16 . 1 1 75 75 VAL N N 75 122.994 122.994 127.237 -4.243 19425 13185 1 16 . 1 1 75 75 VAL C C 75 174.610 174.610 177.570 -2.960 19425 13186 1 16 . 1 1 75 75 VAL CA C 75 67.104 67.104 66.770 0.334 19425 13187 1 16 . 1 1 75 75 VAL CB C 75 30.953 30.953 31.148 -0.195 19425 13188 1 16 . 1 1 75 75 VAL H H 75 9.056 9.056 8.918 0.138 19425 13189 1 16 . 1 1 76 76 ARG N N 76 119.193 119.193 121.007 -1.814 19425 13190 1 16 . 1 1 76 76 ARG C C 76 178.228 178.228 178.273 -0.045 19425 13191 1 16 . 1 1 76 76 ARG CA C 76 59.087 59.087 60.050 -0.963 19425 13192 1 16 . 1 1 76 76 ARG CB C 76 29.280 29.280 29.786 -0.506 19425 13193 1 16 . 1 1 76 76 ARG H H 76 8.137 8.137 7.593 0.544 19425 13194 1 16 . 1 1 77 77 ALA N N 77 122.977 122.977 120.147 2.830 19425 13195 1 16 . 1 1 77 77 ALA C C 77 178.506 178.506 179.718 -1.212 19425 13196 1 16 . 1 1 77 77 ALA CA C 77 54.926 54.926 54.625 0.301 19425 13197 1 16 . 1 1 77 77 ALA CB C 77 18.231 18.231 17.858 0.373 19425 13198 1 16 . 1 1 77 77 ALA H H 77 7.699 7.699 8.025 -0.326 19425 13199 1 16 . 1 1 78 78 LEU N N 78 121.115 121.115 120.068 1.047 19425 13200 1 16 . 1 1 78 78 LEU C C 78 180.640 180.640 178.398 2.242 19425 13201 1 16 . 1 1 78 78 LEU CA C 78 57.985 57.985 57.400 0.585 19425 13202 1 16 . 1 1 78 78 LEU CB C 78 40.522 40.522 41.301 -0.779 19425 13203 1 16 . 1 1 78 78 LEU H H 78 8.303 8.303 8.266 0.037 19425 13204 1 16 . 1 1 79 79 GLN N N 79 116.873 116.873 117.420 -0.547 19425 13205 1 16 . 1 1 79 79 GLN C C 79 177.875 177.875 178.427 -0.552 19425 13206 1 16 . 1 1 79 79 GLN CA C 79 59.069 59.069 59.023 0.046 19425 13207 1 16 . 1 1 79 79 GLN CB C 79 27.254 27.254 28.363 -1.109 19425 13208 1 16 . 1 1 79 79 GLN H H 79 8.390 8.390 8.224 0.166 19425 13209 1 16 . 1 1 80 80 GLU N N 80 120.455 120.455 120.935 -0.480 19425 13210 1 16 . 1 1 80 80 GLU C C 80 179.749 179.749 178.628 1.121 19425 13211 1 16 . 1 1 80 80 GLU CA C 80 59.413 59.413 58.903 0.510 19425 13212 1 16 . 1 1 80 80 GLU CB C 80 29.142 29.142 29.125 0.017 19425 13213 1 16 . 1 1 80 80 GLU H H 80 7.942 7.942 7.957 -0.015 19425 13214 1 16 . 1 1 81 81 MET N N 81 120.541 120.541 118.561 1.980 19425 13215 1 16 . 1 1 81 81 MET C C 81 178.599 178.599 178.841 -0.242 19425 13216 1 16 . 1 1 81 81 MET CA C 81 59.665 59.665 59.313 0.352 19425 13217 1 16 . 1 1 81 81 MET CB C 81 32.534 32.534 32.688 -0.154 19425 13218 1 16 . 1 1 81 81 MET H H 81 7.870 7.870 7.985 -0.115 19425 13219 1 16 . 1 1 82 82 LEU N N 82 119.662 119.662 118.373 1.289 19425 13220 1 16 . 1 1 82 82 LEU C C 82 179.638 179.638 178.613 1.025 19425 13221 1 16 . 1 1 82 82 LEU CA C 82 57.669 57.669 56.974 0.695 19425 13222 1 16 . 1 1 82 82 LEU CB C 82 40.783 40.783 41.715 -0.931 19425 13223 1 16 . 1 1 82 82 LEU H H 82 8.488 8.488 7.932 0.556 19425 13224 1 16 . 1 1 83 83 ALA N N 83 120.827 120.827 120.105 0.722 19425 13225 1 16 . 1 1 83 83 ALA C C 83 179.323 179.323 179.950 -0.627 19425 13226 1 16 . 1 1 83 83 ALA CA C 83 54.073 54.073 54.586 -0.513 19425 13227 1 16 . 1 1 83 83 ALA CB C 83 18.326 18.326 18.666 -0.340 19425 13228 1 16 . 1 1 83 83 ALA H H 83 7.704 7.704 7.949 -0.245 19425 13229 1 16 . 1 1 84 84 ASN N N 84 115.853 115.853 115.473 0.380 19425 13230 1 16 . 1 1 84 84 ASN C C 84 178.944 178.944 176.144 2.800 19425 13231 1 16 . 1 1 84 84 ASN CA C 84 54.167 54.167 55.255 -1.088 19425 13232 1 16 . 1 1 84 84 ASN CB C 84 39.465 39.465 38.627 0.838 19425 13233 1 16 . 1 1 84 84 ASN H H 84 7.729 7.729 7.985 -0.256 19425 13234 1 16 . 1 1 85 85 THR N N 85 112.611 112.611 107.284 5.327 19425 13235 1 16 . 1 1 85 85 THR C C 85 175.569 175.569 175.318 0.251 19425 13236 1 16 . 1 1 85 85 THR CA C 85 63.086 63.086 63.421 -0.335 19425 13237 1 16 . 1 1 85 85 THR CB C 85 70.071 70.071 68.794 1.277 19425 13238 1 16 . 1 1 85 85 THR H H 85 7.698 7.698 7.191 0.507 19425 13239 1 16 . 1 1 86 86 VAL N N 86 121.812 121.812 120.398 1.414 19425 13240 1 16 . 1 1 86 86 VAL C C 86 174.573 174.573 176.994 -2.421 19425 13241 1 16 . 1 1 86 86 VAL CA C 86 62.811 62.811 63.956 -1.145 19425 13242 1 16 . 1 1 86 86 VAL CB C 86 32.730 32.730 32.235 0.495 19425 13243 1 16 . 1 1 86 86 VAL H H 86 7.874 7.874 7.275 0.599 19425 13244 1 16 . 1 1 87 87 GLU N N 87 124.330 124.330 119.555 4.775 19425 13245 1 16 . 1 1 87 87 GLU C C 87 176.280 176.280 177.277 -0.997 19425 13246 1 16 . 1 1 87 87 GLU CA C 87 56.877 56.877 58.975 -2.098 19425 13247 1 16 . 1 1 87 87 GLU CB C 87 29.852 29.852 29.802 0.050 19425 13248 1 16 . 1 1 87 87 GLU H H 87 8.403 8.403 8.032 0.371 19425 13249 1 16 . 1 1 88 88 LYS N N 88 122.065 122.065 116.896 5.169 19425 13250 1 16 . 1 1 88 88 LYS C C 88 176.966 176.966 176.184 0.782 19425 13251 1 16 . 1 1 88 88 LYS CA C 88 56.799 56.799 56.284 0.515 19425 13252 1 16 . 1 1 88 88 LYS CB C 88 32.597 32.597 33.941 -1.343 19425 13253 1 16 . 1 1 88 88 LYS H H 88 8.330 8.330 8.175 0.155 19425 13254 1 16 . 1 1 89 89 SER N N 89 116.192 116.192 118.157 -1.965 19425 13255 1 16 . 1 1 89 89 SER C C 89 176.865 176.865 173.164 3.701 19425 13256 1 16 . 1 1 89 89 SER CA C 89 59.008 59.008 58.738 0.270 19425 13257 1 16 . 1 1 89 89 SER CB C 89 63.765 63.765 63.889 -0.124 19425 13258 1 16 . 1 1 89 89 SER H H 89 8.247 8.247 8.205 0.042 19425 13259 1 16 . 1 1 90 90 GLU N N 90 122.006 122.006 122.152 -0.146 19425 13260 1 16 . 1 1 90 90 GLU C C 90 174.702 174.702 176.391 -1.689 19425 13261 1 16 . 1 1 90 90 GLU CA C 90 57.231 57.231 56.535 0.696 19425 13262 1 16 . 1 1 90 90 GLU CB C 90 29.442 29.442 31.038 -1.596 19425 13263 1 16 . 1 1 90 90 GLU H H 90 8.560 8.560 8.600 -0.040 19425 13264 1 16 . 1 1 91 91 GLY N N 91 110.052 110.052 111.634 -1.582 19425 13265 1 16 . 1 1 91 91 GLY C C 91 177.170 177.170 173.868 3.302 19425 13266 1 16 . 1 1 91 91 GLY CA C 91 45.634 45.634 45.446 0.188 19425 13267 1 16 . 1 1 91 91 GLY H H 91 8.358 8.358 8.633 -0.275 19425 13268 1 16 . 1 1 92 92 GLN N N 92 120.053 120.053 119.149 0.904 19425 13269 1 16 . 1 1 92 92 GLN C C 92 173.905 173.905 174.116 -0.211 19425 13270 1 16 . 1 1 92 92 GLN CA C 92 55.261 55.261 54.963 0.298 19425 13271 1 16 . 1 1 92 92 GLN CB C 92 29.573 29.573 30.857 -1.284 19425 13272 1 16 . 1 1 92 92 GLN H H 92 8.075 8.075 7.642 0.433 19425 13273 1 16 . 1 1 93 93 VAL N N 93 123.434 123.434 120.043 3.391 19425 13274 1 16 . 1 1 93 93 VAL C C 93 175.667 175.667 174.698 0.969 19425 13275 1 16 . 1 1 93 93 VAL CA C 93 62.914 62.914 61.919 0.995 19425 13276 1 16 . 1 1 93 93 VAL CB C 93 32.629 32.629 33.412 -0.783 19425 13277 1 16 . 1 1 93 93 VAL H H 93 8.370 8.370 8.328 0.042 19425 13278 1 16 . 1 1 94 94 ASP N N 94 125.761 125.761 123.504 2.257 19425 13279 1 16 . 1 1 94 94 ASP C C 94 175.704 175.704 176.095 -0.391 19425 13280 1 16 . 1 1 94 94 ASP CA C 94 53.743 53.743 54.762 -1.019 19425 13281 1 16 . 1 1 94 94 ASP CB C 94 40.771 40.771 40.224 0.547 19425 13282 1 16 . 1 1 94 94 ASP H H 94 8.550 8.550 7.977 0.573 19425 13283 1 16 . 1 1 95 95 VAL N N 95 125.064 125.064 118.307 6.757 19425 13284 1 16 . 1 1 95 95 VAL C C 95 176.465 176.465 176.798 -0.333 19425 13285 1 16 . 1 1 95 95 VAL CA C 95 65.487 65.487 63.471 2.015 19425 13286 1 16 . 1 1 95 95 VAL CB C 95 31.773 31.773 31.883 -0.110 19425 13287 1 16 . 1 1 95 95 VAL H H 95 8.300 8.300 7.357 0.943 19425 13288 1 16 . 1 1 96 96 GLU N N 96 120.880 120.880 122.357 -1.477 19425 13289 1 16 . 1 1 96 96 GLU C C 96 177.523 177.523 177.883 -0.360 19425 13290 1 16 . 1 1 96 96 GLU CA C 96 59.157 59.157 58.592 0.565 19425 13291 1 16 . 1 1 96 96 GLU CB C 96 28.575 28.575 29.376 -0.801 19425 13292 1 16 . 1 1 96 96 GLU H H 96 8.297 8.297 8.399 -0.102 19425 13293 1 16 . 1 1 97 97 LYS N N 97 121.943 121.943 119.616 2.327 19425 13294 1 16 . 1 1 97 97 LYS C C 97 179.434 179.434 178.411 1.023 19425 13295 1 16 . 1 1 97 97 LYS CA C 97 59.186 59.186 58.740 0.446 19425 13296 1 16 . 1 1 97 97 LYS CB C 97 32.036 32.036 32.629 -0.593 19425 13297 1 16 . 1 1 97 97 LYS H H 97 7.979 7.979 8.178 -0.199 19425 13298 1 16 . 1 1 98 98 TRP N N 98 121.420 121.420 121.216 0.204 19425 13299 1 16 . 1 1 98 98 TRP C C 98 178.673 178.673 178.416 0.257 19425 13300 1 16 . 1 1 98 98 TRP CA C 98 60.176 60.176 60.288 -0.112 19425 13301 1 16 . 1 1 98 98 TRP CB C 98 29.340 29.340 28.835 0.505 19425 13302 1 16 . 1 1 98 98 TRP H H 98 8.202 8.202 8.362 -0.160 19425 13303 1 16 . 1 1 99 99 LYS N N 99 118.236 118.236 117.685 0.551 19425 13304 1 16 . 1 1 99 99 LYS C C 99 177.374 177.374 179.022 -1.648 19425 13305 1 16 . 1 1 99 99 LYS CA C 99 59.812 59.812 58.954 0.858 19425 13306 1 16 . 1 1 99 99 LYS CB C 99 32.042 32.042 31.639 0.403 19425 13307 1 16 . 1 1 99 99 LYS H H 99 8.346 8.346 8.599 -0.253 19425 13308 1 16 . 1 1 100 100 PHE N N 100 120.365 120.365 121.657 -1.292 19425 13309 1 16 . 1 1 100 100 PHE C C 100 179.193 179.193 177.457 1.736 19425 13310 1 16 . 1 1 100 100 PHE CA C 100 60.902 60.902 61.763 -0.861 19425 13311 1 16 . 1 1 100 100 PHE CB C 100 38.875 38.875 39.422 -0.547 19425 13312 1 16 . 1 1 100 100 PHE H H 100 7.916 7.916 7.753 0.163 19425 13313 1 16 . 1 1 101 101 MET N N 101 121.837 121.837 120.565 1.272 19425 13314 1 16 . 1 1 101 101 MET C C 101 178.172 178.172 178.372 -0.200 19425 13315 1 16 . 1 1 101 101 MET CA C 101 58.625 58.625 59.176 -0.551 19425 13316 1 16 . 1 1 101 101 MET CB C 101 32.081 32.081 32.880 -0.799 19425 13317 1 16 . 1 1 101 101 MET H H 101 8.393 8.393 8.313 0.080 19425 13318 1 16 . 1 1 102 102 MET N N 102 119.901 119.901 118.432 1.469 19425 13319 1 16 . 1 1 102 102 MET C C 102 178.655 178.655 177.573 1.082 19425 13320 1 16 . 1 1 102 102 MET CA C 102 57.867 57.867 59.469 -1.602 19425 13321 1 16 . 1 1 102 102 MET CB C 102 32.414 32.414 32.626 -0.211 19425 13322 1 16 . 1 1 102 102 MET H H 102 8.174 8.174 8.525 -0.351 19425 13323 1 16 . 1 1 103 103 LYS N N 103 120.555 120.555 119.412 1.143 19425 13324 1 16 . 1 1 103 103 LYS C C 103 177.857 177.857 179.134 -1.277 19425 13325 1 16 . 1 1 103 103 LYS CA C 103 58.592 58.592 59.700 -1.108 19425 13326 1 16 . 1 1 103 103 LYS CB C 103 31.816 31.816 32.312 -0.496 19425 13327 1 16 . 1 1 103 103 LYS H H 103 7.899 7.899 7.957 -0.058 19425 13328 1 16 . 1 1 104 104 THR N N 104 115.450 115.450 115.545 -0.095 19425 13329 1 16 . 1 1 104 104 THR C C 104 179.267 179.267 176.156 3.111 19425 13330 1 16 . 1 1 104 104 THR CA C 104 64.914 64.914 66.539 -1.625 19425 13331 1 16 . 1 1 104 104 THR CB C 104 69.103 69.103 68.721 0.382 19425 13332 1 16 . 1 1 104 104 THR H H 104 7.895 7.895 7.992 -0.097 19425 13333 1 16 . 1 1 105 105 ALA N N 105 124.862 124.862 124.004 0.858 19425 13334 1 16 . 1 1 105 105 ALA C C 105 176.057 176.057 179.163 -3.106 19425 13335 1 16 . 1 1 105 105 ALA CA C 105 54.106 54.106 55.023 -0.917 19425 13336 1 16 . 1 1 105 105 ALA CB C 105 18.493 18.493 18.361 0.132 19425 13337 1 16 . 1 1 105 105 ALA H H 105 7.896 7.896 7.926 -0.030 19425 13338 1 16 . 1 1 106 106 GLN N N 106 117.285 117.285 116.558 0.727 19425 13339 1 16 . 1 1 106 106 GLN C C 106 178.655 178.655 178.472 0.183 19425 13340 1 16 . 1 1 106 106 GLN CA C 106 56.913 56.913 57.708 -0.795 19425 13341 1 16 . 1 1 106 106 GLN CB C 106 29.148 29.148 28.817 0.331 19425 13342 1 16 . 1 1 106 106 GLN H H 106 7.944 7.944 8.172 -0.228 19425 13343 1 16 . 1 1 107 107 GLY N N 107 107.494 107.494 108.724 -1.230 19425 13344 1 16 . 1 1 107 107 GLY C C 107 177.597 177.597 175.445 2.152 19425 13345 1 16 . 1 1 107 107 GLY CA C 107 45.975 45.975 45.378 0.597 19425 13346 1 16 . 1 1 107 107 GLY H H 107 7.852 7.852 7.784 0.068 19425 13347 1 16 . 1 1 108 108 GLY N N 108 109.642 109.642 109.736 -0.094 19425 13348 1 16 . 1 1 108 108 GLY C C 108 174.740 174.740 174.186 0.554 19425 13349 1 16 . 1 1 108 108 GLY CA C 108 45.151 45.151 45.614 -0.463 19425 13350 1 16 . 1 1 108 108 GLY H H 108 8.313 8.313 8.005 0.308 19425 13351 1 16 . 1 1 109 109 GLY N N 109 108.058 108.058 107.480 0.578 19425 13352 1 16 . 1 1 109 109 GLY C C 109 174.313 174.313 172.023 2.290 19425 13353 1 16 . 1 1 109 109 GLY CA C 109 44.659 44.659 44.601 0.058 19425 13354 1 16 . 1 1 109 109 GLY H H 109 8.059 8.059 8.118 -0.059 19425 13355 1 16 . 1 1 110 110 HIS N N 110 118.432 118.432 115.345 3.087 19425 13356 1 16 . 1 1 110 110 HIS C C 110 173.348 173.348 173.460 -0.112 19425 13357 1 16 . 1 1 110 110 HIS CA C 110 55.590 55.590 55.109 0.481 19425 13358 1 16 . 1 1 110 110 HIS CB C 110 28.502 28.502 32.686 -4.184 19425 13359 1 16 . 1 1 110 110 HIS H H 110 8.261 8.261 8.176 0.085 19425 13360 1 16 . 1 1 111 111 ARG N N 111 122.052 122.052 117.916 4.136 19425 13361 1 16 . 1 1 111 111 ARG C C 111 174.908 174.908 174.921 -0.013 19425 13362 1 16 . 1 1 111 111 ARG CA C 111 55.233 55.233 55.622 -0.389 19425 13363 1 16 . 1 1 111 111 ARG CB C 111 31.125 31.125 32.768 -1.643 19425 13364 1 16 . 1 1 111 111 ARG H H 111 8.597 8.597 8.868 -0.271 19425 13365 1 16 . 1 1 112 112 THR N N 112 120.248 120.248 117.703 2.545 19425 13366 1 16 . 1 1 112 112 THR C C 112 176.447 176.447 174.432 2.015 19425 13367 1 16 . 1 1 112 112 THR CA C 112 63.723 63.723 63.004 0.719 19425 13368 1 16 . 1 1 112 112 THR CB C 112 68.984 68.984 69.332 -0.348 19425 13369 1 16 . 1 1 112 112 THR H H 112 8.577 8.577 8.420 0.157 19425 13370 1 16 . 1 1 113 113 LEU N N 113 130.382 130.382 126.794 3.588 19425 13371 1 16 . 1 1 113 113 LEU C C 113 174.294 174.294 175.431 -1.137 19425 13372 1 16 . 1 1 113 113 LEU CA C 113 56.791 56.791 54.670 2.121 19425 13373 1 16 . 1 1 113 113 LEU CB C 113 41.705 41.705 42.534 -0.829 19425 13374 1 16 . 1 1 113 113 LEU H H 113 8.515 8.515 8.894 -0.379 19425 13375 1 16 . 1 1 114 114 LEU N N 114 118.829 118.829 122.219 -3.390 19425 13376 1 16 . 1 1 114 114 LEU C C 114 175.278 175.278 176.712 -1.434 19425 13377 1 16 . 1 1 114 114 LEU CA C 114 51.667 51.667 52.585 -0.918 19425 13378 1 16 . 1 1 114 114 LEU CB C 114 42.454 42.454 44.364 -1.910 19425 13379 1 16 . 1 1 114 114 LEU H H 114 6.454 6.454 7.995 -1.541 19425 13380 1 16 . 1 1 115 115 TYR N N 115 119.059 119.059 121.334 -2.275 19425 13381 1 16 . 1 1 115 115 TYR C C 115 177.152 177.152 177.380 -0.228 19425 13382 1 16 . 1 1 115 115 TYR CA C 115 62.452 62.452 60.693 1.759 19425 13383 1 16 . 1 1 115 115 TYR CB C 115 38.058 38.058 37.988 0.070 19425 13384 1 16 . 1 1 115 115 TYR H H 115 8.797 8.797 8.701 0.096 19425 13385 1 16 . 1 1 116 116 GLY N N 116 115.795 115.795 113.336 2.459 19425 13386 1 16 . 1 1 116 116 GLY C C 116 178.061 178.061 173.932 4.129 19425 13387 1 16 . 1 1 116 116 GLY CA C 116 45.100 45.100 45.130 -0.031 19425 13388 1 16 . 1 1 116 116 GLY H H 116 9.672 9.672 9.159 0.513 19425 13389 1 16 . 1 1 117 117 HIS N N 117 122.193 122.193 121.640 0.553 19425 13390 1 16 . 1 1 117 117 HIS C C 117 175.463 175.463 173.826 1.637 19425 13391 1 16 . 1 1 117 117 HIS CA C 117 56.119 56.119 55.697 0.422 19425 13392 1 16 . 1 1 117 117 HIS CB C 117 32.293 32.293 30.319 1.974 19425 13393 1 16 . 1 1 117 117 HIS H H 117 8.113 8.113 7.828 0.285 19425 13394 1 16 . 1 1 118 118 ALA N N 118 120.893 120.893 126.787 -5.894 19425 13395 1 16 . 1 1 118 118 ALA C C 118 173.775 173.775 176.133 -2.358 19425 13396 1 16 . 1 1 118 118 ALA CA C 118 50.378 50.378 51.431 -1.054 19425 13397 1 16 . 1 1 118 118 ALA CB C 118 21.646 21.646 19.638 2.008 19425 13398 1 16 . 1 1 118 118 ALA H H 118 9.458 9.458 8.885 0.573 19425 13399 1 16 . 1 1 120 120 LEU N N 120 119.631 119.631 124.529 -4.898 19425 13400 1 16 . 1 1 120 120 LEU C C 120 173.367 173.367 174.734 -1.367 19425 13401 1 16 . 1 1 120 120 LEU CA C 120 56.217 56.217 52.680 3.537 19425 13402 1 16 . 1 1 120 120 LEU CB C 120 39.519 39.519 43.651 -4.132 19425 13403 1 16 . 1 1 120 120 LEU H H 120 8.746 8.746 8.212 0.534 19425 13404 1 16 . 1 1 121 121 LEU N N 121 118.900 118.900 126.905 -8.005 19425 13405 1 16 . 1 1 121 121 LEU C C 121 171.400 171.400 175.950 -4.550 19425 13406 1 16 . 1 1 121 121 LEU CA C 121 52.852 52.852 53.781 -0.929 19425 13407 1 16 . 1 1 121 121 LEU CB C 121 43.452 43.452 42.860 0.592 19425 13408 1 16 . 1 1 121 121 LEU H H 121 8.590 8.590 8.593 -0.003 19425 13409 1 16 . 1 1 122 122 ARG N N 122 123.588 123.588 124.991 -1.403 19425 13410 1 16 . 1 1 122 122 ARG C C 122 176.465 176.465 175.482 0.983 19425 13411 1 16 . 1 1 122 122 ARG CA C 122 54.403 54.403 53.953 0.450 19425 13412 1 16 . 1 1 122 122 ARG CB C 122 32.897 32.897 31.699 1.198 19425 13413 1 16 . 1 1 122 122 ARG H H 122 9.077 9.077 8.810 0.267 19425 13414 1 16 . 1 1 123 123 HIS N N 123 131.440 131.440 127.504 3.936 19425 13415 1 16 . 1 1 123 123 HIS C C 123 175.704 175.704 175.559 0.145 19425 13416 1 16 . 1 1 123 123 HIS CA C 123 56.637 56.637 56.867 -0.230 19425 13417 1 16 . 1 1 123 123 HIS CB C 123 31.261 31.261 30.198 1.063 19425 13418 1 16 . 1 1 123 123 HIS H H 123 9.622 9.622 8.488 1.134 19425 13419 1 16 . 1 1 124 124 SER N N 124 127.024 127.024 125.325 1.699 19425 13420 1 16 . 1 1 124 124 SER C C 124 175.686 175.686 175.607 0.079 19425 13421 1 16 . 1 1 124 124 SER CA C 124 62.010 62.010 61.092 0.918 19425 13422 1 16 . 1 1 124 124 SER CB C 124 62.912 62.912 62.835 0.077 19425 13423 1 16 . 1 1 124 124 SER H H 124 7.840 7.840 7.769 0.071 19425 13424 1 16 . 1 1 125 125 TYR N N 125 119.708 119.708 120.817 -1.109 19425 13425 1 16 . 1 1 125 125 TYR C C 125 180.696 180.696 176.848 3.848 19425 13426 1 16 . 1 1 125 125 TYR CA C 125 60.903 60.903 61.026 -0.123 19425 13427 1 16 . 1 1 125 125 TYR CB C 125 38.744 38.744 38.428 0.316 19425 13428 1 16 . 1 1 125 125 TYR H H 125 8.746 8.746 7.438 1.308 19425 13429 1 16 . 1 1 126 126 SER N N 126 110.333 110.333 113.076 -2.743 19425 13430 1 16 . 1 1 126 126 SER C C 126 176.543 176.543 176.102 0.441 19425 13431 1 16 . 1 1 126 126 SER CA C 126 59.366 59.366 59.719 -0.353 19425 13432 1 16 . 1 1 126 126 SER CB C 126 65.282 65.282 64.562 0.719 19425 13433 1 16 . 1 1 126 126 SER H H 126 7.004 7.004 8.029 -1.025 19425 13434 1 16 . 1 1 127 127 GLY N N 127 113.322 113.322 110.462 2.860 19425 13435 1 16 . 1 1 127 127 GLY C C 127 176.428 176.428 174.314 2.114 19425 13436 1 16 . 1 1 127 127 GLY CA C 127 46.064 46.064 45.007 1.058 19425 13437 1 16 . 1 1 127 127 GLY H H 127 8.181 8.181 8.424 -0.243 19425 13438 1 16 . 1 1 128 128 MET N N 128 118.598 118.598 119.566 -0.968 19425 13439 1 16 . 1 1 128 128 MET C C 128 173.200 173.200 175.088 -1.888 19425 13440 1 16 . 1 1 128 128 MET CA C 128 55.429 55.429 56.672 -1.243 19425 13441 1 16 . 1 1 128 128 MET CB C 128 35.988 35.988 34.144 1.844 19425 13442 1 16 . 1 1 128 128 MET H H 128 7.551 7.551 7.526 0.025 19425 13443 1 16 . 1 1 129 129 TYR N N 129 116.715 116.715 114.446 2.269 19425 13444 1 16 . 1 1 129 129 TYR C C 129 172.884 172.884 175.866 -2.982 19425 13445 1 16 . 1 1 129 129 TYR CA C 129 58.658 58.658 57.145 1.513 19425 13446 1 16 . 1 1 129 129 TYR CB C 129 40.914 40.914 41.175 -0.261 19425 13447 1 16 . 1 1 129 129 TYR H H 129 8.923 8.923 8.566 0.357 19425 13448 1 16 . 1 1 130 130 LEU N N 130 123.061 123.061 124.493 -1.432 19425 13449 1 16 . 1 1 130 130 LEU C C 130 176.677 176.677 176.461 0.216 19425 13450 1 16 . 1 1 130 130 LEU CA C 130 56.311 56.311 56.262 0.049 19425 13451 1 16 . 1 1 130 130 LEU CB C 130 42.909 42.909 42.409 0.500 19425 13452 1 16 . 1 1 130 130 LEU H H 130 8.236 8.236 9.005 -0.769 19425 13453 1 16 . 1 1 131 131 CYS N N 131 126.618 126.618 127.293 -0.675 19425 13454 1 16 . 1 1 131 131 CYS C C 131 177.616 177.616 173.170 4.446 19425 13455 1 16 . 1 1 131 131 CYS CA C 131 57.028 57.028 57.267 -0.239 19425 13456 1 16 . 1 1 131 131 CYS CB C 131 32.339 32.339 30.832 1.507 19425 13457 1 16 . 1 1 131 131 CYS H H 131 9.516 9.516 9.500 0.016 19425 13458 1 16 . 1 1 132 132 CYS N N 132 124.860 124.860 127.838 -2.978 19425 13459 1 16 . 1 1 132 132 CYS C C 132 172.309 172.309 174.449 -2.140 19425 13460 1 16 . 1 1 132 132 CYS CA C 132 59.436 59.436 58.023 1.413 19425 13461 1 16 . 1 1 132 132 CYS CB C 132 27.383 27.383 25.749 1.634 19425 13462 1 16 . 1 1 132 132 CYS H H 132 8.142 8.142 8.352 -0.210 19425 13463 1 16 . 1 1 133 133 LEU N N 133 131.382 131.382 127.698 3.684 19425 13464 1 16 . 1 1 133 133 LEU C C 133 174.035 174.035 178.022 -3.987 19425 13465 1 16 . 1 1 133 133 LEU CA C 133 54.799 54.799 55.050 -0.251 19425 13466 1 16 . 1 1 133 133 LEU CB C 133 41.109 41.109 42.551 -1.442 19425 13467 1 16 . 1 1 133 133 LEU H H 133 9.008 9.008 8.224 0.784 19425 13468 1 16 . 1 1 134 134 SER N N 134 112.103 112.103 114.314 -2.211 19425 13469 1 16 . 1 1 134 134 SER C C 134 175.519 175.519 174.344 1.175 19425 13470 1 16 . 1 1 134 134 SER CA C 134 58.320 58.320 58.793 -0.473 19425 13471 1 16 . 1 1 134 134 SER CB C 134 63.979 63.979 62.631 1.348 19425 13472 1 16 . 1 1 134 134 SER H H 134 8.229 8.229 8.546 -0.317 19425 13473 1 16 . 1 1 135 135 THR N N 135 111.693 111.693 111.921 -0.228 19425 13474 1 16 . 1 1 135 135 THR C C 135 174.535 174.535 175.295 -0.760 19425 13475 1 16 . 1 1 135 135 THR CA C 135 60.703 60.703 60.719 -0.016 19425 13476 1 16 . 1 1 135 135 THR CB C 135 70.624 70.624 70.316 0.308 19425 13477 1 16 . 1 1 135 135 THR H H 135 7.292 7.292 7.242 0.050 19425 13478 1 16 . 1 1 136 136 SER N N 136 117.260 117.260 122.890 -5.630 19425 13479 1 16 . 1 1 136 136 SER C C 136 173.478 173.478 174.800 -1.322 19425 13480 1 16 . 1 1 136 136 SER CA C 136 57.537 57.537 61.936 -4.399 19425 13481 1 16 . 1 1 136 136 SER CB C 136 64.593 64.593 63.652 0.941 19425 13482 1 16 . 1 1 136 136 SER H H 136 8.544 8.544 8.878 -0.334 19425 13483 1 16 . 1 1 137 137 ARG N N 137 124.804 124.804 113.815 10.989 19425 13484 1 16 . 1 1 137 137 ARG C C 137 175.000 175.000 176.134 -1.134 19425 13485 1 16 . 1 1 137 137 ARG CA C 137 56.922 56.922 56.525 0.397 19425 13486 1 16 . 1 1 137 137 ARG CB C 137 30.733 30.733 31.957 -1.224 19425 13487 1 16 . 1 1 137 137 ARG H H 137 9.231 9.231 8.201 1.030 19425 13488 1 16 . 1 1 138 138 SER N N 138 126.225 126.225 115.288 10.937 19425 13489 1 16 . 1 1 138 138 SER C C 138 175.871 175.871 174.730 1.141 19425 13490 1 16 . 1 1 138 138 SER CA C 138 61.891 61.891 58.387 3.504 19425 13491 1 16 . 1 1 138 138 SER CB C 138 62.730 62.730 64.239 -1.509 19425 13492 1 16 . 1 1 138 138 SER H H 138 7.891 7.891 8.326 -0.435 19425 13493 1 16 . 1 1 140 140 THR N N 140 114.799 114.799 118.921 -4.122 19425 13494 1 16 . 1 1 140 140 THR C C 140 173.756 173.756 172.644 1.112 19425 13495 1 16 . 1 1 140 140 THR CA C 140 62.895 62.895 61.610 1.285 19425 13496 1 16 . 1 1 140 140 THR CB C 140 69.332 69.332 70.278 -0.946 19425 13497 1 16 . 1 1 140 140 THR H H 140 8.168 8.168 7.638 0.530 19425 13498 1 16 . 1 1 141 141 ASP N N 141 121.772 121.772 124.089 -2.317 19425 13499 1 16 . 1 1 141 141 ASP C C 141 174.795 174.795 175.713 -0.918 19425 13500 1 16 . 1 1 141 141 ASP CA C 141 54.001 54.001 54.366 -0.365 19425 13501 1 16 . 1 1 141 141 ASP CB C 141 40.914 40.914 42.005 -1.091 19425 13502 1 16 . 1 1 141 141 ASP H H 141 8.049 8.049 8.581 -0.532 19425 13503 1 16 . 1 1 142 142 LYS N N 142 121.585 121.585 123.020 -1.435 19425 13504 1 16 . 1 1 142 142 LYS C C 142 176.274 176.274 177.048 -0.774 19425 13505 1 16 . 1 1 142 142 LYS CA C 142 57.106 57.106 54.188 2.918 19425 13506 1 16 . 1 1 142 142 LYS CB C 142 31.369 31.369 33.693 -2.324 19425 13507 1 16 . 1 1 142 142 LYS H H 142 8.376 8.376 8.427 -0.051 19425 13508 1 16 . 1 1 143 143 LEU N N 143 119.604 119.604 121.433 -1.829 19425 13509 1 16 . 1 1 143 143 LEU C C 143 176.798 176.798 177.590 -0.792 19425 13510 1 16 . 1 1 143 143 LEU CA C 143 55.261 55.261 57.199 -1.938 19425 13511 1 16 . 1 1 143 143 LEU CB C 143 41.487 41.487 41.275 0.212 19425 13512 1 16 . 1 1 143 143 LEU H H 143 8.262 8.262 8.479 -0.217 19425 13513 1 16 . 1 1 144 144 ALA N N 144 123.881 123.881 117.578 6.303 19425 13514 1 16 . 1 1 144 144 ALA C C 144 176.410 176.410 176.373 0.037 19425 13515 1 16 . 1 1 144 144 ALA CA C 144 51.335 51.335 50.875 0.460 19425 13516 1 16 . 1 1 144 144 ALA CB C 144 20.924 20.924 21.071 -0.147 19425 13517 1 16 . 1 1 144 144 ALA H H 144 7.614 7.614 7.506 0.108 19425 13518 1 16 . 1 1 145 145 PHE N N 145 120.083 120.083 117.801 2.282 19425 13519 1 16 . 1 1 145 145 PHE C C 145 176.948 176.948 175.606 1.342 19425 13520 1 16 . 1 1 145 145 PHE CA C 145 55.872 55.872 56.732 -0.860 19425 13521 1 16 . 1 1 145 145 PHE CB C 145 42.468 42.468 41.343 1.125 19425 13522 1 16 . 1 1 145 145 PHE H H 145 8.647 8.647 8.645 0.002 19425 13523 1 16 . 1 1 146 146 ASP N N 146 119.893 119.893 120.306 -0.413 19425 13524 1 16 . 1 1 146 146 ASP C C 146 175.519 175.519 174.457 1.062 19425 13525 1 16 . 1 1 146 146 ASP CA C 146 54.679 54.679 54.705 -0.026 19425 13526 1 16 . 1 1 146 146 ASP CB C 146 42.169 42.169 42.883 -0.714 19425 13527 1 16 . 1 1 146 146 ASP H H 146 8.692 8.692 8.936 -0.244 19425 13528 1 16 . 1 1 147 147 VAL N N 147 118.800 118.800 121.666 -2.866 19425 13529 1 16 . 1 1 147 147 VAL C C 147 174.053 174.053 175.556 -1.503 19425 13530 1 16 . 1 1 147 147 VAL CA C 147 60.671 60.671 61.386 -0.715 19425 13531 1 16 . 1 1 147 147 VAL CB C 147 35.326 35.326 33.074 2.252 19425 13532 1 16 . 1 1 147 147 VAL H H 147 8.224 8.224 8.509 -0.285 19425 13533 1 16 . 1 1 148 148 GLY N N 148 113.226 113.226 114.632 -1.406 19425 13534 1 16 . 1 1 148 148 GLY C C 148 175.141 175.141 172.210 2.931 19425 13535 1 16 . 1 1 148 148 GLY CA C 148 45.384 45.384 43.873 1.511 19425 13536 1 16 . 1 1 148 148 GLY H H 148 8.594 8.594 8.927 -0.333 19425 13537 1 16 . 1 1 149 149 LEU N N 149 120.880 120.880 119.297 1.583 19425 13538 1 16 . 1 1 149 149 LEU C C 149 170.973 170.973 175.393 -4.420 19425 13539 1 16 . 1 1 149 149 LEU CA C 149 53.299 53.299 53.635 -0.336 19425 13540 1 16 . 1 1 149 149 LEU CB C 149 43.938 43.938 45.700 -1.762 19425 13541 1 16 . 1 1 149 149 LEU H H 149 8.303 8.303 8.143 0.160 19425 13542 1 16 . 1 1 150 150 GLN N N 150 118.978 118.978 119.192 -0.214 19425 13543 1 16 . 1 1 150 150 GLN C C 150 177.133 177.133 175.683 1.450 19425 13544 1 16 . 1 1 150 150 GLN CA C 150 54.723 54.723 55.180 -0.457 19425 13545 1 16 . 1 1 150 150 GLN CB C 150 32.690 32.690 32.698 -0.008 19425 13546 1 16 . 1 1 150 150 GLN H H 150 9.115 9.115 8.616 0.499 19425 13547 1 16 . 1 1 151 151 GLU N N 151 121.344 121.344 123.878 -2.534 19425 13548 1 16 . 1 1 151 151 GLU C C 151 175.333 175.333 175.990 -0.657 19425 13549 1 16 . 1 1 151 151 GLU CA C 151 59.140 59.140 58.445 0.695 19425 13550 1 16 . 1 1 151 151 GLU CB C 151 30.735 30.735 29.905 0.830 19425 13551 1 16 . 1 1 151 151 GLU H H 151 9.142 9.142 8.790 0.352 19425 13552 1 16 . 1 1 152 152 ASP N N 152 117.494 117.494 118.556 -1.062 19425 13553 1 16 . 1 1 152 152 ASP C C 152 176.391 176.391 176.638 -0.247 19425 13554 1 16 . 1 1 152 152 ASP CA C 152 54.139 54.139 54.478 -0.339 19425 13555 1 16 . 1 1 152 152 ASP CB C 152 41.920 41.920 41.830 0.090 19425 13556 1 16 . 1 1 152 152 ASP H H 152 8.023 8.023 8.148 -0.125 19425 13557 1 16 . 1 1 153 153 THR N N 153 111.969 111.969 108.166 3.803 19425 13558 1 16 . 1 1 153 153 THR C C 153 175.964 175.964 174.722 1.242 19425 13559 1 16 . 1 1 153 153 THR CA C 153 61.894 61.894 62.233 -0.339 19425 13560 1 16 . 1 1 153 153 THR CB C 153 68.903 68.903 69.407 -0.504 19425 13561 1 16 . 1 1 153 153 THR H H 153 7.985 7.985 8.144 -0.159 19425 13562 1 16 . 1 1 154 154 THR N N 154 113.978 113.978 114.145 -0.167 19425 13563 1 16 . 1 1 154 154 THR C C 154 175.000 175.000 175.350 -0.350 19425 13564 1 16 . 1 1 154 154 THR CA C 154 62.359 62.359 63.565 -1.206 19425 13565 1 16 . 1 1 154 154 THR CB C 154 69.210 69.210 68.383 0.827 19425 13566 1 16 . 1 1 154 154 THR H H 154 7.790 7.790 7.734 0.056 19425 13567 1 16 . 1 1 155 155 GLY N N 155 108.411 108.411 114.596 -6.185 19425 13568 1 16 . 1 1 155 155 GLY C C 155 174.702 174.702 172.289 2.413 19425 13569 1 16 . 1 1 155 155 GLY CA C 155 44.737 44.737 44.712 0.025 19425 13570 1 16 . 1 1 155 155 GLY H H 155 7.639 7.639 7.861 -0.222 19425 13571 1 16 . 1 1 156 156 GLU N N 156 118.666 118.666 119.519 -0.853 19425 13572 1 16 . 1 1 156 156 GLU C C 156 173.571 173.571 178.052 -4.481 19425 13573 1 16 . 1 1 156 156 GLU CA C 156 59.352 59.352 56.986 2.366 19425 13574 1 16 . 1 1 156 156 GLU CB C 156 31.248 31.248 30.321 0.927 19425 13575 1 16 . 1 1 156 156 GLU H H 156 8.606 8.606 8.690 -0.084 19425 13576 1 16 . 1 1 157 157 ALA N N 157 118.664 118.664 124.073 -5.409 19425 13577 1 16 . 1 1 157 157 ALA C C 157 177.727 177.727 178.464 -0.737 19425 13578 1 16 . 1 1 157 157 ALA CA C 157 55.063 55.063 54.567 0.496 19425 13579 1 16 . 1 1 157 157 ALA CB C 157 18.856 18.856 18.197 0.659 19425 13580 1 16 . 1 1 157 157 ALA H H 157 8.159 8.159 8.456 -0.297 19425 13581 1 16 . 1 1 158 158 CYS N N 158 114.681 114.681 114.751 -0.070 19425 13582 1 16 . 1 1 158 158 CYS C C 158 179.972 179.972 173.658 6.314 19425 13583 1 16 . 1 1 158 158 CYS CA C 158 57.585 57.585 59.011 -1.426 19425 13584 1 16 . 1 1 158 158 CYS CB C 158 27.977 27.977 26.622 1.355 19425 13585 1 16 . 1 1 158 158 CYS H H 158 7.973 7.973 8.265 -0.292 19425 13586 1 16 . 1 1 165 165 ALA N N 165 122.416 122.416 127.390 -4.974 19425 13587 1 16 . 1 1 165 165 ALA C C 165 176.743 176.743 177.850 -1.107 19425 13588 1 16 . 1 1 165 165 ALA CA C 165 52.390 52.390 53.953 -1.563 19425 13589 1 16 . 1 1 165 165 ALA CB C 165 20.486 20.486 19.259 1.227 19425 13590 1 16 . 1 1 165 165 ALA H H 165 8.190 8.190 8.613 -0.423 19425 13591 1 16 . 1 1 166 166 SER N N 166 111.681 111.681 112.789 -1.108 19425 13592 1 16 . 1 1 166 166 SER C C 166 176.876 176.876 174.624 2.252 19425 13593 1 16 . 1 1 166 166 SER CA C 166 56.863 56.863 57.105 -0.242 19425 13594 1 16 . 1 1 166 166 SER CB C 166 65.738 65.738 64.256 1.482 19425 13595 1 16 . 1 1 166 166 SER H H 166 7.690 7.690 7.531 0.159 19425 13596 1 16 . 1 1 167 167 LYS N N 167 121.655 121.655 120.019 1.636 19425 13597 1 16 . 1 1 167 167 LYS C C 167 175.241 175.241 176.503 -1.262 19425 13598 1 16 . 1 1 167 167 LYS CA C 167 55.297 55.297 57.096 -1.799 19425 13599 1 16 . 1 1 167 167 LYS CB C 167 31.364 31.364 32.231 -0.867 19425 13600 1 16 . 1 1 167 167 LYS H H 167 8.230 8.230 8.502 -0.272 19425 13601 1 16 . 1 1 168 168 GLN N N 168 117.832 117.832 116.917 0.915 19425 13602 1 16 . 1 1 168 168 GLN C C 168 176.836 176.836 175.853 0.983 19425 13603 1 16 . 1 1 168 168 GLN CA C 168 57.366 57.366 56.545 0.821 19425 13604 1 16 . 1 1 168 168 GLN CB C 168 28.979 28.979 28.834 0.145 19425 13605 1 16 . 1 1 168 168 GLN H H 168 8.134 8.134 8.115 0.019 19425 13606 1 16 . 1 1 169 169 ARG N N 169 117.052 117.052 118.950 -1.898 19425 13607 1 16 . 1 1 169 169 ARG C C 169 175.946 175.946 175.371 0.575 19425 13608 1 16 . 1 1 169 169 ARG CA C 169 52.885 52.885 54.856 -1.972 19425 13609 1 16 . 1 1 169 169 ARG CB C 169 32.795 32.795 30.828 1.967 19425 13610 1 16 . 1 1 169 169 ARG H H 169 7.209 7.209 7.862 -0.653 19425 13611 1 16 . 1 1 170 170 SER N N 170 114.335 114.335 114.638 -0.303 19425 13612 1 16 . 1 1 170 170 SER C C 170 174.387 174.387 173.538 0.849 19425 13613 1 16 . 1 1 170 170 SER CA C 170 56.976 56.976 56.674 0.302 19425 13614 1 16 . 1 1 170 170 SER CB C 170 66.348 66.348 66.664 -0.316 19425 13615 1 16 . 1 1 170 170 SER H H 170 8.279 8.279 8.557 -0.278 19425 13616 1 16 . 1 1 171 171 GLU N N 171 121.428 121.428 121.587 -0.159 19425 13617 1 16 . 1 1 171 171 GLU C C 171 173.293 173.293 177.214 -3.921 19425 13618 1 16 . 1 1 171 171 GLU CA C 171 58.658 58.658 57.345 1.313 19425 13619 1 16 . 1 1 171 171 GLU CB C 171 28.693 28.693 28.720 -0.027 19425 13620 1 16 . 1 1 171 171 GLU H H 171 8.540 8.540 8.709 -0.169 19425 13621 1 16 . 1 1 172 172 GLY N N 172 113.162 113.162 115.481 -2.319 19425 13622 1 16 . 1 1 172 172 GLY C C 172 177.504 177.504 174.405 3.099 19425 13623 1 16 . 1 1 172 172 GLY CA C 172 45.452 45.452 44.886 0.565 19425 13624 1 16 . 1 1 172 172 GLY H H 172 8.676 8.676 8.995 -0.319 19425 13625 1 16 . 1 1 173 173 GLU N N 173 119.545 119.545 121.458 -1.913 19425 13626 1 16 . 1 1 173 173 GLU C C 173 173.311 173.311 176.095 -2.784 19425 13627 1 16 . 1 1 173 173 GLU CA C 173 55.689 55.689 56.702 -1.013 19425 13628 1 16 . 1 1 173 173 GLU CB C 173 31.204 31.204 30.791 0.412 19425 13629 1 16 . 1 1 173 173 GLU H H 173 7.805 7.805 7.885 -0.080 19425 13630 1 16 . 1 1 174 174 LYS N N 174 120.834 120.834 121.073 -0.239 19425 13631 1 16 . 1 1 174 174 LYS C C 174 175.352 175.352 176.858 -1.506 19425 13632 1 16 . 1 1 174 174 LYS CA C 174 57.207 57.207 57.047 0.161 19425 13633 1 16 . 1 1 174 174 LYS CB C 174 34.185 34.185 32.908 1.277 19425 13634 1 16 . 1 1 174 174 LYS H H 174 8.215 8.215 8.503 -0.288 19425 13635 1 16 . 1 1 175 175 VAL N N 175 122.529 122.529 124.113 -1.584 19425 13636 1 16 . 1 1 175 175 VAL C C 175 176.595 176.595 175.249 1.346 19425 13637 1 16 . 1 1 175 175 VAL CA C 175 63.046 63.046 61.923 1.123 19425 13638 1 16 . 1 1 175 175 VAL CB C 175 31.265 31.265 31.930 -0.665 19425 13639 1 16 . 1 1 175 175 VAL H H 175 7.914 7.914 8.531 -0.617 19425 13640 1 16 . 1 1 176 176 ARG N N 176 127.622 127.622 127.555 0.067 19425 13641 1 16 . 1 1 176 176 ARG C C 176 175.742 175.742 176.922 -1.180 19425 13642 1 16 . 1 1 176 176 ARG CA C 176 55.767 55.767 54.773 0.994 19425 13643 1 16 . 1 1 176 176 ARG CB C 176 30.480 30.480 31.392 -0.912 19425 13644 1 16 . 1 1 176 176 ARG H H 176 7.570 7.570 8.662 -1.092 19425 13645 1 16 . 1 1 177 177 VAL N N 177 122.521 122.521 122.617 -0.096 19425 13646 1 16 . 1 1 177 177 VAL C C 177 177.523 177.523 177.056 0.467 19425 13647 1 16 . 1 1 177 177 VAL CA C 177 65.322 65.322 64.477 0.845 19425 13648 1 16 . 1 1 177 177 VAL CB C 177 31.431 31.431 31.361 0.070 19425 13649 1 16 . 1 1 177 177 VAL H H 177 8.276 8.276 7.986 0.290 19425 13650 1 16 . 1 1 179 179 ASP N N 179 122.577 122.577 123.822 -1.245 19425 13651 1 16 . 1 1 179 179 ASP C C 179 174.554 174.554 175.616 -1.062 19425 13652 1 16 . 1 1 179 179 ASP CA C 179 54.687 54.687 55.177 -0.490 19425 13653 1 16 . 1 1 179 179 ASP CB C 179 40.417 40.417 41.507 -1.090 19425 13654 1 16 . 1 1 179 179 ASP H H 179 7.848 7.848 7.919 -0.071 19425 13655 1 16 . 1 1 180 180 ASP N N 180 121.916 121.916 123.706 -1.790 19425 13656 1 16 . 1 1 180 180 ASP C C 180 174.610 174.610 176.226 -1.616 19425 13657 1 16 . 1 1 180 180 ASP CA C 180 54.379 54.379 55.209 -0.830 19425 13658 1 16 . 1 1 180 180 ASP CB C 180 42.178 42.178 40.885 1.293 19425 13659 1 16 . 1 1 180 180 ASP H H 180 8.521 8.521 8.496 0.025 19425 13660 1 16 . 1 1 181 181 LEU N N 181 121.499 121.499 123.305 -1.806 19425 13661 1 16 . 1 1 181 181 LEU C C 181 175.166 175.166 176.757 -1.591 19425 13662 1 16 . 1 1 181 181 LEU CA C 181 54.379 54.379 53.716 0.663 19425 13663 1 16 . 1 1 181 181 LEU CB C 181 45.395 45.395 44.430 0.965 19425 13664 1 16 . 1 1 181 181 LEU H H 181 9.782 9.782 9.052 0.730 19425 13665 1 16 . 1 1 185 185 SER N N 185 122.939 122.939 123.386 -0.447 19425 13666 1 16 . 1 1 185 185 SER C C 185 175.871 175.871 175.349 0.522 19425 13667 1 16 . 1 1 185 185 SER CA C 185 57.514 57.514 58.914 -1.400 19425 13668 1 16 . 1 1 185 185 SER CB C 185 62.772 62.772 63.197 -0.425 19425 13669 1 16 . 1 1 185 185 SER H H 185 9.183 9.183 8.981 0.202 19425 13670 1 16 . 1 1 186 186 VAL N N 186 131.799 131.799 127.230 4.569 19425 13671 1 16 . 1 1 186 186 VAL C C 186 177.226 177.226 176.814 0.412 19425 13672 1 16 . 1 1 186 186 VAL CA C 186 65.883 65.883 65.330 0.553 19425 13673 1 16 . 1 1 186 186 VAL CB C 186 31.190 31.190 31.192 -0.002 19425 13674 1 16 . 1 1 186 186 VAL H H 186 8.285 8.285 8.242 0.043 19425 13675 1 16 . 1 1 187 187 SER N N 187 110.228 110.228 115.360 -5.132 19425 13676 1 16 . 1 1 187 187 SER C C 187 177.077 177.077 175.340 1.737 19425 13677 1 16 . 1 1 187 187 SER CA C 187 60.200 60.200 60.929 -0.729 19425 13678 1 16 . 1 1 187 187 SER CB C 187 62.264 62.264 63.499 -1.235 19425 13679 1 16 . 1 1 187 187 SER H H 187 7.000 7.000 8.057 -1.057 19425 13680 1 16 . 1 1 188 188 SER N N 188 115.022 115.022 114.062 0.960 19425 13681 1 16 . 1 1 188 188 SER C C 188 176.632 176.632 173.778 2.854 19425 13682 1 16 . 1 1 188 188 SER CA C 188 58.889 58.889 57.440 1.449 19425 13683 1 16 . 1 1 188 188 SER CB C 188 66.818 66.818 63.854 2.964 19425 13684 1 16 . 1 1 188 188 SER H H 188 7.886 7.886 7.326 0.560 19425 13685 1 16 . 1 1 189 189 GLU N N 189 118.477 118.477 118.428 0.049 19425 13686 1 16 . 1 1 189 189 GLU C C 189 175.000 175.000 174.699 0.301 19425 13687 1 16 . 1 1 189 189 GLU CA C 189 58.562 58.562 57.977 0.585 19425 13688 1 16 . 1 1 189 189 GLU CB C 189 27.420 27.420 27.290 0.130 19425 13689 1 16 . 1 1 189 189 GLU H H 189 7.929 7.929 8.435 -0.506 19425 13690 1 16 . 1 1 190 190 ARG N N 190 116.828 116.828 117.310 -0.482 19425 13691 1 16 . 1 1 190 190 ARG C C 190 173.868 173.868 176.087 -2.219 19425 13692 1 16 . 1 1 190 190 ARG CA C 190 54.238 54.238 54.520 -0.282 19425 13693 1 16 . 1 1 190 190 ARG CB C 190 32.141 32.141 32.800 -0.659 19425 13694 1 16 . 1 1 190 190 ARG H H 190 6.723 6.723 7.224 -0.501 19425 13695 1 16 . 1 1 191 191 TYR N N 191 118.733 118.733 121.546 -2.813 19425 13696 1 16 . 1 1 191 191 TYR C C 191 174.368 174.368 177.364 -2.996 19425 13697 1 16 . 1 1 191 191 TYR CA C 191 57.405 57.405 58.713 -1.308 19425 13698 1 16 . 1 1 191 191 TYR CB C 191 39.444 39.444 39.470 -0.026 19425 13699 1 16 . 1 1 191 191 TYR H H 191 8.912 8.912 9.009 -0.097 19425 13700 1 16 . 1 1 192 192 LEU N N 192 123.460 123.460 124.614 -1.154 19425 13701 1 16 . 1 1 192 192 LEU C C 192 176.753 176.753 176.116 0.637 19425 13702 1 16 . 1 1 192 192 LEU CA C 192 57.061 57.061 54.198 2.863 19425 13703 1 16 . 1 1 192 192 LEU CB C 192 41.351 41.351 40.616 0.735 19425 13704 1 16 . 1 1 192 192 LEU H H 192 8.836 8.836 8.921 -0.085 19425 13705 1 16 . 1 1 193 193 HIS N N 193 134.195 134.195 125.134 9.061 19425 13706 1 16 . 1 1 193 193 HIS C C 193 178.766 178.766 174.465 4.301 19425 13707 1 16 . 1 1 193 193 HIS CA C 193 56.349 56.349 56.160 0.189 19425 13708 1 16 . 1 1 193 193 HIS CB C 193 31.613 31.613 31.785 -0.172 19425 13709 1 16 . 1 1 193 193 HIS H H 193 10.227 10.227 8.887 1.340 19425 13710 1 16 . 1 1 194 194 LEU N N 194 128.500 128.500 126.872 1.628 19425 13711 1 16 . 1 1 194 194 LEU C C 194 170.268 170.268 175.084 -4.816 19425 13712 1 16 . 1 1 194 194 LEU CA C 194 54.139 54.139 54.027 0.112 19425 13713 1 16 . 1 1 194 194 LEU CB C 194 44.036 44.036 43.406 0.630 19425 13714 1 16 . 1 1 194 194 LEU H H 194 7.784 7.784 7.681 0.103 19425 13715 1 16 . 1 1 195 195 SER N N 195 122.195 122.195 122.357 -0.162 19425 13716 1 16 . 1 1 195 195 SER C C 195 174.740 174.740 173.181 1.559 19425 13717 1 16 . 1 1 195 195 SER CA C 195 56.814 56.814 56.824 -0.010 19425 13718 1 16 . 1 1 195 195 SER CB C 195 66.260 66.260 65.727 0.533 19425 13719 1 16 . 1 1 195 195 SER H H 195 9.042 9.042 8.999 0.043 19425 13720 1 16 . 1 1 196 196 TYR N N 196 124.809 124.809 127.887 -3.078 19425 13721 1 16 . 1 1 196 196 TYR C C 196 172.439 172.439 175.478 -3.039 19425 13722 1 16 . 1 1 196 196 TYR CA C 196 57.019 57.019 56.548 0.471 19425 13723 1 16 . 1 1 196 196 TYR CB C 196 39.817 39.817 38.501 1.316 19425 13724 1 16 . 1 1 196 196 TYR H H 196 8.657 8.657 8.844 -0.187 19425 13725 1 16 . 1 1 197 197 GLY N N 197 114.111 114.111 115.167 -1.056 19425 13726 1 16 . 1 1 197 197 GLY C C 197 176.113 176.113 174.173 1.940 19425 13727 1 16 . 1 1 197 197 GLY CA C 197 45.492 45.492 44.190 1.302 19425 13728 1 16 . 1 1 197 197 GLY H H 197 8.030 8.030 8.159 -0.129 19425 13729 1 16 . 1 1 200 200 SER N N 200 113.158 113.158 116.046 -2.888 19425 13730 1 16 . 1 1 200 200 SER C C 200 172.661 172.661 171.937 0.724 19425 13731 1 16 . 1 1 200 200 SER CA C 200 56.890 56.890 57.445 -0.555 19425 13732 1 16 . 1 1 200 200 SER CB C 200 65.522 65.522 64.827 0.695 19425 13733 1 16 . 1 1 200 200 SER H H 200 6.893 6.893 7.350 -0.457 19425 13734 1 16 . 1 1 201 201 TRP N N 201 122.521 122.521 120.482 2.039 19425 13735 1 16 . 1 1 201 201 TRP C C 201 171.813 171.813 175.810 -3.997 19425 13736 1 16 . 1 1 201 201 TRP CA C 201 56.990 56.990 56.072 0.918 19425 13737 1 16 . 1 1 201 201 TRP CB C 201 31.501 31.501 31.835 -0.334 19425 13738 1 16 . 1 1 201 201 TRP H H 201 8.243 8.243 8.246 -0.003 19425 13739 1 16 . 1 1 202 202 HIS N N 202 121.171 121.171 118.399 2.772 19425 13740 1 16 . 1 1 202 202 HIS C C 202 173.805 173.805 173.230 0.575 19425 13741 1 16 . 1 1 202 202 HIS CA C 202 55.169 55.169 55.013 0.156 19425 13742 1 16 . 1 1 202 202 HIS CB C 202 32.254 32.254 34.584 -2.329 19425 13743 1 16 . 1 1 202 202 HIS H H 202 9.383 9.383 9.472 -0.089 19425 13744 1 16 . 1 1 203 203 VAL N N 203 119.943 119.943 120.792 -0.849 19425 13745 1 16 . 1 1 203 203 VAL C C 203 172.439 172.439 174.136 -1.697 19425 13746 1 16 . 1 1 203 203 VAL CA C 203 58.683 58.683 59.715 -1.032 19425 13747 1 16 . 1 1 203 203 VAL CB C 203 33.957 33.957 34.236 -0.279 19425 13748 1 16 . 1 1 203 203 VAL H H 203 8.649 8.649 8.885 -0.236 19425 13749 1 16 . 1 1 204 204 ASP N N 204 127.907 127.907 126.792 1.115 19425 13750 1 16 . 1 1 204 204 ASP C C 204 173.162 173.162 173.740 -0.578 19425 13751 1 16 . 1 1 204 204 ASP CA C 204 53.545 53.545 52.688 0.857 19425 13752 1 16 . 1 1 204 204 ASP CB C 204 42.169 42.169 44.402 -2.233 19425 13753 1 16 . 1 1 204 204 ASP H H 204 9.822 9.822 8.914 0.908 19425 13754 1 16 . 1 1 205 205 ALA N N 205 121.047 121.047 121.045 0.002 19425 13755 1 16 . 1 1 205 205 ALA C C 205 172.754 172.754 176.271 -3.517 19425 13756 1 16 . 1 1 205 205 ALA CA C 205 50.147 50.147 50.531 -0.384 19425 13757 1 16 . 1 1 205 205 ALA CB C 205 19.642 19.642 19.462 0.180 19425 13758 1 16 . 1 1 205 205 ALA H H 205 9.176 9.176 8.377 0.799 19425 13759 1 16 . 1 1 206 206 ALA N N 206 127.318 127.318 126.238 1.080 19425 13760 1 16 . 1 1 206 206 ALA C C 206 176.465 176.465 175.913 0.552 19425 13761 1 16 . 1 1 206 206 ALA CA C 206 50.609 50.609 50.296 0.313 19425 13762 1 16 . 1 1 206 206 ALA CB C 206 23.819 23.819 21.781 2.038 19425 13763 1 16 . 1 1 206 206 ALA H H 206 9.088 9.088 8.004 1.084 19425 13764 1 16 . 1 1 207 207 PHE N N 207 117.878 117.878 117.034 0.844 19425 13765 1 16 . 1 1 207 207 PHE C C 207 176.576 176.576 175.721 0.855 19425 13766 1 16 . 1 1 207 207 PHE CA C 207 59.714 59.714 58.703 1.011 19425 13767 1 16 . 1 1 207 207 PHE CB C 207 38.239 38.239 38.850 -0.611 19425 13768 1 16 . 1 1 207 207 PHE H H 207 8.953 8.953 8.428 0.525 19425 13769 1 16 . 1 1 208 208 GLN N N 208 117.531 117.531 117.136 0.395 19425 13770 1 16 . 1 1 208 208 GLN C C 208 175.166 175.166 175.522 -0.356 19425 13771 1 16 . 1 1 208 208 GLN CA C 208 55.096 55.096 53.971 1.125 19425 13772 1 16 . 1 1 208 208 GLN CB C 208 30.437 30.437 30.263 0.174 19425 13773 1 16 . 1 1 208 208 GLN H H 208 6.613 6.613 7.764 -1.151 19425 13774 1 16 . 1 1 209 209 GLN N N 209 117.318 117.318 122.188 -4.870 19425 13775 1 16 . 1 1 209 209 GLN C C 209 173.162 173.162 175.701 -2.539 19425 13776 1 16 . 1 1 209 209 GLN CA C 209 56.217 56.217 56.931 -0.714 19425 13777 1 16 . 1 1 209 209 GLN CB C 209 29.912 29.912 29.390 0.522 19425 13778 1 16 . 1 1 209 209 GLN H H 209 8.108 8.108 8.286 -0.178 19425 13779 1 16 . 1 1 210 210 THR N N 210 116.616 116.616 113.678 2.938 19425 13780 1 16 . 1 1 210 210 THR C C 210 176.150 176.150 172.806 3.344 19425 13781 1 16 . 1 1 210 210 THR CA C 210 62.848 62.848 61.994 0.854 19425 13782 1 16 . 1 1 210 210 THR CB C 210 73.244 73.244 70.643 2.601 19425 13783 1 16 . 1 1 210 210 THR H H 210 6.641 6.641 8.329 -1.688 19425 13784 1 16 . 1 1 211 211 LEU N N 211 126.776 126.776 127.290 -0.514 19425 13785 1 16 . 1 1 211 211 LEU C C 211 171.418 171.418 175.706 -4.288 19425 13786 1 16 . 1 1 211 211 LEU CA C 211 55.012 55.012 54.847 0.165 19425 13787 1 16 . 1 1 211 211 LEU CB C 211 41.627 41.627 42.328 -0.701 19425 13788 1 16 . 1 1 211 211 LEU H H 211 8.418 8.418 8.394 0.024 19425 13789 1 16 . 1 1 212 212 TRP N N 212 124.678 124.678 124.384 0.294 19425 13790 1 16 . 1 1 212 212 TRP C C 212 175.742 175.742 175.780 -0.038 19425 13791 1 16 . 1 1 212 212 TRP CA C 212 56.052 56.052 55.683 0.369 19425 13792 1 16 . 1 1 212 212 TRP CB C 212 31.169 31.169 33.022 -1.853 19425 13793 1 16 . 1 1 212 212 TRP H H 212 9.462 9.462 9.211 0.251 19425 13794 1 16 . 1 1 213 213 SER N N 213 118.197 118.197 116.439 1.758 19425 13795 1 16 . 1 1 213 213 SER C C 213 175.575 175.575 174.154 1.421 19425 13796 1 16 . 1 1 213 213 SER CA C 213 57.141 57.141 55.868 1.273 19425 13797 1 16 . 1 1 213 213 SER CB C 213 64.800 64.800 63.110 1.690 19425 13798 1 16 . 1 1 213 213 SER H H 213 9.642 9.642 9.375 0.267 19425 13799 1 16 . 1 1 214 214 VAL N N 214 125.581 125.581 130.359 -4.778 19425 13800 1 16 . 1 1 214 214 VAL C C 214 174.183 174.183 174.733 -0.550 19425 13801 1 16 . 1 1 214 214 VAL CA C 214 61.398 61.398 61.895 -0.497 19425 13802 1 16 . 1 1 214 214 VAL CB C 214 32.502 32.502 31.637 0.865 19425 13803 1 16 . 1 1 214 214 VAL H H 214 8.433 8.433 8.581 -0.148 19425 13804 1 16 . 1 1 215 215 ALA N N 215 130.074 130.074 131.450 -1.376 19425 13805 1 16 . 1 1 215 215 ALA C C 215 174.647 174.647 174.537 0.110 19425 13806 1 16 . 1 1 215 215 ALA CA C 215 49.058 49.058 48.379 0.679 19425 13807 1 16 . 1 1 215 215 ALA CB C 215 20.299 20.299 20.669 -0.370 19425 13808 1 16 . 1 1 215 215 ALA H H 215 8.572 8.572 8.462 0.110 19425 13809 1 17 . 1 1 13 13 PHE N N 13 122.001 122.001 119.913 2.088 19425 13810 1 17 . 1 1 13 13 PHE C C 13 174.608 174.608 175.904 -1.296 19425 13811 1 17 . 1 1 13 13 PHE CA C 13 56.445 56.445 56.245 0.200 19425 13812 1 17 . 1 1 13 13 PHE CB C 13 41.650 41.650 41.894 -0.244 19425 13813 1 17 . 1 1 13 13 PHE H H 13 8.209 8.209 8.291 -0.082 19425 13814 1 17 . 1 1 14 14 LEU N N 14 122.475 122.475 123.684 -1.209 19425 13815 1 17 . 1 1 14 14 LEU C C 14 175.630 175.630 175.965 -0.335 19425 13816 1 17 . 1 1 14 14 LEU CA C 14 55.024 55.024 54.886 0.137 19425 13817 1 17 . 1 1 14 14 LEU CB C 14 43.987 43.987 42.036 1.951 19425 13818 1 17 . 1 1 14 14 LEU H H 14 8.264 8.264 9.028 -0.764 19425 13819 1 17 . 1 1 15 15 ARG N N 15 121.510 121.510 122.961 -1.451 19425 13820 1 17 . 1 1 15 15 ARG C C 15 175.630 175.630 177.273 -1.643 19425 13821 1 17 . 1 1 15 15 ARG CA C 15 54.007 54.007 52.867 1.140 19425 13822 1 17 . 1 1 15 15 ARG CB C 15 34.536 34.536 32.937 1.599 19425 13823 1 17 . 1 1 15 15 ARG H H 15 8.653 8.653 8.222 0.431 19425 13824 1 17 . 1 1 16 16 THR N N 16 110.840 110.840 113.750 -2.910 19425 13825 1 17 . 1 1 16 16 THR C C 16 175.946 175.946 175.272 0.674 19425 13826 1 17 . 1 1 16 16 THR CA C 16 62.950 62.950 62.975 -0.025 19425 13827 1 17 . 1 1 16 16 THR CB C 16 69.276 69.276 69.261 0.015 19425 13828 1 17 . 1 1 16 16 THR H H 16 8.815 8.815 8.507 0.308 19425 13829 1 17 . 1 1 17 17 ASP N N 17 114.036 114.036 116.966 -2.930 19425 13830 1 17 . 1 1 17 17 ASP C C 17 175.686 175.686 174.927 0.759 19425 13831 1 17 . 1 1 17 17 ASP CA C 17 57.735 57.735 57.288 0.447 19425 13832 1 17 . 1 1 17 17 ASP CB C 17 39.928 39.928 40.279 -0.351 19425 13833 1 17 . 1 1 17 17 ASP H H 17 9.241 9.241 8.916 0.325 19425 13834 1 17 . 1 1 18 18 ASP N N 18 122.062 122.062 120.962 1.100 19425 13835 1 17 . 1 1 18 18 ASP C C 18 175.946 175.946 175.879 0.067 19425 13836 1 17 . 1 1 18 18 ASP CA C 18 56.214 56.214 54.788 1.426 19425 13837 1 17 . 1 1 18 18 ASP CB C 18 40.985 40.985 41.574 -0.589 19425 13838 1 17 . 1 1 18 18 ASP H H 18 8.035 8.035 7.644 0.391 19425 13839 1 17 . 1 1 19 19 GLU N N 19 122.006 122.006 124.194 -2.188 19425 13840 1 17 . 1 1 19 19 GLU C C 19 175.055 175.055 176.440 -1.385 19425 13841 1 17 . 1 1 19 19 GLU CA C 19 55.262 55.262 56.416 -1.154 19425 13842 1 17 . 1 1 19 19 GLU CB C 19 30.712 30.712 30.454 0.258 19425 13843 1 17 . 1 1 19 19 GLU H H 19 8.274 8.274 8.655 -0.381 19425 13844 1 17 . 1 1 20 20 VAL N N 20 118.214 118.214 120.188 -1.974 19425 13845 1 17 . 1 1 20 20 VAL C C 20 176.855 176.855 173.737 3.118 19425 13846 1 17 . 1 1 20 20 VAL CA C 20 59.054 59.054 58.885 0.169 19425 13847 1 17 . 1 1 20 20 VAL CB C 20 36.780 36.780 36.353 0.427 19425 13848 1 17 . 1 1 20 20 VAL H H 20 9.779 9.779 9.198 0.581 19425 13849 1 17 . 1 1 21 21 VAL N N 21 115.443 115.443 113.991 1.452 19425 13850 1 17 . 1 1 21 21 VAL C C 21 173.830 173.830 174.255 -0.425 19425 13851 1 17 . 1 1 21 21 VAL CA C 21 60.308 60.308 59.523 0.785 19425 13852 1 17 . 1 1 21 21 VAL CB C 21 34.625 34.625 35.158 -0.534 19425 13853 1 17 . 1 1 21 21 VAL H H 21 8.167 8.167 8.431 -0.264 19425 13854 1 17 . 1 1 22 22 LEU N N 22 128.072 128.072 127.275 0.797 19425 13855 1 17 . 1 1 22 22 LEU C C 22 174.858 174.858 176.018 -1.160 19425 13856 1 17 . 1 1 22 22 LEU CA C 22 55.656 55.656 54.318 1.338 19425 13857 1 17 . 1 1 22 22 LEU CB C 22 42.545 42.545 42.235 0.310 19425 13858 1 17 . 1 1 22 22 LEU H H 22 10.103 10.103 8.919 1.184 19425 13859 1 17 . 1 1 23 23 GLN N N 23 120.609 120.609 123.175 -2.566 19425 13860 1 17 . 1 1 23 23 GLN C C 23 175.500 175.500 175.259 0.241 19425 13861 1 17 . 1 1 23 23 GLN CA C 23 53.710 53.710 54.092 -0.382 19425 13862 1 17 . 1 1 23 23 GLN CB C 23 33.697 33.697 33.131 0.566 19425 13863 1 17 . 1 1 23 23 GLN H H 23 9.119 9.119 8.694 0.425 19425 13864 1 17 . 1 1 24 24 CYS N N 24 118.659 118.659 118.701 -0.042 19425 13865 1 17 . 1 1 24 24 CYS C C 24 174.443 174.443 173.759 0.684 19425 13866 1 17 . 1 1 24 24 CYS CA C 24 55.261 55.261 56.069 -0.808 19425 13867 1 17 . 1 1 24 24 CYS CB C 24 30.302 30.302 30.921 -0.619 19425 13868 1 17 . 1 1 24 24 CYS H H 24 8.993 8.993 9.163 -0.170 19425 13869 1 17 . 1 1 25 25 THR N N 25 116.266 116.266 120.155 -3.889 19425 13870 1 17 . 1 1 25 25 THR C C 25 172.457 172.457 173.916 -1.459 19425 13871 1 17 . 1 1 25 25 THR CA C 25 61.858 61.858 63.378 -1.520 19425 13872 1 17 . 1 1 25 25 THR CB C 25 70.271 70.271 68.944 1.327 19425 13873 1 17 . 1 1 25 25 THR H H 25 8.480 8.480 8.626 -0.146 19425 13874 1 17 . 1 1 26 26 ALA N N 26 129.739 129.739 131.159 -1.420 19425 13875 1 17 . 1 1 26 26 ALA C C 26 172.717 172.717 175.172 -2.455 19425 13876 1 17 . 1 1 26 26 ALA CA C 26 50.642 50.642 49.899 0.743 19425 13877 1 17 . 1 1 26 26 ALA CB C 26 21.315 21.315 19.804 1.511 19425 13878 1 17 . 1 1 26 26 ALA H H 26 8.590 8.590 8.676 -0.086 19425 13879 1 17 . 1 1 27 27 THR N N 27 116.574 116.574 119.086 -2.512 19425 13880 1 17 . 1 1 27 27 THR C C 27 173.181 173.181 173.747 -0.566 19425 13881 1 17 . 1 1 27 27 THR CA C 27 61.919 61.919 61.370 0.549 19425 13882 1 17 . 1 1 27 27 THR CB C 27 69.696 69.696 70.677 -0.981 19425 13883 1 17 . 1 1 27 27 THR H H 27 8.110 8.110 8.285 -0.175 19425 13884 1 17 . 1 1 28 28 ILE N N 28 126.342 126.342 125.569 0.773 19425 13885 1 17 . 1 1 28 28 ILE C C 28 173.793 173.793 174.566 -0.773 19425 13886 1 17 . 1 1 28 28 ILE CA C 28 60.407 60.407 61.251 -0.844 19425 13887 1 17 . 1 1 28 28 ILE CB C 28 39.536 39.536 40.638 -1.102 19425 13888 1 17 . 1 1 28 28 ILE H H 28 8.483 8.483 8.931 -0.448 19425 13889 1 17 . 1 1 29 29 HIS N N 29 126.364 126.364 124.502 1.862 19425 13890 1 17 . 1 1 29 29 HIS C C 29 175.259 175.259 174.191 1.068 19425 13891 1 17 . 1 1 29 29 HIS CA C 29 57.174 57.174 57.115 0.059 19425 13892 1 17 . 1 1 29 29 HIS CB C 29 28.029 28.029 28.204 -0.175 19425 13893 1 17 . 1 1 29 29 HIS H H 29 9.110 9.110 8.427 0.683 19425 13894 1 17 . 1 1 31 31 GLU N N 31 120.962 120.962 118.980 1.982 19425 13895 1 17 . 1 1 31 31 GLU C C 31 175.575 175.575 174.345 1.230 19425 13896 1 17 . 1 1 31 31 GLU CA C 31 55.394 55.394 55.102 0.292 19425 13897 1 17 . 1 1 31 31 GLU CB C 31 31.576 31.576 33.019 -1.443 19425 13898 1 17 . 1 1 31 31 GLU H H 31 8.047 8.047 7.721 0.326 19425 13899 1 17 . 1 1 32 32 GLN N N 32 123.171 123.171 124.109 -0.938 19425 13900 1 17 . 1 1 32 32 GLN C C 32 175.185 175.185 174.129 1.056 19425 13901 1 17 . 1 1 32 32 GLN CA C 32 54.496 54.496 54.339 0.157 19425 13902 1 17 . 1 1 32 32 GLN CB C 32 30.054 30.054 31.978 -1.924 19425 13903 1 17 . 1 1 32 32 GLN H H 32 8.646 8.646 8.683 -0.037 19425 13904 1 17 . 1 1 33 33 GLN N N 33 123.530 123.530 120.588 2.942 19425 13905 1 17 . 1 1 33 33 GLN C C 33 175.667 175.667 173.538 2.129 19425 13906 1 17 . 1 1 33 33 GLN CA C 33 54.616 54.616 54.828 -0.212 19425 13907 1 17 . 1 1 33 33 GLN CB C 33 31.748 31.748 32.439 -0.691 19425 13908 1 17 . 1 1 33 33 GLN H H 33 8.839 8.839 8.722 0.117 19425 13909 1 17 . 1 1 34 34 LYS N N 34 124.601 124.601 120.790 3.811 19425 13910 1 17 . 1 1 34 34 LYS C C 34 173.812 173.812 174.869 -1.057 19425 13911 1 17 . 1 1 34 34 LYS CA C 34 55.755 55.755 55.163 0.592 19425 13912 1 17 . 1 1 34 34 LYS CB C 34 32.712 32.712 35.536 -2.825 19425 13913 1 17 . 1 1 34 34 LYS H H 34 8.589 8.589 8.579 0.010 19425 13914 1 17 . 1 1 35 35 LEU N N 35 126.071 126.071 122.189 3.882 19425 13915 1 17 . 1 1 35 35 LEU C C 35 175.445 175.445 175.854 -0.409 19425 13916 1 17 . 1 1 35 35 LEU CA C 35 53.347 53.347 52.797 0.550 19425 13917 1 17 . 1 1 35 35 LEU CB C 35 44.943 44.943 46.013 -1.070 19425 13918 1 17 . 1 1 35 35 LEU H H 35 8.794 8.794 8.406 0.388 19425 13919 1 17 . 1 1 36 36 CYS N N 36 118.373 118.373 118.633 -0.260 19425 13920 1 17 . 1 1 36 36 CYS C C 36 176.057 176.057 175.359 0.698 19425 13921 1 17 . 1 1 36 36 CYS CA C 36 57.174 57.174 55.335 1.839 19425 13922 1 17 . 1 1 36 36 CYS CB C 36 30.306 30.306 29.006 1.300 19425 13923 1 17 . 1 1 36 36 CYS H H 36 9.042 9.042 9.053 -0.011 19425 13924 1 17 . 1 1 37 37 LEU N N 37 129.256 129.256 125.870 3.386 19425 13925 1 17 . 1 1 37 37 LEU C C 37 174.090 174.090 175.322 -1.232 19425 13926 1 17 . 1 1 37 37 LEU CA C 37 56.349 56.349 55.522 0.827 19425 13927 1 17 . 1 1 37 37 LEU CB C 37 42.689 42.689 41.879 0.810 19425 13928 1 17 . 1 1 37 37 LEU H H 37 8.811 8.811 8.867 -0.056 19425 13929 1 17 . 1 1 38 38 ALA N N 38 127.229 127.229 128.450 -1.221 19425 13930 1 17 . 1 1 38 38 ALA C C 38 174.517 174.517 175.143 -0.626 19425 13931 1 17 . 1 1 38 38 ALA CA C 38 50.609 50.609 49.488 1.121 19425 13932 1 17 . 1 1 38 38 ALA CB C 38 24.141 24.141 22.153 1.988 19425 13933 1 17 . 1 1 38 38 ALA H H 38 8.879 8.879 8.529 0.350 19425 13934 1 17 . 1 1 39 39 ALA N N 39 117.076 117.076 120.163 -3.087 19425 13935 1 17 . 1 1 39 39 ALA C C 39 174.665 174.665 174.723 -0.058 19425 13936 1 17 . 1 1 39 39 ALA CA C 39 51.500 51.500 51.721 -0.221 19425 13937 1 17 . 1 1 39 39 ALA CB C 39 20.996 20.996 21.479 -0.482 19425 13938 1 17 . 1 1 39 39 ALA H H 39 6.837 6.837 7.699 -0.862 19425 13939 1 17 . 1 1 40 40 GLU N N 40 119.966 119.966 118.898 1.068 19425 13940 1 17 . 1 1 40 40 GLU C C 40 176.205 176.205 176.271 -0.066 19425 13941 1 17 . 1 1 40 40 GLU CA C 40 55.950 55.950 54.984 0.966 19425 13942 1 17 . 1 1 40 40 GLU CB C 40 31.836 31.836 32.484 -0.648 19425 13943 1 17 . 1 1 40 40 GLU H H 40 8.413 8.413 8.642 -0.229 19425 13944 1 17 . 1 1 41 41 GLY N N 41 108.646 108.646 109.666 -1.020 19425 13945 1 17 . 1 1 41 41 GLY C C 41 176.892 176.892 173.759 3.133 19425 13946 1 17 . 1 1 41 41 GLY CA C 41 45.628 45.628 45.238 0.390 19425 13947 1 17 . 1 1 41 41 GLY H H 41 8.463 8.463 9.006 -0.543 19425 13948 1 17 . 1 1 43 43 GLY N N 43 109.557 109.557 114.436 -4.879 19425 13949 1 17 . 1 1 43 43 GLY C C 43 176.465 176.465 174.305 2.160 19425 13950 1 17 . 1 1 43 43 GLY CA C 43 45.397 45.397 45.656 -0.259 19425 13951 1 17 . 1 1 43 43 GLY H H 43 8.510 8.510 7.777 0.733 19425 13952 1 17 . 1 1 44 44 ASN N N 44 116.850 116.850 123.183 -6.333 19425 13953 1 17 . 1 1 44 44 ASN C C 44 173.830 173.830 174.975 -1.145 19425 13954 1 17 . 1 1 44 44 ASN CA C 44 54.184 54.184 52.038 2.146 19425 13955 1 17 . 1 1 44 44 ASN CB C 44 38.252 38.252 38.865 -0.614 19425 13956 1 17 . 1 1 44 44 ASN H H 44 8.028 8.028 8.632 -0.604 19425 13957 1 17 . 1 1 45 45 ARG N N 45 118.226 118.226 116.692 1.534 19425 13958 1 17 . 1 1 45 45 ARG C C 45 174.072 174.072 174.367 -0.295 19425 13959 1 17 . 1 1 45 45 ARG CA C 45 56.077 56.077 57.212 -1.135 19425 13960 1 17 . 1 1 45 45 ARG CB C 45 31.231 31.231 27.263 3.968 19425 13961 1 17 . 1 1 45 45 ARG H H 45 7.759 7.759 7.484 0.275 19425 13962 1 17 . 1 1 46 46 LEU N N 46 124.643 124.643 119.205 5.438 19425 13963 1 17 . 1 1 46 46 LEU C C 46 176.447 176.447 176.938 -0.491 19425 13964 1 17 . 1 1 46 46 LEU CA C 46 54.667 54.667 53.938 0.729 19425 13965 1 17 . 1 1 46 46 LEU CB C 46 42.605 42.605 43.185 -0.580 19425 13966 1 17 . 1 1 46 46 LEU H H 46 8.695 8.695 7.725 0.970 19425 13967 1 17 . 1 1 47 47 CYS N N 47 119.241 119.241 121.343 -2.102 19425 13968 1 17 . 1 1 47 47 CYS C C 47 176.651 176.651 175.004 1.647 19425 13969 1 17 . 1 1 47 47 CYS CA C 47 55.885 55.885 59.360 -3.475 19425 13970 1 17 . 1 1 47 47 CYS CB C 47 31.112 31.112 26.774 4.338 19425 13971 1 17 . 1 1 47 47 CYS H H 47 9.007 9.007 8.524 0.483 19425 13972 1 17 . 1 1 48 48 PHE N N 48 114.081 114.081 118.529 -4.448 19425 13973 1 17 . 1 1 48 48 PHE C C 48 170.342 170.342 173.083 -2.741 19425 13974 1 17 . 1 1 48 48 PHE CA C 48 57.405 57.405 55.827 1.578 19425 13975 1 17 . 1 1 48 48 PHE CB C 48 43.263 43.263 40.316 2.947 19425 13976 1 17 . 1 1 48 48 PHE H H 48 8.647 8.647 8.578 0.069 19425 13977 1 17 . 1 1 49 49 LEU N N 49 122.287 122.287 119.062 3.225 19425 13978 1 17 . 1 1 49 49 LEU C C 49 176.236 176.236 176.037 0.199 19425 13979 1 17 . 1 1 49 49 LEU CA C 49 53.285 53.285 53.786 -0.501 19425 13980 1 17 . 1 1 49 49 LEU CB C 49 42.907 42.907 45.609 -2.702 19425 13981 1 17 . 1 1 49 49 LEU H H 49 9.108 9.108 8.850 0.258 19425 13982 1 17 . 1 1 50 50 GLU N N 50 123.206 123.206 122.275 0.931 19425 13983 1 17 . 1 1 50 50 GLU C C 50 177.671 177.671 175.268 2.403 19425 13984 1 17 . 1 1 50 50 GLU CA C 50 57.084 57.084 54.831 2.253 19425 13985 1 17 . 1 1 50 50 GLU CB C 50 30.123 30.123 33.349 -3.226 19425 13986 1 17 . 1 1 50 50 GLU H H 50 8.834 8.834 8.584 0.250 19425 13987 1 17 . 1 1 51 51 SER N N 51 118.500 118.500 119.867 -1.367 19425 13988 1 17 . 1 1 51 51 SER C C 51 176.706 176.706 174.772 1.934 19425 13989 1 17 . 1 1 51 51 SER CA C 51 58.560 58.560 58.000 0.560 19425 13990 1 17 . 1 1 51 51 SER CB C 51 63.979 63.979 64.296 -0.317 19425 13991 1 17 . 1 1 51 51 SER H H 51 8.461 8.461 8.898 -0.437 19425 13992 1 17 . 1 1 52 52 THR N N 52 116.205 116.205 117.828 -1.623 19425 13993 1 17 . 1 1 52 52 THR C C 52 174.808 174.808 174.739 0.069 19425 13994 1 17 . 1 1 52 52 THR CA C 52 61.891 61.891 60.900 0.991 19425 13995 1 17 . 1 1 52 52 THR CB C 52 70.076 70.076 69.850 0.225 19425 13996 1 17 . 1 1 52 52 THR H H 52 8.199 8.199 8.208 -0.009 19425 13997 1 17 . 1 1 65 65 CYS N N 65 117.553 117.553 119.784 -2.231 19425 13998 1 17 . 1 1 65 65 CYS C C 65 176.948 176.948 174.102 2.846 19425 13999 1 17 . 1 1 65 65 CYS CA C 65 57.900 57.900 57.393 0.507 19425 14000 1 17 . 1 1 65 65 CYS CB C 65 30.290 30.290 26.318 3.972 19425 14001 1 17 . 1 1 65 65 CYS H H 65 7.539 7.539 7.591 -0.052 19425 14002 1 17 . 1 1 66 66 THR N N 66 113.614 113.614 118.151 -4.537 19425 14003 1 17 . 1 1 66 66 THR C C 66 180.325 180.325 173.396 6.929 19425 14004 1 17 . 1 1 66 66 THR CA C 66 63.399 63.399 63.361 0.038 19425 14005 1 17 . 1 1 66 66 THR CB C 66 69.281 69.281 69.384 -0.103 19425 14006 1 17 . 1 1 66 66 THR H H 66 6.851 6.851 7.349 -0.498 19425 14007 1 17 . 1 1 67 67 PHE N N 67 126.248 126.248 125.764 0.484 19425 14008 1 17 . 1 1 67 67 PHE C C 67 174.424 174.424 173.959 0.465 19425 14009 1 17 . 1 1 67 67 PHE CA C 67 56.184 56.184 56.897 -0.713 19425 14010 1 17 . 1 1 67 67 PHE CB C 67 43.291 43.291 44.235 -0.944 19425 14011 1 17 . 1 1 67 67 PHE H H 67 9.603 9.603 9.342 0.261 19425 14012 1 17 . 1 1 68 68 VAL N N 68 121.310 121.310 119.382 1.928 19425 14013 1 17 . 1 1 68 68 VAL C C 68 173.719 173.719 175.605 -1.886 19425 14014 1 17 . 1 1 68 68 VAL CA C 68 60.935 60.935 61.049 -0.114 19425 14015 1 17 . 1 1 68 68 VAL CB C 68 34.522 34.522 33.770 0.751 19425 14016 1 17 . 1 1 68 68 VAL H H 68 9.968 9.968 8.678 1.290 19425 14017 1 17 . 1 1 69 69 LEU N N 69 127.011 127.011 129.079 -2.068 19425 14018 1 17 . 1 1 69 69 LEU C C 69 177.152 177.152 177.816 -0.664 19425 14019 1 17 . 1 1 69 69 LEU CA C 69 53.083 53.083 54.658 -1.575 19425 14020 1 17 . 1 1 69 69 LEU CB C 69 39.652 39.652 39.316 0.336 19425 14021 1 17 . 1 1 69 69 LEU H H 69 8.135 8.135 8.575 -0.440 19425 14022 1 17 . 1 1 70 70 GLU N N 70 129.683 129.683 122.071 7.612 19425 14023 1 17 . 1 1 70 70 GLU C C 70 174.869 174.869 176.975 -2.106 19425 14024 1 17 . 1 1 70 70 GLU CA C 70 59.747 59.747 59.184 0.563 19425 14025 1 17 . 1 1 70 70 GLU CB C 70 31.291 31.291 29.942 1.349 19425 14026 1 17 . 1 1 70 70 GLU H H 70 8.654 8.654 8.360 0.294 19425 14027 1 17 . 1 1 71 71 GLN N N 71 110.287 110.287 117.018 -6.731 19425 14028 1 17 . 1 1 71 71 GLN C C 71 176.094 176.094 174.953 1.141 19425 14029 1 17 . 1 1 71 71 GLN CA C 71 54.030 54.030 54.550 -0.520 19425 14030 1 17 . 1 1 71 71 GLN CB C 71 33.112 33.112 32.676 0.436 19425 14031 1 17 . 1 1 71 71 GLN H H 71 7.318 7.318 7.600 -0.282 19425 14032 1 17 . 1 1 72 72 SER N N 72 116.205 116.205 115.202 1.003 19425 14033 1 17 . 1 1 72 72 SER C C 72 174.035 174.035 173.742 0.293 19425 14034 1 17 . 1 1 72 72 SER CA C 72 58.132 58.132 58.094 0.038 19425 14035 1 17 . 1 1 72 72 SER CB C 72 64.295 64.295 64.005 0.290 19425 14036 1 17 . 1 1 72 72 SER H H 72 8.380 8.380 8.726 -0.346 19425 14037 1 17 . 1 1 73 73 LEU N N 73 127.858 127.858 124.163 3.695 19425 14038 1 17 . 1 1 73 73 LEU C C 73 173.701 173.701 175.970 -2.269 19425 14039 1 17 . 1 1 73 73 LEU CA C 73 53.347 53.347 53.182 0.165 19425 14040 1 17 . 1 1 73 73 LEU CB C 73 45.926 45.926 45.352 0.574 19425 14041 1 17 . 1 1 73 73 LEU H H 73 9.532 9.532 8.888 0.644 19425 14042 1 17 . 1 1 74 74 SER N N 74 115.724 115.724 114.986 0.738 19425 14043 1 17 . 1 1 74 74 SER C C 74 177.541 177.541 175.873 1.668 19425 14044 1 17 . 1 1 74 74 SER CA C 74 57.905 57.905 58.144 -0.239 19425 14045 1 17 . 1 1 74 74 SER CB C 74 63.901 63.901 63.875 0.026 19425 14046 1 17 . 1 1 74 74 SER H H 74 8.240 8.240 8.161 0.079 19425 14047 1 17 . 1 1 75 75 VAL N N 75 122.994 122.994 126.886 -3.892 19425 14048 1 17 . 1 1 75 75 VAL C C 75 174.610 174.610 177.280 -2.670 19425 14049 1 17 . 1 1 75 75 VAL CA C 75 67.104 67.104 66.929 0.175 19425 14050 1 17 . 1 1 75 75 VAL CB C 75 30.953 30.953 31.448 -0.495 19425 14051 1 17 . 1 1 75 75 VAL H H 75 9.056 9.056 9.020 0.036 19425 14052 1 17 . 1 1 76 76 ARG N N 76 119.193 119.193 120.235 -1.042 19425 14053 1 17 . 1 1 76 76 ARG C C 76 178.228 178.228 178.058 0.170 19425 14054 1 17 . 1 1 76 76 ARG CA C 76 59.087 59.087 60.090 -1.003 19425 14055 1 17 . 1 1 76 76 ARG CB C 76 29.280 29.280 29.965 -0.684 19425 14056 1 17 . 1 1 76 76 ARG H H 76 8.137 8.137 7.592 0.545 19425 14057 1 17 . 1 1 77 77 ALA N N 77 122.977 122.977 120.287 2.690 19425 14058 1 17 . 1 1 77 77 ALA C C 77 178.506 178.506 179.829 -1.323 19425 14059 1 17 . 1 1 77 77 ALA CA C 77 54.926 54.926 54.765 0.161 19425 14060 1 17 . 1 1 77 77 ALA CB C 77 18.231 18.231 18.137 0.094 19425 14061 1 17 . 1 1 77 77 ALA H H 77 7.699 7.699 8.140 -0.441 19425 14062 1 17 . 1 1 78 78 LEU N N 78 121.115 121.115 120.025 1.090 19425 14063 1 17 . 1 1 78 78 LEU C C 78 180.640 180.640 178.349 2.291 19425 14064 1 17 . 1 1 78 78 LEU CA C 78 57.985 57.985 57.334 0.651 19425 14065 1 17 . 1 1 78 78 LEU CB C 78 40.522 40.522 41.303 -0.781 19425 14066 1 17 . 1 1 78 78 LEU H H 78 8.303 8.303 8.306 -0.003 19425 14067 1 17 . 1 1 79 79 GLN N N 79 116.873 116.873 117.585 -0.712 19425 14068 1 17 . 1 1 79 79 GLN C C 79 177.875 177.875 178.349 -0.474 19425 14069 1 17 . 1 1 79 79 GLN CA C 79 59.069 59.069 59.161 -0.092 19425 14070 1 17 . 1 1 79 79 GLN CB C 79 27.254 27.254 28.397 -1.143 19425 14071 1 17 . 1 1 79 79 GLN H H 79 8.390 8.390 8.195 0.195 19425 14072 1 17 . 1 1 80 80 GLU N N 80 120.455 120.455 120.935 -0.480 19425 14073 1 17 . 1 1 80 80 GLU C C 80 179.749 179.749 178.846 0.903 19425 14074 1 17 . 1 1 80 80 GLU CA C 80 59.413 59.413 59.316 0.097 19425 14075 1 17 . 1 1 80 80 GLU CB C 80 29.142 29.142 29.476 -0.334 19425 14076 1 17 . 1 1 80 80 GLU H H 80 7.942 7.942 8.038 -0.096 19425 14077 1 17 . 1 1 81 81 MET N N 81 120.541 120.541 118.515 2.026 19425 14078 1 17 . 1 1 81 81 MET C C 81 178.599 178.599 178.877 -0.278 19425 14079 1 17 . 1 1 81 81 MET CA C 81 59.665 59.665 59.327 0.338 19425 14080 1 17 . 1 1 81 81 MET CB C 81 32.534 32.534 32.863 -0.329 19425 14081 1 17 . 1 1 81 81 MET H H 81 7.870 7.870 7.941 -0.071 19425 14082 1 17 . 1 1 82 82 LEU N N 82 119.662 119.662 118.786 0.876 19425 14083 1 17 . 1 1 82 82 LEU C C 82 179.638 179.638 178.570 1.068 19425 14084 1 17 . 1 1 82 82 LEU CA C 82 57.669 57.669 57.096 0.573 19425 14085 1 17 . 1 1 82 82 LEU CB C 82 40.783 40.783 41.790 -1.007 19425 14086 1 17 . 1 1 82 82 LEU H H 82 8.488 8.488 7.899 0.589 19425 14087 1 17 . 1 1 83 83 ALA N N 83 120.827 120.827 119.736 1.091 19425 14088 1 17 . 1 1 83 83 ALA C C 83 179.323 179.323 179.834 -0.511 19425 14089 1 17 . 1 1 83 83 ALA CA C 83 54.073 54.073 54.497 -0.424 19425 14090 1 17 . 1 1 83 83 ALA CB C 83 18.326 18.326 18.724 -0.398 19425 14091 1 17 . 1 1 83 83 ALA H H 83 7.704 7.704 7.919 -0.215 19425 14092 1 17 . 1 1 84 84 ASN N N 84 115.853 115.853 115.521 0.332 19425 14093 1 17 . 1 1 84 84 ASN C C 84 178.944 178.944 176.979 1.965 19425 14094 1 17 . 1 1 84 84 ASN CA C 84 54.167 54.167 55.113 -0.946 19425 14095 1 17 . 1 1 84 84 ASN CB C 84 39.465 39.465 39.084 0.381 19425 14096 1 17 . 1 1 84 84 ASN H H 84 7.729 7.729 7.960 -0.231 19425 14097 1 17 . 1 1 85 85 THR N N 85 112.611 112.611 109.991 2.620 19425 14098 1 17 . 1 1 85 85 THR C C 85 175.569 175.569 175.378 0.191 19425 14099 1 17 . 1 1 85 85 THR CA C 85 63.086 63.086 62.717 0.369 19425 14100 1 17 . 1 1 85 85 THR CB C 85 70.071 70.071 68.980 1.091 19425 14101 1 17 . 1 1 85 85 THR H H 85 7.698 7.698 7.437 0.261 19425 14102 1 17 . 1 1 86 86 VAL N N 86 121.812 121.812 119.325 2.487 19425 14103 1 17 . 1 1 86 86 VAL C C 86 174.573 174.573 176.813 -2.240 19425 14104 1 17 . 1 1 86 86 VAL CA C 86 62.811 62.811 63.764 -0.953 19425 14105 1 17 . 1 1 86 86 VAL CB C 86 32.730 32.730 32.014 0.716 19425 14106 1 17 . 1 1 86 86 VAL H H 86 7.874 7.874 7.242 0.632 19425 14107 1 17 . 1 1 87 87 GLU N N 87 124.330 124.330 119.773 4.557 19425 14108 1 17 . 1 1 87 87 GLU C C 87 176.280 176.280 175.268 1.012 19425 14109 1 17 . 1 1 87 87 GLU CA C 87 56.877 56.877 55.145 1.732 19425 14110 1 17 . 1 1 87 87 GLU CB C 87 29.852 29.852 30.561 -0.709 19425 14111 1 17 . 1 1 87 87 GLU H H 87 8.403 8.403 7.830 0.573 19425 14112 1 17 . 1 1 88 88 LYS N N 88 122.065 122.065 121.906 0.159 19425 14113 1 17 . 1 1 88 88 LYS C C 88 176.966 176.966 176.194 0.772 19425 14114 1 17 . 1 1 88 88 LYS CA C 88 56.799 56.799 57.319 -0.520 19425 14115 1 17 . 1 1 88 88 LYS CB C 88 32.597 32.597 31.924 0.673 19425 14116 1 17 . 1 1 88 88 LYS H H 88 8.330 8.330 8.450 -0.120 19425 14117 1 17 . 1 1 89 89 SER N N 89 116.192 116.192 121.859 -5.667 19425 14118 1 17 . 1 1 89 89 SER C C 89 176.865 176.865 174.536 2.329 19425 14119 1 17 . 1 1 89 89 SER CA C 89 59.008 59.008 57.411 1.597 19425 14120 1 17 . 1 1 89 89 SER CB C 89 63.765 63.765 65.057 -1.292 19425 14121 1 17 . 1 1 89 89 SER H H 89 8.247 8.247 8.539 -0.292 19425 14122 1 17 . 1 1 90 90 GLU N N 90 122.006 122.006 120.424 1.582 19425 14123 1 17 . 1 1 90 90 GLU C C 90 174.702 174.702 176.997 -2.295 19425 14124 1 17 . 1 1 90 90 GLU CA C 90 57.231 57.231 56.526 0.705 19425 14125 1 17 . 1 1 90 90 GLU CB C 90 29.442 29.442 29.787 -0.345 19425 14126 1 17 . 1 1 90 90 GLU H H 90 8.560 8.560 8.553 0.007 19425 14127 1 17 . 1 1 91 91 GLY N N 91 110.052 110.052 109.871 0.181 19425 14128 1 17 . 1 1 91 91 GLY C C 91 177.170 177.170 174.112 3.058 19425 14129 1 17 . 1 1 91 91 GLY CA C 91 45.634 45.634 45.116 0.518 19425 14130 1 17 . 1 1 91 91 GLY H H 91 8.358 8.358 8.182 0.176 19425 14131 1 17 . 1 1 92 92 GLN N N 92 120.053 120.053 118.983 1.070 19425 14132 1 17 . 1 1 92 92 GLN C C 92 173.905 173.905 176.299 -2.394 19425 14133 1 17 . 1 1 92 92 GLN CA C 92 55.261 55.261 55.277 -0.016 19425 14134 1 17 . 1 1 92 92 GLN CB C 92 29.573 29.573 30.053 -0.480 19425 14135 1 17 . 1 1 92 92 GLN H H 92 8.075 8.075 7.973 0.102 19425 14136 1 17 . 1 1 93 93 VAL N N 93 123.434 123.434 118.435 4.999 19425 14137 1 17 . 1 1 93 93 VAL C C 93 175.667 175.667 175.194 0.473 19425 14138 1 17 . 1 1 93 93 VAL CA C 93 62.914 62.914 61.362 1.552 19425 14139 1 17 . 1 1 93 93 VAL CB C 93 32.629 32.629 32.475 0.154 19425 14140 1 17 . 1 1 93 93 VAL H H 93 8.370 8.370 8.131 0.239 19425 14141 1 17 . 1 1 94 94 ASP N N 94 125.761 125.761 120.575 5.186 19425 14142 1 17 . 1 1 94 94 ASP C C 94 175.704 175.704 176.057 -0.353 19425 14143 1 17 . 1 1 94 94 ASP CA C 94 53.743 53.743 54.351 -0.608 19425 14144 1 17 . 1 1 94 94 ASP CB C 94 40.771 40.771 40.507 0.264 19425 14145 1 17 . 1 1 94 94 ASP H H 94 8.550 8.550 8.292 0.258 19425 14146 1 17 . 1 1 95 95 VAL N N 95 125.064 125.064 117.513 7.551 19425 14147 1 17 . 1 1 95 95 VAL C C 95 176.465 176.465 176.650 -0.185 19425 14148 1 17 . 1 1 95 95 VAL CA C 95 65.487 65.487 63.131 2.356 19425 14149 1 17 . 1 1 95 95 VAL CB C 95 31.773 31.773 31.503 0.270 19425 14150 1 17 . 1 1 95 95 VAL H H 95 8.300 8.300 8.047 0.253 19425 14151 1 17 . 1 1 96 96 GLU N N 96 120.880 120.880 121.582 -0.702 19425 14152 1 17 . 1 1 96 96 GLU C C 96 177.523 177.523 177.556 -0.033 19425 14153 1 17 . 1 1 96 96 GLU CA C 96 59.157 59.157 58.720 0.437 19425 14154 1 17 . 1 1 96 96 GLU CB C 96 28.575 28.575 29.356 -0.781 19425 14155 1 17 . 1 1 96 96 GLU H H 96 8.297 8.297 8.452 -0.155 19425 14156 1 17 . 1 1 97 97 LYS N N 97 121.943 121.943 118.479 3.464 19425 14157 1 17 . 1 1 97 97 LYS C C 97 179.434 179.434 178.561 0.873 19425 14158 1 17 . 1 1 97 97 LYS CA C 97 59.186 59.186 57.892 1.294 19425 14159 1 17 . 1 1 97 97 LYS CB C 97 32.036 32.036 32.381 -0.345 19425 14160 1 17 . 1 1 97 97 LYS H H 97 7.979 7.979 8.058 -0.079 19425 14161 1 17 . 1 1 98 98 TRP N N 98 121.420 121.420 120.566 0.854 19425 14162 1 17 . 1 1 98 98 TRP C C 98 178.673 178.673 178.414 0.259 19425 14163 1 17 . 1 1 98 98 TRP CA C 98 60.176 60.176 59.529 0.647 19425 14164 1 17 . 1 1 98 98 TRP CB C 98 29.340 29.340 29.011 0.329 19425 14165 1 17 . 1 1 98 98 TRP H H 98 8.202 8.202 8.243 -0.041 19425 14166 1 17 . 1 1 99 99 LYS N N 99 118.236 118.236 120.185 -1.949 19425 14167 1 17 . 1 1 99 99 LYS C C 99 177.374 177.374 178.581 -1.207 19425 14168 1 17 . 1 1 99 99 LYS CA C 99 59.812 59.812 59.612 0.200 19425 14169 1 17 . 1 1 99 99 LYS CB C 99 32.042 32.042 31.846 0.196 19425 14170 1 17 . 1 1 99 99 LYS H H 99 8.346 8.346 8.392 -0.046 19425 14171 1 17 . 1 1 100 100 PHE N N 100 120.365 120.365 119.989 0.376 19425 14172 1 17 . 1 1 100 100 PHE C C 100 179.193 179.193 177.221 1.972 19425 14173 1 17 . 1 1 100 100 PHE CA C 100 60.902 60.902 61.402 -0.500 19425 14174 1 17 . 1 1 100 100 PHE CB C 100 38.875 38.875 39.342 -0.467 19425 14175 1 17 . 1 1 100 100 PHE H H 100 7.916 7.916 7.630 0.286 19425 14176 1 17 . 1 1 101 101 MET N N 101 121.837 121.837 120.874 0.963 19425 14177 1 17 . 1 1 101 101 MET C C 101 178.172 178.172 178.389 -0.217 19425 14178 1 17 . 1 1 101 101 MET CA C 101 58.625 58.625 59.198 -0.573 19425 14179 1 17 . 1 1 101 101 MET CB C 101 32.081 32.081 32.892 -0.811 19425 14180 1 17 . 1 1 101 101 MET H H 101 8.393 8.393 8.219 0.174 19425 14181 1 17 . 1 1 102 102 MET N N 102 119.901 119.901 117.733 2.168 19425 14182 1 17 . 1 1 102 102 MET C C 102 178.655 178.655 178.401 0.254 19425 14183 1 17 . 1 1 102 102 MET CA C 102 57.867 57.867 57.563 0.304 19425 14184 1 17 . 1 1 102 102 MET CB C 102 32.414 32.414 31.503 0.911 19425 14185 1 17 . 1 1 102 102 MET H H 102 8.174 8.174 8.518 -0.344 19425 14186 1 17 . 1 1 103 103 LYS N N 103 120.555 120.555 119.890 0.665 19425 14187 1 17 . 1 1 103 103 LYS C C 103 177.857 177.857 179.385 -1.528 19425 14188 1 17 . 1 1 103 103 LYS CA C 103 58.592 58.592 60.000 -1.408 19425 14189 1 17 . 1 1 103 103 LYS CB C 103 31.816 31.816 32.282 -0.466 19425 14190 1 17 . 1 1 103 103 LYS H H 103 7.899 7.899 8.118 -0.219 19425 14191 1 17 . 1 1 104 104 THR N N 104 115.450 115.450 112.299 3.151 19425 14192 1 17 . 1 1 104 104 THR C C 104 179.267 179.267 176.149 3.118 19425 14193 1 17 . 1 1 104 104 THR CA C 104 64.914 64.914 65.315 -0.401 19425 14194 1 17 . 1 1 104 104 THR CB C 104 69.103 69.103 68.120 0.983 19425 14195 1 17 . 1 1 104 104 THR H H 104 7.895 7.895 7.987 -0.092 19425 14196 1 17 . 1 1 105 105 ALA N N 105 124.862 124.862 123.759 1.103 19425 14197 1 17 . 1 1 105 105 ALA C C 105 176.057 176.057 179.578 -3.521 19425 14198 1 17 . 1 1 105 105 ALA CA C 105 54.106 54.106 54.912 -0.806 19425 14199 1 17 . 1 1 105 105 ALA CB C 105 18.493 18.493 18.061 0.431 19425 14200 1 17 . 1 1 105 105 ALA H H 105 7.896 7.896 7.879 0.017 19425 14201 1 17 . 1 1 106 106 GLN N N 106 117.285 117.285 117.598 -0.313 19425 14202 1 17 . 1 1 106 106 GLN C C 106 178.655 178.655 178.053 0.602 19425 14203 1 17 . 1 1 106 106 GLN CA C 106 56.913 56.913 57.227 -0.314 19425 14204 1 17 . 1 1 106 106 GLN CB C 106 29.148 29.148 29.093 0.055 19425 14205 1 17 . 1 1 106 106 GLN H H 106 7.944 7.944 8.133 -0.189 19425 14206 1 17 . 1 1 107 107 GLY N N 107 107.494 107.494 107.724 -0.230 19425 14207 1 17 . 1 1 107 107 GLY C C 107 177.597 177.597 174.909 2.688 19425 14208 1 17 . 1 1 107 107 GLY CA C 107 45.975 45.975 44.915 1.060 19425 14209 1 17 . 1 1 107 107 GLY H H 107 7.852 7.852 7.868 -0.016 19425 14210 1 17 . 1 1 108 108 GLY N N 108 109.642 109.642 108.803 0.839 19425 14211 1 17 . 1 1 108 108 GLY C C 108 174.740 174.740 173.673 1.067 19425 14212 1 17 . 1 1 108 108 GLY CA C 108 45.151 45.151 45.994 -0.843 19425 14213 1 17 . 1 1 108 108 GLY H H 108 8.313 8.313 7.708 0.605 19425 14214 1 17 . 1 1 109 109 GLY N N 109 108.058 108.058 110.635 -2.577 19425 14215 1 17 . 1 1 109 109 GLY C C 109 174.313 174.313 173.744 0.569 19425 14216 1 17 . 1 1 109 109 GLY CA C 109 44.659 44.659 46.289 -1.630 19425 14217 1 17 . 1 1 109 109 GLY H H 109 8.059 8.059 8.434 -0.375 19425 14218 1 17 . 1 1 110 110 HIS N N 110 118.432 118.432 119.915 -1.483 19425 14219 1 17 . 1 1 110 110 HIS C C 110 173.348 173.348 174.236 -0.888 19425 14220 1 17 . 1 1 110 110 HIS CA C 110 55.590 55.590 56.525 -0.935 19425 14221 1 17 . 1 1 110 110 HIS CB C 110 28.502 28.502 32.909 -4.407 19425 14222 1 17 . 1 1 110 110 HIS H H 110 8.261 8.261 8.162 0.099 19425 14223 1 17 . 1 1 111 111 ARG N N 111 122.052 122.052 118.901 3.151 19425 14224 1 17 . 1 1 111 111 ARG C C 111 174.908 174.908 174.028 0.880 19425 14225 1 17 . 1 1 111 111 ARG CA C 111 55.233 55.233 54.719 0.514 19425 14226 1 17 . 1 1 111 111 ARG CB C 111 31.125 31.125 32.727 -1.602 19425 14227 1 17 . 1 1 111 111 ARG H H 111 8.597 8.597 8.317 0.280 19425 14228 1 17 . 1 1 112 112 THR N N 112 120.248 120.248 117.504 2.744 19425 14229 1 17 . 1 1 112 112 THR C C 112 176.447 176.447 174.685 1.762 19425 14230 1 17 . 1 1 112 112 THR CA C 112 63.723 63.723 63.097 0.626 19425 14231 1 17 . 1 1 112 112 THR CB C 112 68.984 68.984 69.248 -0.263 19425 14232 1 17 . 1 1 112 112 THR H H 112 8.577 8.577 8.412 0.165 19425 14233 1 17 . 1 1 113 113 LEU N N 113 130.382 130.382 126.321 4.061 19425 14234 1 17 . 1 1 113 113 LEU C C 113 174.294 174.294 175.354 -1.060 19425 14235 1 17 . 1 1 113 113 LEU CA C 113 56.791 56.791 54.571 2.220 19425 14236 1 17 . 1 1 113 113 LEU CB C 113 41.705 41.705 42.809 -1.104 19425 14237 1 17 . 1 1 113 113 LEU H H 113 8.515 8.515 8.827 -0.312 19425 14238 1 17 . 1 1 114 114 LEU N N 114 118.829 118.829 122.056 -3.227 19425 14239 1 17 . 1 1 114 114 LEU C C 114 175.278 175.278 176.683 -1.405 19425 14240 1 17 . 1 1 114 114 LEU CA C 114 51.667 51.667 52.597 -0.930 19425 14241 1 17 . 1 1 114 114 LEU CB C 114 42.454 42.454 44.447 -1.993 19425 14242 1 17 . 1 1 114 114 LEU H H 114 6.454 6.454 7.999 -1.545 19425 14243 1 17 . 1 1 115 115 TYR N N 115 119.059 119.059 121.282 -2.223 19425 14244 1 17 . 1 1 115 115 TYR C C 115 177.152 177.152 177.326 -0.174 19425 14245 1 17 . 1 1 115 115 TYR CA C 115 62.452 62.452 60.581 1.871 19425 14246 1 17 . 1 1 115 115 TYR CB C 115 38.058 38.058 37.958 0.100 19425 14247 1 17 . 1 1 115 115 TYR H H 115 8.797 8.797 8.750 0.047 19425 14248 1 17 . 1 1 116 116 GLY N N 116 115.795 115.795 113.414 2.381 19425 14249 1 17 . 1 1 116 116 GLY C C 116 178.061 178.061 173.903 4.158 19425 14250 1 17 . 1 1 116 116 GLY CA C 116 45.100 45.100 45.084 0.016 19425 14251 1 17 . 1 1 116 116 GLY H H 116 9.672 9.672 9.149 0.523 19425 14252 1 17 . 1 1 117 117 HIS N N 117 122.193 122.193 121.601 0.592 19425 14253 1 17 . 1 1 117 117 HIS C C 117 175.463 175.463 173.841 1.622 19425 14254 1 17 . 1 1 117 117 HIS CA C 117 56.119 56.119 55.739 0.380 19425 14255 1 17 . 1 1 117 117 HIS CB C 117 32.293 32.293 30.283 2.010 19425 14256 1 17 . 1 1 117 117 HIS H H 117 8.113 8.113 7.802 0.311 19425 14257 1 17 . 1 1 118 118 ALA N N 118 120.893 120.893 126.706 -5.813 19425 14258 1 17 . 1 1 118 118 ALA C C 118 173.775 173.775 176.117 -2.342 19425 14259 1 17 . 1 1 118 118 ALA CA C 118 50.378 50.378 51.446 -1.068 19425 14260 1 17 . 1 1 118 118 ALA CB C 118 21.646 21.646 19.543 2.103 19425 14261 1 17 . 1 1 118 118 ALA H H 118 9.458 9.458 8.967 0.491 19425 14262 1 17 . 1 1 120 120 LEU N N 120 119.631 119.631 124.083 -4.452 19425 14263 1 17 . 1 1 120 120 LEU C C 120 173.367 173.367 174.744 -1.377 19425 14264 1 17 . 1 1 120 120 LEU CA C 120 56.217 56.217 52.883 3.333 19425 14265 1 17 . 1 1 120 120 LEU CB C 120 39.519 39.519 43.972 -4.453 19425 14266 1 17 . 1 1 120 120 LEU H H 120 8.746 8.746 8.282 0.464 19425 14267 1 17 . 1 1 121 121 LEU N N 121 118.900 118.900 126.998 -8.098 19425 14268 1 17 . 1 1 121 121 LEU C C 121 171.400 171.400 175.770 -4.370 19425 14269 1 17 . 1 1 121 121 LEU CA C 121 52.852 52.852 53.743 -0.891 19425 14270 1 17 . 1 1 121 121 LEU CB C 121 43.452 43.452 42.805 0.647 19425 14271 1 17 . 1 1 121 121 LEU H H 121 8.590 8.590 8.619 -0.029 19425 14272 1 17 . 1 1 122 122 ARG N N 122 123.588 123.588 124.924 -1.336 19425 14273 1 17 . 1 1 122 122 ARG C C 122 176.465 176.465 175.448 1.017 19425 14274 1 17 . 1 1 122 122 ARG CA C 122 54.403 54.403 53.942 0.461 19425 14275 1 17 . 1 1 122 122 ARG CB C 122 32.897 32.897 31.736 1.161 19425 14276 1 17 . 1 1 122 122 ARG H H 122 9.077 9.077 8.711 0.366 19425 14277 1 17 . 1 1 123 123 HIS N N 123 131.440 131.440 127.529 3.911 19425 14278 1 17 . 1 1 123 123 HIS C C 123 175.704 175.704 175.608 0.096 19425 14279 1 17 . 1 1 123 123 HIS CA C 123 56.637 56.637 56.813 -0.176 19425 14280 1 17 . 1 1 123 123 HIS CB C 123 31.261 31.261 29.977 1.284 19425 14281 1 17 . 1 1 123 123 HIS H H 123 9.622 9.622 8.500 1.122 19425 14282 1 17 . 1 1 124 124 SER N N 124 127.024 127.024 123.839 3.185 19425 14283 1 17 . 1 1 124 124 SER C C 124 175.686 175.686 176.232 -0.546 19425 14284 1 17 . 1 1 124 124 SER CA C 124 62.010 62.010 61.815 0.195 19425 14285 1 17 . 1 1 124 124 SER CB C 124 62.912 62.912 62.931 -0.019 19425 14286 1 17 . 1 1 124 124 SER H H 124 7.840 7.840 7.829 0.011 19425 14287 1 17 . 1 1 125 125 TYR N N 125 119.708 119.708 121.508 -1.800 19425 14288 1 17 . 1 1 125 125 TYR C C 125 180.696 180.696 177.006 3.690 19425 14289 1 17 . 1 1 125 125 TYR CA C 125 60.903 60.903 60.812 0.090 19425 14290 1 17 . 1 1 125 125 TYR CB C 125 38.744 38.744 38.564 0.180 19425 14291 1 17 . 1 1 125 125 TYR H H 125 8.746 8.746 7.512 1.234 19425 14292 1 17 . 1 1 126 126 SER N N 126 110.333 110.333 113.190 -2.857 19425 14293 1 17 . 1 1 126 126 SER C C 126 176.543 176.543 176.311 0.232 19425 14294 1 17 . 1 1 126 126 SER CA C 126 59.366 59.366 59.044 0.322 19425 14295 1 17 . 1 1 126 126 SER CB C 126 65.282 65.282 65.245 0.037 19425 14296 1 17 . 1 1 126 126 SER H H 126 7.004 7.004 8.121 -1.117 19425 14297 1 17 . 1 1 127 127 GLY N N 127 113.322 113.322 110.834 2.488 19425 14298 1 17 . 1 1 127 127 GLY C C 127 176.428 176.428 174.611 1.817 19425 14299 1 17 . 1 1 127 127 GLY CA C 127 46.064 46.064 45.840 0.224 19425 14300 1 17 . 1 1 127 127 GLY H H 127 8.181 8.181 8.337 -0.156 19425 14301 1 17 . 1 1 128 128 MET N N 128 118.598 118.598 118.641 -0.043 19425 14302 1 17 . 1 1 128 128 MET C C 128 173.200 173.200 174.982 -1.782 19425 14303 1 17 . 1 1 128 128 MET CA C 128 55.429 55.429 56.423 -0.994 19425 14304 1 17 . 1 1 128 128 MET CB C 128 35.988 35.988 34.138 1.850 19425 14305 1 17 . 1 1 128 128 MET H H 128 7.551 7.551 7.464 0.087 19425 14306 1 17 . 1 1 129 129 TYR N N 129 116.715 116.715 114.495 2.220 19425 14307 1 17 . 1 1 129 129 TYR C C 129 172.884 172.884 175.755 -2.871 19425 14308 1 17 . 1 1 129 129 TYR CA C 129 58.658 58.658 57.163 1.495 19425 14309 1 17 . 1 1 129 129 TYR CB C 129 40.914 40.914 41.333 -0.419 19425 14310 1 17 . 1 1 129 129 TYR H H 129 8.923 8.923 8.525 0.398 19425 14311 1 17 . 1 1 130 130 LEU N N 130 123.061 123.061 125.319 -2.258 19425 14312 1 17 . 1 1 130 130 LEU C C 130 176.677 176.677 176.586 0.091 19425 14313 1 17 . 1 1 130 130 LEU CA C 130 56.311 56.311 56.068 0.243 19425 14314 1 17 . 1 1 130 130 LEU CB C 130 42.909 42.909 42.414 0.495 19425 14315 1 17 . 1 1 130 130 LEU H H 130 8.236 8.236 8.816 -0.580 19425 14316 1 17 . 1 1 131 131 CYS N N 131 126.618 126.618 122.780 3.838 19425 14317 1 17 . 1 1 131 131 CYS C C 131 177.616 177.616 173.724 3.892 19425 14318 1 17 . 1 1 131 131 CYS CA C 131 57.028 57.028 55.638 1.390 19425 14319 1 17 . 1 1 131 131 CYS CB C 131 32.339 32.339 30.932 1.407 19425 14320 1 17 . 1 1 131 131 CYS H H 131 9.516 9.516 9.490 0.026 19425 14321 1 17 . 1 1 132 132 CYS N N 132 124.860 124.860 124.292 0.568 19425 14322 1 17 . 1 1 132 132 CYS C C 132 172.309 172.309 174.475 -2.166 19425 14323 1 17 . 1 1 132 132 CYS CA C 132 59.436 59.436 58.827 0.610 19425 14324 1 17 . 1 1 132 132 CYS CB C 132 27.383 27.383 26.970 0.413 19425 14325 1 17 . 1 1 132 132 CYS H H 132 8.142 8.142 8.194 -0.052 19425 14326 1 17 . 1 1 133 133 LEU N N 133 131.382 131.382 127.856 3.526 19425 14327 1 17 . 1 1 133 133 LEU C C 133 174.035 174.035 177.813 -3.778 19425 14328 1 17 . 1 1 133 133 LEU CA C 133 54.799 54.799 54.129 0.670 19425 14329 1 17 . 1 1 133 133 LEU CB C 133 41.109 41.109 42.549 -1.440 19425 14330 1 17 . 1 1 133 133 LEU H H 133 9.008 9.008 8.217 0.791 19425 14331 1 17 . 1 1 134 134 SER N N 134 112.103 112.103 114.422 -2.319 19425 14332 1 17 . 1 1 134 134 SER C C 134 175.519 175.519 174.081 1.438 19425 14333 1 17 . 1 1 134 134 SER CA C 134 58.320 58.320 58.160 0.161 19425 14334 1 17 . 1 1 134 134 SER CB C 134 63.979 63.979 62.587 1.392 19425 14335 1 17 . 1 1 134 134 SER H H 134 8.229 8.229 8.575 -0.346 19425 14336 1 17 . 1 1 135 135 THR N N 135 111.693 111.693 111.938 -0.245 19425 14337 1 17 . 1 1 135 135 THR C C 135 174.535 174.535 174.946 -0.411 19425 14338 1 17 . 1 1 135 135 THR CA C 135 60.703 60.703 60.549 0.154 19425 14339 1 17 . 1 1 135 135 THR CB C 135 70.624 70.624 70.369 0.255 19425 14340 1 17 . 1 1 135 135 THR H H 135 7.292 7.292 7.308 -0.016 19425 14341 1 17 . 1 1 136 136 SER N N 136 117.260 117.260 123.417 -6.157 19425 14342 1 17 . 1 1 136 136 SER C C 136 173.478 173.478 175.088 -1.610 19425 14343 1 17 . 1 1 136 136 SER CA C 136 57.537 57.537 60.700 -3.163 19425 14344 1 17 . 1 1 136 136 SER CB C 136 64.593 64.593 63.666 0.927 19425 14345 1 17 . 1 1 136 136 SER H H 136 8.544 8.544 9.021 -0.477 19425 14346 1 17 . 1 1 137 137 ARG N N 137 124.804 124.804 115.170 9.634 19425 14347 1 17 . 1 1 137 137 ARG C C 137 175.000 175.000 176.084 -1.084 19425 14348 1 17 . 1 1 137 137 ARG CA C 137 56.922 56.922 56.191 0.732 19425 14349 1 17 . 1 1 137 137 ARG CB C 137 30.733 30.733 32.883 -2.150 19425 14350 1 17 . 1 1 137 137 ARG H H 137 9.231 9.231 7.554 1.677 19425 14351 1 17 . 1 1 138 138 SER N N 138 126.225 126.225 115.157 11.068 19425 14352 1 17 . 1 1 138 138 SER C C 138 175.871 175.871 173.367 2.504 19425 14353 1 17 . 1 1 138 138 SER CA C 138 61.891 61.891 58.730 3.161 19425 14354 1 17 . 1 1 138 138 SER CB C 138 62.730 62.730 64.040 -1.310 19425 14355 1 17 . 1 1 138 138 SER H H 138 7.891 7.891 7.705 0.186 19425 14356 1 17 . 1 1 140 140 THR N N 140 114.799 114.799 109.949 4.850 19425 14357 1 17 . 1 1 140 140 THR C C 140 173.756 173.756 172.648 1.108 19425 14358 1 17 . 1 1 140 140 THR CA C 140 62.895 62.895 60.895 2.000 19425 14359 1 17 . 1 1 140 140 THR CB C 140 69.332 69.332 72.117 -2.785 19425 14360 1 17 . 1 1 140 140 THR H H 140 8.168 8.168 7.982 0.186 19425 14361 1 17 . 1 1 141 141 ASP N N 141 121.772 121.772 121.861 -0.089 19425 14362 1 17 . 1 1 141 141 ASP C C 141 174.795 174.795 174.812 -0.017 19425 14363 1 17 . 1 1 141 141 ASP CA C 141 54.001 54.001 54.349 -0.348 19425 14364 1 17 . 1 1 141 141 ASP CB C 141 40.914 40.914 42.549 -1.635 19425 14365 1 17 . 1 1 141 141 ASP H H 141 8.049 8.049 8.534 -0.485 19425 14366 1 17 . 1 1 142 142 LYS N N 142 121.585 121.585 125.097 -3.512 19425 14367 1 17 . 1 1 142 142 LYS C C 142 176.274 176.274 175.874 0.400 19425 14368 1 17 . 1 1 142 142 LYS CA C 142 57.106 57.106 55.725 1.381 19425 14369 1 17 . 1 1 142 142 LYS CB C 142 31.369 31.369 33.664 -2.295 19425 14370 1 17 . 1 1 142 142 LYS H H 142 8.376 8.376 8.661 -0.285 19425 14371 1 17 . 1 1 143 143 LEU N N 143 119.604 119.604 120.003 -0.399 19425 14372 1 17 . 1 1 143 143 LEU C C 143 176.798 176.798 176.894 -0.096 19425 14373 1 17 . 1 1 143 143 LEU CA C 143 55.261 55.261 57.258 -1.997 19425 14374 1 17 . 1 1 143 143 LEU CB C 143 41.487 41.487 40.585 0.902 19425 14375 1 17 . 1 1 143 143 LEU H H 143 8.262 8.262 8.902 -0.640 19425 14376 1 17 . 1 1 144 144 ALA N N 144 123.881 123.881 119.780 4.101 19425 14377 1 17 . 1 1 144 144 ALA C C 144 176.410 176.410 175.817 0.593 19425 14378 1 17 . 1 1 144 144 ALA CA C 144 51.335 51.335 50.678 0.657 19425 14379 1 17 . 1 1 144 144 ALA CB C 144 20.924 20.924 21.429 -0.505 19425 14380 1 17 . 1 1 144 144 ALA H H 144 7.614 7.614 7.747 -0.133 19425 14381 1 17 . 1 1 145 145 PHE N N 145 120.083 120.083 117.364 2.719 19425 14382 1 17 . 1 1 145 145 PHE C C 145 176.948 176.948 175.671 1.277 19425 14383 1 17 . 1 1 145 145 PHE CA C 145 55.872 55.872 56.504 -0.632 19425 14384 1 17 . 1 1 145 145 PHE CB C 145 42.468 42.468 41.337 1.131 19425 14385 1 17 . 1 1 145 145 PHE H H 145 8.647 8.647 8.609 0.038 19425 14386 1 17 . 1 1 146 146 ASP N N 146 119.893 119.893 120.321 -0.428 19425 14387 1 17 . 1 1 146 146 ASP C C 146 175.519 175.519 174.477 1.042 19425 14388 1 17 . 1 1 146 146 ASP CA C 146 54.679 54.679 54.607 0.072 19425 14389 1 17 . 1 1 146 146 ASP CB C 146 42.169 42.169 42.939 -0.770 19425 14390 1 17 . 1 1 146 146 ASP H H 146 8.692 8.692 8.911 -0.219 19425 14391 1 17 . 1 1 147 147 VAL N N 147 118.800 118.800 121.533 -2.733 19425 14392 1 17 . 1 1 147 147 VAL C C 147 174.053 174.053 175.277 -1.224 19425 14393 1 17 . 1 1 147 147 VAL CA C 147 60.671 60.671 61.212 -0.541 19425 14394 1 17 . 1 1 147 147 VAL CB C 147 35.326 35.326 33.151 2.175 19425 14395 1 17 . 1 1 147 147 VAL H H 147 8.224 8.224 8.633 -0.409 19425 14396 1 17 . 1 1 148 148 GLY N N 148 113.226 113.226 114.757 -1.531 19425 14397 1 17 . 1 1 148 148 GLY C C 148 175.141 175.141 172.119 3.022 19425 14398 1 17 . 1 1 148 148 GLY CA C 148 45.384 45.384 43.709 1.675 19425 14399 1 17 . 1 1 148 148 GLY H H 148 8.594 8.594 8.843 -0.249 19425 14400 1 17 . 1 1 149 149 LEU N N 149 120.880 120.880 119.556 1.324 19425 14401 1 17 . 1 1 149 149 LEU C C 149 170.973 170.973 176.320 -5.347 19425 14402 1 17 . 1 1 149 149 LEU CA C 149 53.299 53.299 53.677 -0.378 19425 14403 1 17 . 1 1 149 149 LEU CB C 149 43.938 43.938 45.391 -1.453 19425 14404 1 17 . 1 1 149 149 LEU H H 149 8.303 8.303 8.153 0.150 19425 14405 1 17 . 1 1 150 150 GLN N N 150 118.978 118.978 121.379 -2.401 19425 14406 1 17 . 1 1 150 150 GLN C C 150 177.133 177.133 175.673 1.460 19425 14407 1 17 . 1 1 150 150 GLN CA C 150 54.723 54.723 54.977 -0.254 19425 14408 1 17 . 1 1 150 150 GLN CB C 150 32.690 32.690 32.336 0.354 19425 14409 1 17 . 1 1 150 150 GLN H H 150 9.115 9.115 8.821 0.294 19425 14410 1 17 . 1 1 151 151 GLU N N 151 121.344 121.344 123.724 -2.380 19425 14411 1 17 . 1 1 151 151 GLU C C 151 175.333 175.333 176.111 -0.778 19425 14412 1 17 . 1 1 151 151 GLU CA C 151 59.140 59.140 58.325 0.815 19425 14413 1 17 . 1 1 151 151 GLU CB C 151 30.735 30.735 29.898 0.837 19425 14414 1 17 . 1 1 151 151 GLU H H 151 9.142 9.142 8.762 0.380 19425 14415 1 17 . 1 1 152 152 ASP N N 152 117.494 117.494 118.605 -1.111 19425 14416 1 17 . 1 1 152 152 ASP C C 152 176.391 176.391 176.134 0.257 19425 14417 1 17 . 1 1 152 152 ASP CA C 152 54.139 54.139 54.252 -0.113 19425 14418 1 17 . 1 1 152 152 ASP CB C 152 41.920 41.920 41.514 0.406 19425 14419 1 17 . 1 1 152 152 ASP H H 152 8.023 8.023 8.006 0.017 19425 14420 1 17 . 1 1 153 153 THR N N 153 111.969 111.969 108.210 3.759 19425 14421 1 17 . 1 1 153 153 THR C C 153 175.964 175.964 175.037 0.927 19425 14422 1 17 . 1 1 153 153 THR CA C 153 61.894 61.894 61.998 -0.103 19425 14423 1 17 . 1 1 153 153 THR CB C 153 68.903 68.903 69.631 -0.728 19425 14424 1 17 . 1 1 153 153 THR H H 153 7.985 7.985 7.999 -0.014 19425 14425 1 17 . 1 1 154 154 THR N N 154 113.978 113.978 115.706 -1.728 19425 14426 1 17 . 1 1 154 154 THR C C 154 175.000 175.000 174.812 0.188 19425 14427 1 17 . 1 1 154 154 THR CA C 154 62.359 62.359 64.394 -2.035 19425 14428 1 17 . 1 1 154 154 THR CB C 154 69.210 69.210 68.971 0.239 19425 14429 1 17 . 1 1 154 154 THR H H 154 7.790 7.790 7.696 0.094 19425 14430 1 17 . 1 1 155 155 GLY N N 155 108.411 108.411 113.787 -5.376 19425 14431 1 17 . 1 1 155 155 GLY C C 155 174.702 174.702 172.959 1.743 19425 14432 1 17 . 1 1 155 155 GLY CA C 155 44.737 44.737 44.601 0.136 19425 14433 1 17 . 1 1 155 155 GLY H H 155 7.639 7.639 7.998 -0.359 19425 14434 1 17 . 1 1 156 156 GLU N N 156 118.666 118.666 120.510 -1.844 19425 14435 1 17 . 1 1 156 156 GLU C C 156 173.571 173.571 177.862 -4.291 19425 14436 1 17 . 1 1 156 156 GLU CA C 156 59.352 59.352 57.009 2.343 19425 14437 1 17 . 1 1 156 156 GLU CB C 156 31.248 31.248 30.353 0.895 19425 14438 1 17 . 1 1 156 156 GLU H H 156 8.606 8.606 8.719 -0.113 19425 14439 1 17 . 1 1 157 157 ALA N N 157 118.664 118.664 123.764 -5.100 19425 14440 1 17 . 1 1 157 157 ALA C C 157 177.727 177.727 178.359 -0.632 19425 14441 1 17 . 1 1 157 157 ALA CA C 157 55.063 55.063 54.781 0.282 19425 14442 1 17 . 1 1 157 157 ALA CB C 157 18.856 18.856 18.337 0.519 19425 14443 1 17 . 1 1 157 157 ALA H H 157 8.159 8.159 8.511 -0.352 19425 14444 1 17 . 1 1 158 158 CYS N N 158 114.681 114.681 115.268 -0.587 19425 14445 1 17 . 1 1 158 158 CYS C C 158 179.972 179.972 173.361 6.611 19425 14446 1 17 . 1 1 158 158 CYS CA C 158 57.585 57.585 58.061 -0.476 19425 14447 1 17 . 1 1 158 158 CYS CB C 158 27.977 27.977 26.191 1.786 19425 14448 1 17 . 1 1 158 158 CYS H H 158 7.973 7.973 8.307 -0.334 19425 14449 1 17 . 1 1 165 165 ALA N N 165 122.416 122.416 128.597 -6.181 19425 14450 1 17 . 1 1 165 165 ALA C C 165 176.743 176.743 177.652 -0.909 19425 14451 1 17 . 1 1 165 165 ALA CA C 165 52.390 52.390 53.640 -1.250 19425 14452 1 17 . 1 1 165 165 ALA CB C 165 20.486 20.486 19.352 1.134 19425 14453 1 17 . 1 1 165 165 ALA H H 165 8.190 8.190 8.617 -0.427 19425 14454 1 17 . 1 1 166 166 SER N N 166 111.681 111.681 112.897 -1.216 19425 14455 1 17 . 1 1 166 166 SER C C 166 176.876 176.876 174.194 2.682 19425 14456 1 17 . 1 1 166 166 SER CA C 166 56.863 56.863 57.156 -0.293 19425 14457 1 17 . 1 1 166 166 SER CB C 166 65.738 65.738 64.950 0.788 19425 14458 1 17 . 1 1 166 166 SER H H 166 7.690 7.690 7.574 0.116 19425 14459 1 17 . 1 1 167 167 LYS N N 167 121.655 121.655 118.823 2.832 19425 14460 1 17 . 1 1 167 167 LYS C C 167 175.241 175.241 177.521 -2.280 19425 14461 1 17 . 1 1 167 167 LYS CA C 167 55.297 55.297 56.730 -1.433 19425 14462 1 17 . 1 1 167 167 LYS CB C 167 31.364 31.364 32.276 -0.912 19425 14463 1 17 . 1 1 167 167 LYS H H 167 8.230 8.230 8.471 -0.241 19425 14464 1 17 . 1 1 168 168 GLN N N 168 117.832 117.832 117.070 0.762 19425 14465 1 17 . 1 1 168 168 GLN C C 168 176.836 176.836 176.813 0.023 19425 14466 1 17 . 1 1 168 168 GLN CA C 168 57.366 57.366 56.691 0.675 19425 14467 1 17 . 1 1 168 168 GLN CB C 168 28.979 28.979 28.886 0.093 19425 14468 1 17 . 1 1 168 168 GLN H H 168 8.134 8.134 7.752 0.382 19425 14469 1 17 . 1 1 169 169 ARG N N 169 117.052 117.052 119.857 -2.805 19425 14470 1 17 . 1 1 169 169 ARG C C 169 175.946 175.946 175.280 0.666 19425 14471 1 17 . 1 1 169 169 ARG CA C 169 52.885 52.885 54.655 -1.770 19425 14472 1 17 . 1 1 169 169 ARG CB C 169 32.795 32.795 30.711 2.084 19425 14473 1 17 . 1 1 169 169 ARG H H 169 7.209 7.209 7.739 -0.530 19425 14474 1 17 . 1 1 170 170 SER N N 170 114.335 114.335 114.390 -0.055 19425 14475 1 17 . 1 1 170 170 SER C C 170 174.387 174.387 173.468 0.919 19425 14476 1 17 . 1 1 170 170 SER CA C 170 56.976 56.976 55.916 1.060 19425 14477 1 17 . 1 1 170 170 SER CB C 170 66.348 66.348 65.178 1.170 19425 14478 1 17 . 1 1 170 170 SER H H 170 8.279 8.279 8.510 -0.231 19425 14479 1 17 . 1 1 171 171 GLU N N 171 121.428 121.428 120.425 1.003 19425 14480 1 17 . 1 1 171 171 GLU C C 171 173.293 173.293 177.142 -3.849 19425 14481 1 17 . 1 1 171 171 GLU CA C 171 58.658 58.658 56.940 1.718 19425 14482 1 17 . 1 1 171 171 GLU CB C 171 28.693 28.693 28.758 -0.065 19425 14483 1 17 . 1 1 171 171 GLU H H 171 8.540 8.540 8.595 -0.055 19425 14484 1 17 . 1 1 172 172 GLY N N 172 113.162 113.162 114.434 -1.272 19425 14485 1 17 . 1 1 172 172 GLY C C 172 177.504 177.504 174.557 2.947 19425 14486 1 17 . 1 1 172 172 GLY CA C 172 45.452 45.452 44.936 0.516 19425 14487 1 17 . 1 1 172 172 GLY H H 172 8.676 8.676 9.070 -0.394 19425 14488 1 17 . 1 1 173 173 GLU N N 173 119.545 119.545 121.406 -1.861 19425 14489 1 17 . 1 1 173 173 GLU C C 173 173.311 173.311 176.090 -2.779 19425 14490 1 17 . 1 1 173 173 GLU CA C 173 55.689 55.689 56.673 -0.985 19425 14491 1 17 . 1 1 173 173 GLU CB C 173 31.204 31.204 30.776 0.428 19425 14492 1 17 . 1 1 173 173 GLU H H 173 7.805 7.805 7.832 -0.027 19425 14493 1 17 . 1 1 174 174 LYS N N 174 120.834 120.834 120.892 -0.058 19425 14494 1 17 . 1 1 174 174 LYS C C 174 175.352 175.352 176.671 -1.319 19425 14495 1 17 . 1 1 174 174 LYS CA C 174 57.207 57.207 56.973 0.234 19425 14496 1 17 . 1 1 174 174 LYS CB C 174 34.185 34.185 32.804 1.381 19425 14497 1 17 . 1 1 174 174 LYS H H 174 8.215 8.215 8.447 -0.232 19425 14498 1 17 . 1 1 175 175 VAL N N 175 122.529 122.529 123.647 -1.118 19425 14499 1 17 . 1 1 175 175 VAL C C 175 176.595 176.595 175.324 1.271 19425 14500 1 17 . 1 1 175 175 VAL CA C 175 63.046 63.046 61.728 1.318 19425 14501 1 17 . 1 1 175 175 VAL CB C 175 31.265 31.265 31.607 -0.342 19425 14502 1 17 . 1 1 175 175 VAL H H 175 7.914 7.914 8.482 -0.568 19425 14503 1 17 . 1 1 176 176 ARG N N 176 127.622 127.622 127.631 -0.009 19425 14504 1 17 . 1 1 176 176 ARG C C 176 175.742 175.742 176.954 -1.212 19425 14505 1 17 . 1 1 176 176 ARG CA C 176 55.767 55.767 55.132 0.635 19425 14506 1 17 . 1 1 176 176 ARG CB C 176 30.480 30.480 31.198 -0.718 19425 14507 1 17 . 1 1 176 176 ARG H H 176 7.570 7.570 8.236 -0.666 19425 14508 1 17 . 1 1 177 177 VAL N N 177 122.521 122.521 122.378 0.143 19425 14509 1 17 . 1 1 177 177 VAL C C 177 177.523 177.523 177.340 0.183 19425 14510 1 17 . 1 1 177 177 VAL CA C 177 65.322 65.322 64.175 1.147 19425 14511 1 17 . 1 1 177 177 VAL CB C 177 31.431 31.431 31.238 0.193 19425 14512 1 17 . 1 1 177 177 VAL H H 177 8.276 8.276 7.964 0.312 19425 14513 1 17 . 1 1 179 179 ASP N N 179 122.577 122.577 123.577 -1.000 19425 14514 1 17 . 1 1 179 179 ASP C C 179 174.554 174.554 175.706 -1.152 19425 14515 1 17 . 1 1 179 179 ASP CA C 179 54.687 54.687 54.999 -0.312 19425 14516 1 17 . 1 1 179 179 ASP CB C 179 40.417 40.417 41.215 -0.798 19425 14517 1 17 . 1 1 179 179 ASP H H 179 7.848 7.848 7.901 -0.053 19425 14518 1 17 . 1 1 180 180 ASP N N 180 121.916 121.916 124.010 -2.094 19425 14519 1 17 . 1 1 180 180 ASP C C 180 174.610 174.610 175.850 -1.240 19425 14520 1 17 . 1 1 180 180 ASP CA C 180 54.379 54.379 54.835 -0.456 19425 14521 1 17 . 1 1 180 180 ASP CB C 180 42.178 42.178 41.062 1.116 19425 14522 1 17 . 1 1 180 180 ASP H H 180 8.521 8.521 8.521 0.000 19425 14523 1 17 . 1 1 181 181 LEU N N 181 121.499 121.499 123.608 -2.109 19425 14524 1 17 . 1 1 181 181 LEU C C 181 175.166 175.166 176.695 -1.529 19425 14525 1 17 . 1 1 181 181 LEU CA C 181 54.379 54.379 53.657 0.723 19425 14526 1 17 . 1 1 181 181 LEU CB C 181 45.395 45.395 44.565 0.830 19425 14527 1 17 . 1 1 181 181 LEU H H 181 9.782 9.782 9.109 0.673 19425 14528 1 17 . 1 1 185 185 SER N N 185 122.939 122.939 121.670 1.269 19425 14529 1 17 . 1 1 185 185 SER C C 185 175.871 175.871 175.307 0.564 19425 14530 1 17 . 1 1 185 185 SER CA C 185 57.514 57.514 58.024 -0.510 19425 14531 1 17 . 1 1 185 185 SER CB C 185 62.772 62.772 63.252 -0.480 19425 14532 1 17 . 1 1 185 185 SER H H 185 9.183 9.183 8.786 0.397 19425 14533 1 17 . 1 1 186 186 VAL N N 186 131.799 131.799 128.584 3.215 19425 14534 1 17 . 1 1 186 186 VAL C C 186 177.226 177.226 177.458 -0.232 19425 14535 1 17 . 1 1 186 186 VAL CA C 186 65.883 65.883 65.150 0.734 19425 14536 1 17 . 1 1 186 186 VAL CB C 186 31.190 31.190 31.341 -0.151 19425 14537 1 17 . 1 1 186 186 VAL H H 186 8.285 8.285 8.375 -0.090 19425 14538 1 17 . 1 1 187 187 SER N N 187 110.228 110.228 114.196 -3.968 19425 14539 1 17 . 1 1 187 187 SER C C 187 177.077 177.077 175.660 1.417 19425 14540 1 17 . 1 1 187 187 SER CA C 187 60.200 60.200 59.972 0.228 19425 14541 1 17 . 1 1 187 187 SER CB C 187 62.264 62.264 63.330 -1.066 19425 14542 1 17 . 1 1 187 187 SER H H 187 7.000 7.000 7.988 -0.988 19425 14543 1 17 . 1 1 188 188 SER N N 188 115.022 115.022 114.945 0.077 19425 14544 1 17 . 1 1 188 188 SER C C 188 176.632 176.632 173.028 3.604 19425 14545 1 17 . 1 1 188 188 SER CA C 188 58.889 58.889 58.540 0.349 19425 14546 1 17 . 1 1 188 188 SER CB C 188 66.818 66.818 64.856 1.962 19425 14547 1 17 . 1 1 188 188 SER H H 188 7.886 7.886 7.543 0.343 19425 14548 1 17 . 1 1 189 189 GLU N N 189 118.477 118.477 118.613 -0.136 19425 14549 1 17 . 1 1 189 189 GLU C C 189 175.000 175.000 174.405 0.595 19425 14550 1 17 . 1 1 189 189 GLU CA C 189 58.562 58.562 57.914 0.648 19425 14551 1 17 . 1 1 189 189 GLU CB C 189 27.420 27.420 27.561 -0.141 19425 14552 1 17 . 1 1 189 189 GLU H H 189 7.929 7.929 8.202 -0.273 19425 14553 1 17 . 1 1 190 190 ARG N N 190 116.828 116.828 116.963 -0.135 19425 14554 1 17 . 1 1 190 190 ARG C C 190 173.868 173.868 175.935 -2.067 19425 14555 1 17 . 1 1 190 190 ARG CA C 190 54.238 54.238 54.468 -0.230 19425 14556 1 17 . 1 1 190 190 ARG CB C 190 32.141 32.141 33.064 -0.923 19425 14557 1 17 . 1 1 190 190 ARG H H 190 6.723 6.723 7.300 -0.577 19425 14558 1 17 . 1 1 191 191 TYR N N 191 118.733 118.733 121.409 -2.676 19425 14559 1 17 . 1 1 191 191 TYR C C 191 174.368 174.368 177.341 -2.973 19425 14560 1 17 . 1 1 191 191 TYR CA C 191 57.405 57.405 58.741 -1.336 19425 14561 1 17 . 1 1 191 191 TYR CB C 191 39.444 39.444 39.444 -0.000 19425 14562 1 17 . 1 1 191 191 TYR H H 191 8.912 8.912 8.991 -0.079 19425 14563 1 17 . 1 1 192 192 LEU N N 192 123.460 123.460 124.556 -1.096 19425 14564 1 17 . 1 1 192 192 LEU C C 192 176.753 176.753 176.094 0.659 19425 14565 1 17 . 1 1 192 192 LEU CA C 192 57.061 57.061 54.215 2.846 19425 14566 1 17 . 1 1 192 192 LEU CB C 192 41.351 41.351 40.602 0.749 19425 14567 1 17 . 1 1 192 192 LEU H H 192 8.836 8.836 8.883 -0.047 19425 14568 1 17 . 1 1 193 193 HIS N N 193 134.195 134.195 125.323 8.872 19425 14569 1 17 . 1 1 193 193 HIS C C 193 178.766 178.766 174.439 4.327 19425 14570 1 17 . 1 1 193 193 HIS CA C 193 56.349 56.349 56.067 0.282 19425 14571 1 17 . 1 1 193 193 HIS CB C 193 31.613 31.613 31.865 -0.252 19425 14572 1 17 . 1 1 193 193 HIS H H 193 10.227 10.227 8.886 1.341 19425 14573 1 17 . 1 1 194 194 LEU N N 194 128.500 128.500 127.235 1.265 19425 14574 1 17 . 1 1 194 194 LEU C C 194 170.268 170.268 175.033 -4.765 19425 14575 1 17 . 1 1 194 194 LEU CA C 194 54.139 54.139 53.890 0.249 19425 14576 1 17 . 1 1 194 194 LEU CB C 194 44.036 44.036 43.177 0.859 19425 14577 1 17 . 1 1 194 194 LEU H H 194 7.784 7.784 7.681 0.103 19425 14578 1 17 . 1 1 195 195 SER N N 195 122.195 122.195 121.958 0.237 19425 14579 1 17 . 1 1 195 195 SER C C 195 174.740 174.740 173.287 1.453 19425 14580 1 17 . 1 1 195 195 SER CA C 195 56.814 56.814 56.370 0.445 19425 14581 1 17 . 1 1 195 195 SER CB C 195 66.260 66.260 65.961 0.299 19425 14582 1 17 . 1 1 195 195 SER H H 195 9.042 9.042 8.968 0.074 19425 14583 1 17 . 1 1 196 196 TYR N N 196 124.809 124.809 129.278 -4.469 19425 14584 1 17 . 1 1 196 196 TYR C C 196 172.439 172.439 175.304 -2.865 19425 14585 1 17 . 1 1 196 196 TYR CA C 196 57.019 57.019 56.607 0.412 19425 14586 1 17 . 1 1 196 196 TYR CB C 196 39.817 39.817 38.841 0.976 19425 14587 1 17 . 1 1 196 196 TYR H H 196 8.657 8.657 8.855 -0.198 19425 14588 1 17 . 1 1 197 197 GLY N N 197 114.111 114.111 114.485 -0.374 19425 14589 1 17 . 1 1 197 197 GLY C C 197 176.113 176.113 174.341 1.772 19425 14590 1 17 . 1 1 197 197 GLY CA C 197 45.492 45.492 44.394 1.098 19425 14591 1 17 . 1 1 197 197 GLY H H 197 8.030 8.030 8.325 -0.295 19425 14592 1 17 . 1 1 200 200 SER N N 200 113.158 113.158 114.474 -1.316 19425 14593 1 17 . 1 1 200 200 SER C C 200 172.661 172.661 172.059 0.602 19425 14594 1 17 . 1 1 200 200 SER CA C 200 56.890 56.890 56.040 0.850 19425 14595 1 17 . 1 1 200 200 SER CB C 200 65.522 65.522 65.092 0.430 19425 14596 1 17 . 1 1 200 200 SER H H 200 6.893 6.893 7.326 -0.433 19425 14597 1 17 . 1 1 201 201 TRP N N 201 122.521 122.521 119.978 2.543 19425 14598 1 17 . 1 1 201 201 TRP C C 201 171.813 171.813 176.027 -4.214 19425 14599 1 17 . 1 1 201 201 TRP CA C 201 56.990 56.990 56.005 0.985 19425 14600 1 17 . 1 1 201 201 TRP CB C 201 31.501 31.501 32.080 -0.579 19425 14601 1 17 . 1 1 201 201 TRP H H 201 8.243 8.243 8.149 0.094 19425 14602 1 17 . 1 1 202 202 HIS N N 202 121.171 121.171 118.838 2.333 19425 14603 1 17 . 1 1 202 202 HIS C C 202 173.805 173.805 173.698 0.107 19425 14604 1 17 . 1 1 202 202 HIS CA C 202 55.169 55.169 54.793 0.376 19425 14605 1 17 . 1 1 202 202 HIS CB C 202 32.254 32.254 34.045 -1.791 19425 14606 1 17 . 1 1 202 202 HIS H H 202 9.383 9.383 9.359 0.024 19425 14607 1 17 . 1 1 203 203 VAL N N 203 119.943 119.943 121.632 -1.689 19425 14608 1 17 . 1 1 203 203 VAL C C 203 172.439 172.439 174.450 -2.011 19425 14609 1 17 . 1 1 203 203 VAL CA C 203 58.683 58.683 59.694 -1.011 19425 14610 1 17 . 1 1 203 203 VAL CB C 203 33.957 33.957 34.477 -0.520 19425 14611 1 17 . 1 1 203 203 VAL H H 203 8.649 8.649 8.846 -0.197 19425 14612 1 17 . 1 1 204 204 ASP N N 204 127.907 127.907 126.233 1.674 19425 14613 1 17 . 1 1 204 204 ASP C C 204 173.162 173.162 173.818 -0.656 19425 14614 1 17 . 1 1 204 204 ASP CA C 204 53.545 53.545 52.826 0.719 19425 14615 1 17 . 1 1 204 204 ASP CB C 204 42.169 42.169 44.283 -2.115 19425 14616 1 17 . 1 1 204 204 ASP H H 204 9.822 9.822 9.006 0.816 19425 14617 1 17 . 1 1 205 205 ALA N N 205 121.047 121.047 121.128 -0.081 19425 14618 1 17 . 1 1 205 205 ALA C C 205 172.754 172.754 176.259 -3.505 19425 14619 1 17 . 1 1 205 205 ALA CA C 205 50.147 50.147 50.573 -0.426 19425 14620 1 17 . 1 1 205 205 ALA CB C 205 19.642 19.642 19.454 0.188 19425 14621 1 17 . 1 1 205 205 ALA H H 205 9.176 9.176 8.368 0.808 19425 14622 1 17 . 1 1 206 206 ALA N N 206 127.318 127.318 126.258 1.060 19425 14623 1 17 . 1 1 206 206 ALA C C 206 176.465 176.465 175.928 0.537 19425 14624 1 17 . 1 1 206 206 ALA CA C 206 50.609 50.609 50.288 0.321 19425 14625 1 17 . 1 1 206 206 ALA CB C 206 23.819 23.819 21.827 1.992 19425 14626 1 17 . 1 1 206 206 ALA H H 206 9.088 9.088 8.006 1.082 19425 14627 1 17 . 1 1 207 207 PHE N N 207 117.878 117.878 117.065 0.813 19425 14628 1 17 . 1 1 207 207 PHE C C 207 176.576 176.576 175.708 0.868 19425 14629 1 17 . 1 1 207 207 PHE CA C 207 59.714 59.714 58.761 0.953 19425 14630 1 17 . 1 1 207 207 PHE CB C 207 38.239 38.239 38.798 -0.559 19425 14631 1 17 . 1 1 207 207 PHE H H 207 8.953 8.953 8.410 0.543 19425 14632 1 17 . 1 1 208 208 GLN N N 208 117.531 117.531 116.939 0.592 19425 14633 1 17 . 1 1 208 208 GLN C C 208 175.166 175.166 175.583 -0.417 19425 14634 1 17 . 1 1 208 208 GLN CA C 208 55.096 55.096 53.911 1.185 19425 14635 1 17 . 1 1 208 208 GLN CB C 208 30.437 30.437 30.012 0.425 19425 14636 1 17 . 1 1 208 208 GLN H H 208 6.613 6.613 7.735 -1.122 19425 14637 1 17 . 1 1 209 209 GLN N N 209 117.318 117.318 121.929 -4.611 19425 14638 1 17 . 1 1 209 209 GLN C C 209 173.162 173.162 175.702 -2.540 19425 14639 1 17 . 1 1 209 209 GLN CA C 209 56.217 56.217 56.813 -0.596 19425 14640 1 17 . 1 1 209 209 GLN CB C 209 29.912 29.912 29.458 0.454 19425 14641 1 17 . 1 1 209 209 GLN H H 209 8.108 8.108 8.287 -0.179 19425 14642 1 17 . 1 1 210 210 THR N N 210 116.616 116.616 113.696 2.920 19425 14643 1 17 . 1 1 210 210 THR C C 210 176.150 176.150 172.791 3.359 19425 14644 1 17 . 1 1 210 210 THR CA C 210 62.848 62.848 61.995 0.854 19425 14645 1 17 . 1 1 210 210 THR CB C 210 73.244 73.244 70.610 2.634 19425 14646 1 17 . 1 1 210 210 THR H H 210 6.641 6.641 8.323 -1.682 19425 14647 1 17 . 1 1 211 211 LEU N N 211 126.776 126.776 127.306 -0.530 19425 14648 1 17 . 1 1 211 211 LEU C C 211 171.418 171.418 175.693 -4.275 19425 14649 1 17 . 1 1 211 211 LEU CA C 211 55.012 55.012 54.842 0.170 19425 14650 1 17 . 1 1 211 211 LEU CB C 211 41.627 41.627 42.284 -0.657 19425 14651 1 17 . 1 1 211 211 LEU H H 211 8.418 8.418 8.408 0.010 19425 14652 1 17 . 1 1 212 212 TRP N N 212 124.678 124.678 125.104 -0.426 19425 14653 1 17 . 1 1 212 212 TRP C C 212 175.742 175.742 175.869 -0.127 19425 14654 1 17 . 1 1 212 212 TRP CA C 212 56.052 56.052 55.537 0.515 19425 14655 1 17 . 1 1 212 212 TRP CB C 212 31.169 31.169 33.005 -1.836 19425 14656 1 17 . 1 1 212 212 TRP H H 212 9.462 9.462 9.248 0.214 19425 14657 1 17 . 1 1 213 213 SER N N 213 118.197 118.197 117.610 0.587 19425 14658 1 17 . 1 1 213 213 SER C C 213 175.575 175.575 173.654 1.921 19425 14659 1 17 . 1 1 213 213 SER CA C 213 57.141 57.141 57.667 -0.526 19425 14660 1 17 . 1 1 213 213 SER CB C 213 64.800 64.800 64.142 0.658 19425 14661 1 17 . 1 1 213 213 SER H H 213 9.642 9.642 9.433 0.209 19425 14662 1 17 . 1 1 214 214 VAL N N 214 125.581 125.581 128.408 -2.827 19425 14663 1 17 . 1 1 214 214 VAL C C 214 174.183 174.183 174.909 -0.726 19425 14664 1 17 . 1 1 214 214 VAL CA C 214 61.398 61.398 61.499 -0.101 19425 14665 1 17 . 1 1 214 214 VAL CB C 214 32.502 32.502 30.667 1.835 19425 14666 1 17 . 1 1 214 214 VAL H H 214 8.433 8.433 8.808 -0.375 19425 14667 1 17 . 1 1 215 215 ALA N N 215 130.074 130.074 131.910 -1.836 19425 14668 1 17 . 1 1 215 215 ALA C C 215 174.647 174.647 174.333 0.314 19425 14669 1 17 . 1 1 215 215 ALA CA C 215 49.058 49.058 48.639 0.419 19425 14670 1 17 . 1 1 215 215 ALA CB C 215 20.299 20.299 20.538 -0.239 19425 14671 1 17 . 1 1 215 215 ALA H H 215 8.572 8.572 8.354 0.218 19425 14672 1 18 . 1 1 13 13 PHE N N 13 122.001 122.001 120.612 1.389 19425 14673 1 18 . 1 1 13 13 PHE C C 13 174.608 174.608 175.787 -1.179 19425 14674 1 18 . 1 1 13 13 PHE CA C 13 56.445 56.445 55.790 0.655 19425 14675 1 18 . 1 1 13 13 PHE CB C 13 41.650 41.650 42.424 -0.774 19425 14676 1 18 . 1 1 13 13 PHE H H 13 8.209 8.209 8.156 0.053 19425 14677 1 18 . 1 1 14 14 LEU N N 14 122.475 122.475 123.774 -1.299 19425 14678 1 18 . 1 1 14 14 LEU C C 14 175.630 175.630 175.996 -0.366 19425 14679 1 18 . 1 1 14 14 LEU CA C 14 55.024 55.024 54.834 0.190 19425 14680 1 18 . 1 1 14 14 LEU CB C 14 43.987 43.987 42.223 1.764 19425 14681 1 18 . 1 1 14 14 LEU H H 14 8.264 8.264 9.022 -0.758 19425 14682 1 18 . 1 1 15 15 ARG N N 15 121.510 121.510 122.692 -1.182 19425 14683 1 18 . 1 1 15 15 ARG C C 15 175.630 175.630 177.176 -1.546 19425 14684 1 18 . 1 1 15 15 ARG CA C 15 54.007 54.007 52.792 1.215 19425 14685 1 18 . 1 1 15 15 ARG CB C 15 34.536 34.536 32.772 1.764 19425 14686 1 18 . 1 1 15 15 ARG H H 15 8.653 8.653 8.216 0.437 19425 14687 1 18 . 1 1 16 16 THR N N 16 110.840 110.840 113.630 -2.790 19425 14688 1 18 . 1 1 16 16 THR C C 16 175.946 175.946 175.338 0.608 19425 14689 1 18 . 1 1 16 16 THR CA C 16 62.950 62.950 62.914 0.036 19425 14690 1 18 . 1 1 16 16 THR CB C 16 69.276 69.276 69.649 -0.373 19425 14691 1 18 . 1 1 16 16 THR H H 16 8.815 8.815 8.566 0.249 19425 14692 1 18 . 1 1 17 17 ASP N N 17 114.036 114.036 119.666 -5.630 19425 14693 1 18 . 1 1 17 17 ASP C C 17 175.686 175.686 174.847 0.839 19425 14694 1 18 . 1 1 17 17 ASP CA C 17 57.735 57.735 56.117 1.618 19425 14695 1 18 . 1 1 17 17 ASP CB C 17 39.928 39.928 40.394 -0.466 19425 14696 1 18 . 1 1 17 17 ASP H H 17 9.241 9.241 8.776 0.465 19425 14697 1 18 . 1 1 18 18 ASP N N 18 122.062 122.062 122.238 -0.176 19425 14698 1 18 . 1 1 18 18 ASP C C 18 175.946 175.946 175.772 0.174 19425 14699 1 18 . 1 1 18 18 ASP CA C 18 56.214 56.214 55.126 1.088 19425 14700 1 18 . 1 1 18 18 ASP CB C 18 40.985 40.985 41.193 -0.208 19425 14701 1 18 . 1 1 18 18 ASP H H 18 8.035 8.035 7.554 0.480 19425 14702 1 18 . 1 1 19 19 GLU N N 19 122.006 122.006 123.630 -1.624 19425 14703 1 18 . 1 1 19 19 GLU C C 19 175.055 175.055 176.326 -1.271 19425 14704 1 18 . 1 1 19 19 GLU CA C 19 55.262 55.262 56.731 -1.469 19425 14705 1 18 . 1 1 19 19 GLU CB C 19 30.712 30.712 30.518 0.194 19425 14706 1 18 . 1 1 19 19 GLU H H 19 8.274 8.274 8.571 -0.297 19425 14707 1 18 . 1 1 20 20 VAL N N 20 118.214 118.214 121.463 -3.249 19425 14708 1 18 . 1 1 20 20 VAL C C 20 176.855 176.855 173.737 3.118 19425 14709 1 18 . 1 1 20 20 VAL CA C 20 59.054 59.054 59.184 -0.130 19425 14710 1 18 . 1 1 20 20 VAL CB C 20 36.780 36.780 36.319 0.461 19425 14711 1 18 . 1 1 20 20 VAL H H 20 9.779 9.779 9.133 0.646 19425 14712 1 18 . 1 1 21 21 VAL N N 21 115.443 115.443 115.825 -0.382 19425 14713 1 18 . 1 1 21 21 VAL C C 21 173.830 173.830 174.258 -0.428 19425 14714 1 18 . 1 1 21 21 VAL CA C 21 60.308 60.308 59.772 0.536 19425 14715 1 18 . 1 1 21 21 VAL CB C 21 34.625 34.625 35.318 -0.693 19425 14716 1 18 . 1 1 21 21 VAL H H 21 8.167 8.167 8.461 -0.294 19425 14717 1 18 . 1 1 22 22 LEU N N 22 128.072 128.072 128.237 -0.165 19425 14718 1 18 . 1 1 22 22 LEU C C 22 174.858 174.858 176.186 -1.328 19425 14719 1 18 . 1 1 22 22 LEU CA C 22 55.656 55.656 54.334 1.322 19425 14720 1 18 . 1 1 22 22 LEU CB C 22 42.545 42.545 42.404 0.141 19425 14721 1 18 . 1 1 22 22 LEU H H 22 10.103 10.103 8.558 1.545 19425 14722 1 18 . 1 1 23 23 GLN N N 23 120.609 120.609 122.970 -2.361 19425 14723 1 18 . 1 1 23 23 GLN C C 23 175.500 175.500 175.070 0.430 19425 14724 1 18 . 1 1 23 23 GLN CA C 23 53.710 53.710 54.176 -0.466 19425 14725 1 18 . 1 1 23 23 GLN CB C 23 33.697 33.697 33.629 0.068 19425 14726 1 18 . 1 1 23 23 GLN H H 23 9.119 9.119 8.735 0.384 19425 14727 1 18 . 1 1 24 24 CYS N N 24 118.659 118.659 118.884 -0.225 19425 14728 1 18 . 1 1 24 24 CYS C C 24 174.443 174.443 173.685 0.758 19425 14729 1 18 . 1 1 24 24 CYS CA C 24 55.261 55.261 55.473 -0.212 19425 14730 1 18 . 1 1 24 24 CYS CB C 24 30.302 30.302 30.613 -0.311 19425 14731 1 18 . 1 1 24 24 CYS H H 24 8.993 8.993 9.157 -0.164 19425 14732 1 18 . 1 1 25 25 THR N N 25 116.266 116.266 120.169 -3.903 19425 14733 1 18 . 1 1 25 25 THR C C 25 172.457 172.457 173.841 -1.384 19425 14734 1 18 . 1 1 25 25 THR CA C 25 61.858 61.858 63.158 -1.300 19425 14735 1 18 . 1 1 25 25 THR CB C 25 70.271 70.271 68.924 1.347 19425 14736 1 18 . 1 1 25 25 THR H H 25 8.480 8.480 8.611 -0.131 19425 14737 1 18 . 1 1 26 26 ALA N N 26 129.739 129.739 131.500 -1.761 19425 14738 1 18 . 1 1 26 26 ALA C C 26 172.717 172.717 175.236 -2.519 19425 14739 1 18 . 1 1 26 26 ALA CA C 26 50.642 50.642 49.956 0.686 19425 14740 1 18 . 1 1 26 26 ALA CB C 26 21.315 21.315 19.830 1.485 19425 14741 1 18 . 1 1 26 26 ALA H H 26 8.590 8.590 8.626 -0.036 19425 14742 1 18 . 1 1 27 27 THR N N 27 116.574 116.574 118.414 -1.840 19425 14743 1 18 . 1 1 27 27 THR C C 27 173.181 173.181 173.824 -0.643 19425 14744 1 18 . 1 1 27 27 THR CA C 27 61.919 61.919 61.225 0.694 19425 14745 1 18 . 1 1 27 27 THR CB C 27 69.696 69.696 70.756 -1.060 19425 14746 1 18 . 1 1 27 27 THR H H 27 8.110 8.110 8.255 -0.145 19425 14747 1 18 . 1 1 28 28 ILE N N 28 126.342 126.342 125.037 1.305 19425 14748 1 18 . 1 1 28 28 ILE C C 28 173.793 173.793 174.493 -0.700 19425 14749 1 18 . 1 1 28 28 ILE CA C 28 60.407 60.407 61.617 -1.210 19425 14750 1 18 . 1 1 28 28 ILE CB C 28 39.536 39.536 40.221 -0.685 19425 14751 1 18 . 1 1 28 28 ILE H H 28 8.483 8.483 8.652 -0.169 19425 14752 1 18 . 1 1 29 29 HIS N N 29 126.364 126.364 124.672 1.692 19425 14753 1 18 . 1 1 29 29 HIS C C 29 175.259 175.259 174.200 1.059 19425 14754 1 18 . 1 1 29 29 HIS CA C 29 57.174 57.174 57.069 0.104 19425 14755 1 18 . 1 1 29 29 HIS CB C 29 28.029 28.029 28.275 -0.246 19425 14756 1 18 . 1 1 29 29 HIS H H 29 9.110 9.110 8.441 0.669 19425 14757 1 18 . 1 1 31 31 GLU N N 31 120.962 120.962 119.315 1.647 19425 14758 1 18 . 1 1 31 31 GLU C C 31 175.575 175.575 174.415 1.160 19425 14759 1 18 . 1 1 31 31 GLU CA C 31 55.394 55.394 55.269 0.126 19425 14760 1 18 . 1 1 31 31 GLU CB C 31 31.576 31.576 32.517 -0.942 19425 14761 1 18 . 1 1 31 31 GLU H H 31 8.047 8.047 7.706 0.341 19425 14762 1 18 . 1 1 32 32 GLN N N 32 123.171 123.171 125.795 -2.624 19425 14763 1 18 . 1 1 32 32 GLN C C 32 175.185 175.185 174.723 0.462 19425 14764 1 18 . 1 1 32 32 GLN CA C 32 54.496 54.496 54.378 0.118 19425 14765 1 18 . 1 1 32 32 GLN CB C 32 30.054 30.054 31.514 -1.460 19425 14766 1 18 . 1 1 32 32 GLN H H 32 8.646 8.646 8.738 -0.092 19425 14767 1 18 . 1 1 33 33 GLN N N 33 123.530 123.530 120.514 3.016 19425 14768 1 18 . 1 1 33 33 GLN C C 33 175.667 175.667 173.507 2.160 19425 14769 1 18 . 1 1 33 33 GLN CA C 33 54.616 54.616 54.698 -0.082 19425 14770 1 18 . 1 1 33 33 GLN CB C 33 31.748 31.748 32.418 -0.670 19425 14771 1 18 . 1 1 33 33 GLN H H 33 8.839 8.839 8.893 -0.054 19425 14772 1 18 . 1 1 34 34 LYS N N 34 124.601 124.601 120.658 3.943 19425 14773 1 18 . 1 1 34 34 LYS C C 34 173.812 173.812 174.846 -1.034 19425 14774 1 18 . 1 1 34 34 LYS CA C 34 55.755 55.755 55.187 0.568 19425 14775 1 18 . 1 1 34 34 LYS CB C 34 32.712 32.712 35.583 -2.871 19425 14776 1 18 . 1 1 34 34 LYS H H 34 8.589 8.589 8.558 0.031 19425 14777 1 18 . 1 1 35 35 LEU N N 35 126.071 126.071 122.649 3.422 19425 14778 1 18 . 1 1 35 35 LEU C C 35 175.445 175.445 175.482 -0.037 19425 14779 1 18 . 1 1 35 35 LEU CA C 35 53.347 53.347 53.005 0.342 19425 14780 1 18 . 1 1 35 35 LEU CB C 35 44.943 44.943 46.062 -1.119 19425 14781 1 18 . 1 1 35 35 LEU H H 35 8.794 8.794 8.443 0.351 19425 14782 1 18 . 1 1 36 36 CYS N N 36 118.373 118.373 121.689 -3.316 19425 14783 1 18 . 1 1 36 36 CYS C C 36 176.057 176.057 174.837 1.220 19425 14784 1 18 . 1 1 36 36 CYS CA C 36 57.174 57.174 57.319 -0.145 19425 14785 1 18 . 1 1 36 36 CYS CB C 36 30.306 30.306 29.334 0.972 19425 14786 1 18 . 1 1 36 36 CYS H H 36 9.042 9.042 8.862 0.180 19425 14787 1 18 . 1 1 37 37 LEU N N 37 129.256 129.256 130.662 -1.406 19425 14788 1 18 . 1 1 37 37 LEU C C 37 174.090 174.090 174.904 -0.814 19425 14789 1 18 . 1 1 37 37 LEU CA C 37 56.349 56.349 55.441 0.908 19425 14790 1 18 . 1 1 37 37 LEU CB C 37 42.689 42.689 41.945 0.744 19425 14791 1 18 . 1 1 37 37 LEU H H 37 8.811 8.811 8.973 -0.162 19425 14792 1 18 . 1 1 38 38 ALA N N 38 127.229 127.229 128.348 -1.119 19425 14793 1 18 . 1 1 38 38 ALA C C 38 174.517 174.517 175.172 -0.655 19425 14794 1 18 . 1 1 38 38 ALA CA C 38 50.609 50.609 49.684 0.926 19425 14795 1 18 . 1 1 38 38 ALA CB C 38 24.141 24.141 21.767 2.374 19425 14796 1 18 . 1 1 38 38 ALA H H 38 8.879 8.879 8.493 0.386 19425 14797 1 18 . 1 1 39 39 ALA N N 39 117.076 117.076 120.135 -3.059 19425 14798 1 18 . 1 1 39 39 ALA C C 39 174.665 174.665 174.690 -0.025 19425 14799 1 18 . 1 1 39 39 ALA CA C 39 51.500 51.500 51.671 -0.171 19425 14800 1 18 . 1 1 39 39 ALA CB C 39 20.996 20.996 21.556 -0.560 19425 14801 1 18 . 1 1 39 39 ALA H H 39 6.837 6.837 7.801 -0.964 19425 14802 1 18 . 1 1 40 40 GLU N N 40 119.966 119.966 119.074 0.892 19425 14803 1 18 . 1 1 40 40 GLU C C 40 176.205 176.205 176.291 -0.086 19425 14804 1 18 . 1 1 40 40 GLU CA C 40 55.950 55.950 54.727 1.223 19425 14805 1 18 . 1 1 40 40 GLU CB C 40 31.836 31.836 32.213 -0.377 19425 14806 1 18 . 1 1 40 40 GLU H H 40 8.413 8.413 8.555 -0.141 19425 14807 1 18 . 1 1 41 41 GLY N N 41 108.646 108.646 108.188 0.458 19425 14808 1 18 . 1 1 41 41 GLY C C 41 176.892 176.892 173.921 2.971 19425 14809 1 18 . 1 1 41 41 GLY CA C 41 45.628 45.628 45.519 0.109 19425 14810 1 18 . 1 1 41 41 GLY H H 41 8.463 8.463 8.956 -0.493 19425 14811 1 18 . 1 1 43 43 GLY N N 43 109.557 109.557 110.308 -0.751 19425 14812 1 18 . 1 1 43 43 GLY C C 43 176.465 176.465 174.867 1.598 19425 14813 1 18 . 1 1 43 43 GLY CA C 43 45.397 45.397 45.442 -0.045 19425 14814 1 18 . 1 1 43 43 GLY H H 43 8.510 8.510 8.859 -0.349 19425 14815 1 18 . 1 1 44 44 ASN N N 44 116.850 116.850 121.916 -5.066 19425 14816 1 18 . 1 1 44 44 ASN C C 44 173.830 173.830 175.296 -1.466 19425 14817 1 18 . 1 1 44 44 ASN CA C 44 54.184 54.184 52.580 1.604 19425 14818 1 18 . 1 1 44 44 ASN CB C 44 38.252 38.252 38.046 0.206 19425 14819 1 18 . 1 1 44 44 ASN H H 44 8.028 8.028 8.681 -0.653 19425 14820 1 18 . 1 1 45 45 ARG N N 45 118.226 118.226 115.836 2.390 19425 14821 1 18 . 1 1 45 45 ARG C C 45 174.072 174.072 174.129 -0.057 19425 14822 1 18 . 1 1 45 45 ARG CA C 45 56.077 56.077 57.165 -1.088 19425 14823 1 18 . 1 1 45 45 ARG CB C 45 31.231 31.231 27.390 3.841 19425 14824 1 18 . 1 1 45 45 ARG H H 45 7.759 7.759 7.440 0.319 19425 14825 1 18 . 1 1 46 46 LEU N N 46 124.643 124.643 118.909 5.734 19425 14826 1 18 . 1 1 46 46 LEU C C 46 176.447 176.447 177.232 -0.785 19425 14827 1 18 . 1 1 46 46 LEU CA C 46 54.667 54.667 53.893 0.774 19425 14828 1 18 . 1 1 46 46 LEU CB C 46 42.605 42.605 42.901 -0.296 19425 14829 1 18 . 1 1 46 46 LEU H H 46 8.695 8.695 7.590 1.105 19425 14830 1 18 . 1 1 47 47 CYS N N 47 119.241 119.241 121.097 -1.856 19425 14831 1 18 . 1 1 47 47 CYS C C 47 176.651 176.651 174.955 1.696 19425 14832 1 18 . 1 1 47 47 CYS CA C 47 55.885 55.885 60.689 -4.804 19425 14833 1 18 . 1 1 47 47 CYS CB C 47 31.112 31.112 27.317 3.795 19425 14834 1 18 . 1 1 47 47 CYS H H 47 9.007 9.007 8.546 0.461 19425 14835 1 18 . 1 1 48 48 PHE N N 48 114.081 114.081 118.451 -4.370 19425 14836 1 18 . 1 1 48 48 PHE C C 48 170.342 170.342 173.002 -2.660 19425 14837 1 18 . 1 1 48 48 PHE CA C 48 57.405 57.405 55.722 1.683 19425 14838 1 18 . 1 1 48 48 PHE CB C 48 43.263 43.263 40.183 3.080 19425 14839 1 18 . 1 1 48 48 PHE H H 48 8.647 8.647 8.539 0.108 19425 14840 1 18 . 1 1 49 49 LEU N N 49 122.287 122.287 119.159 3.128 19425 14841 1 18 . 1 1 49 49 LEU C C 49 176.236 176.236 176.164 0.072 19425 14842 1 18 . 1 1 49 49 LEU CA C 49 53.285 53.285 53.791 -0.506 19425 14843 1 18 . 1 1 49 49 LEU CB C 49 42.907 42.907 45.384 -2.477 19425 14844 1 18 . 1 1 49 49 LEU H H 49 9.108 9.108 8.834 0.274 19425 14845 1 18 . 1 1 50 50 GLU N N 50 123.206 123.206 122.327 0.879 19425 14846 1 18 . 1 1 50 50 GLU C C 50 177.671 177.671 175.158 2.513 19425 14847 1 18 . 1 1 50 50 GLU CA C 50 57.084 57.084 54.776 2.308 19425 14848 1 18 . 1 1 50 50 GLU CB C 50 30.123 30.123 33.452 -3.329 19425 14849 1 18 . 1 1 50 50 GLU H H 50 8.834 8.834 8.545 0.289 19425 14850 1 18 . 1 1 51 51 SER N N 51 118.500 118.500 119.882 -1.382 19425 14851 1 18 . 1 1 51 51 SER C C 51 176.706 176.706 174.985 1.721 19425 14852 1 18 . 1 1 51 51 SER CA C 51 58.560 58.560 58.222 0.338 19425 14853 1 18 . 1 1 51 51 SER CB C 51 63.979 63.979 64.352 -0.373 19425 14854 1 18 . 1 1 51 51 SER H H 51 8.461 8.461 8.823 -0.362 19425 14855 1 18 . 1 1 52 52 THR N N 52 116.205 116.205 119.070 -2.865 19425 14856 1 18 . 1 1 52 52 THR C C 52 174.808 174.808 175.329 -0.521 19425 14857 1 18 . 1 1 52 52 THR CA C 52 61.891 61.891 60.485 1.406 19425 14858 1 18 . 1 1 52 52 THR CB C 52 70.076 70.076 70.833 -0.757 19425 14859 1 18 . 1 1 52 52 THR H H 52 8.199 8.199 8.249 -0.050 19425 14860 1 18 . 1 1 65 65 CYS N N 65 117.553 117.553 119.578 -2.025 19425 14861 1 18 . 1 1 65 65 CYS C C 65 176.948 176.948 174.230 2.718 19425 14862 1 18 . 1 1 65 65 CYS CA C 65 57.900 57.900 56.537 1.363 19425 14863 1 18 . 1 1 65 65 CYS CB C 65 30.290 30.290 27.285 3.005 19425 14864 1 18 . 1 1 65 65 CYS H H 65 7.539 7.539 7.700 -0.161 19425 14865 1 18 . 1 1 66 66 THR N N 66 113.614 113.614 119.912 -6.298 19425 14866 1 18 . 1 1 66 66 THR C C 66 180.325 180.325 173.496 6.829 19425 14867 1 18 . 1 1 66 66 THR CA C 66 63.399 63.399 64.308 -0.909 19425 14868 1 18 . 1 1 66 66 THR CB C 66 69.281 69.281 68.564 0.717 19425 14869 1 18 . 1 1 66 66 THR H H 66 6.851 6.851 7.211 -0.360 19425 14870 1 18 . 1 1 67 67 PHE N N 67 126.248 126.248 126.201 0.047 19425 14871 1 18 . 1 1 67 67 PHE C C 67 174.424 174.424 174.255 0.169 19425 14872 1 18 . 1 1 67 67 PHE CA C 67 56.184 56.184 56.590 -0.406 19425 14873 1 18 . 1 1 67 67 PHE CB C 67 43.291 43.291 44.241 -0.950 19425 14874 1 18 . 1 1 67 67 PHE H H 67 9.603 9.603 9.324 0.279 19425 14875 1 18 . 1 1 68 68 VAL N N 68 121.310 121.310 118.832 2.478 19425 14876 1 18 . 1 1 68 68 VAL C C 68 173.719 173.719 175.516 -1.797 19425 14877 1 18 . 1 1 68 68 VAL CA C 68 60.935 60.935 60.670 0.265 19425 14878 1 18 . 1 1 68 68 VAL CB C 68 34.522 34.522 34.413 0.109 19425 14879 1 18 . 1 1 68 68 VAL H H 68 9.968 9.968 8.641 1.327 19425 14880 1 18 . 1 1 69 69 LEU N N 69 127.011 127.011 128.643 -1.632 19425 14881 1 18 . 1 1 69 69 LEU C C 69 177.152 177.152 177.946 -0.794 19425 14882 1 18 . 1 1 69 69 LEU CA C 69 53.083 53.083 54.560 -1.478 19425 14883 1 18 . 1 1 69 69 LEU CB C 69 39.652 39.652 39.374 0.278 19425 14884 1 18 . 1 1 69 69 LEU H H 69 8.135 8.135 8.586 -0.451 19425 14885 1 18 . 1 1 70 70 GLU N N 70 129.683 129.683 121.513 8.170 19425 14886 1 18 . 1 1 70 70 GLU C C 70 174.869 174.869 177.098 -2.229 19425 14887 1 18 . 1 1 70 70 GLU CA C 70 59.747 59.747 59.167 0.580 19425 14888 1 18 . 1 1 70 70 GLU CB C 70 31.291 31.291 30.003 1.288 19425 14889 1 18 . 1 1 70 70 GLU H H 70 8.654 8.654 8.368 0.286 19425 14890 1 18 . 1 1 71 71 GLN N N 71 110.287 110.287 117.062 -6.775 19425 14891 1 18 . 1 1 71 71 GLN C C 71 176.094 176.094 175.023 1.071 19425 14892 1 18 . 1 1 71 71 GLN CA C 71 54.030 54.030 54.492 -0.462 19425 14893 1 18 . 1 1 71 71 GLN CB C 71 33.112 33.112 32.756 0.356 19425 14894 1 18 . 1 1 71 71 GLN H H 71 7.318 7.318 7.619 -0.301 19425 14895 1 18 . 1 1 72 72 SER N N 72 116.205 116.205 117.451 -1.246 19425 14896 1 18 . 1 1 72 72 SER C C 72 174.035 174.035 173.454 0.581 19425 14897 1 18 . 1 1 72 72 SER CA C 72 58.132 58.132 58.201 -0.069 19425 14898 1 18 . 1 1 72 72 SER CB C 72 64.295 64.295 63.412 0.883 19425 14899 1 18 . 1 1 72 72 SER H H 72 8.380 8.380 8.807 -0.427 19425 14900 1 18 . 1 1 73 73 LEU N N 73 127.858 127.858 126.110 1.748 19425 14901 1 18 . 1 1 73 73 LEU C C 73 173.701 173.701 175.772 -2.071 19425 14902 1 18 . 1 1 73 73 LEU CA C 73 53.347 53.347 53.183 0.164 19425 14903 1 18 . 1 1 73 73 LEU CB C 73 45.926 45.926 45.589 0.337 19425 14904 1 18 . 1 1 73 73 LEU H H 73 9.532 9.532 8.918 0.614 19425 14905 1 18 . 1 1 74 74 SER N N 74 115.724 115.724 115.154 0.570 19425 14906 1 18 . 1 1 74 74 SER C C 74 177.541 177.541 175.795 1.746 19425 14907 1 18 . 1 1 74 74 SER CA C 74 57.905 57.905 58.201 -0.296 19425 14908 1 18 . 1 1 74 74 SER CB C 74 63.901 63.901 63.712 0.189 19425 14909 1 18 . 1 1 74 74 SER H H 74 8.240 8.240 8.133 0.107 19425 14910 1 18 . 1 1 75 75 VAL N N 75 122.994 122.994 124.344 -1.350 19425 14911 1 18 . 1 1 75 75 VAL C C 75 174.610 174.610 177.441 -2.831 19425 14912 1 18 . 1 1 75 75 VAL CA C 75 67.104 67.104 66.956 0.148 19425 14913 1 18 . 1 1 75 75 VAL CB C 75 30.953 30.953 31.216 -0.263 19425 14914 1 18 . 1 1 75 75 VAL H H 75 9.056 9.056 8.545 0.511 19425 14915 1 18 . 1 1 76 76 ARG N N 76 119.193 119.193 119.482 -0.289 19425 14916 1 18 . 1 1 76 76 ARG C C 76 178.228 178.228 177.811 0.417 19425 14917 1 18 . 1 1 76 76 ARG CA C 76 59.087 59.087 59.341 -0.254 19425 14918 1 18 . 1 1 76 76 ARG CB C 76 29.280 29.280 29.596 -0.316 19425 14919 1 18 . 1 1 76 76 ARG H H 76 8.137 8.137 8.115 0.022 19425 14920 1 18 . 1 1 77 77 ALA N N 77 122.977 122.977 121.786 1.191 19425 14921 1 18 . 1 1 77 77 ALA C C 77 178.506 178.506 179.664 -1.158 19425 14922 1 18 . 1 1 77 77 ALA CA C 77 54.926 54.926 54.710 0.216 19425 14923 1 18 . 1 1 77 77 ALA CB C 77 18.231 18.231 18.105 0.127 19425 14924 1 18 . 1 1 77 77 ALA H H 77 7.699 7.699 7.470 0.229 19425 14925 1 18 . 1 1 78 78 LEU N N 78 121.115 121.115 120.148 0.967 19425 14926 1 18 . 1 1 78 78 LEU C C 78 180.640 180.640 178.373 2.267 19425 14927 1 18 . 1 1 78 78 LEU CA C 78 57.985 57.985 57.398 0.587 19425 14928 1 18 . 1 1 78 78 LEU CB C 78 40.522 40.522 41.313 -0.791 19425 14929 1 18 . 1 1 78 78 LEU H H 78 8.303 8.303 8.279 0.024 19425 14930 1 18 . 1 1 79 79 GLN N N 79 116.873 116.873 117.434 -0.561 19425 14931 1 18 . 1 1 79 79 GLN C C 79 177.875 177.875 178.354 -0.479 19425 14932 1 18 . 1 1 79 79 GLN CA C 79 59.069 59.069 59.133 -0.064 19425 14933 1 18 . 1 1 79 79 GLN CB C 79 27.254 27.254 28.354 -1.100 19425 14934 1 18 . 1 1 79 79 GLN H H 79 8.390 8.390 8.237 0.153 19425 14935 1 18 . 1 1 80 80 GLU N N 80 120.455 120.455 120.974 -0.519 19425 14936 1 18 . 1 1 80 80 GLU C C 80 179.749 179.749 178.855 0.894 19425 14937 1 18 . 1 1 80 80 GLU CA C 80 59.413 59.413 59.303 0.110 19425 14938 1 18 . 1 1 80 80 GLU CB C 80 29.142 29.142 29.456 -0.314 19425 14939 1 18 . 1 1 80 80 GLU H H 80 7.942 7.942 7.866 0.076 19425 14940 1 18 . 1 1 81 81 MET N N 81 120.541 120.541 118.353 2.188 19425 14941 1 18 . 1 1 81 81 MET C C 81 178.599 178.599 178.944 -0.345 19425 14942 1 18 . 1 1 81 81 MET CA C 81 59.665 59.665 59.257 0.408 19425 14943 1 18 . 1 1 81 81 MET CB C 81 32.534 32.534 32.858 -0.324 19425 14944 1 18 . 1 1 81 81 MET H H 81 7.870 7.870 7.983 -0.113 19425 14945 1 18 . 1 1 82 82 LEU N N 82 119.662 119.662 118.796 0.866 19425 14946 1 18 . 1 1 82 82 LEU C C 82 179.638 179.638 179.100 0.538 19425 14947 1 18 . 1 1 82 82 LEU CA C 82 57.669 57.669 57.084 0.585 19425 14948 1 18 . 1 1 82 82 LEU CB C 82 40.783 40.783 41.761 -0.978 19425 14949 1 18 . 1 1 82 82 LEU H H 82 8.488 8.488 8.001 0.487 19425 14950 1 18 . 1 1 83 83 ALA N N 83 120.827 120.827 120.961 -0.134 19425 14951 1 18 . 1 1 83 83 ALA C C 83 179.323 179.323 179.479 -0.156 19425 14952 1 18 . 1 1 83 83 ALA CA C 83 54.073 54.073 54.465 -0.392 19425 14953 1 18 . 1 1 83 83 ALA CB C 83 18.326 18.326 18.775 -0.449 19425 14954 1 18 . 1 1 83 83 ALA H H 83 7.704 7.704 7.936 -0.232 19425 14955 1 18 . 1 1 84 84 ASN N N 84 115.853 115.853 115.895 -0.042 19425 14956 1 18 . 1 1 84 84 ASN C C 84 178.944 178.944 176.976 1.968 19425 14957 1 18 . 1 1 84 84 ASN CA C 84 54.167 54.167 55.280 -1.113 19425 14958 1 18 . 1 1 84 84 ASN CB C 84 39.465 39.465 38.901 0.564 19425 14959 1 18 . 1 1 84 84 ASN H H 84 7.729 7.729 8.000 -0.271 19425 14960 1 18 . 1 1 85 85 THR N N 85 112.611 112.611 109.845 2.766 19425 14961 1 18 . 1 1 85 85 THR C C 85 175.569 175.569 174.890 0.679 19425 14962 1 18 . 1 1 85 85 THR CA C 85 63.086 63.086 63.660 -0.574 19425 14963 1 18 . 1 1 85 85 THR CB C 85 70.071 70.071 68.623 1.448 19425 14964 1 18 . 1 1 85 85 THR H H 85 7.698 7.698 7.516 0.182 19425 14965 1 18 . 1 1 86 86 VAL N N 86 121.812 121.812 120.810 1.002 19425 14966 1 18 . 1 1 86 86 VAL C C 86 174.573 174.573 175.593 -1.020 19425 14967 1 18 . 1 1 86 86 VAL CA C 86 62.811 62.811 63.745 -0.934 19425 14968 1 18 . 1 1 86 86 VAL CB C 86 32.730 32.730 32.420 0.310 19425 14969 1 18 . 1 1 86 86 VAL H H 86 7.874 7.874 7.433 0.441 19425 14970 1 18 . 1 1 87 87 GLU N N 87 124.330 124.330 119.542 4.788 19425 14971 1 18 . 1 1 87 87 GLU C C 87 176.280 176.280 175.293 0.987 19425 14972 1 18 . 1 1 87 87 GLU CA C 87 56.877 56.877 54.431 2.446 19425 14973 1 18 . 1 1 87 87 GLU CB C 87 29.852 29.852 31.251 -1.399 19425 14974 1 18 . 1 1 87 87 GLU H H 87 8.403 8.403 7.570 0.833 19425 14975 1 18 . 1 1 88 88 LYS N N 88 122.065 122.065 122.455 -0.390 19425 14976 1 18 . 1 1 88 88 LYS C C 88 176.966 176.966 175.763 1.203 19425 14977 1 18 . 1 1 88 88 LYS CA C 88 56.799 56.799 56.502 0.297 19425 14978 1 18 . 1 1 88 88 LYS CB C 88 32.597 32.597 31.770 0.827 19425 14979 1 18 . 1 1 88 88 LYS H H 88 8.330 8.330 8.479 -0.148 19425 14980 1 18 . 1 1 89 89 SER N N 89 116.192 116.192 121.573 -5.381 19425 14981 1 18 . 1 1 89 89 SER C C 89 176.865 176.865 173.848 3.017 19425 14982 1 18 . 1 1 89 89 SER CA C 89 59.008 59.008 58.344 0.664 19425 14983 1 18 . 1 1 89 89 SER CB C 89 63.765 63.765 65.431 -1.666 19425 14984 1 18 . 1 1 89 89 SER H H 89 8.247 8.247 8.316 -0.069 19425 14985 1 18 . 1 1 90 90 GLU N N 90 122.006 122.006 125.633 -3.627 19425 14986 1 18 . 1 1 90 90 GLU C C 90 174.702 174.702 176.523 -1.821 19425 14987 1 18 . 1 1 90 90 GLU CA C 90 57.231 57.231 57.858 -0.627 19425 14988 1 18 . 1 1 90 90 GLU CB C 90 29.442 29.442 29.038 0.404 19425 14989 1 18 . 1 1 90 90 GLU H H 90 8.560 8.560 9.025 -0.465 19425 14990 1 18 . 1 1 91 91 GLY N N 91 110.052 110.052 110.447 -0.395 19425 14991 1 18 . 1 1 91 91 GLY C C 91 177.170 177.170 173.641 3.529 19425 14992 1 18 . 1 1 91 91 GLY CA C 91 45.634 45.634 45.020 0.614 19425 14993 1 18 . 1 1 91 91 GLY H H 91 8.358 8.358 8.349 0.009 19425 14994 1 18 . 1 1 92 92 GLN N N 92 120.053 120.053 119.633 0.420 19425 14995 1 18 . 1 1 92 92 GLN C C 92 173.905 173.905 175.491 -1.586 19425 14996 1 18 . 1 1 92 92 GLN CA C 92 55.261 55.261 56.348 -1.087 19425 14997 1 18 . 1 1 92 92 GLN CB C 92 29.573 29.573 28.569 1.004 19425 14998 1 18 . 1 1 92 92 GLN H H 92 8.075 8.075 7.973 0.102 19425 14999 1 18 . 1 1 93 93 VAL N N 93 123.434 123.434 122.380 1.054 19425 15000 1 18 . 1 1 93 93 VAL C C 93 175.667 175.667 174.671 0.996 19425 15001 1 18 . 1 1 93 93 VAL CA C 93 62.914 62.914 59.371 3.543 19425 15002 1 18 . 1 1 93 93 VAL CB C 93 32.629 32.629 35.000 -2.371 19425 15003 1 18 . 1 1 93 93 VAL H H 93 8.370 8.370 7.888 0.482 19425 15004 1 18 . 1 1 94 94 ASP N N 94 125.761 125.761 123.022 2.739 19425 15005 1 18 . 1 1 94 94 ASP C C 94 175.704 175.704 176.158 -0.454 19425 15006 1 18 . 1 1 94 94 ASP CA C 94 53.743 53.743 54.660 -0.917 19425 15007 1 18 . 1 1 94 94 ASP CB C 94 40.771 40.771 39.374 1.397 19425 15008 1 18 . 1 1 94 94 ASP H H 94 8.550 8.550 8.413 0.137 19425 15009 1 18 . 1 1 95 95 VAL N N 95 125.064 125.064 116.413 8.651 19425 15010 1 18 . 1 1 95 95 VAL C C 95 176.465 176.465 176.456 0.009 19425 15011 1 18 . 1 1 95 95 VAL CA C 95 65.487 65.487 63.474 2.013 19425 15012 1 18 . 1 1 95 95 VAL CB C 95 31.773 31.773 31.473 0.300 19425 15013 1 18 . 1 1 95 95 VAL H H 95 8.300 8.300 7.653 0.647 19425 15014 1 18 . 1 1 96 96 GLU N N 96 120.880 120.880 122.592 -1.712 19425 15015 1 18 . 1 1 96 96 GLU C C 96 177.523 177.523 178.292 -0.769 19425 15016 1 18 . 1 1 96 96 GLU CA C 96 59.157 59.157 59.168 -0.011 19425 15017 1 18 . 1 1 96 96 GLU CB C 96 28.575 28.575 29.310 -0.735 19425 15018 1 18 . 1 1 96 96 GLU H H 96 8.297 8.297 8.675 -0.378 19425 15019 1 18 . 1 1 97 97 LYS N N 97 121.943 121.943 119.575 2.368 19425 15020 1 18 . 1 1 97 97 LYS C C 97 179.434 179.434 178.655 0.779 19425 15021 1 18 . 1 1 97 97 LYS CA C 97 59.186 59.186 58.664 0.522 19425 15022 1 18 . 1 1 97 97 LYS CB C 97 32.036 32.036 31.938 0.098 19425 15023 1 18 . 1 1 97 97 LYS H H 97 7.979 7.979 8.215 -0.236 19425 15024 1 18 . 1 1 98 98 TRP N N 98 121.420 121.420 121.284 0.136 19425 15025 1 18 . 1 1 98 98 TRP C C 98 178.673 178.673 178.305 0.368 19425 15026 1 18 . 1 1 98 98 TRP CA C 98 60.176 60.176 59.887 0.289 19425 15027 1 18 . 1 1 98 98 TRP CB C 98 29.340 29.340 28.910 0.430 19425 15028 1 18 . 1 1 98 98 TRP H H 98 8.202 8.202 8.331 -0.129 19425 15029 1 18 . 1 1 99 99 LYS N N 99 118.236 118.236 118.543 -0.307 19425 15030 1 18 . 1 1 99 99 LYS C C 99 177.374 177.374 178.874 -1.500 19425 15031 1 18 . 1 1 99 99 LYS CA C 99 59.812 59.812 59.565 0.247 19425 15032 1 18 . 1 1 99 99 LYS CB C 99 32.042 32.042 31.939 0.102 19425 15033 1 18 . 1 1 99 99 LYS H H 99 8.346 8.346 8.512 -0.166 19425 15034 1 18 . 1 1 100 100 PHE N N 100 120.365 120.365 120.903 -0.538 19425 15035 1 18 . 1 1 100 100 PHE C C 100 179.193 179.193 177.236 1.957 19425 15036 1 18 . 1 1 100 100 PHE CA C 100 60.902 60.902 61.178 -0.276 19425 15037 1 18 . 1 1 100 100 PHE CB C 100 38.875 38.875 39.446 -0.571 19425 15038 1 18 . 1 1 100 100 PHE H H 100 7.916 7.916 7.750 0.166 19425 15039 1 18 . 1 1 101 101 MET N N 101 121.837 121.837 120.750 1.087 19425 15040 1 18 . 1 1 101 101 MET C C 101 178.172 178.172 178.353 -0.181 19425 15041 1 18 . 1 1 101 101 MET CA C 101 58.625 58.625 59.099 -0.474 19425 15042 1 18 . 1 1 101 101 MET CB C 101 32.081 32.081 32.975 -0.894 19425 15043 1 18 . 1 1 101 101 MET H H 101 8.393 8.393 8.198 0.195 19425 15044 1 18 . 1 1 102 102 MET N N 102 119.901 119.901 117.741 2.160 19425 15045 1 18 . 1 1 102 102 MET C C 102 178.655 178.655 178.393 0.262 19425 15046 1 18 . 1 1 102 102 MET CA C 102 57.867 57.867 57.565 0.302 19425 15047 1 18 . 1 1 102 102 MET CB C 102 32.414 32.414 31.323 1.091 19425 15048 1 18 . 1 1 102 102 MET H H 102 8.174 8.174 8.707 -0.533 19425 15049 1 18 . 1 1 103 103 LYS N N 103 120.555 120.555 120.655 -0.100 19425 15050 1 18 . 1 1 103 103 LYS C C 103 177.857 177.857 178.680 -0.823 19425 15051 1 18 . 1 1 103 103 LYS CA C 103 58.592 58.592 59.158 -0.566 19425 15052 1 18 . 1 1 103 103 LYS CB C 103 31.816 31.816 31.754 0.062 19425 15053 1 18 . 1 1 103 103 LYS H H 103 7.899 7.899 8.012 -0.113 19425 15054 1 18 . 1 1 104 104 THR N N 104 115.450 115.450 114.879 0.571 19425 15055 1 18 . 1 1 104 104 THR C C 104 179.267 179.267 176.823 2.444 19425 15056 1 18 . 1 1 104 104 THR CA C 104 64.914 64.914 66.379 -1.465 19425 15057 1 18 . 1 1 104 104 THR CB C 104 69.103 69.103 68.651 0.452 19425 15058 1 18 . 1 1 104 104 THR H H 104 7.895 7.895 8.088 -0.193 19425 15059 1 18 . 1 1 105 105 ALA N N 105 124.862 124.862 124.821 0.041 19425 15060 1 18 . 1 1 105 105 ALA C C 105 176.057 176.057 179.643 -3.586 19425 15061 1 18 . 1 1 105 105 ALA CA C 105 54.106 54.106 54.938 -0.832 19425 15062 1 18 . 1 1 105 105 ALA CB C 105 18.493 18.493 18.292 0.201 19425 15063 1 18 . 1 1 105 105 ALA H H 105 7.896 7.896 7.969 -0.073 19425 15064 1 18 . 1 1 106 106 GLN N N 106 117.285 117.285 116.418 0.867 19425 15065 1 18 . 1 1 106 106 GLN C C 106 178.655 178.655 178.646 0.009 19425 15066 1 18 . 1 1 106 106 GLN CA C 106 56.913 56.913 57.889 -0.976 19425 15067 1 18 . 1 1 106 106 GLN CB C 106 29.148 29.148 28.847 0.301 19425 15068 1 18 . 1 1 106 106 GLN H H 106 7.944 7.944 8.201 -0.257 19425 15069 1 18 . 1 1 107 107 GLY N N 107 107.494 107.494 105.873 1.621 19425 15070 1 18 . 1 1 107 107 GLY C C 107 177.597 177.597 174.789 2.808 19425 15071 1 18 . 1 1 107 107 GLY CA C 107 45.975 45.975 45.367 0.608 19425 15072 1 18 . 1 1 107 107 GLY H H 107 7.852 7.852 7.853 -0.001 19425 15073 1 18 . 1 1 108 108 GLY N N 108 109.642 109.642 109.620 0.022 19425 15074 1 18 . 1 1 108 108 GLY C C 108 174.740 174.740 174.382 0.358 19425 15075 1 18 . 1 1 108 108 GLY CA C 108 45.151 45.151 45.609 -0.458 19425 15076 1 18 . 1 1 108 108 GLY H H 108 8.313 8.313 7.900 0.413 19425 15077 1 18 . 1 1 109 109 GLY N N 109 108.058 108.058 109.128 -1.070 19425 15078 1 18 . 1 1 109 109 GLY C C 109 174.313 174.313 174.705 -0.392 19425 15079 1 18 . 1 1 109 109 GLY CA C 109 44.659 44.659 45.050 -0.391 19425 15080 1 18 . 1 1 109 109 GLY H H 109 8.059 8.059 8.619 -0.560 19425 15081 1 18 . 1 1 110 110 HIS N N 110 118.432 118.432 120.136 -1.704 19425 15082 1 18 . 1 1 110 110 HIS C C 110 173.348 173.348 174.610 -1.262 19425 15083 1 18 . 1 1 110 110 HIS CA C 110 55.590 55.590 55.742 -0.152 19425 15084 1 18 . 1 1 110 110 HIS CB C 110 28.502 28.502 31.548 -3.046 19425 15085 1 18 . 1 1 110 110 HIS H H 110 8.261 8.261 7.939 0.322 19425 15086 1 18 . 1 1 111 111 ARG N N 111 122.052 122.052 120.302 1.750 19425 15087 1 18 . 1 1 111 111 ARG C C 111 174.908 174.908 175.300 -0.392 19425 15088 1 18 . 1 1 111 111 ARG CA C 111 55.233 55.233 55.449 -0.216 19425 15089 1 18 . 1 1 111 111 ARG CB C 111 31.125 31.125 33.015 -1.890 19425 15090 1 18 . 1 1 111 111 ARG H H 111 8.597 8.597 8.790 -0.193 19425 15091 1 18 . 1 1 112 112 THR N N 112 120.248 120.248 118.458 1.790 19425 15092 1 18 . 1 1 112 112 THR C C 112 176.447 176.447 174.733 1.714 19425 15093 1 18 . 1 1 112 112 THR CA C 112 63.723 63.723 63.390 0.333 19425 15094 1 18 . 1 1 112 112 THR CB C 112 68.984 68.984 69.427 -0.443 19425 15095 1 18 . 1 1 112 112 THR H H 112 8.577 8.577 8.398 0.179 19425 15096 1 18 . 1 1 113 113 LEU N N 113 130.382 130.382 126.246 4.136 19425 15097 1 18 . 1 1 113 113 LEU C C 113 174.294 174.294 175.566 -1.272 19425 15098 1 18 . 1 1 113 113 LEU CA C 113 56.791 56.791 54.945 1.846 19425 15099 1 18 . 1 1 113 113 LEU CB C 113 41.705 41.705 42.663 -0.958 19425 15100 1 18 . 1 1 113 113 LEU H H 113 8.515 8.515 8.812 -0.297 19425 15101 1 18 . 1 1 114 114 LEU N N 114 118.829 118.829 121.916 -3.087 19425 15102 1 18 . 1 1 114 114 LEU C C 114 175.278 175.278 176.551 -1.273 19425 15103 1 18 . 1 1 114 114 LEU CA C 114 51.667 51.667 52.556 -0.889 19425 15104 1 18 . 1 1 114 114 LEU CB C 114 42.454 42.454 44.352 -1.899 19425 15105 1 18 . 1 1 114 114 LEU H H 114 6.454 6.454 8.158 -1.704 19425 15106 1 18 . 1 1 115 115 TYR N N 115 119.059 119.059 121.452 -2.393 19425 15107 1 18 . 1 1 115 115 TYR C C 115 177.152 177.152 177.343 -0.191 19425 15108 1 18 . 1 1 115 115 TYR CA C 115 62.452 62.452 60.697 1.755 19425 15109 1 18 . 1 1 115 115 TYR CB C 115 38.058 38.058 37.907 0.151 19425 15110 1 18 . 1 1 115 115 TYR H H 115 8.797 8.797 8.705 0.092 19425 15111 1 18 . 1 1 116 116 GLY N N 116 115.795 115.795 113.479 2.316 19425 15112 1 18 . 1 1 116 116 GLY C C 116 178.061 178.061 173.849 4.212 19425 15113 1 18 . 1 1 116 116 GLY CA C 116 45.100 45.100 45.107 -0.007 19425 15114 1 18 . 1 1 116 116 GLY H H 116 9.672 9.672 9.118 0.554 19425 15115 1 18 . 1 1 117 117 HIS N N 117 122.193 122.193 121.473 0.720 19425 15116 1 18 . 1 1 117 117 HIS C C 117 175.463 175.463 173.805 1.658 19425 15117 1 18 . 1 1 117 117 HIS CA C 117 56.119 56.119 55.504 0.615 19425 15118 1 18 . 1 1 117 117 HIS CB C 117 32.293 32.293 30.411 1.882 19425 15119 1 18 . 1 1 117 117 HIS H H 117 8.113 8.113 7.879 0.234 19425 15120 1 18 . 1 1 118 118 ALA N N 118 120.893 120.893 126.896 -6.003 19425 15121 1 18 . 1 1 118 118 ALA C C 118 173.775 173.775 176.128 -2.353 19425 15122 1 18 . 1 1 118 118 ALA CA C 118 50.378 50.378 51.454 -1.076 19425 15123 1 18 . 1 1 118 118 ALA CB C 118 21.646 21.646 19.579 2.067 19425 15124 1 18 . 1 1 118 118 ALA H H 118 9.458 9.458 8.882 0.576 19425 15125 1 18 . 1 1 120 120 LEU N N 120 119.631 119.631 124.369 -4.738 19425 15126 1 18 . 1 1 120 120 LEU C C 120 173.367 173.367 174.775 -1.408 19425 15127 1 18 . 1 1 120 120 LEU CA C 120 56.217 56.217 52.869 3.348 19425 15128 1 18 . 1 1 120 120 LEU CB C 120 39.519 39.519 43.840 -4.321 19425 15129 1 18 . 1 1 120 120 LEU H H 120 8.746 8.746 8.222 0.524 19425 15130 1 18 . 1 1 121 121 LEU N N 121 118.900 118.900 127.037 -8.137 19425 15131 1 18 . 1 1 121 121 LEU C C 121 171.400 171.400 175.774 -4.374 19425 15132 1 18 . 1 1 121 121 LEU CA C 121 52.852 52.852 53.727 -0.875 19425 15133 1 18 . 1 1 121 121 LEU CB C 121 43.452 43.452 42.744 0.708 19425 15134 1 18 . 1 1 121 121 LEU H H 121 8.590 8.590 8.588 0.002 19425 15135 1 18 . 1 1 122 122 ARG N N 122 123.588 123.588 124.900 -1.312 19425 15136 1 18 . 1 1 122 122 ARG C C 122 176.465 176.465 175.440 1.025 19425 15137 1 18 . 1 1 122 122 ARG CA C 122 54.403 54.403 53.951 0.452 19425 15138 1 18 . 1 1 122 122 ARG CB C 122 32.897 32.897 31.812 1.085 19425 15139 1 18 . 1 1 122 122 ARG H H 122 9.077 9.077 8.764 0.313 19425 15140 1 18 . 1 1 123 123 HIS N N 123 131.440 131.440 127.547 3.893 19425 15141 1 18 . 1 1 123 123 HIS C C 123 175.704 175.704 175.514 0.190 19425 15142 1 18 . 1 1 123 123 HIS CA C 123 56.637 56.637 56.753 -0.116 19425 15143 1 18 . 1 1 123 123 HIS CB C 123 31.261 31.261 29.954 1.307 19425 15144 1 18 . 1 1 123 123 HIS H H 123 9.622 9.622 8.451 1.171 19425 15145 1 18 . 1 1 124 124 SER N N 124 127.024 127.024 125.300 1.724 19425 15146 1 18 . 1 1 124 124 SER C C 124 175.686 175.686 175.550 0.136 19425 15147 1 18 . 1 1 124 124 SER CA C 124 62.010 62.010 61.400 0.610 19425 15148 1 18 . 1 1 124 124 SER CB C 124 62.912 62.912 62.877 0.035 19425 15149 1 18 . 1 1 124 124 SER H H 124 7.840 7.840 7.846 -0.006 19425 15150 1 18 . 1 1 125 125 TYR N N 125 119.708 119.708 120.641 -0.933 19425 15151 1 18 . 1 1 125 125 TYR C C 125 180.696 180.696 176.927 3.769 19425 15152 1 18 . 1 1 125 125 TYR CA C 125 60.903 60.903 61.067 -0.164 19425 15153 1 18 . 1 1 125 125 TYR CB C 125 38.744 38.744 38.442 0.302 19425 15154 1 18 . 1 1 125 125 TYR H H 125 8.746 8.746 7.585 1.161 19425 15155 1 18 . 1 1 126 126 SER N N 126 110.333 110.333 113.368 -3.035 19425 15156 1 18 . 1 1 126 126 SER C C 126 176.543 176.543 176.224 0.319 19425 15157 1 18 . 1 1 126 126 SER CA C 126 59.366 59.366 59.784 -0.418 19425 15158 1 18 . 1 1 126 126 SER CB C 126 65.282 65.282 64.251 1.030 19425 15159 1 18 . 1 1 126 126 SER H H 126 7.004 7.004 8.168 -1.164 19425 15160 1 18 . 1 1 127 127 GLY N N 127 113.322 113.322 110.727 2.595 19425 15161 1 18 . 1 1 127 127 GLY C C 127 176.428 176.428 174.270 2.158 19425 15162 1 18 . 1 1 127 127 GLY CA C 127 46.064 46.064 45.252 0.812 19425 15163 1 18 . 1 1 127 127 GLY H H 127 8.181 8.181 8.508 -0.327 19425 15164 1 18 . 1 1 128 128 MET N N 128 118.598 118.598 119.049 -0.451 19425 15165 1 18 . 1 1 128 128 MET C C 128 173.200 173.200 175.328 -2.128 19425 15166 1 18 . 1 1 128 128 MET CA C 128 55.429 55.429 56.312 -0.882 19425 15167 1 18 . 1 1 128 128 MET CB C 128 35.988 35.988 34.562 1.426 19425 15168 1 18 . 1 1 128 128 MET H H 128 7.551 7.551 7.431 0.120 19425 15169 1 18 . 1 1 129 129 TYR N N 129 116.715 116.715 114.421 2.294 19425 15170 1 18 . 1 1 129 129 TYR C C 129 172.884 172.884 175.798 -2.914 19425 15171 1 18 . 1 1 129 129 TYR CA C 129 58.658 58.658 57.187 1.471 19425 15172 1 18 . 1 1 129 129 TYR CB C 129 40.914 40.914 41.349 -0.435 19425 15173 1 18 . 1 1 129 129 TYR H H 129 8.923 8.923 8.426 0.497 19425 15174 1 18 . 1 1 130 130 LEU N N 130 123.061 123.061 124.671 -1.610 19425 15175 1 18 . 1 1 130 130 LEU C C 130 176.677 176.677 176.399 0.278 19425 15176 1 18 . 1 1 130 130 LEU CA C 130 56.311 56.311 56.246 0.065 19425 15177 1 18 . 1 1 130 130 LEU CB C 130 42.909 42.909 42.382 0.527 19425 15178 1 18 . 1 1 130 130 LEU H H 130 8.236 8.236 8.918 -0.682 19425 15179 1 18 . 1 1 131 131 CYS N N 131 126.618 126.618 127.362 -0.744 19425 15180 1 18 . 1 1 131 131 CYS C C 131 177.616 177.616 173.188 4.428 19425 15181 1 18 . 1 1 131 131 CYS CA C 131 57.028 57.028 56.694 0.334 19425 15182 1 18 . 1 1 131 131 CYS CB C 131 32.339 32.339 30.625 1.714 19425 15183 1 18 . 1 1 131 131 CYS H H 131 9.516 9.516 9.504 0.012 19425 15184 1 18 . 1 1 132 132 CYS N N 132 124.860 124.860 127.556 -2.696 19425 15185 1 18 . 1 1 132 132 CYS C C 132 172.309 172.309 174.274 -1.965 19425 15186 1 18 . 1 1 132 132 CYS CA C 132 59.436 59.436 58.326 1.110 19425 15187 1 18 . 1 1 132 132 CYS CB C 132 27.383 27.383 26.894 0.489 19425 15188 1 18 . 1 1 132 132 CYS H H 132 8.142 8.142 8.273 -0.131 19425 15189 1 18 . 1 1 133 133 LEU N N 133 131.382 131.382 129.471 1.911 19425 15190 1 18 . 1 1 133 133 LEU C C 133 174.035 174.035 177.406 -3.371 19425 15191 1 18 . 1 1 133 133 LEU CA C 133 54.799 54.799 54.690 0.109 19425 15192 1 18 . 1 1 133 133 LEU CB C 133 41.109 41.109 42.770 -1.661 19425 15193 1 18 . 1 1 133 133 LEU H H 133 9.008 9.008 8.513 0.495 19425 15194 1 18 . 1 1 134 134 SER N N 134 112.103 112.103 114.228 -2.125 19425 15195 1 18 . 1 1 134 134 SER C C 134 175.519 175.519 174.312 1.207 19425 15196 1 18 . 1 1 134 134 SER CA C 134 58.320 58.320 59.302 -0.982 19425 15197 1 18 . 1 1 134 134 SER CB C 134 63.979 63.979 62.861 1.118 19425 15198 1 18 . 1 1 134 134 SER H H 134 8.229 8.229 8.415 -0.186 19425 15199 1 18 . 1 1 135 135 THR N N 135 111.693 111.693 112.978 -1.285 19425 15200 1 18 . 1 1 135 135 THR C C 135 174.535 174.535 174.432 0.103 19425 15201 1 18 . 1 1 135 135 THR CA C 135 60.703 60.703 61.468 -0.765 19425 15202 1 18 . 1 1 135 135 THR CB C 135 70.624 70.624 70.319 0.305 19425 15203 1 18 . 1 1 135 135 THR H H 135 7.292 7.292 7.386 -0.094 19425 15204 1 18 . 1 1 136 136 SER N N 136 117.260 117.260 121.419 -4.159 19425 15205 1 18 . 1 1 136 136 SER C C 136 173.478 173.478 174.586 -1.108 19425 15206 1 18 . 1 1 136 136 SER CA C 136 57.537 57.537 61.275 -3.738 19425 15207 1 18 . 1 1 136 136 SER CB C 136 64.593 64.593 63.878 0.715 19425 15208 1 18 . 1 1 136 136 SER H H 136 8.544 8.544 9.009 -0.465 19425 15209 1 18 . 1 1 137 137 ARG N N 137 124.804 124.804 117.936 6.868 19425 15210 1 18 . 1 1 137 137 ARG C C 137 175.000 175.000 175.005 -0.005 19425 15211 1 18 . 1 1 137 137 ARG CA C 137 56.922 56.922 56.204 0.718 19425 15212 1 18 . 1 1 137 137 ARG CB C 137 30.733 30.733 30.936 -0.203 19425 15213 1 18 . 1 1 137 137 ARG H H 137 9.231 9.231 7.655 1.576 19425 15214 1 18 . 1 1 138 138 SER N N 138 126.225 126.225 122.340 3.885 19425 15215 1 18 . 1 1 138 138 SER C C 138 175.871 175.871 175.077 0.794 19425 15216 1 18 . 1 1 138 138 SER CA C 138 61.891 61.891 60.987 0.903 19425 15217 1 18 . 1 1 138 138 SER CB C 138 62.730 62.730 62.505 0.224 19425 15218 1 18 . 1 1 138 138 SER H H 138 7.891 7.891 9.296 -1.405 19425 15219 1 18 . 1 1 140 140 THR N N 140 114.799 114.799 115.649 -0.850 19425 15220 1 18 . 1 1 140 140 THR C C 140 173.756 173.756 172.608 1.148 19425 15221 1 18 . 1 1 140 140 THR CA C 140 62.895 62.895 60.980 1.915 19425 15222 1 18 . 1 1 140 140 THR CB C 140 69.332 69.332 70.755 -1.423 19425 15223 1 18 . 1 1 140 140 THR H H 140 8.168 8.168 7.853 0.315 19425 15224 1 18 . 1 1 141 141 ASP N N 141 121.772 121.772 118.174 3.598 19425 15225 1 18 . 1 1 141 141 ASP C C 141 174.795 174.795 175.027 -0.232 19425 15226 1 18 . 1 1 141 141 ASP CA C 141 54.001 54.001 55.296 -1.295 19425 15227 1 18 . 1 1 141 141 ASP CB C 141 40.914 40.914 41.317 -0.403 19425 15228 1 18 . 1 1 141 141 ASP H H 141 8.049 8.049 8.369 -0.320 19425 15229 1 18 . 1 1 142 142 LYS N N 142 121.585 121.585 115.589 5.996 19425 15230 1 18 . 1 1 142 142 LYS C C 142 176.274 176.274 177.225 -0.951 19425 15231 1 18 . 1 1 142 142 LYS CA C 142 57.106 57.106 56.714 0.392 19425 15232 1 18 . 1 1 142 142 LYS CB C 142 31.369 31.369 33.527 -2.158 19425 15233 1 18 . 1 1 142 142 LYS H H 142 8.376 8.376 8.164 0.212 19425 15234 1 18 . 1 1 143 143 LEU N N 143 119.604 119.604 122.236 -2.632 19425 15235 1 18 . 1 1 143 143 LEU C C 143 176.798 176.798 177.625 -0.827 19425 15236 1 18 . 1 1 143 143 LEU CA C 143 55.261 55.261 57.633 -2.372 19425 15237 1 18 . 1 1 143 143 LEU CB C 143 41.487 41.487 41.061 0.426 19425 15238 1 18 . 1 1 143 143 LEU H H 143 8.262 8.262 8.310 -0.048 19425 15239 1 18 . 1 1 144 144 ALA N N 144 123.881 123.881 116.552 7.329 19425 15240 1 18 . 1 1 144 144 ALA C C 144 176.410 176.410 176.240 0.170 19425 15241 1 18 . 1 1 144 144 ALA CA C 144 51.335 51.335 50.462 0.873 19425 15242 1 18 . 1 1 144 144 ALA CB C 144 20.924 20.924 21.305 -0.381 19425 15243 1 18 . 1 1 144 144 ALA H H 144 7.614 7.614 7.564 0.050 19425 15244 1 18 . 1 1 145 145 PHE N N 145 120.083 120.083 118.535 1.548 19425 15245 1 18 . 1 1 145 145 PHE C C 145 176.948 176.948 175.505 1.443 19425 15246 1 18 . 1 1 145 145 PHE CA C 145 55.872 55.872 56.772 -0.900 19425 15247 1 18 . 1 1 145 145 PHE CB C 145 42.468 42.468 41.177 1.291 19425 15248 1 18 . 1 1 145 145 PHE H H 145 8.647 8.647 8.798 -0.151 19425 15249 1 18 . 1 1 146 146 ASP N N 146 119.893 119.893 120.393 -0.500 19425 15250 1 18 . 1 1 146 146 ASP C C 146 175.519 175.519 174.719 0.800 19425 15251 1 18 . 1 1 146 146 ASP CA C 146 54.679 54.679 54.396 0.283 19425 15252 1 18 . 1 1 146 146 ASP CB C 146 42.169 42.169 42.873 -0.704 19425 15253 1 18 . 1 1 146 146 ASP H H 146 8.692 8.692 8.872 -0.180 19425 15254 1 18 . 1 1 147 147 VAL N N 147 118.800 118.800 122.001 -3.201 19425 15255 1 18 . 1 1 147 147 VAL C C 147 174.053 174.053 175.620 -1.567 19425 15256 1 18 . 1 1 147 147 VAL CA C 147 60.671 60.671 60.969 -0.298 19425 15257 1 18 . 1 1 147 147 VAL CB C 147 35.326 35.326 32.236 3.090 19425 15258 1 18 . 1 1 147 147 VAL H H 147 8.224 8.224 8.650 -0.426 19425 15259 1 18 . 1 1 148 148 GLY N N 148 113.226 113.226 115.078 -1.852 19425 15260 1 18 . 1 1 148 148 GLY C C 148 175.141 175.141 172.145 2.996 19425 15261 1 18 . 1 1 148 148 GLY CA C 148 45.384 45.384 43.730 1.654 19425 15262 1 18 . 1 1 148 148 GLY H H 148 8.594 8.594 8.887 -0.293 19425 15263 1 18 . 1 1 149 149 LEU N N 149 120.880 120.880 119.338 1.542 19425 15264 1 18 . 1 1 149 149 LEU C C 149 170.973 170.973 175.206 -4.233 19425 15265 1 18 . 1 1 149 149 LEU CA C 149 53.299 53.299 53.650 -0.351 19425 15266 1 18 . 1 1 149 149 LEU CB C 149 43.938 43.938 45.440 -1.502 19425 15267 1 18 . 1 1 149 149 LEU H H 149 8.303 8.303 8.127 0.176 19425 15268 1 18 . 1 1 150 150 GLN N N 150 118.978 118.978 119.968 -0.990 19425 15269 1 18 . 1 1 150 150 GLN C C 150 177.133 177.133 175.863 1.270 19425 15270 1 18 . 1 1 150 150 GLN CA C 150 54.723 54.723 55.018 -0.295 19425 15271 1 18 . 1 1 150 150 GLN CB C 150 32.690 32.690 32.597 0.093 19425 15272 1 18 . 1 1 150 150 GLN H H 150 9.115 9.115 8.633 0.482 19425 15273 1 18 . 1 1 151 151 GLU N N 151 121.344 121.344 123.628 -2.284 19425 15274 1 18 . 1 1 151 151 GLU C C 151 175.333 175.333 176.049 -0.716 19425 15275 1 18 . 1 1 151 151 GLU CA C 151 59.140 59.140 58.627 0.513 19425 15276 1 18 . 1 1 151 151 GLU CB C 151 30.735 30.735 29.907 0.828 19425 15277 1 18 . 1 1 151 151 GLU H H 151 9.142 9.142 8.739 0.403 19425 15278 1 18 . 1 1 152 152 ASP N N 152 117.494 117.494 119.131 -1.637 19425 15279 1 18 . 1 1 152 152 ASP C C 152 176.391 176.391 177.213 -0.822 19425 15280 1 18 . 1 1 152 152 ASP CA C 152 54.139 54.139 54.461 -0.322 19425 15281 1 18 . 1 1 152 152 ASP CB C 152 41.920 41.920 41.623 0.297 19425 15282 1 18 . 1 1 152 152 ASP H H 152 8.023 8.023 8.193 -0.170 19425 15283 1 18 . 1 1 153 153 THR N N 153 111.969 111.969 109.639 2.330 19425 15284 1 18 . 1 1 153 153 THR C C 153 175.964 175.964 174.659 1.305 19425 15285 1 18 . 1 1 153 153 THR CA C 153 61.894 61.894 62.453 -0.559 19425 15286 1 18 . 1 1 153 153 THR CB C 153 68.903 68.903 69.371 -0.468 19425 15287 1 18 . 1 1 153 153 THR H H 153 7.985 7.985 8.269 -0.284 19425 15288 1 18 . 1 1 154 154 THR N N 154 113.978 113.978 114.208 -0.230 19425 15289 1 18 . 1 1 154 154 THR C C 154 175.000 175.000 174.976 0.024 19425 15290 1 18 . 1 1 154 154 THR CA C 154 62.359 62.359 63.012 -0.653 19425 15291 1 18 . 1 1 154 154 THR CB C 154 69.210 69.210 68.733 0.477 19425 15292 1 18 . 1 1 154 154 THR H H 154 7.790 7.790 7.737 0.053 19425 15293 1 18 . 1 1 155 155 GLY N N 155 108.411 108.411 114.628 -6.217 19425 15294 1 18 . 1 1 155 155 GLY C C 155 174.702 174.702 172.370 2.332 19425 15295 1 18 . 1 1 155 155 GLY CA C 155 44.737 44.737 44.788 -0.051 19425 15296 1 18 . 1 1 155 155 GLY H H 155 7.639 7.639 8.090 -0.451 19425 15297 1 18 . 1 1 156 156 GLU N N 156 118.666 118.666 120.471 -1.805 19425 15298 1 18 . 1 1 156 156 GLU C C 156 173.571 173.571 177.820 -4.249 19425 15299 1 18 . 1 1 156 156 GLU CA C 156 59.352 59.352 57.011 2.341 19425 15300 1 18 . 1 1 156 156 GLU CB C 156 31.248 31.248 30.579 0.669 19425 15301 1 18 . 1 1 156 156 GLU H H 156 8.606 8.606 8.708 -0.102 19425 15302 1 18 . 1 1 157 157 ALA N N 157 118.664 118.664 123.703 -5.039 19425 15303 1 18 . 1 1 157 157 ALA C C 157 177.727 177.727 178.432 -0.705 19425 15304 1 18 . 1 1 157 157 ALA CA C 157 55.063 55.063 54.749 0.314 19425 15305 1 18 . 1 1 157 157 ALA CB C 157 18.856 18.856 18.171 0.685 19425 15306 1 18 . 1 1 157 157 ALA H H 157 8.159 8.159 8.547 -0.388 19425 15307 1 18 . 1 1 158 158 CYS N N 158 114.681 114.681 114.795 -0.114 19425 15308 1 18 . 1 1 158 158 CYS C C 158 179.972 179.972 173.584 6.388 19425 15309 1 18 . 1 1 158 158 CYS CA C 158 57.585 57.585 58.494 -0.909 19425 15310 1 18 . 1 1 158 158 CYS CB C 158 27.977 27.977 27.121 0.856 19425 15311 1 18 . 1 1 158 158 CYS H H 158 7.973 7.973 8.219 -0.246 19425 15312 1 18 . 1 1 165 165 ALA N N 165 122.416 122.416 128.480 -6.064 19425 15313 1 18 . 1 1 165 165 ALA C C 165 176.743 176.743 177.704 -0.961 19425 15314 1 18 . 1 1 165 165 ALA CA C 165 52.390 52.390 53.802 -1.412 19425 15315 1 18 . 1 1 165 165 ALA CB C 165 20.486 20.486 19.259 1.227 19425 15316 1 18 . 1 1 165 165 ALA H H 165 8.190 8.190 8.629 -0.439 19425 15317 1 18 . 1 1 166 166 SER N N 166 111.681 111.681 113.804 -2.123 19425 15318 1 18 . 1 1 166 166 SER C C 166 176.876 176.876 174.197 2.679 19425 15319 1 18 . 1 1 166 166 SER CA C 166 56.863 56.863 57.532 -0.669 19425 15320 1 18 . 1 1 166 166 SER CB C 166 65.738 65.738 65.078 0.660 19425 15321 1 18 . 1 1 166 166 SER H H 166 7.690 7.690 7.643 0.047 19425 15322 1 18 . 1 1 167 167 LYS N N 167 121.655 121.655 118.941 2.714 19425 15323 1 18 . 1 1 167 167 LYS C C 167 175.241 175.241 177.177 -1.936 19425 15324 1 18 . 1 1 167 167 LYS CA C 167 55.297 55.297 56.512 -1.215 19425 15325 1 18 . 1 1 167 167 LYS CB C 167 31.364 31.364 32.459 -1.095 19425 15326 1 18 . 1 1 167 167 LYS H H 167 8.230 8.230 8.484 -0.254 19425 15327 1 18 . 1 1 168 168 GLN N N 168 117.832 117.832 117.737 0.095 19425 15328 1 18 . 1 1 168 168 GLN C C 168 176.836 176.836 176.450 0.386 19425 15329 1 18 . 1 1 168 168 GLN CA C 168 57.366 57.366 56.831 0.535 19425 15330 1 18 . 1 1 168 168 GLN CB C 168 28.979 28.979 29.208 -0.229 19425 15331 1 18 . 1 1 168 168 GLN H H 168 8.134 8.134 7.598 0.536 19425 15332 1 18 . 1 1 169 169 ARG N N 169 117.052 117.052 119.132 -2.080 19425 15333 1 18 . 1 1 169 169 ARG C C 169 175.946 175.946 175.052 0.894 19425 15334 1 18 . 1 1 169 169 ARG CA C 169 52.885 52.885 54.610 -1.725 19425 15335 1 18 . 1 1 169 169 ARG CB C 169 32.795 32.795 30.902 1.893 19425 15336 1 18 . 1 1 169 169 ARG H H 169 7.209 7.209 7.922 -0.713 19425 15337 1 18 . 1 1 170 170 SER N N 170 114.335 114.335 114.565 -0.230 19425 15338 1 18 . 1 1 170 170 SER C C 170 174.387 174.387 173.420 0.967 19425 15339 1 18 . 1 1 170 170 SER CA C 170 56.976 56.976 56.395 0.581 19425 15340 1 18 . 1 1 170 170 SER CB C 170 66.348 66.348 65.060 1.288 19425 15341 1 18 . 1 1 170 170 SER H H 170 8.279 8.279 8.398 -0.119 19425 15342 1 18 . 1 1 171 171 GLU N N 171 121.428 121.428 122.861 -1.433 19425 15343 1 18 . 1 1 171 171 GLU C C 171 173.293 173.293 176.836 -3.543 19425 15344 1 18 . 1 1 171 171 GLU CA C 171 58.658 58.658 57.390 1.268 19425 15345 1 18 . 1 1 171 171 GLU CB C 171 28.693 28.693 28.623 0.070 19425 15346 1 18 . 1 1 171 171 GLU H H 171 8.540 8.540 8.641 -0.101 19425 15347 1 18 . 1 1 172 172 GLY N N 172 113.162 113.162 114.627 -1.465 19425 15348 1 18 . 1 1 172 172 GLY C C 172 177.504 177.504 174.369 3.135 19425 15349 1 18 . 1 1 172 172 GLY CA C 172 45.452 45.452 44.883 0.570 19425 15350 1 18 . 1 1 172 172 GLY H H 172 8.676 8.676 8.995 -0.319 19425 15351 1 18 . 1 1 173 173 GLU N N 173 119.545 119.545 121.194 -1.649 19425 15352 1 18 . 1 1 173 173 GLU C C 173 173.311 173.311 176.023 -2.712 19425 15353 1 18 . 1 1 173 173 GLU CA C 173 55.689 55.689 56.075 -0.386 19425 15354 1 18 . 1 1 173 173 GLU CB C 173 31.204 31.204 31.007 0.197 19425 15355 1 18 . 1 1 173 173 GLU H H 173 7.805 7.805 7.907 -0.102 19425 15356 1 18 . 1 1 174 174 LYS N N 174 120.834 120.834 121.848 -1.014 19425 15357 1 18 . 1 1 174 174 LYS C C 174 175.352 175.352 176.675 -1.323 19425 15358 1 18 . 1 1 174 174 LYS CA C 174 57.207 57.207 56.741 0.466 19425 15359 1 18 . 1 1 174 174 LYS CB C 174 34.185 34.185 32.694 1.491 19425 15360 1 18 . 1 1 174 174 LYS H H 174 8.215 8.215 8.474 -0.259 19425 15361 1 18 . 1 1 175 175 VAL N N 175 122.529 122.529 125.147 -2.618 19425 15362 1 18 . 1 1 175 175 VAL C C 175 176.595 176.595 175.786 0.809 19425 15363 1 18 . 1 1 175 175 VAL CA C 175 63.046 63.046 61.684 1.362 19425 15364 1 18 . 1 1 175 175 VAL CB C 175 31.265 31.265 31.168 0.097 19425 15365 1 18 . 1 1 175 175 VAL H H 175 7.914 7.914 8.646 -0.732 19425 15366 1 18 . 1 1 176 176 ARG N N 176 127.622 127.622 127.539 0.083 19425 15367 1 18 . 1 1 176 176 ARG C C 176 175.742 175.742 176.695 -0.953 19425 15368 1 18 . 1 1 176 176 ARG CA C 176 55.767 55.767 53.242 2.526 19425 15369 1 18 . 1 1 176 176 ARG CB C 176 30.480 30.480 31.330 -0.850 19425 15370 1 18 . 1 1 176 176 ARG H H 176 7.570 7.570 8.439 -0.869 19425 15371 1 18 . 1 1 177 177 VAL N N 177 122.521 122.521 121.672 0.849 19425 15372 1 18 . 1 1 177 177 VAL C C 177 177.523 177.523 177.545 -0.022 19425 15373 1 18 . 1 1 177 177 VAL CA C 177 65.322 65.322 64.235 1.087 19425 15374 1 18 . 1 1 177 177 VAL CB C 177 31.431 31.431 31.140 0.291 19425 15375 1 18 . 1 1 177 177 VAL H H 177 8.276 8.276 7.744 0.532 19425 15376 1 18 . 1 1 179 179 ASP N N 179 122.577 122.577 123.293 -0.716 19425 15377 1 18 . 1 1 179 179 ASP C C 179 174.554 174.554 175.728 -1.174 19425 15378 1 18 . 1 1 179 179 ASP CA C 179 54.687 54.687 54.606 0.081 19425 15379 1 18 . 1 1 179 179 ASP CB C 179 40.417 40.417 41.278 -0.861 19425 15380 1 18 . 1 1 179 179 ASP H H 179 7.848 7.848 7.906 -0.058 19425 15381 1 18 . 1 1 180 180 ASP N N 180 121.916 121.916 124.175 -2.259 19425 15382 1 18 . 1 1 180 180 ASP C C 180 174.610 174.610 175.882 -1.272 19425 15383 1 18 . 1 1 180 180 ASP CA C 180 54.379 54.379 54.788 -0.409 19425 15384 1 18 . 1 1 180 180 ASP CB C 180 42.178 42.178 40.770 1.408 19425 15385 1 18 . 1 1 180 180 ASP H H 180 8.521 8.521 8.549 -0.028 19425 15386 1 18 . 1 1 181 181 LEU N N 181 121.499 121.499 123.716 -2.217 19425 15387 1 18 . 1 1 181 181 LEU C C 181 175.166 175.166 176.771 -1.605 19425 15388 1 18 . 1 1 181 181 LEU CA C 181 54.379 54.379 53.717 0.662 19425 15389 1 18 . 1 1 181 181 LEU CB C 181 45.395 45.395 44.420 0.975 19425 15390 1 18 . 1 1 181 181 LEU H H 181 9.782 9.782 9.085 0.697 19425 15391 1 18 . 1 1 185 185 SER N N 185 122.939 122.939 122.640 0.299 19425 15392 1 18 . 1 1 185 185 SER C C 185 175.871 175.871 175.733 0.138 19425 15393 1 18 . 1 1 185 185 SER CA C 185 57.514 57.514 57.789 -0.275 19425 15394 1 18 . 1 1 185 185 SER CB C 185 62.772 62.772 63.282 -0.510 19425 15395 1 18 . 1 1 185 185 SER H H 185 9.183 9.183 8.995 0.188 19425 15396 1 18 . 1 1 186 186 VAL N N 186 131.799 131.799 126.859 4.940 19425 15397 1 18 . 1 1 186 186 VAL C C 186 177.226 177.226 177.302 -0.076 19425 15398 1 18 . 1 1 186 186 VAL CA C 186 65.883 65.883 66.015 -0.132 19425 15399 1 18 . 1 1 186 186 VAL CB C 186 31.190 31.190 31.562 -0.372 19425 15400 1 18 . 1 1 186 186 VAL H H 186 8.285 8.285 8.444 -0.159 19425 15401 1 18 . 1 1 187 187 SER N N 187 110.228 110.228 115.004 -4.776 19425 15402 1 18 . 1 1 187 187 SER C C 187 177.077 177.077 175.400 1.677 19425 15403 1 18 . 1 1 187 187 SER CA C 187 60.200 60.200 60.473 -0.273 19425 15404 1 18 . 1 1 187 187 SER CB C 187 62.264 62.264 63.265 -1.001 19425 15405 1 18 . 1 1 187 187 SER H H 187 7.000 7.000 8.008 -1.008 19425 15406 1 18 . 1 1 188 188 SER N N 188 115.022 115.022 114.671 0.351 19425 15407 1 18 . 1 1 188 188 SER C C 188 176.632 176.632 172.640 3.992 19425 15408 1 18 . 1 1 188 188 SER CA C 188 58.889 58.889 58.237 0.652 19425 15409 1 18 . 1 1 188 188 SER CB C 188 66.818 66.818 64.258 2.559 19425 15410 1 18 . 1 1 188 188 SER H H 188 7.886 7.886 7.404 0.482 19425 15411 1 18 . 1 1 189 189 GLU N N 189 118.477 118.477 118.053 0.424 19425 15412 1 18 . 1 1 189 189 GLU C C 189 175.000 175.000 174.911 0.089 19425 15413 1 18 . 1 1 189 189 GLU CA C 189 58.562 58.562 58.021 0.541 19425 15414 1 18 . 1 1 189 189 GLU CB C 189 27.420 27.420 27.123 0.297 19425 15415 1 18 . 1 1 189 189 GLU H H 189 7.929 7.929 8.379 -0.450 19425 15416 1 18 . 1 1 190 190 ARG N N 190 116.828 116.828 117.578 -0.750 19425 15417 1 18 . 1 1 190 190 ARG C C 190 173.868 173.868 175.939 -2.071 19425 15418 1 18 . 1 1 190 190 ARG CA C 190 54.238 54.238 54.495 -0.257 19425 15419 1 18 . 1 1 190 190 ARG CB C 190 32.141 32.141 32.943 -0.802 19425 15420 1 18 . 1 1 190 190 ARG H H 190 6.723 6.723 8.091 -1.368 19425 15421 1 18 . 1 1 191 191 TYR N N 191 118.733 118.733 121.497 -2.764 19425 15422 1 18 . 1 1 191 191 TYR C C 191 174.368 174.368 177.363 -2.995 19425 15423 1 18 . 1 1 191 191 TYR CA C 191 57.405 57.405 58.730 -1.325 19425 15424 1 18 . 1 1 191 191 TYR CB C 191 39.444 39.444 39.433 0.011 19425 15425 1 18 . 1 1 191 191 TYR H H 191 8.912 8.912 8.994 -0.082 19425 15426 1 18 . 1 1 192 192 LEU N N 192 123.460 123.460 124.532 -1.072 19425 15427 1 18 . 1 1 192 192 LEU C C 192 176.753 176.753 176.109 0.644 19425 15428 1 18 . 1 1 192 192 LEU CA C 192 57.061 57.061 54.243 2.817 19425 15429 1 18 . 1 1 192 192 LEU CB C 192 41.351 41.351 40.587 0.764 19425 15430 1 18 . 1 1 192 192 LEU H H 192 8.836 8.836 8.878 -0.042 19425 15431 1 18 . 1 1 193 193 HIS N N 193 134.195 134.195 125.282 8.913 19425 15432 1 18 . 1 1 193 193 HIS C C 193 178.766 178.766 174.402 4.364 19425 15433 1 18 . 1 1 193 193 HIS CA C 193 56.349 56.349 56.069 0.280 19425 15434 1 18 . 1 1 193 193 HIS CB C 193 31.613 31.613 31.802 -0.189 19425 15435 1 18 . 1 1 193 193 HIS H H 193 10.227 10.227 8.931 1.296 19425 15436 1 18 . 1 1 194 194 LEU N N 194 128.500 128.500 127.357 1.143 19425 15437 1 18 . 1 1 194 194 LEU C C 194 170.268 170.268 175.431 -5.163 19425 15438 1 18 . 1 1 194 194 LEU CA C 194 54.139 54.139 53.633 0.506 19425 15439 1 18 . 1 1 194 194 LEU CB C 194 44.036 44.036 43.671 0.365 19425 15440 1 18 . 1 1 194 194 LEU H H 194 7.784 7.784 7.752 0.032 19425 15441 1 18 . 1 1 195 195 SER N N 195 122.195 122.195 122.606 -0.411 19425 15442 1 18 . 1 1 195 195 SER C C 195 174.740 174.740 173.402 1.338 19425 15443 1 18 . 1 1 195 195 SER CA C 195 56.814 56.814 56.851 -0.037 19425 15444 1 18 . 1 1 195 195 SER CB C 195 66.260 66.260 66.080 0.180 19425 15445 1 18 . 1 1 195 195 SER H H 195 9.042 9.042 9.001 0.041 19425 15446 1 18 . 1 1 196 196 TYR N N 196 124.809 124.809 126.457 -1.648 19425 15447 1 18 . 1 1 196 196 TYR C C 196 172.439 172.439 175.305 -2.866 19425 15448 1 18 . 1 1 196 196 TYR CA C 196 57.019 57.019 56.999 0.020 19425 15449 1 18 . 1 1 196 196 TYR CB C 196 39.817 39.817 38.669 1.149 19425 15450 1 18 . 1 1 196 196 TYR H H 196 8.657 8.657 8.921 -0.264 19425 15451 1 18 . 1 1 197 197 GLY N N 197 114.111 114.111 114.292 -0.181 19425 15452 1 18 . 1 1 197 197 GLY C C 197 176.113 176.113 173.990 2.123 19425 15453 1 18 . 1 1 197 197 GLY CA C 197 45.492 45.492 44.288 1.204 19425 15454 1 18 . 1 1 197 197 GLY H H 197 8.030 8.030 8.261 -0.231 19425 15455 1 18 . 1 1 200 200 SER N N 200 113.158 113.158 115.519 -2.361 19425 15456 1 18 . 1 1 200 200 SER C C 200 172.661 172.661 172.087 0.574 19425 15457 1 18 . 1 1 200 200 SER CA C 200 56.890 56.890 56.200 0.690 19425 15458 1 18 . 1 1 200 200 SER CB C 200 65.522 65.522 65.029 0.493 19425 15459 1 18 . 1 1 200 200 SER H H 200 6.893 6.893 7.057 -0.164 19425 15460 1 18 . 1 1 201 201 TRP N N 201 122.521 122.521 119.638 2.883 19425 15461 1 18 . 1 1 201 201 TRP C C 201 171.813 171.813 175.988 -4.175 19425 15462 1 18 . 1 1 201 201 TRP CA C 201 56.990 56.990 56.078 0.912 19425 15463 1 18 . 1 1 201 201 TRP CB C 201 31.501 31.501 32.133 -0.632 19425 15464 1 18 . 1 1 201 201 TRP H H 201 8.243 8.243 8.149 0.094 19425 15465 1 18 . 1 1 202 202 HIS N N 202 121.171 121.171 118.504 2.667 19425 15466 1 18 . 1 1 202 202 HIS C C 202 173.805 173.805 173.644 0.161 19425 15467 1 18 . 1 1 202 202 HIS CA C 202 55.169 55.169 54.875 0.294 19425 15468 1 18 . 1 1 202 202 HIS CB C 202 32.254 32.254 34.103 -1.849 19425 15469 1 18 . 1 1 202 202 HIS H H 202 9.383 9.383 9.370 0.013 19425 15470 1 18 . 1 1 203 203 VAL N N 203 119.943 119.943 121.465 -1.522 19425 15471 1 18 . 1 1 203 203 VAL C C 203 172.439 172.439 174.464 -2.025 19425 15472 1 18 . 1 1 203 203 VAL CA C 203 58.683 58.683 59.660 -0.977 19425 15473 1 18 . 1 1 203 203 VAL CB C 203 33.957 33.957 34.596 -0.639 19425 15474 1 18 . 1 1 203 203 VAL H H 203 8.649 8.649 8.845 -0.196 19425 15475 1 18 . 1 1 204 204 ASP N N 204 127.907 127.907 126.069 1.838 19425 15476 1 18 . 1 1 204 204 ASP C C 204 173.162 173.162 173.782 -0.620 19425 15477 1 18 . 1 1 204 204 ASP CA C 204 53.545 53.545 52.897 0.648 19425 15478 1 18 . 1 1 204 204 ASP CB C 204 42.169 42.169 44.241 -2.072 19425 15479 1 18 . 1 1 204 204 ASP H H 204 9.822 9.822 9.068 0.754 19425 15480 1 18 . 1 1 205 205 ALA N N 205 121.047 121.047 121.155 -0.108 19425 15481 1 18 . 1 1 205 205 ALA C C 205 172.754 172.754 176.169 -3.415 19425 15482 1 18 . 1 1 205 205 ALA CA C 205 50.147 50.147 50.609 -0.462 19425 15483 1 18 . 1 1 205 205 ALA CB C 205 19.642 19.642 19.478 0.164 19425 15484 1 18 . 1 1 205 205 ALA H H 205 9.176 9.176 8.435 0.741 19425 15485 1 18 . 1 1 206 206 ALA N N 206 127.318 127.318 126.327 0.991 19425 15486 1 18 . 1 1 206 206 ALA C C 206 176.465 176.465 175.892 0.573 19425 15487 1 18 . 1 1 206 206 ALA CA C 206 50.609 50.609 50.257 0.352 19425 15488 1 18 . 1 1 206 206 ALA CB C 206 23.819 23.819 21.930 1.889 19425 15489 1 18 . 1 1 206 206 ALA H H 206 9.088 9.088 8.057 1.031 19425 15490 1 18 . 1 1 207 207 PHE N N 207 117.878 117.878 117.172 0.706 19425 15491 1 18 . 1 1 207 207 PHE C C 207 176.576 176.576 175.759 0.817 19425 15492 1 18 . 1 1 207 207 PHE CA C 207 59.714 59.714 58.711 1.003 19425 15493 1 18 . 1 1 207 207 PHE CB C 207 38.239 38.239 38.550 -0.311 19425 15494 1 18 . 1 1 207 207 PHE H H 207 8.953 8.953 8.377 0.576 19425 15495 1 18 . 1 1 208 208 GLN N N 208 117.531 117.531 117.091 0.440 19425 15496 1 18 . 1 1 208 208 GLN C C 208 175.166 175.166 175.298 -0.132 19425 15497 1 18 . 1 1 208 208 GLN CA C 208 55.096 55.096 53.994 1.102 19425 15498 1 18 . 1 1 208 208 GLN CB C 208 30.437 30.437 30.874 -0.437 19425 15499 1 18 . 1 1 208 208 GLN H H 208 6.613 6.613 7.715 -1.102 19425 15500 1 18 . 1 1 209 209 GLN N N 209 117.318 117.318 122.602 -5.284 19425 15501 1 18 . 1 1 209 209 GLN C C 209 173.162 173.162 175.830 -2.668 19425 15502 1 18 . 1 1 209 209 GLN CA C 209 56.217 56.217 56.754 -0.537 19425 15503 1 18 . 1 1 209 209 GLN CB C 209 29.912 29.912 29.429 0.483 19425 15504 1 18 . 1 1 209 209 GLN H H 209 8.108 8.108 8.363 -0.255 19425 15505 1 18 . 1 1 210 210 THR N N 210 116.616 116.616 113.751 2.865 19425 15506 1 18 . 1 1 210 210 THR C C 210 176.150 176.150 172.677 3.473 19425 15507 1 18 . 1 1 210 210 THR CA C 210 62.848 62.848 61.514 1.334 19425 15508 1 18 . 1 1 210 210 THR CB C 210 73.244 73.244 70.226 3.018 19425 15509 1 18 . 1 1 210 210 THR H H 210 6.641 6.641 8.219 -1.578 19425 15510 1 18 . 1 1 211 211 LEU N N 211 126.776 126.776 127.213 -0.437 19425 15511 1 18 . 1 1 211 211 LEU C C 211 171.418 171.418 175.758 -4.340 19425 15512 1 18 . 1 1 211 211 LEU CA C 211 55.012 55.012 54.733 0.279 19425 15513 1 18 . 1 1 211 211 LEU CB C 211 41.627 41.627 42.338 -0.711 19425 15514 1 18 . 1 1 211 211 LEU H H 211 8.418 8.418 8.415 0.003 19425 15515 1 18 . 1 1 212 212 TRP N N 212 124.678 124.678 124.336 0.342 19425 15516 1 18 . 1 1 212 212 TRP C C 212 175.742 175.742 175.748 -0.006 19425 15517 1 18 . 1 1 212 212 TRP CA C 212 56.052 56.052 55.697 0.355 19425 15518 1 18 . 1 1 212 212 TRP CB C 212 31.169 31.169 33.013 -1.844 19425 15519 1 18 . 1 1 212 212 TRP H H 212 9.462 9.462 9.200 0.262 19425 15520 1 18 . 1 1 213 213 SER N N 213 118.197 118.197 116.350 1.847 19425 15521 1 18 . 1 1 213 213 SER C C 213 175.575 175.575 174.089 1.486 19425 15522 1 18 . 1 1 213 213 SER CA C 213 57.141 57.141 55.900 1.241 19425 15523 1 18 . 1 1 213 213 SER CB C 213 64.800 64.800 63.226 1.574 19425 15524 1 18 . 1 1 213 213 SER H H 213 9.642 9.642 9.434 0.208 19425 15525 1 18 . 1 1 214 214 VAL N N 214 125.581 125.581 130.365 -4.784 19425 15526 1 18 . 1 1 214 214 VAL C C 214 174.183 174.183 174.671 -0.488 19425 15527 1 18 . 1 1 214 214 VAL CA C 214 61.398 61.398 61.917 -0.519 19425 15528 1 18 . 1 1 214 214 VAL CB C 214 32.502 32.502 31.656 0.846 19425 15529 1 18 . 1 1 214 214 VAL H H 214 8.433 8.433 8.683 -0.250 19425 15530 1 18 . 1 1 215 215 ALA N N 215 130.074 130.074 131.332 -1.258 19425 15531 1 18 . 1 1 215 215 ALA C C 215 174.647 174.647 174.322 0.325 19425 15532 1 18 . 1 1 215 215 ALA CA C 215 49.058 49.058 48.467 0.591 19425 15533 1 18 . 1 1 215 215 ALA CB C 215 20.299 20.299 20.290 0.010 19425 15534 1 18 . 1 1 215 215 ALA H H 215 8.572 8.572 8.405 0.167 19425 15535 1 19 . 1 1 13 13 PHE N N 13 122.001 122.001 121.169 0.832 19425 15536 1 19 . 1 1 13 13 PHE C C 13 174.608 174.608 175.885 -1.277 19425 15537 1 19 . 1 1 13 13 PHE CA C 13 56.445 56.445 55.782 0.663 19425 15538 1 19 . 1 1 13 13 PHE CB C 13 41.650 41.650 42.140 -0.490 19425 15539 1 19 . 1 1 13 13 PHE H H 13 8.209 8.209 8.164 0.045 19425 15540 1 19 . 1 1 14 14 LEU N N 14 122.475 122.475 123.649 -1.174 19425 15541 1 19 . 1 1 14 14 LEU C C 14 175.630 175.630 176.014 -0.384 19425 15542 1 19 . 1 1 14 14 LEU CA C 14 55.024 55.024 54.820 0.204 19425 15543 1 19 . 1 1 14 14 LEU CB C 14 43.987 43.987 42.069 1.918 19425 15544 1 19 . 1 1 14 14 LEU H H 14 8.264 8.264 8.959 -0.695 19425 15545 1 19 . 1 1 15 15 ARG N N 15 121.510 121.510 122.251 -0.741 19425 15546 1 19 . 1 1 15 15 ARG C C 15 175.630 175.630 177.214 -1.584 19425 15547 1 19 . 1 1 15 15 ARG CA C 15 54.007 54.007 52.534 1.473 19425 15548 1 19 . 1 1 15 15 ARG CB C 15 34.536 34.536 32.577 1.959 19425 15549 1 19 . 1 1 15 15 ARG H H 15 8.653 8.653 8.201 0.452 19425 15550 1 19 . 1 1 16 16 THR N N 16 110.840 110.840 113.057 -2.217 19425 15551 1 19 . 1 1 16 16 THR C C 16 175.946 175.946 175.506 0.440 19425 15552 1 19 . 1 1 16 16 THR CA C 16 62.950 62.950 62.564 0.386 19425 15553 1 19 . 1 1 16 16 THR CB C 16 69.276 69.276 69.528 -0.252 19425 15554 1 19 . 1 1 16 16 THR H H 16 8.815 8.815 8.499 0.316 19425 15555 1 19 . 1 1 17 17 ASP N N 17 114.036 114.036 118.236 -4.200 19425 15556 1 19 . 1 1 17 17 ASP C C 17 175.686 175.686 175.394 0.292 19425 15557 1 19 . 1 1 17 17 ASP CA C 17 57.735 57.735 55.987 1.748 19425 15558 1 19 . 1 1 17 17 ASP CB C 17 39.928 39.928 40.136 -0.208 19425 15559 1 19 . 1 1 17 17 ASP H H 17 9.241 9.241 8.913 0.328 19425 15560 1 19 . 1 1 18 18 ASP N N 18 122.062 122.062 121.083 0.979 19425 15561 1 19 . 1 1 18 18 ASP C C 18 175.946 175.946 176.336 -0.390 19425 15562 1 19 . 1 1 18 18 ASP CA C 18 56.214 56.214 54.993 1.220 19425 15563 1 19 . 1 1 18 18 ASP CB C 18 40.985 40.985 41.534 -0.549 19425 15564 1 19 . 1 1 18 18 ASP H H 18 8.035 8.035 7.598 0.437 19425 15565 1 19 . 1 1 19 19 GLU N N 19 122.006 122.006 123.545 -1.539 19425 15566 1 19 . 1 1 19 19 GLU C C 19 175.055 175.055 176.274 -1.219 19425 15567 1 19 . 1 1 19 19 GLU CA C 19 55.262 55.262 56.587 -1.325 19425 15568 1 19 . 1 1 19 19 GLU CB C 19 30.712 30.712 30.454 0.258 19425 15569 1 19 . 1 1 19 19 GLU H H 19 8.274 8.274 8.584 -0.310 19425 15570 1 19 . 1 1 20 20 VAL N N 20 118.214 118.214 121.817 -3.603 19425 15571 1 19 . 1 1 20 20 VAL C C 20 176.855 176.855 173.761 3.094 19425 15572 1 19 . 1 1 20 20 VAL CA C 20 59.054 59.054 59.052 0.002 19425 15573 1 19 . 1 1 20 20 VAL CB C 20 36.780 36.780 36.308 0.472 19425 15574 1 19 . 1 1 20 20 VAL H H 20 9.779 9.779 9.107 0.672 19425 15575 1 19 . 1 1 21 21 VAL N N 21 115.443 115.443 115.048 0.395 19425 15576 1 19 . 1 1 21 21 VAL C C 21 173.830 173.830 174.215 -0.385 19425 15577 1 19 . 1 1 21 21 VAL CA C 21 60.308 60.308 60.071 0.237 19425 15578 1 19 . 1 1 21 21 VAL CB C 21 34.625 34.625 35.316 -0.692 19425 15579 1 19 . 1 1 21 21 VAL H H 21 8.167 8.167 8.475 -0.308 19425 15580 1 19 . 1 1 22 22 LEU N N 22 128.072 128.072 127.777 0.295 19425 15581 1 19 . 1 1 22 22 LEU C C 22 174.858 174.858 176.099 -1.241 19425 15582 1 19 . 1 1 22 22 LEU CA C 22 55.656 55.656 54.276 1.380 19425 15583 1 19 . 1 1 22 22 LEU CB C 22 42.545 42.545 42.077 0.468 19425 15584 1 19 . 1 1 22 22 LEU H H 22 10.103 10.103 8.888 1.215 19425 15585 1 19 . 1 1 23 23 GLN N N 23 120.609 120.609 123.152 -2.543 19425 15586 1 19 . 1 1 23 23 GLN C C 23 175.500 175.500 175.240 0.260 19425 15587 1 19 . 1 1 23 23 GLN CA C 23 53.710 53.710 54.164 -0.454 19425 15588 1 19 . 1 1 23 23 GLN CB C 23 33.697 33.697 33.472 0.225 19425 15589 1 19 . 1 1 23 23 GLN H H 23 9.119 9.119 8.742 0.377 19425 15590 1 19 . 1 1 24 24 CYS N N 24 118.659 118.659 117.637 1.022 19425 15591 1 19 . 1 1 24 24 CYS C C 24 174.443 174.443 173.654 0.789 19425 15592 1 19 . 1 1 24 24 CYS CA C 24 55.261 55.261 56.016 -0.755 19425 15593 1 19 . 1 1 24 24 CYS CB C 24 30.302 30.302 30.622 -0.320 19425 15594 1 19 . 1 1 24 24 CYS H H 24 8.993 8.993 9.144 -0.151 19425 15595 1 19 . 1 1 25 25 THR N N 25 116.266 116.266 119.737 -3.471 19425 15596 1 19 . 1 1 25 25 THR C C 25 172.457 172.457 173.708 -1.251 19425 15597 1 19 . 1 1 25 25 THR CA C 25 61.858 61.858 62.746 -0.888 19425 15598 1 19 . 1 1 25 25 THR CB C 25 70.271 70.271 69.261 1.010 19425 15599 1 19 . 1 1 25 25 THR H H 25 8.480 8.480 8.603 -0.123 19425 15600 1 19 . 1 1 26 26 ALA N N 26 129.739 129.739 130.931 -1.192 19425 15601 1 19 . 1 1 26 26 ALA C C 26 172.717 172.717 175.119 -2.402 19425 15602 1 19 . 1 1 26 26 ALA CA C 26 50.642 50.642 49.934 0.708 19425 15603 1 19 . 1 1 26 26 ALA CB C 26 21.315 21.315 19.809 1.506 19425 15604 1 19 . 1 1 26 26 ALA H H 26 8.590 8.590 8.716 -0.126 19425 15605 1 19 . 1 1 27 27 THR N N 27 116.574 116.574 118.862 -2.288 19425 15606 1 19 . 1 1 27 27 THR C C 27 173.181 173.181 173.711 -0.530 19425 15607 1 19 . 1 1 27 27 THR CA C 27 61.919 61.919 61.388 0.531 19425 15608 1 19 . 1 1 27 27 THR CB C 27 69.696 69.696 70.646 -0.950 19425 15609 1 19 . 1 1 27 27 THR H H 27 8.110 8.110 8.268 -0.158 19425 15610 1 19 . 1 1 28 28 ILE N N 28 126.342 126.342 125.535 0.807 19425 15611 1 19 . 1 1 28 28 ILE C C 28 173.793 173.793 174.542 -0.749 19425 15612 1 19 . 1 1 28 28 ILE CA C 28 60.407 60.407 61.141 -0.734 19425 15613 1 19 . 1 1 28 28 ILE CB C 28 39.536 39.536 40.659 -1.123 19425 15614 1 19 . 1 1 28 28 ILE H H 28 8.483 8.483 8.902 -0.419 19425 15615 1 19 . 1 1 29 29 HIS N N 29 126.364 126.364 124.060 2.304 19425 15616 1 19 . 1 1 29 29 HIS C C 29 175.259 175.259 174.189 1.070 19425 15617 1 19 . 1 1 29 29 HIS CA C 29 57.174 57.174 57.056 0.118 19425 15618 1 19 . 1 1 29 29 HIS CB C 29 28.029 28.029 28.291 -0.262 19425 15619 1 19 . 1 1 29 29 HIS H H 29 9.110 9.110 8.419 0.691 19425 15620 1 19 . 1 1 31 31 GLU N N 31 120.962 120.962 118.732 2.230 19425 15621 1 19 . 1 1 31 31 GLU C C 31 175.575 175.575 174.298 1.277 19425 15622 1 19 . 1 1 31 31 GLU CA C 31 55.394 55.394 55.085 0.309 19425 15623 1 19 . 1 1 31 31 GLU CB C 31 31.576 31.576 33.130 -1.554 19425 15624 1 19 . 1 1 31 31 GLU H H 31 8.047 8.047 7.733 0.314 19425 15625 1 19 . 1 1 32 32 GLN N N 32 123.171 123.171 123.613 -0.442 19425 15626 1 19 . 1 1 32 32 GLN C C 32 175.185 175.185 174.417 0.768 19425 15627 1 19 . 1 1 32 32 GLN CA C 32 54.496 54.496 54.335 0.161 19425 15628 1 19 . 1 1 32 32 GLN CB C 32 30.054 30.054 31.738 -1.684 19425 15629 1 19 . 1 1 32 32 GLN H H 32 8.646 8.646 8.632 0.014 19425 15630 1 19 . 1 1 33 33 GLN N N 33 123.530 123.530 119.642 3.888 19425 15631 1 19 . 1 1 33 33 GLN C C 33 175.667 175.667 173.479 2.188 19425 15632 1 19 . 1 1 33 33 GLN CA C 33 54.616 54.616 54.783 -0.167 19425 15633 1 19 . 1 1 33 33 GLN CB C 33 31.748 31.748 32.583 -0.835 19425 15634 1 19 . 1 1 33 33 GLN H H 33 8.839 8.839 8.636 0.203 19425 15635 1 19 . 1 1 34 34 LYS N N 34 124.601 124.601 121.171 3.430 19425 15636 1 19 . 1 1 34 34 LYS C C 34 173.812 173.812 175.558 -1.746 19425 15637 1 19 . 1 1 34 34 LYS CA C 34 55.755 55.755 55.182 0.573 19425 15638 1 19 . 1 1 34 34 LYS CB C 34 32.712 32.712 35.133 -2.421 19425 15639 1 19 . 1 1 34 34 LYS H H 34 8.589 8.589 8.575 0.014 19425 15640 1 19 . 1 1 35 35 LEU N N 35 126.071 126.071 124.027 2.044 19425 15641 1 19 . 1 1 35 35 LEU C C 35 175.445 175.445 175.340 0.105 19425 15642 1 19 . 1 1 35 35 LEU CA C 35 53.347 53.347 53.134 0.213 19425 15643 1 19 . 1 1 35 35 LEU CB C 35 44.943 44.943 46.094 -1.151 19425 15644 1 19 . 1 1 35 35 LEU H H 35 8.794 8.794 8.623 0.171 19425 15645 1 19 . 1 1 36 36 CYS N N 36 118.373 118.373 121.538 -3.165 19425 15646 1 19 . 1 1 36 36 CYS C C 36 176.057 176.057 174.369 1.688 19425 15647 1 19 . 1 1 36 36 CYS CA C 36 57.174 57.174 56.624 0.550 19425 15648 1 19 . 1 1 36 36 CYS CB C 36 30.306 30.306 29.874 0.432 19425 15649 1 19 . 1 1 36 36 CYS H H 36 9.042 9.042 8.833 0.209 19425 15650 1 19 . 1 1 37 37 LEU N N 37 129.256 129.256 128.831 0.425 19425 15651 1 19 . 1 1 37 37 LEU C C 37 174.090 174.090 174.978 -0.888 19425 15652 1 19 . 1 1 37 37 LEU CA C 37 56.349 56.349 55.456 0.892 19425 15653 1 19 . 1 1 37 37 LEU CB C 37 42.689 42.689 42.381 0.308 19425 15654 1 19 . 1 1 37 37 LEU H H 37 8.811 8.811 8.914 -0.103 19425 15655 1 19 . 1 1 38 38 ALA N N 38 127.229 127.229 128.552 -1.323 19425 15656 1 19 . 1 1 38 38 ALA C C 38 174.517 174.517 175.077 -0.560 19425 15657 1 19 . 1 1 38 38 ALA CA C 38 50.609 50.609 49.386 1.223 19425 15658 1 19 . 1 1 38 38 ALA CB C 38 24.141 24.141 22.363 1.778 19425 15659 1 19 . 1 1 38 38 ALA H H 38 8.879 8.879 8.621 0.258 19425 15660 1 19 . 1 1 39 39 ALA N N 39 117.076 117.076 120.079 -3.003 19425 15661 1 19 . 1 1 39 39 ALA C C 39 174.665 174.665 174.703 -0.038 19425 15662 1 19 . 1 1 39 39 ALA CA C 39 51.500 51.500 51.642 -0.142 19425 15663 1 19 . 1 1 39 39 ALA CB C 39 20.996 20.996 21.478 -0.482 19425 15664 1 19 . 1 1 39 39 ALA H H 39 6.837 6.837 7.652 -0.815 19425 15665 1 19 . 1 1 40 40 GLU N N 40 119.966 119.966 119.010 0.956 19425 15666 1 19 . 1 1 40 40 GLU C C 40 176.205 176.205 176.389 -0.184 19425 15667 1 19 . 1 1 40 40 GLU CA C 40 55.950 55.950 54.683 1.267 19425 15668 1 19 . 1 1 40 40 GLU CB C 40 31.836 31.836 31.920 -0.084 19425 15669 1 19 . 1 1 40 40 GLU H H 40 8.413 8.413 8.572 -0.159 19425 15670 1 19 . 1 1 41 41 GLY N N 41 108.646 108.646 110.032 -1.386 19425 15671 1 19 . 1 1 41 41 GLY C C 41 176.892 176.892 174.308 2.584 19425 15672 1 19 . 1 1 41 41 GLY CA C 41 45.628 45.628 45.891 -0.263 19425 15673 1 19 . 1 1 41 41 GLY H H 41 8.463 8.463 8.985 -0.522 19425 15674 1 19 . 1 1 43 43 GLY N N 43 109.557 109.557 110.087 -0.530 19425 15675 1 19 . 1 1 43 43 GLY C C 43 176.465 176.465 174.021 2.444 19425 15676 1 19 . 1 1 43 43 GLY CA C 43 45.397 45.397 45.782 -0.385 19425 15677 1 19 . 1 1 43 43 GLY H H 43 8.510 8.510 8.860 -0.350 19425 15678 1 19 . 1 1 44 44 ASN N N 44 116.850 116.850 121.248 -4.398 19425 15679 1 19 . 1 1 44 44 ASN C C 44 173.830 173.830 175.425 -1.595 19425 15680 1 19 . 1 1 44 44 ASN CA C 44 54.184 54.184 52.833 1.351 19425 15681 1 19 . 1 1 44 44 ASN CB C 44 38.252 38.252 37.713 0.539 19425 15682 1 19 . 1 1 44 44 ASN H H 44 8.028 8.028 8.570 -0.542 19425 15683 1 19 . 1 1 45 45 ARG N N 45 118.226 118.226 114.409 3.817 19425 15684 1 19 . 1 1 45 45 ARG C C 45 174.072 174.072 174.646 -0.574 19425 15685 1 19 . 1 1 45 45 ARG CA C 45 56.077 56.077 57.278 -1.201 19425 15686 1 19 . 1 1 45 45 ARG CB C 45 31.231 31.231 27.086 4.145 19425 15687 1 19 . 1 1 45 45 ARG H H 45 7.759 7.759 7.460 0.299 19425 15688 1 19 . 1 1 46 46 LEU N N 46 124.643 124.643 118.790 5.853 19425 15689 1 19 . 1 1 46 46 LEU C C 46 176.447 176.447 176.955 -0.508 19425 15690 1 19 . 1 1 46 46 LEU CA C 46 54.667 54.667 54.610 0.057 19425 15691 1 19 . 1 1 46 46 LEU CB C 46 42.605 42.605 42.764 -0.159 19425 15692 1 19 . 1 1 46 46 LEU H H 46 8.695 8.695 7.928 0.767 19425 15693 1 19 . 1 1 47 47 CYS N N 47 119.241 119.241 120.646 -1.405 19425 15694 1 19 . 1 1 47 47 CYS C C 47 176.651 176.651 174.773 1.878 19425 15695 1 19 . 1 1 47 47 CYS CA C 47 55.885 55.885 61.208 -5.323 19425 15696 1 19 . 1 1 47 47 CYS CB C 47 31.112 31.112 28.435 2.677 19425 15697 1 19 . 1 1 47 47 CYS H H 47 9.007 9.007 8.499 0.508 19425 15698 1 19 . 1 1 48 48 PHE N N 48 114.081 114.081 118.082 -4.001 19425 15699 1 19 . 1 1 48 48 PHE C C 48 170.342 170.342 173.050 -2.708 19425 15700 1 19 . 1 1 48 48 PHE CA C 48 57.405 57.405 55.868 1.537 19425 15701 1 19 . 1 1 48 48 PHE CB C 48 43.263 43.263 40.141 3.122 19425 15702 1 19 . 1 1 48 48 PHE H H 48 8.647 8.647 8.469 0.178 19425 15703 1 19 . 1 1 49 49 LEU N N 49 122.287 122.287 119.183 3.104 19425 15704 1 19 . 1 1 49 49 LEU C C 49 176.236 176.236 176.169 0.067 19425 15705 1 19 . 1 1 49 49 LEU CA C 49 53.285 53.285 53.804 -0.519 19425 15706 1 19 . 1 1 49 49 LEU CB C 49 42.907 42.907 45.635 -2.728 19425 15707 1 19 . 1 1 49 49 LEU H H 49 9.108 9.108 8.822 0.286 19425 15708 1 19 . 1 1 50 50 GLU N N 50 123.206 123.206 122.094 1.112 19425 15709 1 19 . 1 1 50 50 GLU C C 50 177.671 177.671 175.106 2.565 19425 15710 1 19 . 1 1 50 50 GLU CA C 50 57.084 57.084 54.553 2.531 19425 15711 1 19 . 1 1 50 50 GLU CB C 50 30.123 30.123 33.429 -3.306 19425 15712 1 19 . 1 1 50 50 GLU H H 50 8.834 8.834 8.648 0.186 19425 15713 1 19 . 1 1 51 51 SER N N 51 118.500 118.500 120.089 -1.589 19425 15714 1 19 . 1 1 51 51 SER C C 51 176.706 176.706 174.896 1.810 19425 15715 1 19 . 1 1 51 51 SER CA C 51 58.560 58.560 57.721 0.840 19425 15716 1 19 . 1 1 51 51 SER CB C 51 63.979 63.979 63.962 0.017 19425 15717 1 19 . 1 1 51 51 SER H H 51 8.461 8.461 8.837 -0.376 19425 15718 1 19 . 1 1 52 52 THR N N 52 116.205 116.205 118.497 -2.292 19425 15719 1 19 . 1 1 52 52 THR C C 52 174.808 174.808 175.125 -0.317 19425 15720 1 19 . 1 1 52 52 THR CA C 52 61.891 61.891 60.486 1.405 19425 15721 1 19 . 1 1 52 52 THR CB C 52 70.076 70.076 71.141 -1.065 19425 15722 1 19 . 1 1 52 52 THR H H 52 8.199 8.199 8.152 0.047 19425 15723 1 19 . 1 1 65 65 CYS N N 65 117.553 117.553 119.934 -2.381 19425 15724 1 19 . 1 1 65 65 CYS C C 65 176.948 176.948 174.426 2.522 19425 15725 1 19 . 1 1 65 65 CYS CA C 65 57.900 57.900 56.363 1.537 19425 15726 1 19 . 1 1 65 65 CYS CB C 65 30.290 30.290 27.280 3.010 19425 15727 1 19 . 1 1 65 65 CYS H H 65 7.539 7.539 7.720 -0.181 19425 15728 1 19 . 1 1 66 66 THR N N 66 113.614 113.614 119.218 -5.604 19425 15729 1 19 . 1 1 66 66 THR C C 66 180.325 180.325 173.480 6.845 19425 15730 1 19 . 1 1 66 66 THR CA C 66 63.399 63.399 63.989 -0.590 19425 15731 1 19 . 1 1 66 66 THR CB C 66 69.281 69.281 68.984 0.297 19425 15732 1 19 . 1 1 66 66 THR H H 66 6.851 6.851 7.295 -0.444 19425 15733 1 19 . 1 1 67 67 PHE N N 67 126.248 126.248 125.027 1.221 19425 15734 1 19 . 1 1 67 67 PHE C C 67 174.424 174.424 174.007 0.417 19425 15735 1 19 . 1 1 67 67 PHE CA C 67 56.184 56.184 56.789 -0.606 19425 15736 1 19 . 1 1 67 67 PHE CB C 67 43.291 43.291 44.115 -0.824 19425 15737 1 19 . 1 1 67 67 PHE H H 67 9.603 9.603 9.372 0.231 19425 15738 1 19 . 1 1 68 68 VAL N N 68 121.310 121.310 119.068 2.242 19425 15739 1 19 . 1 1 68 68 VAL C C 68 173.719 173.719 175.552 -1.833 19425 15740 1 19 . 1 1 68 68 VAL CA C 68 60.935 60.935 60.773 0.162 19425 15741 1 19 . 1 1 68 68 VAL CB C 68 34.522 34.522 34.280 0.242 19425 15742 1 19 . 1 1 68 68 VAL H H 68 9.968 9.968 8.661 1.307 19425 15743 1 19 . 1 1 69 69 LEU N N 69 127.011 127.011 128.791 -1.780 19425 15744 1 19 . 1 1 69 69 LEU C C 69 177.152 177.152 178.041 -0.889 19425 15745 1 19 . 1 1 69 69 LEU CA C 69 53.083 53.083 54.444 -1.361 19425 15746 1 19 . 1 1 69 69 LEU CB C 69 39.652 39.652 39.356 0.296 19425 15747 1 19 . 1 1 69 69 LEU H H 69 8.135 8.135 8.708 -0.573 19425 15748 1 19 . 1 1 70 70 GLU N N 70 129.683 129.683 121.606 8.077 19425 15749 1 19 . 1 1 70 70 GLU C C 70 174.869 174.869 176.793 -1.924 19425 15750 1 19 . 1 1 70 70 GLU CA C 70 59.747 59.747 59.075 0.672 19425 15751 1 19 . 1 1 70 70 GLU CB C 70 31.291 31.291 29.863 1.428 19425 15752 1 19 . 1 1 70 70 GLU H H 70 8.654 8.654 8.319 0.335 19425 15753 1 19 . 1 1 71 71 GLN N N 71 110.287 110.287 117.116 -6.829 19425 15754 1 19 . 1 1 71 71 GLN C C 71 176.094 176.094 175.075 1.019 19425 15755 1 19 . 1 1 71 71 GLN CA C 71 54.030 54.030 54.560 -0.530 19425 15756 1 19 . 1 1 71 71 GLN CB C 71 33.112 33.112 32.442 0.670 19425 15757 1 19 . 1 1 71 71 GLN H H 71 7.318 7.318 7.652 -0.334 19425 15758 1 19 . 1 1 72 72 SER N N 72 116.205 116.205 117.033 -0.828 19425 15759 1 19 . 1 1 72 72 SER C C 72 174.035 174.035 173.362 0.673 19425 15760 1 19 . 1 1 72 72 SER CA C 72 58.132 58.132 58.249 -0.117 19425 15761 1 19 . 1 1 72 72 SER CB C 72 64.295 64.295 63.022 1.273 19425 15762 1 19 . 1 1 72 72 SER H H 72 8.380 8.380 8.644 -0.264 19425 15763 1 19 . 1 1 73 73 LEU N N 73 127.858 127.858 124.188 3.670 19425 15764 1 19 . 1 1 73 73 LEU C C 73 173.701 173.701 175.648 -1.947 19425 15765 1 19 . 1 1 73 73 LEU CA C 73 53.347 53.347 53.134 0.213 19425 15766 1 19 . 1 1 73 73 LEU CB C 73 45.926 45.926 44.685 1.241 19425 15767 1 19 . 1 1 73 73 LEU H H 73 9.532 9.532 8.766 0.766 19425 15768 1 19 . 1 1 74 74 SER N N 74 115.724 115.724 114.628 1.096 19425 15769 1 19 . 1 1 74 74 SER C C 74 177.541 177.541 175.993 1.548 19425 15770 1 19 . 1 1 74 74 SER CA C 74 57.905 57.905 57.281 0.625 19425 15771 1 19 . 1 1 74 74 SER CB C 74 63.901 63.901 63.613 0.288 19425 15772 1 19 . 1 1 74 74 SER H H 74 8.240 8.240 8.164 0.076 19425 15773 1 19 . 1 1 75 75 VAL N N 75 122.994 122.994 126.708 -3.714 19425 15774 1 19 . 1 1 75 75 VAL C C 75 174.610 174.610 177.322 -2.712 19425 15775 1 19 . 1 1 75 75 VAL CA C 75 67.104 67.104 66.896 0.208 19425 15776 1 19 . 1 1 75 75 VAL CB C 75 30.953 30.953 31.541 -0.588 19425 15777 1 19 . 1 1 75 75 VAL H H 75 9.056 9.056 9.006 0.050 19425 15778 1 19 . 1 1 76 76 ARG N N 76 119.193 119.193 120.119 -0.926 19425 15779 1 19 . 1 1 76 76 ARG C C 76 178.228 178.228 178.077 0.151 19425 15780 1 19 . 1 1 76 76 ARG CA C 76 59.087 59.087 59.932 -0.845 19425 15781 1 19 . 1 1 76 76 ARG CB C 76 29.280 29.280 29.878 -0.598 19425 15782 1 19 . 1 1 76 76 ARG H H 76 8.137 8.137 7.605 0.532 19425 15783 1 19 . 1 1 77 77 ALA N N 77 122.977 122.977 120.353 2.624 19425 15784 1 19 . 1 1 77 77 ALA C C 77 178.506 178.506 179.647 -1.141 19425 15785 1 19 . 1 1 77 77 ALA CA C 77 54.926 54.926 54.555 0.371 19425 15786 1 19 . 1 1 77 77 ALA CB C 77 18.231 18.231 17.882 0.349 19425 15787 1 19 . 1 1 77 77 ALA H H 77 7.699 7.699 8.003 -0.304 19425 15788 1 19 . 1 1 78 78 LEU N N 78 121.115 121.115 120.147 0.968 19425 15789 1 19 . 1 1 78 78 LEU C C 78 180.640 180.640 178.347 2.293 19425 15790 1 19 . 1 1 78 78 LEU CA C 78 57.985 57.985 57.349 0.637 19425 15791 1 19 . 1 1 78 78 LEU CB C 78 40.522 40.522 41.306 -0.784 19425 15792 1 19 . 1 1 78 78 LEU H H 78 8.303 8.303 8.296 0.007 19425 15793 1 19 . 1 1 79 79 GLN N N 79 116.873 116.873 117.423 -0.550 19425 15794 1 19 . 1 1 79 79 GLN C C 79 177.875 177.875 178.347 -0.472 19425 15795 1 19 . 1 1 79 79 GLN CA C 79 59.069 59.069 59.113 -0.044 19425 15796 1 19 . 1 1 79 79 GLN CB C 79 27.254 27.254 28.389 -1.135 19425 15797 1 19 . 1 1 79 79 GLN H H 79 8.390 8.390 8.181 0.209 19425 15798 1 19 . 1 1 80 80 GLU N N 80 120.455 120.455 121.005 -0.550 19425 15799 1 19 . 1 1 80 80 GLU C C 80 179.749 179.749 178.760 0.989 19425 15800 1 19 . 1 1 80 80 GLU CA C 80 59.413 59.413 59.314 0.099 19425 15801 1 19 . 1 1 80 80 GLU CB C 80 29.142 29.142 29.517 -0.375 19425 15802 1 19 . 1 1 80 80 GLU H H 80 7.942 7.942 7.883 0.059 19425 15803 1 19 . 1 1 81 81 MET N N 81 120.541 120.541 118.630 1.911 19425 15804 1 19 . 1 1 81 81 MET C C 81 178.599 178.599 178.939 -0.340 19425 15805 1 19 . 1 1 81 81 MET CA C 81 59.665 59.665 59.182 0.483 19425 15806 1 19 . 1 1 81 81 MET CB C 81 32.534 32.534 32.722 -0.188 19425 15807 1 19 . 1 1 81 81 MET H H 81 7.870 7.870 7.987 -0.117 19425 15808 1 19 . 1 1 82 82 LEU N N 82 119.662 119.662 118.785 0.877 19425 15809 1 19 . 1 1 82 82 LEU C C 82 179.638 179.638 179.153 0.485 19425 15810 1 19 . 1 1 82 82 LEU CA C 82 57.669 57.669 57.146 0.523 19425 15811 1 19 . 1 1 82 82 LEU CB C 82 40.783 40.783 41.660 -0.877 19425 15812 1 19 . 1 1 82 82 LEU H H 82 8.488 8.488 7.930 0.558 19425 15813 1 19 . 1 1 83 83 ALA N N 83 120.827 120.827 120.891 -0.064 19425 15814 1 19 . 1 1 83 83 ALA C C 83 179.323 179.323 179.465 -0.142 19425 15815 1 19 . 1 1 83 83 ALA CA C 83 54.073 54.073 54.856 -0.783 19425 15816 1 19 . 1 1 83 83 ALA CB C 83 18.326 18.326 18.471 -0.145 19425 15817 1 19 . 1 1 83 83 ALA H H 83 7.704 7.704 8.054 -0.350 19425 15818 1 19 . 1 1 84 84 ASN N N 84 115.853 115.853 113.301 2.552 19425 15819 1 19 . 1 1 84 84 ASN C C 84 178.944 178.944 176.034 2.910 19425 15820 1 19 . 1 1 84 84 ASN CA C 84 54.167 54.167 54.940 -0.773 19425 15821 1 19 . 1 1 84 84 ASN CB C 84 39.465 39.465 38.513 0.952 19425 15822 1 19 . 1 1 84 84 ASN H H 84 7.729 7.729 7.952 -0.223 19425 15823 1 19 . 1 1 85 85 THR N N 85 112.611 112.611 108.412 4.199 19425 15824 1 19 . 1 1 85 85 THR C C 85 175.569 175.569 175.741 -0.172 19425 15825 1 19 . 1 1 85 85 THR CA C 85 63.086 63.086 62.990 0.096 19425 15826 1 19 . 1 1 85 85 THR CB C 85 70.071 70.071 68.854 1.217 19425 15827 1 19 . 1 1 85 85 THR H H 85 7.698 7.698 7.194 0.504 19425 15828 1 19 . 1 1 86 86 VAL N N 86 121.812 121.812 120.387 1.425 19425 15829 1 19 . 1 1 86 86 VAL C C 86 174.573 174.573 176.617 -2.044 19425 15830 1 19 . 1 1 86 86 VAL CA C 86 62.811 62.811 64.045 -1.234 19425 15831 1 19 . 1 1 86 86 VAL CB C 86 32.730 32.730 31.825 0.905 19425 15832 1 19 . 1 1 86 86 VAL H H 86 7.874 7.874 7.322 0.552 19425 15833 1 19 . 1 1 87 87 GLU N N 87 124.330 124.330 118.176 6.154 19425 15834 1 19 . 1 1 87 87 GLU C C 87 176.280 176.280 175.182 1.098 19425 15835 1 19 . 1 1 87 87 GLU CA C 87 56.877 56.877 54.566 2.311 19425 15836 1 19 . 1 1 87 87 GLU CB C 87 29.852 29.852 31.926 -2.074 19425 15837 1 19 . 1 1 87 87 GLU H H 87 8.403 8.403 7.805 0.598 19425 15838 1 19 . 1 1 88 88 LYS N N 88 122.065 122.065 120.252 1.813 19425 15839 1 19 . 1 1 88 88 LYS C C 88 176.966 176.966 176.980 -0.014 19425 15840 1 19 . 1 1 88 88 LYS CA C 88 56.799 56.799 56.269 0.530 19425 15841 1 19 . 1 1 88 88 LYS CB C 88 32.597 32.597 32.617 -0.020 19425 15842 1 19 . 1 1 88 88 LYS H H 88 8.330 8.330 8.374 -0.044 19425 15843 1 19 . 1 1 89 89 SER N N 89 116.192 116.192 115.758 0.434 19425 15844 1 19 . 1 1 89 89 SER C C 89 176.865 176.865 175.038 1.827 19425 15845 1 19 . 1 1 89 89 SER CA C 89 59.008 59.008 58.002 1.006 19425 15846 1 19 . 1 1 89 89 SER CB C 89 63.765 63.765 64.314 -0.549 19425 15847 1 19 . 1 1 89 89 SER H H 89 8.247 8.247 8.379 -0.132 19425 15848 1 19 . 1 1 90 90 GLU N N 90 122.006 122.006 124.592 -2.586 19425 15849 1 19 . 1 1 90 90 GLU C C 90 174.702 174.702 176.973 -2.271 19425 15850 1 19 . 1 1 90 90 GLU CA C 90 57.231 57.231 56.020 1.211 19425 15851 1 19 . 1 1 90 90 GLU CB C 90 29.442 29.442 28.901 0.541 19425 15852 1 19 . 1 1 90 90 GLU H H 90 8.560 8.560 8.618 -0.058 19425 15853 1 19 . 1 1 91 91 GLY N N 91 110.052 110.052 115.051 -4.999 19425 15854 1 19 . 1 1 91 91 GLY C C 91 177.170 177.170 174.409 2.761 19425 15855 1 19 . 1 1 91 91 GLY CA C 91 45.634 45.634 45.023 0.611 19425 15856 1 19 . 1 1 91 91 GLY H H 91 8.358 8.358 8.429 -0.071 19425 15857 1 19 . 1 1 92 92 GLN N N 92 120.053 120.053 117.784 2.269 19425 15858 1 19 . 1 1 92 92 GLN C C 92 173.905 173.905 175.982 -2.077 19425 15859 1 19 . 1 1 92 92 GLN CA C 92 55.261 55.261 56.169 -0.907 19425 15860 1 19 . 1 1 92 92 GLN CB C 92 29.573 29.573 28.070 1.504 19425 15861 1 19 . 1 1 92 92 GLN H H 92 8.075 8.075 7.836 0.239 19425 15862 1 19 . 1 1 93 93 VAL N N 93 123.434 123.434 118.052 5.382 19425 15863 1 19 . 1 1 93 93 VAL C C 93 175.667 175.667 175.867 -0.200 19425 15864 1 19 . 1 1 93 93 VAL CA C 93 62.914 62.914 64.231 -1.317 19425 15865 1 19 . 1 1 93 93 VAL CB C 93 32.629 32.629 31.725 0.904 19425 15866 1 19 . 1 1 93 93 VAL H H 93 8.370 8.370 8.349 0.021 19425 15867 1 19 . 1 1 94 94 ASP N N 94 125.761 125.761 120.578 5.183 19425 15868 1 19 . 1 1 94 94 ASP C C 94 175.704 175.704 175.116 0.588 19425 15869 1 19 . 1 1 94 94 ASP CA C 94 53.743 53.743 54.430 -0.687 19425 15870 1 19 . 1 1 94 94 ASP CB C 94 40.771 40.771 39.319 1.452 19425 15871 1 19 . 1 1 94 94 ASP H H 94 8.550 8.550 7.987 0.563 19425 15872 1 19 . 1 1 95 95 VAL N N 95 125.064 125.064 121.400 3.664 19425 15873 1 19 . 1 1 95 95 VAL C C 95 176.465 176.465 176.871 -0.406 19425 15874 1 19 . 1 1 95 95 VAL CA C 95 65.487 65.487 64.029 1.458 19425 15875 1 19 . 1 1 95 95 VAL CB C 95 31.773 31.773 31.857 -0.084 19425 15876 1 19 . 1 1 95 95 VAL H H 95 8.300 8.300 7.383 0.917 19425 15877 1 19 . 1 1 96 96 GLU N N 96 120.880 120.880 121.556 -0.676 19425 15878 1 19 . 1 1 96 96 GLU C C 96 177.523 177.523 177.682 -0.159 19425 15879 1 19 . 1 1 96 96 GLU CA C 96 59.157 59.157 58.625 0.532 19425 15880 1 19 . 1 1 96 96 GLU CB C 96 28.575 28.575 29.335 -0.760 19425 15881 1 19 . 1 1 96 96 GLU H H 96 8.297 8.297 8.500 -0.203 19425 15882 1 19 . 1 1 97 97 LYS N N 97 121.943 121.943 119.146 2.797 19425 15883 1 19 . 1 1 97 97 LYS C C 97 179.434 179.434 178.705 0.729 19425 15884 1 19 . 1 1 97 97 LYS CA C 97 59.186 59.186 57.864 1.322 19425 15885 1 19 . 1 1 97 97 LYS CB C 97 32.036 32.036 32.539 -0.503 19425 15886 1 19 . 1 1 97 97 LYS H H 97 7.979 7.979 8.207 -0.228 19425 15887 1 19 . 1 1 98 98 TRP N N 98 121.420 121.420 123.136 -1.716 19425 15888 1 19 . 1 1 98 98 TRP C C 98 178.673 178.673 177.622 1.051 19425 15889 1 19 . 1 1 98 98 TRP CA C 98 60.176 60.176 60.553 -0.377 19425 15890 1 19 . 1 1 98 98 TRP CB C 98 29.340 29.340 29.267 0.073 19425 15891 1 19 . 1 1 98 98 TRP H H 98 8.202 8.202 8.282 -0.080 19425 15892 1 19 . 1 1 99 99 LYS N N 99 118.236 118.236 116.945 1.291 19425 15893 1 19 . 1 1 99 99 LYS C C 99 177.374 177.374 178.858 -1.484 19425 15894 1 19 . 1 1 99 99 LYS CA C 99 59.812 59.812 59.463 0.349 19425 15895 1 19 . 1 1 99 99 LYS CB C 99 32.042 32.042 31.922 0.120 19425 15896 1 19 . 1 1 99 99 LYS H H 99 8.346 8.346 8.579 -0.233 19425 15897 1 19 . 1 1 100 100 PHE N N 100 120.365 120.365 121.215 -0.850 19425 15898 1 19 . 1 1 100 100 PHE C C 100 179.193 179.193 177.191 2.002 19425 15899 1 19 . 1 1 100 100 PHE CA C 100 60.902 60.902 61.431 -0.529 19425 15900 1 19 . 1 1 100 100 PHE CB C 100 38.875 38.875 39.300 -0.425 19425 15901 1 19 . 1 1 100 100 PHE H H 100 7.916 7.916 7.840 0.076 19425 15902 1 19 . 1 1 101 101 MET N N 101 121.837 121.837 120.806 1.031 19425 15903 1 19 . 1 1 101 101 MET C C 101 178.172 178.172 178.085 0.087 19425 15904 1 19 . 1 1 101 101 MET CA C 101 58.625 58.625 57.599 1.026 19425 15905 1 19 . 1 1 101 101 MET CB C 101 32.081 32.081 32.295 -0.214 19425 15906 1 19 . 1 1 101 101 MET H H 101 8.393 8.393 8.103 0.290 19425 15907 1 19 . 1 1 102 102 MET N N 102 119.901 119.901 117.571 2.330 19425 15908 1 19 . 1 1 102 102 MET C C 102 178.655 178.655 178.329 0.326 19425 15909 1 19 . 1 1 102 102 MET CA C 102 57.867 57.867 56.590 1.278 19425 15910 1 19 . 1 1 102 102 MET CB C 102 32.414 32.414 30.449 1.965 19425 15911 1 19 . 1 1 102 102 MET H H 102 8.174 8.174 8.180 -0.006 19425 15912 1 19 . 1 1 103 103 LYS N N 103 120.555 120.555 120.492 0.063 19425 15913 1 19 . 1 1 103 103 LYS C C 103 177.857 177.857 179.083 -1.226 19425 15914 1 19 . 1 1 103 103 LYS CA C 103 58.592 58.592 59.330 -0.738 19425 15915 1 19 . 1 1 103 103 LYS CB C 103 31.816 31.816 31.835 -0.019 19425 15916 1 19 . 1 1 103 103 LYS H H 103 7.899 7.899 7.907 -0.008 19425 15917 1 19 . 1 1 104 104 THR N N 104 115.450 115.450 112.594 2.856 19425 15918 1 19 . 1 1 104 104 THR C C 104 179.267 179.267 176.412 2.855 19425 15919 1 19 . 1 1 104 104 THR CA C 104 64.914 64.914 65.886 -0.972 19425 15920 1 19 . 1 1 104 104 THR CB C 104 69.103 69.103 68.424 0.679 19425 15921 1 19 . 1 1 104 104 THR H H 104 7.895 7.895 7.953 -0.058 19425 15922 1 19 . 1 1 105 105 ALA N N 105 124.862 124.862 123.652 1.210 19425 15923 1 19 . 1 1 105 105 ALA C C 105 176.057 176.057 178.936 -2.879 19425 15924 1 19 . 1 1 105 105 ALA CA C 105 54.106 54.106 54.581 -0.475 19425 15925 1 19 . 1 1 105 105 ALA CB C 105 18.493 18.493 18.269 0.224 19425 15926 1 19 . 1 1 105 105 ALA H H 105 7.896 7.896 7.837 0.059 19425 15927 1 19 . 1 1 106 106 GLN N N 106 117.285 117.285 117.152 0.133 19425 15928 1 19 . 1 1 106 106 GLN C C 106 178.655 178.655 177.868 0.787 19425 15929 1 19 . 1 1 106 106 GLN CA C 106 56.913 56.913 57.281 -0.368 19425 15930 1 19 . 1 1 106 106 GLN CB C 106 29.148 29.148 29.355 -0.207 19425 15931 1 19 . 1 1 106 106 GLN H H 106 7.944 7.944 7.856 0.088 19425 15932 1 19 . 1 1 107 107 GLY N N 107 107.494 107.494 107.784 -0.290 19425 15933 1 19 . 1 1 107 107 GLY C C 107 177.597 177.597 175.291 2.306 19425 15934 1 19 . 1 1 107 107 GLY CA C 107 45.975 45.975 45.676 0.299 19425 15935 1 19 . 1 1 107 107 GLY H H 107 7.852 7.852 7.628 0.224 19425 15936 1 19 . 1 1 108 108 GLY N N 108 109.642 109.642 109.503 0.139 19425 15937 1 19 . 1 1 108 108 GLY C C 108 174.740 174.740 174.829 -0.089 19425 15938 1 19 . 1 1 108 108 GLY CA C 108 45.151 45.151 44.406 0.745 19425 15939 1 19 . 1 1 108 108 GLY H H 108 8.313 8.313 7.839 0.474 19425 15940 1 19 . 1 1 109 109 GLY N N 109 108.058 108.058 106.451 1.607 19425 15941 1 19 . 1 1 109 109 GLY C C 109 174.313 174.313 173.874 0.439 19425 15942 1 19 . 1 1 109 109 GLY CA C 109 44.659 44.659 44.574 0.085 19425 15943 1 19 . 1 1 109 109 GLY H H 109 8.059 8.059 8.163 -0.104 19425 15944 1 19 . 1 1 110 110 HIS N N 110 118.432 118.432 111.458 6.974 19425 15945 1 19 . 1 1 110 110 HIS C C 110 173.348 173.348 174.537 -1.189 19425 15946 1 19 . 1 1 110 110 HIS CA C 110 55.590 55.590 57.421 -1.831 19425 15947 1 19 . 1 1 110 110 HIS CB C 110 28.502 28.502 27.404 1.098 19425 15948 1 19 . 1 1 110 110 HIS H H 110 8.261 8.261 8.305 -0.044 19425 15949 1 19 . 1 1 111 111 ARG N N 111 122.052 122.052 118.857 3.195 19425 15950 1 19 . 1 1 111 111 ARG C C 111 174.908 174.908 175.765 -0.857 19425 15951 1 19 . 1 1 111 111 ARG CA C 111 55.233 55.233 54.950 0.283 19425 15952 1 19 . 1 1 111 111 ARG CB C 111 31.125 31.125 31.329 -0.204 19425 15953 1 19 . 1 1 111 111 ARG H H 111 8.597 8.597 8.150 0.447 19425 15954 1 19 . 1 1 112 112 THR N N 112 120.248 120.248 117.466 2.782 19425 15955 1 19 . 1 1 112 112 THR C C 112 176.447 176.447 174.531 1.916 19425 15956 1 19 . 1 1 112 112 THR CA C 112 63.723 63.723 62.913 0.810 19425 15957 1 19 . 1 1 112 112 THR CB C 112 68.984 68.984 69.651 -0.667 19425 15958 1 19 . 1 1 112 112 THR H H 112 8.577 8.577 8.292 0.285 19425 15959 1 19 . 1 1 113 113 LEU N N 113 130.382 130.382 126.432 3.950 19425 15960 1 19 . 1 1 113 113 LEU C C 113 174.294 174.294 175.283 -0.989 19425 15961 1 19 . 1 1 113 113 LEU CA C 113 56.791 56.791 54.992 1.799 19425 15962 1 19 . 1 1 113 113 LEU CB C 113 41.705 41.705 42.822 -1.117 19425 15963 1 19 . 1 1 113 113 LEU H H 113 8.515 8.515 8.806 -0.291 19425 15964 1 19 . 1 1 114 114 LEU N N 114 118.829 118.829 122.194 -3.365 19425 15965 1 19 . 1 1 114 114 LEU C C 114 175.278 175.278 176.676 -1.398 19425 15966 1 19 . 1 1 114 114 LEU CA C 114 51.667 51.667 52.556 -0.888 19425 15967 1 19 . 1 1 114 114 LEU CB C 114 42.454 42.454 44.210 -1.756 19425 15968 1 19 . 1 1 114 114 LEU H H 114 6.454 6.454 8.054 -1.600 19425 15969 1 19 . 1 1 115 115 TYR N N 115 119.059 119.059 121.407 -2.348 19425 15970 1 19 . 1 1 115 115 TYR C C 115 177.152 177.152 177.294 -0.142 19425 15971 1 19 . 1 1 115 115 TYR CA C 115 62.452 62.452 60.728 1.724 19425 15972 1 19 . 1 1 115 115 TYR CB C 115 38.058 38.058 37.939 0.119 19425 15973 1 19 . 1 1 115 115 TYR H H 115 8.797 8.797 8.717 0.080 19425 15974 1 19 . 1 1 116 116 GLY N N 116 115.795 115.795 113.408 2.387 19425 15975 1 19 . 1 1 116 116 GLY C C 116 178.061 178.061 173.929 4.132 19425 15976 1 19 . 1 1 116 116 GLY CA C 116 45.100 45.100 45.061 0.039 19425 15977 1 19 . 1 1 116 116 GLY H H 116 9.672 9.672 9.095 0.577 19425 15978 1 19 . 1 1 117 117 HIS N N 117 122.193 122.193 121.547 0.646 19425 15979 1 19 . 1 1 117 117 HIS C C 117 175.463 175.463 173.773 1.690 19425 15980 1 19 . 1 1 117 117 HIS CA C 117 56.119 56.119 55.807 0.312 19425 15981 1 19 . 1 1 117 117 HIS CB C 117 32.293 32.293 30.355 1.938 19425 15982 1 19 . 1 1 117 117 HIS H H 117 8.113 8.113 7.832 0.281 19425 15983 1 19 . 1 1 118 118 ALA N N 118 120.893 120.893 126.490 -5.597 19425 15984 1 19 . 1 1 118 118 ALA C C 118 173.775 173.775 176.114 -2.339 19425 15985 1 19 . 1 1 118 118 ALA CA C 118 50.378 50.378 51.385 -1.007 19425 15986 1 19 . 1 1 118 118 ALA CB C 118 21.646 21.646 19.498 2.148 19425 15987 1 19 . 1 1 118 118 ALA H H 118 9.458 9.458 8.937 0.521 19425 15988 1 19 . 1 1 120 120 LEU N N 120 119.631 119.631 123.797 -4.166 19425 15989 1 19 . 1 1 120 120 LEU C C 120 173.367 173.367 174.744 -1.377 19425 15990 1 19 . 1 1 120 120 LEU CA C 120 56.217 56.217 52.899 3.318 19425 15991 1 19 . 1 1 120 120 LEU CB C 120 39.519 39.519 44.184 -4.665 19425 15992 1 19 . 1 1 120 120 LEU H H 120 8.746 8.746 8.204 0.542 19425 15993 1 19 . 1 1 121 121 LEU N N 121 118.900 118.900 126.906 -8.006 19425 15994 1 19 . 1 1 121 121 LEU C C 121 171.400 171.400 175.756 -4.356 19425 15995 1 19 . 1 1 121 121 LEU CA C 121 52.852 52.852 53.654 -0.802 19425 15996 1 19 . 1 1 121 121 LEU CB C 121 43.452 43.452 42.900 0.552 19425 15997 1 19 . 1 1 121 121 LEU H H 121 8.590 8.590 8.630 -0.040 19425 15998 1 19 . 1 1 122 122 ARG N N 122 123.588 123.588 124.945 -1.357 19425 15999 1 19 . 1 1 122 122 ARG C C 122 176.465 176.465 175.497 0.968 19425 16000 1 19 . 1 1 122 122 ARG CA C 122 54.403 54.403 54.031 0.372 19425 16001 1 19 . 1 1 122 122 ARG CB C 122 32.897 32.897 31.647 1.250 19425 16002 1 19 . 1 1 122 122 ARG H H 122 9.077 9.077 8.753 0.324 19425 16003 1 19 . 1 1 123 123 HIS N N 123 131.440 131.440 127.850 3.590 19425 16004 1 19 . 1 1 123 123 HIS C C 123 175.704 175.704 175.564 0.140 19425 16005 1 19 . 1 1 123 123 HIS CA C 123 56.637 56.637 56.733 -0.096 19425 16006 1 19 . 1 1 123 123 HIS CB C 123 31.261 31.261 30.198 1.063 19425 16007 1 19 . 1 1 123 123 HIS H H 123 9.622 9.622 8.560 1.062 19425 16008 1 19 . 1 1 124 124 SER N N 124 127.024 127.024 124.901 2.123 19425 16009 1 19 . 1 1 124 124 SER C C 124 175.686 175.686 176.099 -0.413 19425 16010 1 19 . 1 1 124 124 SER CA C 124 62.010 62.010 61.741 0.269 19425 16011 1 19 . 1 1 124 124 SER CB C 124 62.912 62.912 62.743 0.169 19425 16012 1 19 . 1 1 124 124 SER H H 124 7.840 7.840 7.941 -0.101 19425 16013 1 19 . 1 1 125 125 TYR N N 125 119.708 119.708 121.050 -1.342 19425 16014 1 19 . 1 1 125 125 TYR C C 125 180.696 180.696 176.951 3.745 19425 16015 1 19 . 1 1 125 125 TYR CA C 125 60.903 60.903 60.430 0.473 19425 16016 1 19 . 1 1 125 125 TYR CB C 125 38.744 38.744 38.535 0.209 19425 16017 1 19 . 1 1 125 125 TYR H H 125 8.746 8.746 7.392 1.354 19425 16018 1 19 . 1 1 126 126 SER N N 126 110.333 110.333 113.957 -3.624 19425 16019 1 19 . 1 1 126 126 SER C C 126 176.543 176.543 175.662 0.881 19425 16020 1 19 . 1 1 126 126 SER CA C 126 59.366 59.366 58.708 0.658 19425 16021 1 19 . 1 1 126 126 SER CB C 126 65.282 65.282 64.411 0.871 19425 16022 1 19 . 1 1 126 126 SER H H 126 7.004 7.004 7.977 -0.973 19425 16023 1 19 . 1 1 127 127 GLY N N 127 113.322 113.322 108.805 4.517 19425 16024 1 19 . 1 1 127 127 GLY C C 127 176.428 176.428 174.068 2.360 19425 16025 1 19 . 1 1 127 127 GLY CA C 127 46.064 46.064 45.692 0.372 19425 16026 1 19 . 1 1 127 127 GLY H H 127 8.181 8.181 8.475 -0.294 19425 16027 1 19 . 1 1 128 128 MET N N 128 118.598 118.598 118.404 0.194 19425 16028 1 19 . 1 1 128 128 MET C C 128 173.200 173.200 174.862 -1.662 19425 16029 1 19 . 1 1 128 128 MET CA C 128 55.429 55.429 56.601 -1.172 19425 16030 1 19 . 1 1 128 128 MET CB C 128 35.988 35.988 34.327 1.661 19425 16031 1 19 . 1 1 128 128 MET H H 128 7.551 7.551 7.511 0.040 19425 16032 1 19 . 1 1 129 129 TYR N N 129 116.715 116.715 114.550 2.165 19425 16033 1 19 . 1 1 129 129 TYR C C 129 172.884 172.884 175.889 -3.005 19425 16034 1 19 . 1 1 129 129 TYR CA C 129 58.658 58.658 57.117 1.541 19425 16035 1 19 . 1 1 129 129 TYR CB C 129 40.914 40.914 41.045 -0.131 19425 16036 1 19 . 1 1 129 129 TYR H H 129 8.923 8.923 8.554 0.369 19425 16037 1 19 . 1 1 130 130 LEU N N 130 123.061 123.061 124.844 -1.783 19425 16038 1 19 . 1 1 130 130 LEU C C 130 176.677 176.677 176.517 0.160 19425 16039 1 19 . 1 1 130 130 LEU CA C 130 56.311 56.311 56.336 -0.025 19425 16040 1 19 . 1 1 130 130 LEU CB C 130 42.909 42.909 42.310 0.599 19425 16041 1 19 . 1 1 130 130 LEU H H 130 8.236 8.236 8.979 -0.743 19425 16042 1 19 . 1 1 131 131 CYS N N 131 126.618 126.618 126.962 -0.344 19425 16043 1 19 . 1 1 131 131 CYS C C 131 177.616 177.616 173.024 4.592 19425 16044 1 19 . 1 1 131 131 CYS CA C 131 57.028 57.028 57.594 -0.566 19425 16045 1 19 . 1 1 131 131 CYS CB C 131 32.339 32.339 31.464 0.875 19425 16046 1 19 . 1 1 131 131 CYS H H 131 9.516 9.516 9.438 0.078 19425 16047 1 19 . 1 1 132 132 CYS N N 132 124.860 124.860 127.781 -2.921 19425 16048 1 19 . 1 1 132 132 CYS C C 132 172.309 172.309 174.332 -2.023 19425 16049 1 19 . 1 1 132 132 CYS CA C 132 59.436 59.436 57.627 1.809 19425 16050 1 19 . 1 1 132 132 CYS CB C 132 27.383 27.383 25.813 1.570 19425 16051 1 19 . 1 1 132 132 CYS H H 132 8.142 8.142 8.246 -0.104 19425 16052 1 19 . 1 1 133 133 LEU N N 133 131.382 131.382 127.622 3.760 19425 16053 1 19 . 1 1 133 133 LEU C C 133 174.035 174.035 177.633 -3.598 19425 16054 1 19 . 1 1 133 133 LEU CA C 133 54.799 54.799 54.521 0.278 19425 16055 1 19 . 1 1 133 133 LEU CB C 133 41.109 41.109 42.449 -1.340 19425 16056 1 19 . 1 1 133 133 LEU H H 133 9.008 9.008 8.181 0.827 19425 16057 1 19 . 1 1 134 134 SER N N 134 112.103 112.103 113.950 -1.847 19425 16058 1 19 . 1 1 134 134 SER C C 134 175.519 175.519 174.367 1.152 19425 16059 1 19 . 1 1 134 134 SER CA C 134 58.320 58.320 58.519 -0.199 19425 16060 1 19 . 1 1 134 134 SER CB C 134 63.979 63.979 62.764 1.215 19425 16061 1 19 . 1 1 134 134 SER H H 134 8.229 8.229 8.486 -0.257 19425 16062 1 19 . 1 1 135 135 THR N N 135 111.693 111.693 112.718 -1.025 19425 16063 1 19 . 1 1 135 135 THR C C 135 174.535 174.535 175.408 -0.873 19425 16064 1 19 . 1 1 135 135 THR CA C 135 60.703 60.703 60.876 -0.173 19425 16065 1 19 . 1 1 135 135 THR CB C 135 70.624 70.624 70.241 0.383 19425 16066 1 19 . 1 1 135 135 THR H H 135 7.292 7.292 7.445 -0.153 19425 16067 1 19 . 1 1 136 136 SER N N 136 117.260 117.260 122.523 -5.263 19425 16068 1 19 . 1 1 136 136 SER C C 136 173.478 173.478 174.690 -1.212 19425 16069 1 19 . 1 1 136 136 SER CA C 136 57.537 57.537 61.957 -4.420 19425 16070 1 19 . 1 1 136 136 SER CB C 136 64.593 64.593 63.873 0.721 19425 16071 1 19 . 1 1 136 136 SER H H 136 8.544 8.544 9.111 -0.567 19425 16072 1 19 . 1 1 137 137 ARG N N 137 124.804 124.804 115.950 8.854 19425 16073 1 19 . 1 1 137 137 ARG C C 137 175.000 175.000 174.883 0.117 19425 16074 1 19 . 1 1 137 137 ARG CA C 137 56.922 56.922 57.150 -0.228 19425 16075 1 19 . 1 1 137 137 ARG CB C 137 30.733 30.733 30.448 0.285 19425 16076 1 19 . 1 1 137 137 ARG H H 137 9.231 9.231 8.292 0.939 19425 16077 1 19 . 1 1 138 138 SER N N 138 126.225 126.225 114.903 11.322 19425 16078 1 19 . 1 1 138 138 SER C C 138 175.871 175.871 174.490 1.381 19425 16079 1 19 . 1 1 138 138 SER CA C 138 61.891 61.891 58.593 3.298 19425 16080 1 19 . 1 1 138 138 SER CB C 138 62.730 62.730 64.176 -1.446 19425 16081 1 19 . 1 1 138 138 SER H H 138 7.891 7.891 8.056 -0.165 19425 16082 1 19 . 1 1 140 140 THR N N 140 114.799 114.799 111.609 3.190 19425 16083 1 19 . 1 1 140 140 THR C C 140 173.756 173.756 174.769 -1.013 19425 16084 1 19 . 1 1 140 140 THR CA C 140 62.895 62.895 61.541 1.354 19425 16085 1 19 . 1 1 140 140 THR CB C 140 69.332 69.332 69.360 -0.028 19425 16086 1 19 . 1 1 140 140 THR H H 140 8.168 8.168 7.847 0.321 19425 16087 1 19 . 1 1 141 141 ASP N N 141 121.772 121.772 121.441 0.331 19425 16088 1 19 . 1 1 141 141 ASP C C 141 174.795 174.795 175.392 -0.597 19425 16089 1 19 . 1 1 141 141 ASP CA C 141 54.001 54.001 53.226 0.775 19425 16090 1 19 . 1 1 141 141 ASP CB C 141 40.914 40.914 42.426 -1.512 19425 16091 1 19 . 1 1 141 141 ASP H H 141 8.049 8.049 7.885 0.164 19425 16092 1 19 . 1 1 142 142 LYS N N 142 121.585 121.585 120.475 1.110 19425 16093 1 19 . 1 1 142 142 LYS C C 142 176.274 176.274 176.921 -0.647 19425 16094 1 19 . 1 1 142 142 LYS CA C 142 57.106 57.106 56.160 0.946 19425 16095 1 19 . 1 1 142 142 LYS CB C 142 31.369 31.369 33.221 -1.852 19425 16096 1 19 . 1 1 142 142 LYS H H 142 8.376 8.376 8.432 -0.056 19425 16097 1 19 . 1 1 143 143 LEU N N 143 119.604 119.604 120.879 -1.275 19425 16098 1 19 . 1 1 143 143 LEU C C 143 176.798 176.798 177.391 -0.593 19425 16099 1 19 . 1 1 143 143 LEU CA C 143 55.261 55.261 57.330 -2.069 19425 16100 1 19 . 1 1 143 143 LEU CB C 143 41.487 41.487 41.348 0.139 19425 16101 1 19 . 1 1 143 143 LEU H H 143 8.262 8.262 8.181 0.081 19425 16102 1 19 . 1 1 144 144 ALA N N 144 123.881 123.881 116.977 6.904 19425 16103 1 19 . 1 1 144 144 ALA C C 144 176.410 176.410 176.140 0.270 19425 16104 1 19 . 1 1 144 144 ALA CA C 144 51.335 51.335 50.283 1.052 19425 16105 1 19 . 1 1 144 144 ALA CB C 144 20.924 20.924 21.645 -0.721 19425 16106 1 19 . 1 1 144 144 ALA H H 144 7.614 7.614 7.390 0.224 19425 16107 1 19 . 1 1 145 145 PHE N N 145 120.083 120.083 117.975 2.108 19425 16108 1 19 . 1 1 145 145 PHE C C 145 176.948 176.948 175.316 1.632 19425 16109 1 19 . 1 1 145 145 PHE CA C 145 55.872 55.872 56.733 -0.860 19425 16110 1 19 . 1 1 145 145 PHE CB C 145 42.468 42.468 41.288 1.180 19425 16111 1 19 . 1 1 145 145 PHE H H 145 8.647 8.647 8.678 -0.031 19425 16112 1 19 . 1 1 146 146 ASP N N 146 119.893 119.893 120.208 -0.315 19425 16113 1 19 . 1 1 146 146 ASP C C 146 175.519 175.519 174.443 1.076 19425 16114 1 19 . 1 1 146 146 ASP CA C 146 54.679 54.679 54.695 -0.016 19425 16115 1 19 . 1 1 146 146 ASP CB C 146 42.169 42.169 42.951 -0.782 19425 16116 1 19 . 1 1 146 146 ASP H H 146 8.692 8.692 9.018 -0.326 19425 16117 1 19 . 1 1 147 147 VAL N N 147 118.800 118.800 121.695 -2.895 19425 16118 1 19 . 1 1 147 147 VAL C C 147 174.053 174.053 175.536 -1.483 19425 16119 1 19 . 1 1 147 147 VAL CA C 147 60.671 60.671 61.305 -0.634 19425 16120 1 19 . 1 1 147 147 VAL CB C 147 35.326 35.326 33.135 2.191 19425 16121 1 19 . 1 1 147 147 VAL H H 147 8.224 8.224 8.530 -0.306 19425 16122 1 19 . 1 1 148 148 GLY N N 148 113.226 113.226 114.627 -1.401 19425 16123 1 19 . 1 1 148 148 GLY C C 148 175.141 175.141 172.211 2.930 19425 16124 1 19 . 1 1 148 148 GLY CA C 148 45.384 45.384 43.782 1.602 19425 16125 1 19 . 1 1 148 148 GLY H H 148 8.594 8.594 8.827 -0.233 19425 16126 1 19 . 1 1 149 149 LEU N N 149 120.880 120.880 119.412 1.468 19425 16127 1 19 . 1 1 149 149 LEU C C 149 170.973 170.973 176.022 -5.049 19425 16128 1 19 . 1 1 149 149 LEU CA C 149 53.299 53.299 53.711 -0.412 19425 16129 1 19 . 1 1 149 149 LEU CB C 149 43.938 43.938 45.374 -1.436 19425 16130 1 19 . 1 1 149 149 LEU H H 149 8.303 8.303 8.091 0.212 19425 16131 1 19 . 1 1 150 150 GLN N N 150 118.978 118.978 120.401 -1.423 19425 16132 1 19 . 1 1 150 150 GLN C C 150 177.133 177.133 175.901 1.232 19425 16133 1 19 . 1 1 150 150 GLN CA C 150 54.723 54.723 54.850 -0.127 19425 16134 1 19 . 1 1 150 150 GLN CB C 150 32.690 32.690 32.398 0.292 19425 16135 1 19 . 1 1 150 150 GLN H H 150 9.115 9.115 8.758 0.357 19425 16136 1 19 . 1 1 151 151 GLU N N 151 121.344 121.344 124.435 -3.091 19425 16137 1 19 . 1 1 151 151 GLU C C 151 175.333 175.333 176.257 -0.924 19425 16138 1 19 . 1 1 151 151 GLU CA C 151 59.140 59.140 59.146 -0.006 19425 16139 1 19 . 1 1 151 151 GLU CB C 151 30.735 30.735 29.698 1.036 19425 16140 1 19 . 1 1 151 151 GLU H H 151 9.142 9.142 8.840 0.302 19425 16141 1 19 . 1 1 152 152 ASP N N 152 117.494 117.494 118.047 -0.553 19425 16142 1 19 . 1 1 152 152 ASP C C 152 176.391 176.391 176.103 0.288 19425 16143 1 19 . 1 1 152 152 ASP CA C 152 54.139 54.139 54.612 -0.473 19425 16144 1 19 . 1 1 152 152 ASP CB C 152 41.920 41.920 42.323 -0.403 19425 16145 1 19 . 1 1 152 152 ASP H H 152 8.023 8.023 8.292 -0.269 19425 16146 1 19 . 1 1 153 153 THR N N 153 111.969 111.969 108.865 3.104 19425 16147 1 19 . 1 1 153 153 THR C C 153 175.964 175.964 174.412 1.552 19425 16148 1 19 . 1 1 153 153 THR CA C 153 61.894 61.894 61.730 0.164 19425 16149 1 19 . 1 1 153 153 THR CB C 153 68.903 68.903 69.153 -0.250 19425 16150 1 19 . 1 1 153 153 THR H H 153 7.985 7.985 8.097 -0.112 19425 16151 1 19 . 1 1 154 154 THR N N 154 113.978 113.978 114.892 -0.914 19425 16152 1 19 . 1 1 154 154 THR C C 154 175.000 175.000 174.918 0.082 19425 16153 1 19 . 1 1 154 154 THR CA C 154 62.359 62.359 62.909 -0.550 19425 16154 1 19 . 1 1 154 154 THR CB C 154 69.210 69.210 68.547 0.663 19425 16155 1 19 . 1 1 154 154 THR H H 154 7.790 7.790 7.700 0.090 19425 16156 1 19 . 1 1 155 155 GLY N N 155 108.411 108.411 114.442 -6.031 19425 16157 1 19 . 1 1 155 155 GLY C C 155 174.702 174.702 172.466 2.236 19425 16158 1 19 . 1 1 155 155 GLY CA C 155 44.737 44.737 44.775 -0.038 19425 16159 1 19 . 1 1 155 155 GLY H H 155 7.639 7.639 8.001 -0.362 19425 16160 1 19 . 1 1 156 156 GLU N N 156 118.666 118.666 120.244 -1.578 19425 16161 1 19 . 1 1 156 156 GLU C C 156 173.571 173.571 177.853 -4.282 19425 16162 1 19 . 1 1 156 156 GLU CA C 156 59.352 59.352 57.138 2.214 19425 16163 1 19 . 1 1 156 156 GLU CB C 156 31.248 31.248 30.140 1.108 19425 16164 1 19 . 1 1 156 156 GLU H H 156 8.606 8.606 8.718 -0.112 19425 16165 1 19 . 1 1 157 157 ALA N N 157 118.664 118.664 123.534 -4.870 19425 16166 1 19 . 1 1 157 157 ALA C C 157 177.727 177.727 178.528 -0.801 19425 16167 1 19 . 1 1 157 157 ALA CA C 157 55.063 55.063 55.012 0.051 19425 16168 1 19 . 1 1 157 157 ALA CB C 157 18.856 18.856 18.058 0.798 19425 16169 1 19 . 1 1 157 157 ALA H H 157 8.159 8.159 8.591 -0.432 19425 16170 1 19 . 1 1 158 158 CYS N N 158 114.681 114.681 113.336 1.345 19425 16171 1 19 . 1 1 158 158 CYS C C 158 179.972 179.972 173.766 6.206 19425 16172 1 19 . 1 1 158 158 CYS CA C 158 57.585 57.585 56.496 1.089 19425 16173 1 19 . 1 1 158 158 CYS CB C 158 27.977 27.977 26.276 1.701 19425 16174 1 19 . 1 1 158 158 CYS H H 158 7.973 7.973 8.210 -0.237 19425 16175 1 19 . 1 1 165 165 ALA N N 165 122.416 122.416 127.843 -5.427 19425 16176 1 19 . 1 1 165 165 ALA C C 165 176.743 176.743 177.852 -1.109 19425 16177 1 19 . 1 1 165 165 ALA CA C 165 52.390 52.390 53.590 -1.200 19425 16178 1 19 . 1 1 165 165 ALA CB C 165 20.486 20.486 19.328 1.157 19425 16179 1 19 . 1 1 165 165 ALA H H 165 8.190 8.190 8.598 -0.408 19425 16180 1 19 . 1 1 166 166 SER N N 166 111.681 111.681 113.172 -1.491 19425 16181 1 19 . 1 1 166 166 SER C C 166 176.876 176.876 174.078 2.798 19425 16182 1 19 . 1 1 166 166 SER CA C 166 56.863 56.863 57.299 -0.436 19425 16183 1 19 . 1 1 166 166 SER CB C 166 65.738 65.738 64.603 1.135 19425 16184 1 19 . 1 1 166 166 SER H H 166 7.690 7.690 7.700 -0.010 19425 16185 1 19 . 1 1 167 167 LYS N N 167 121.655 121.655 119.878 1.777 19425 16186 1 19 . 1 1 167 167 LYS C C 167 175.241 175.241 177.381 -2.140 19425 16187 1 19 . 1 1 167 167 LYS CA C 167 55.297 55.297 57.110 -1.813 19425 16188 1 19 . 1 1 167 167 LYS CB C 167 31.364 31.364 32.493 -1.129 19425 16189 1 19 . 1 1 167 167 LYS H H 167 8.230 8.230 8.414 -0.184 19425 16190 1 19 . 1 1 168 168 GLN N N 168 117.832 117.832 117.702 0.130 19425 16191 1 19 . 1 1 168 168 GLN C C 168 176.836 176.836 176.003 0.833 19425 16192 1 19 . 1 1 168 168 GLN CA C 168 57.366 57.366 56.925 0.441 19425 16193 1 19 . 1 1 168 168 GLN CB C 168 28.979 28.979 28.702 0.277 19425 16194 1 19 . 1 1 168 168 GLN H H 168 8.134 8.134 8.050 0.084 19425 16195 1 19 . 1 1 169 169 ARG N N 169 117.052 117.052 119.609 -2.557 19425 16196 1 19 . 1 1 169 169 ARG C C 169 175.946 175.946 175.327 0.619 19425 16197 1 19 . 1 1 169 169 ARG CA C 169 52.885 52.885 54.897 -2.012 19425 16198 1 19 . 1 1 169 169 ARG CB C 169 32.795 32.795 30.700 2.095 19425 16199 1 19 . 1 1 169 169 ARG H H 169 7.209 7.209 7.904 -0.695 19425 16200 1 19 . 1 1 170 170 SER N N 170 114.335 114.335 114.690 -0.355 19425 16201 1 19 . 1 1 170 170 SER C C 170 174.387 174.387 173.798 0.589 19425 16202 1 19 . 1 1 170 170 SER CA C 170 56.976 56.976 56.819 0.157 19425 16203 1 19 . 1 1 170 170 SER CB C 170 66.348 66.348 66.776 -0.428 19425 16204 1 19 . 1 1 170 170 SER H H 170 8.279 8.279 8.390 -0.111 19425 16205 1 19 . 1 1 171 171 GLU N N 171 121.428 121.428 120.801 0.627 19425 16206 1 19 . 1 1 171 171 GLU C C 171 173.293 173.293 177.387 -4.094 19425 16207 1 19 . 1 1 171 171 GLU CA C 171 58.658 58.658 57.077 1.581 19425 16208 1 19 . 1 1 171 171 GLU CB C 171 28.693 28.693 28.839 -0.146 19425 16209 1 19 . 1 1 171 171 GLU H H 171 8.540 8.540 8.585 -0.045 19425 16210 1 19 . 1 1 172 172 GLY N N 172 113.162 113.162 114.715 -1.553 19425 16211 1 19 . 1 1 172 172 GLY C C 172 177.504 177.504 174.373 3.131 19425 16212 1 19 . 1 1 172 172 GLY CA C 172 45.452 45.452 44.934 0.518 19425 16213 1 19 . 1 1 172 172 GLY H H 172 8.676 8.676 9.048 -0.372 19425 16214 1 19 . 1 1 173 173 GLU N N 173 119.545 119.545 121.163 -1.618 19425 16215 1 19 . 1 1 173 173 GLU C C 173 173.311 173.311 176.087 -2.776 19425 16216 1 19 . 1 1 173 173 GLU CA C 173 55.689 55.689 56.201 -0.512 19425 16217 1 19 . 1 1 173 173 GLU CB C 173 31.204 31.204 30.936 0.268 19425 16218 1 19 . 1 1 173 173 GLU H H 173 7.805 7.805 7.803 0.002 19425 16219 1 19 . 1 1 174 174 LYS N N 174 120.834 120.834 121.334 -0.500 19425 16220 1 19 . 1 1 174 174 LYS C C 174 175.352 175.352 176.860 -1.508 19425 16221 1 19 . 1 1 174 174 LYS CA C 174 57.207 57.207 56.839 0.368 19425 16222 1 19 . 1 1 174 174 LYS CB C 174 34.185 34.185 32.802 1.383 19425 16223 1 19 . 1 1 174 174 LYS H H 174 8.215 8.215 8.443 -0.228 19425 16224 1 19 . 1 1 175 175 VAL N N 175 122.529 122.529 124.734 -2.205 19425 16225 1 19 . 1 1 175 175 VAL C C 175 176.595 176.595 175.512 1.083 19425 16226 1 19 . 1 1 175 175 VAL CA C 175 63.046 63.046 61.992 1.054 19425 16227 1 19 . 1 1 175 175 VAL CB C 175 31.265 31.265 32.102 -0.837 19425 16228 1 19 . 1 1 175 175 VAL H H 175 7.914 7.914 8.626 -0.712 19425 16229 1 19 . 1 1 176 176 ARG N N 176 127.622 127.622 127.175 0.447 19425 16230 1 19 . 1 1 176 176 ARG C C 176 175.742 175.742 176.944 -1.202 19425 16231 1 19 . 1 1 176 176 ARG CA C 176 55.767 55.767 53.421 2.346 19425 16232 1 19 . 1 1 176 176 ARG CB C 176 30.480 30.480 31.481 -1.001 19425 16233 1 19 . 1 1 176 176 ARG H H 176 7.570 7.570 8.368 -0.798 19425 16234 1 19 . 1 1 177 177 VAL N N 177 122.521 122.521 121.627 0.894 19425 16235 1 19 . 1 1 177 177 VAL C C 177 177.523 177.523 177.244 0.279 19425 16236 1 19 . 1 1 177 177 VAL CA C 177 65.322 65.322 64.463 0.859 19425 16237 1 19 . 1 1 177 177 VAL CB C 177 31.431 31.431 31.311 0.120 19425 16238 1 19 . 1 1 177 177 VAL H H 177 8.276 8.276 7.999 0.277 19425 16239 1 19 . 1 1 179 179 ASP N N 179 122.577 122.577 123.467 -0.890 19425 16240 1 19 . 1 1 179 179 ASP C C 179 174.554 174.554 175.952 -1.398 19425 16241 1 19 . 1 1 179 179 ASP CA C 179 54.687 54.687 55.159 -0.472 19425 16242 1 19 . 1 1 179 179 ASP CB C 179 40.417 40.417 41.395 -0.978 19425 16243 1 19 . 1 1 179 179 ASP H H 179 7.848 7.848 7.887 -0.039 19425 16244 1 19 . 1 1 180 180 ASP N N 180 121.916 121.916 124.101 -2.185 19425 16245 1 19 . 1 1 180 180 ASP C C 180 174.610 174.610 176.047 -1.437 19425 16246 1 19 . 1 1 180 180 ASP CA C 180 54.379 54.379 55.249 -0.870 19425 16247 1 19 . 1 1 180 180 ASP CB C 180 42.178 42.178 40.802 1.376 19425 16248 1 19 . 1 1 180 180 ASP H H 180 8.521 8.521 8.521 -0.000 19425 16249 1 19 . 1 1 181 181 LEU N N 181 121.499 121.499 123.424 -1.925 19425 16250 1 19 . 1 1 181 181 LEU C C 181 175.166 175.166 176.744 -1.578 19425 16251 1 19 . 1 1 181 181 LEU CA C 181 54.379 54.379 53.806 0.573 19425 16252 1 19 . 1 1 181 181 LEU CB C 181 45.395 45.395 44.323 1.072 19425 16253 1 19 . 1 1 181 181 LEU H H 181 9.782 9.782 9.067 0.715 19425 16254 1 19 . 1 1 185 185 SER N N 185 122.939 122.939 123.191 -0.252 19425 16255 1 19 . 1 1 185 185 SER C C 185 175.871 175.871 175.329 0.542 19425 16256 1 19 . 1 1 185 185 SER CA C 185 57.514 57.514 59.720 -2.206 19425 16257 1 19 . 1 1 185 185 SER CB C 185 62.772 62.772 63.176 -0.404 19425 16258 1 19 . 1 1 185 185 SER H H 185 9.183 9.183 8.893 0.290 19425 16259 1 19 . 1 1 186 186 VAL N N 186 131.799 131.799 126.832 4.967 19425 16260 1 19 . 1 1 186 186 VAL C C 186 177.226 177.226 177.081 0.145 19425 16261 1 19 . 1 1 186 186 VAL CA C 186 65.883 65.883 65.919 -0.036 19425 16262 1 19 . 1 1 186 186 VAL CB C 186 31.190 31.190 31.795 -0.605 19425 16263 1 19 . 1 1 186 186 VAL H H 186 8.285 8.285 8.262 0.023 19425 16264 1 19 . 1 1 187 187 SER N N 187 110.228 110.228 115.148 -4.920 19425 16265 1 19 . 1 1 187 187 SER C C 187 177.077 177.077 175.243 1.834 19425 16266 1 19 . 1 1 187 187 SER CA C 187 60.200 60.200 60.811 -0.611 19425 16267 1 19 . 1 1 187 187 SER CB C 187 62.264 62.264 63.116 -0.852 19425 16268 1 19 . 1 1 187 187 SER H H 187 7.000 7.000 8.130 -1.130 19425 16269 1 19 . 1 1 188 188 SER N N 188 115.022 115.022 113.558 1.464 19425 16270 1 19 . 1 1 188 188 SER C C 188 176.632 176.632 173.677 2.955 19425 16271 1 19 . 1 1 188 188 SER CA C 188 58.889 58.889 57.912 0.977 19425 16272 1 19 . 1 1 188 188 SER CB C 188 66.818 66.818 64.163 2.655 19425 16273 1 19 . 1 1 188 188 SER H H 188 7.886 7.886 7.482 0.404 19425 16274 1 19 . 1 1 189 189 GLU N N 189 118.477 118.477 118.490 -0.013 19425 16275 1 19 . 1 1 189 189 GLU C C 189 175.000 175.000 174.749 0.251 19425 16276 1 19 . 1 1 189 189 GLU CA C 189 58.562 58.562 57.940 0.622 19425 16277 1 19 . 1 1 189 189 GLU CB C 189 27.420 27.420 27.507 -0.087 19425 16278 1 19 . 1 1 189 189 GLU H H 189 7.929 7.929 8.354 -0.425 19425 16279 1 19 . 1 1 190 190 ARG N N 190 116.828 116.828 117.499 -0.671 19425 16280 1 19 . 1 1 190 190 ARG C C 190 173.868 173.868 176.116 -2.248 19425 16281 1 19 . 1 1 190 190 ARG CA C 190 54.238 54.238 54.560 -0.322 19425 16282 1 19 . 1 1 190 190 ARG CB C 190 32.141 32.141 32.634 -0.493 19425 16283 1 19 . 1 1 190 190 ARG H H 190 6.723 6.723 7.201 -0.478 19425 16284 1 19 . 1 1 191 191 TYR N N 191 118.733 118.733 121.515 -2.782 19425 16285 1 19 . 1 1 191 191 TYR C C 191 174.368 174.368 177.347 -2.979 19425 16286 1 19 . 1 1 191 191 TYR CA C 191 57.405 57.405 58.771 -1.366 19425 16287 1 19 . 1 1 191 191 TYR CB C 191 39.444 39.444 39.438 0.007 19425 16288 1 19 . 1 1 191 191 TYR H H 191 8.912 8.912 8.981 -0.069 19425 16289 1 19 . 1 1 192 192 LEU N N 192 123.460 123.460 124.461 -1.001 19425 16290 1 19 . 1 1 192 192 LEU C C 192 176.753 176.753 176.066 0.687 19425 16291 1 19 . 1 1 192 192 LEU CA C 192 57.061 57.061 54.209 2.852 19425 16292 1 19 . 1 1 192 192 LEU CB C 192 41.351 41.351 40.573 0.778 19425 16293 1 19 . 1 1 192 192 LEU H H 192 8.836 8.836 8.916 -0.080 19425 16294 1 19 . 1 1 193 193 HIS N N 193 134.195 134.195 125.272 8.923 19425 16295 1 19 . 1 1 193 193 HIS C C 193 178.766 178.766 174.387 4.379 19425 16296 1 19 . 1 1 193 193 HIS CA C 193 56.349 56.349 56.016 0.333 19425 16297 1 19 . 1 1 193 193 HIS CB C 193 31.613 31.613 31.824 -0.211 19425 16298 1 19 . 1 1 193 193 HIS H H 193 10.227 10.227 8.894 1.333 19425 16299 1 19 . 1 1 194 194 LEU N N 194 128.500 128.500 127.597 0.903 19425 16300 1 19 . 1 1 194 194 LEU C C 194 170.268 170.268 175.099 -4.831 19425 16301 1 19 . 1 1 194 194 LEU CA C 194 54.139 54.139 53.939 0.200 19425 16302 1 19 . 1 1 194 194 LEU CB C 194 44.036 44.036 43.008 1.028 19425 16303 1 19 . 1 1 194 194 LEU H H 194 7.784 7.784 7.678 0.106 19425 16304 1 19 . 1 1 195 195 SER N N 195 122.195 122.195 122.006 0.189 19425 16305 1 19 . 1 1 195 195 SER C C 195 174.740 174.740 173.308 1.432 19425 16306 1 19 . 1 1 195 195 SER CA C 195 56.814 56.814 56.542 0.272 19425 16307 1 19 . 1 1 195 195 SER CB C 195 66.260 66.260 65.961 0.299 19425 16308 1 19 . 1 1 195 195 SER H H 195 9.042 9.042 8.918 0.124 19425 16309 1 19 . 1 1 196 196 TYR N N 196 124.809 124.809 128.232 -3.423 19425 16310 1 19 . 1 1 196 196 TYR C C 196 172.439 172.439 175.538 -3.099 19425 16311 1 19 . 1 1 196 196 TYR CA C 196 57.019 57.019 56.343 0.676 19425 16312 1 19 . 1 1 196 196 TYR CB C 196 39.817 39.817 38.476 1.341 19425 16313 1 19 . 1 1 196 196 TYR H H 196 8.657 8.657 8.837 -0.180 19425 16314 1 19 . 1 1 197 197 GLY N N 197 114.111 114.111 115.100 -0.989 19425 16315 1 19 . 1 1 197 197 GLY C C 197 176.113 176.113 174.213 1.900 19425 16316 1 19 . 1 1 197 197 GLY CA C 197 45.492 45.492 44.129 1.363 19425 16317 1 19 . 1 1 197 197 GLY H H 197 8.030 8.030 8.194 -0.164 19425 16318 1 19 . 1 1 200 200 SER N N 200 113.158 113.158 115.453 -2.295 19425 16319 1 19 . 1 1 200 200 SER C C 200 172.661 172.661 172.202 0.459 19425 16320 1 19 . 1 1 200 200 SER CA C 200 56.890 56.890 56.831 0.059 19425 16321 1 19 . 1 1 200 200 SER CB C 200 65.522 65.522 65.300 0.222 19425 16322 1 19 . 1 1 200 200 SER H H 200 6.893 6.893 7.273 -0.380 19425 16323 1 19 . 1 1 201 201 TRP N N 201 122.521 122.521 119.911 2.610 19425 16324 1 19 . 1 1 201 201 TRP C C 201 171.813 171.813 176.014 -4.201 19425 16325 1 19 . 1 1 201 201 TRP CA C 201 56.990 56.990 56.117 0.873 19425 16326 1 19 . 1 1 201 201 TRP CB C 201 31.501 31.501 32.179 -0.678 19425 16327 1 19 . 1 1 201 201 TRP H H 201 8.243 8.243 8.131 0.112 19425 16328 1 19 . 1 1 202 202 HIS N N 202 121.171 121.171 118.510 2.661 19425 16329 1 19 . 1 1 202 202 HIS C C 202 173.805 173.805 173.635 0.170 19425 16330 1 19 . 1 1 202 202 HIS CA C 202 55.169 55.169 54.622 0.547 19425 16331 1 19 . 1 1 202 202 HIS CB C 202 32.254 32.254 34.572 -2.318 19425 16332 1 19 . 1 1 202 202 HIS H H 202 9.383 9.383 9.413 -0.030 19425 16333 1 19 . 1 1 203 203 VAL N N 203 119.943 119.943 120.963 -1.020 19425 16334 1 19 . 1 1 203 203 VAL C C 203 172.439 172.439 174.148 -1.709 19425 16335 1 19 . 1 1 203 203 VAL CA C 203 58.683 58.683 59.811 -1.128 19425 16336 1 19 . 1 1 203 203 VAL CB C 203 33.957 33.957 34.080 -0.123 19425 16337 1 19 . 1 1 203 203 VAL H H 203 8.649 8.649 8.872 -0.223 19425 16338 1 19 . 1 1 204 204 ASP N N 204 127.907 127.907 127.129 0.778 19425 16339 1 19 . 1 1 204 204 ASP C C 204 173.162 173.162 173.681 -0.519 19425 16340 1 19 . 1 1 204 204 ASP CA C 204 53.545 53.545 52.303 1.242 19425 16341 1 19 . 1 1 204 204 ASP CB C 204 42.169 42.169 44.226 -2.057 19425 16342 1 19 . 1 1 204 204 ASP H H 204 9.822 9.822 8.973 0.849 19425 16343 1 19 . 1 1 205 205 ALA N N 205 121.047 121.047 120.814 0.233 19425 16344 1 19 . 1 1 205 205 ALA C C 205 172.754 172.754 176.238 -3.484 19425 16345 1 19 . 1 1 205 205 ALA CA C 205 50.147 50.147 50.678 -0.531 19425 16346 1 19 . 1 1 205 205 ALA CB C 205 19.642 19.642 19.388 0.254 19425 16347 1 19 . 1 1 205 205 ALA H H 205 9.176 9.176 8.386 0.790 19425 16348 1 19 . 1 1 206 206 ALA N N 206 127.318 127.318 126.318 1.000 19425 16349 1 19 . 1 1 206 206 ALA C C 206 176.465 176.465 175.892 0.573 19425 16350 1 19 . 1 1 206 206 ALA CA C 206 50.609 50.609 50.196 0.413 19425 16351 1 19 . 1 1 206 206 ALA CB C 206 23.819 23.819 21.753 2.066 19425 16352 1 19 . 1 1 206 206 ALA H H 206 9.088 9.088 8.013 1.075 19425 16353 1 19 . 1 1 207 207 PHE N N 207 117.878 117.878 116.639 1.239 19425 16354 1 19 . 1 1 207 207 PHE C C 207 176.576 176.576 175.793 0.783 19425 16355 1 19 . 1 1 207 207 PHE CA C 207 59.714 59.714 58.828 0.886 19425 16356 1 19 . 1 1 207 207 PHE CB C 207 38.239 38.239 38.703 -0.464 19425 16357 1 19 . 1 1 207 207 PHE H H 207 8.953 8.953 8.437 0.516 19425 16358 1 19 . 1 1 208 208 GLN N N 208 117.531 117.531 117.208 0.323 19425 16359 1 19 . 1 1 208 208 GLN C C 208 175.166 175.166 175.377 -0.211 19425 16360 1 19 . 1 1 208 208 GLN CA C 208 55.096 55.096 54.085 1.011 19425 16361 1 19 . 1 1 208 208 GLN CB C 208 30.437 30.437 30.717 -0.280 19425 16362 1 19 . 1 1 208 208 GLN H H 208 6.613 6.613 7.732 -1.119 19425 16363 1 19 . 1 1 209 209 GLN N N 209 117.318 117.318 122.287 -4.969 19425 16364 1 19 . 1 1 209 209 GLN C C 209 173.162 173.162 175.591 -2.429 19425 16365 1 19 . 1 1 209 209 GLN CA C 209 56.217 56.217 56.767 -0.550 19425 16366 1 19 . 1 1 209 209 GLN CB C 209 29.912 29.912 29.446 0.466 19425 16367 1 19 . 1 1 209 209 GLN H H 209 8.108 8.108 8.342 -0.234 19425 16368 1 19 . 1 1 210 210 THR N N 210 116.616 116.616 114.073 2.543 19425 16369 1 19 . 1 1 210 210 THR C C 210 176.150 176.150 172.776 3.374 19425 16370 1 19 . 1 1 210 210 THR CA C 210 62.848 62.848 61.869 0.979 19425 16371 1 19 . 1 1 210 210 THR CB C 210 73.244 73.244 70.517 2.727 19425 16372 1 19 . 1 1 210 210 THR H H 210 6.641 6.641 8.261 -1.620 19425 16373 1 19 . 1 1 211 211 LEU N N 211 126.776 126.776 126.780 -0.004 19425 16374 1 19 . 1 1 211 211 LEU C C 211 171.418 171.418 175.561 -4.143 19425 16375 1 19 . 1 1 211 211 LEU CA C 211 55.012 55.012 54.796 0.216 19425 16376 1 19 . 1 1 211 211 LEU CB C 211 41.627 41.627 42.268 -0.641 19425 16377 1 19 . 1 1 211 211 LEU H H 211 8.418 8.418 8.458 -0.040 19425 16378 1 19 . 1 1 212 212 TRP N N 212 124.678 124.678 125.058 -0.380 19425 16379 1 19 . 1 1 212 212 TRP C C 212 175.742 175.742 176.035 -0.293 19425 16380 1 19 . 1 1 212 212 TRP CA C 212 56.052 56.052 55.458 0.594 19425 16381 1 19 . 1 1 212 212 TRP CB C 212 31.169 31.169 32.868 -1.699 19425 16382 1 19 . 1 1 212 212 TRP H H 212 9.462 9.462 9.195 0.267 19425 16383 1 19 . 1 1 213 213 SER N N 213 118.197 118.197 118.858 -0.661 19425 16384 1 19 . 1 1 213 213 SER C C 213 175.575 175.575 173.767 1.808 19425 16385 1 19 . 1 1 213 213 SER CA C 213 57.141 57.141 57.392 -0.251 19425 16386 1 19 . 1 1 213 213 SER CB C 213 64.800 64.800 63.626 1.174 19425 16387 1 19 . 1 1 213 213 SER H H 213 9.642 9.642 9.324 0.318 19425 16388 1 19 . 1 1 214 214 VAL N N 214 125.581 125.581 128.175 -2.594 19425 16389 1 19 . 1 1 214 214 VAL C C 214 174.183 174.183 174.878 -0.695 19425 16390 1 19 . 1 1 214 214 VAL CA C 214 61.398 61.398 61.519 -0.121 19425 16391 1 19 . 1 1 214 214 VAL CB C 214 32.502 32.502 30.644 1.858 19425 16392 1 19 . 1 1 214 214 VAL H H 214 8.433 8.433 8.593 -0.160 19425 16393 1 19 . 1 1 215 215 ALA N N 215 130.074 130.074 131.905 -1.831 19425 16394 1 19 . 1 1 215 215 ALA C C 215 174.647 174.647 174.315 0.332 19425 16395 1 19 . 1 1 215 215 ALA CA C 215 49.058 49.058 48.660 0.398 19425 16396 1 19 . 1 1 215 215 ALA CB C 215 20.299 20.299 20.624 -0.325 19425 16397 1 19 . 1 1 215 215 ALA H H 215 8.572 8.572 8.379 0.193 19425 16398 1 20 . 1 1 13 13 PHE N N 13 122.001 122.001 121.448 0.553 19425 16399 1 20 . 1 1 13 13 PHE C C 13 174.608 174.608 175.912 -1.304 19425 16400 1 20 . 1 1 13 13 PHE CA C 13 56.445 56.445 55.564 0.881 19425 16401 1 20 . 1 1 13 13 PHE CB C 13 41.650 41.650 42.153 -0.503 19425 16402 1 20 . 1 1 13 13 PHE H H 13 8.209 8.209 8.142 0.067 19425 16403 1 20 . 1 1 14 14 LEU N N 14 122.475 122.475 123.405 -0.930 19425 16404 1 20 . 1 1 14 14 LEU C C 14 175.630 175.630 176.010 -0.380 19425 16405 1 20 . 1 1 14 14 LEU CA C 14 55.024 55.024 54.841 0.183 19425 16406 1 20 . 1 1 14 14 LEU CB C 14 43.987 43.987 42.056 1.931 19425 16407 1 20 . 1 1 14 14 LEU H H 14 8.264 8.264 8.965 -0.701 19425 16408 1 20 . 1 1 15 15 ARG N N 15 121.510 121.510 122.724 -1.214 19425 16409 1 20 . 1 1 15 15 ARG C C 15 175.630 175.630 177.218 -1.588 19425 16410 1 20 . 1 1 15 15 ARG CA C 15 54.007 54.007 52.976 1.031 19425 16411 1 20 . 1 1 15 15 ARG CB C 15 34.536 34.536 32.828 1.708 19425 16412 1 20 . 1 1 15 15 ARG H H 15 8.653 8.653 8.186 0.467 19425 16413 1 20 . 1 1 16 16 THR N N 16 110.840 110.840 113.034 -2.194 19425 16414 1 20 . 1 1 16 16 THR C C 16 175.946 175.946 175.066 0.880 19425 16415 1 20 . 1 1 16 16 THR CA C 16 62.950 62.950 62.720 0.230 19425 16416 1 20 . 1 1 16 16 THR CB C 16 69.276 69.276 69.439 -0.163 19425 16417 1 20 . 1 1 16 16 THR H H 16 8.815 8.815 8.535 0.280 19425 16418 1 20 . 1 1 17 17 ASP N N 17 114.036 114.036 117.375 -3.339 19425 16419 1 20 . 1 1 17 17 ASP C C 17 175.686 175.686 175.176 0.510 19425 16420 1 20 . 1 1 17 17 ASP CA C 17 57.735 57.735 57.053 0.682 19425 16421 1 20 . 1 1 17 17 ASP CB C 17 39.928 39.928 40.388 -0.459 19425 16422 1 20 . 1 1 17 17 ASP H H 17 9.241 9.241 8.768 0.473 19425 16423 1 20 . 1 1 18 18 ASP N N 18 122.062 122.062 120.824 1.238 19425 16424 1 20 . 1 1 18 18 ASP C C 18 175.946 175.946 175.892 0.054 19425 16425 1 20 . 1 1 18 18 ASP CA C 18 56.214 56.214 54.729 1.485 19425 16426 1 20 . 1 1 18 18 ASP CB C 18 40.985 40.985 41.515 -0.530 19425 16427 1 20 . 1 1 18 18 ASP H H 18 8.035 8.035 7.581 0.454 19425 16428 1 20 . 1 1 19 19 GLU N N 19 122.006 122.006 124.288 -2.282 19425 16429 1 20 . 1 1 19 19 GLU C C 19 175.055 175.055 176.074 -1.019 19425 16430 1 20 . 1 1 19 19 GLU CA C 19 55.262 55.262 56.509 -1.247 19425 16431 1 20 . 1 1 19 19 GLU CB C 19 30.712 30.712 30.398 0.314 19425 16432 1 20 . 1 1 19 19 GLU H H 19 8.274 8.274 8.628 -0.354 19425 16433 1 20 . 1 1 20 20 VAL N N 20 118.214 118.214 121.387 -3.173 19425 16434 1 20 . 1 1 20 20 VAL C C 20 176.855 176.855 173.713 3.142 19425 16435 1 20 . 1 1 20 20 VAL CA C 20 59.054 59.054 58.922 0.132 19425 16436 1 20 . 1 1 20 20 VAL CB C 20 36.780 36.780 36.182 0.598 19425 16437 1 20 . 1 1 20 20 VAL H H 20 9.779 9.779 9.218 0.561 19425 16438 1 20 . 1 1 21 21 VAL N N 21 115.443 115.443 113.834 1.609 19425 16439 1 20 . 1 1 21 21 VAL C C 21 173.830 173.830 174.252 -0.422 19425 16440 1 20 . 1 1 21 21 VAL CA C 21 60.308 60.308 59.334 0.974 19425 16441 1 20 . 1 1 21 21 VAL CB C 21 34.625 34.625 34.872 -0.247 19425 16442 1 20 . 1 1 21 21 VAL H H 21 8.167 8.167 8.377 -0.210 19425 16443 1 20 . 1 1 22 22 LEU N N 22 128.072 128.072 127.231 0.841 19425 16444 1 20 . 1 1 22 22 LEU C C 22 174.858 174.858 175.976 -1.118 19425 16445 1 20 . 1 1 22 22 LEU CA C 22 55.656 55.656 54.280 1.376 19425 16446 1 20 . 1 1 22 22 LEU CB C 22 42.545 42.545 42.441 0.104 19425 16447 1 20 . 1 1 22 22 LEU H H 22 10.103 10.103 8.932 1.171 19425 16448 1 20 . 1 1 23 23 GLN N N 23 120.609 120.609 122.950 -2.341 19425 16449 1 20 . 1 1 23 23 GLN C C 23 175.500 175.500 175.231 0.269 19425 16450 1 20 . 1 1 23 23 GLN CA C 23 53.710 53.710 54.195 -0.485 19425 16451 1 20 . 1 1 23 23 GLN CB C 23 33.697 33.697 33.184 0.513 19425 16452 1 20 . 1 1 23 23 GLN H H 23 9.119 9.119 8.735 0.384 19425 16453 1 20 . 1 1 24 24 CYS N N 24 118.659 118.659 120.008 -1.349 19425 16454 1 20 . 1 1 24 24 CYS C C 24 174.443 174.443 173.941 0.502 19425 16455 1 20 . 1 1 24 24 CYS CA C 24 55.261 55.261 55.859 -0.598 19425 16456 1 20 . 1 1 24 24 CYS CB C 24 30.302 30.302 30.969 -0.667 19425 16457 1 20 . 1 1 24 24 CYS H H 24 8.993 8.993 9.134 -0.141 19425 16458 1 20 . 1 1 25 25 THR N N 25 116.266 116.266 120.027 -3.761 19425 16459 1 20 . 1 1 25 25 THR C C 25 172.457 172.457 173.664 -1.207 19425 16460 1 20 . 1 1 25 25 THR CA C 25 61.858 61.858 63.091 -1.233 19425 16461 1 20 . 1 1 25 25 THR CB C 25 70.271 70.271 68.825 1.446 19425 16462 1 20 . 1 1 25 25 THR H H 25 8.480 8.480 8.620 -0.140 19425 16463 1 20 . 1 1 26 26 ALA N N 26 129.739 129.739 130.934 -1.195 19425 16464 1 20 . 1 1 26 26 ALA C C 26 172.717 172.717 175.080 -2.363 19425 16465 1 20 . 1 1 26 26 ALA CA C 26 50.642 50.642 50.006 0.636 19425 16466 1 20 . 1 1 26 26 ALA CB C 26 21.315 21.315 19.686 1.629 19425 16467 1 20 . 1 1 26 26 ALA H H 26 8.590 8.590 8.611 -0.021 19425 16468 1 20 . 1 1 27 27 THR N N 27 116.574 116.574 118.780 -2.206 19425 16469 1 20 . 1 1 27 27 THR C C 27 173.181 173.181 173.796 -0.615 19425 16470 1 20 . 1 1 27 27 THR CA C 27 61.919 61.919 61.186 0.733 19425 16471 1 20 . 1 1 27 27 THR CB C 27 69.696 69.696 70.844 -1.148 19425 16472 1 20 . 1 1 27 27 THR H H 27 8.110 8.110 8.249 -0.139 19425 16473 1 20 . 1 1 28 28 ILE N N 28 126.342 126.342 124.799 1.543 19425 16474 1 20 . 1 1 28 28 ILE C C 28 173.793 173.793 174.479 -0.686 19425 16475 1 20 . 1 1 28 28 ILE CA C 28 60.407 60.407 61.433 -1.026 19425 16476 1 20 . 1 1 28 28 ILE CB C 28 39.536 39.536 40.427 -0.891 19425 16477 1 20 . 1 1 28 28 ILE H H 28 8.483 8.483 8.903 -0.420 19425 16478 1 20 . 1 1 29 29 HIS N N 29 126.364 126.364 125.979 0.385 19425 16479 1 20 . 1 1 29 29 HIS C C 29 175.259 175.259 174.269 0.990 19425 16480 1 20 . 1 1 29 29 HIS CA C 29 57.174 57.174 57.185 -0.011 19425 16481 1 20 . 1 1 29 29 HIS CB C 29 28.029 28.029 28.303 -0.274 19425 16482 1 20 . 1 1 29 29 HIS H H 29 9.110 9.110 8.386 0.724 19425 16483 1 20 . 1 1 31 31 GLU N N 31 120.962 120.962 119.708 1.254 19425 16484 1 20 . 1 1 31 31 GLU C C 31 175.575 175.575 174.248 1.327 19425 16485 1 20 . 1 1 31 31 GLU CA C 31 55.394 55.394 55.504 -0.110 19425 16486 1 20 . 1 1 31 31 GLU CB C 31 31.576 31.576 32.728 -1.152 19425 16487 1 20 . 1 1 31 31 GLU H H 31 8.047 8.047 7.761 0.286 19425 16488 1 20 . 1 1 32 32 GLN N N 32 123.171 123.171 125.149 -1.978 19425 16489 1 20 . 1 1 32 32 GLN C C 32 175.185 175.185 174.587 0.598 19425 16490 1 20 . 1 1 32 32 GLN CA C 32 54.496 54.496 54.618 -0.122 19425 16491 1 20 . 1 1 32 32 GLN CB C 32 30.054 30.054 31.741 -1.687 19425 16492 1 20 . 1 1 32 32 GLN H H 32 8.646 8.646 8.719 -0.073 19425 16493 1 20 . 1 1 33 33 GLN N N 33 123.530 123.530 120.541 2.989 19425 16494 1 20 . 1 1 33 33 GLN C C 33 175.667 175.667 173.518 2.149 19425 16495 1 20 . 1 1 33 33 GLN CA C 33 54.616 54.616 54.847 -0.231 19425 16496 1 20 . 1 1 33 33 GLN CB C 33 31.748 31.748 32.276 -0.528 19425 16497 1 20 . 1 1 33 33 GLN H H 33 8.839 8.839 8.794 0.045 19425 16498 1 20 . 1 1 34 34 LYS N N 34 124.601 124.601 120.583 4.018 19425 16499 1 20 . 1 1 34 34 LYS C C 34 173.812 173.812 174.907 -1.095 19425 16500 1 20 . 1 1 34 34 LYS CA C 34 55.755 55.755 55.148 0.608 19425 16501 1 20 . 1 1 34 34 LYS CB C 34 32.712 32.712 35.647 -2.935 19425 16502 1 20 . 1 1 34 34 LYS H H 34 8.589 8.589 8.517 0.072 19425 16503 1 20 . 1 1 35 35 LEU N N 35 126.071 126.071 121.908 4.163 19425 16504 1 20 . 1 1 35 35 LEU C C 35 175.445 175.445 175.785 -0.340 19425 16505 1 20 . 1 1 35 35 LEU CA C 35 53.347 53.347 52.790 0.557 19425 16506 1 20 . 1 1 35 35 LEU CB C 35 44.943 44.943 46.181 -1.238 19425 16507 1 20 . 1 1 35 35 LEU H H 35 8.794 8.794 8.362 0.432 19425 16508 1 20 . 1 1 36 36 CYS N N 36 118.373 118.373 118.780 -0.407 19425 16509 1 20 . 1 1 36 36 CYS C C 36 176.057 176.057 175.400 0.657 19425 16510 1 20 . 1 1 36 36 CYS CA C 36 57.174 57.174 55.358 1.816 19425 16511 1 20 . 1 1 36 36 CYS CB C 36 30.306 30.306 28.815 1.491 19425 16512 1 20 . 1 1 36 36 CYS H H 36 9.042 9.042 8.845 0.197 19425 16513 1 20 . 1 1 37 37 LEU N N 37 129.256 129.256 126.099 3.157 19425 16514 1 20 . 1 1 37 37 LEU C C 37 174.090 174.090 175.305 -1.215 19425 16515 1 20 . 1 1 37 37 LEU CA C 37 56.349 56.349 55.603 0.746 19425 16516 1 20 . 1 1 37 37 LEU CB C 37 42.689 42.689 41.955 0.734 19425 16517 1 20 . 1 1 37 37 LEU H H 37 8.811 8.811 8.841 -0.030 19425 16518 1 20 . 1 1 38 38 ALA N N 38 127.229 127.229 128.415 -1.186 19425 16519 1 20 . 1 1 38 38 ALA C C 38 174.517 174.517 175.156 -0.639 19425 16520 1 20 . 1 1 38 38 ALA CA C 38 50.609 50.609 49.458 1.151 19425 16521 1 20 . 1 1 38 38 ALA CB C 38 24.141 24.141 22.232 1.909 19425 16522 1 20 . 1 1 38 38 ALA H H 38 8.879 8.879 8.616 0.263 19425 16523 1 20 . 1 1 39 39 ALA N N 39 117.076 117.076 119.973 -2.897 19425 16524 1 20 . 1 1 39 39 ALA C C 39 174.665 174.665 174.738 -0.073 19425 16525 1 20 . 1 1 39 39 ALA CA C 39 51.500 51.500 51.668 -0.168 19425 16526 1 20 . 1 1 39 39 ALA CB C 39 20.996 20.996 21.407 -0.411 19425 16527 1 20 . 1 1 39 39 ALA H H 39 6.837 6.837 7.691 -0.854 19425 16528 1 20 . 1 1 40 40 GLU N N 40 119.966 119.966 118.687 1.279 19425 16529 1 20 . 1 1 40 40 GLU C C 40 176.205 176.205 175.854 0.351 19425 16530 1 20 . 1 1 40 40 GLU CA C 40 55.950 55.950 54.897 1.053 19425 16531 1 20 . 1 1 40 40 GLU CB C 40 31.836 31.836 32.327 -0.491 19425 16532 1 20 . 1 1 40 40 GLU H H 40 8.413 8.413 8.504 -0.091 19425 16533 1 20 . 1 1 41 41 GLY N N 41 108.646 108.646 108.432 0.214 19425 16534 1 20 . 1 1 41 41 GLY C C 41 176.892 176.892 173.429 3.463 19425 16535 1 20 . 1 1 41 41 GLY CA C 41 45.628 45.628 45.535 0.093 19425 16536 1 20 . 1 1 41 41 GLY H H 41 8.463 8.463 8.581 -0.118 19425 16537 1 20 . 1 1 43 43 GLY N N 43 109.557 109.557 112.638 -3.081 19425 16538 1 20 . 1 1 43 43 GLY C C 43 176.465 176.465 174.440 2.025 19425 16539 1 20 . 1 1 43 43 GLY CA C 43 45.397 45.397 45.395 0.002 19425 16540 1 20 . 1 1 43 43 GLY H H 43 8.510 8.510 7.755 0.755 19425 16541 1 20 . 1 1 44 44 ASN N N 44 116.850 116.850 122.310 -5.460 19425 16542 1 20 . 1 1 44 44 ASN C C 44 173.830 173.830 175.324 -1.494 19425 16543 1 20 . 1 1 44 44 ASN CA C 44 54.184 54.184 52.611 1.573 19425 16544 1 20 . 1 1 44 44 ASN CB C 44 38.252 38.252 38.187 0.065 19425 16545 1 20 . 1 1 44 44 ASN H H 44 8.028 8.028 8.708 -0.680 19425 16546 1 20 . 1 1 45 45 ARG N N 45 118.226 118.226 115.853 2.373 19425 16547 1 20 . 1 1 45 45 ARG C C 45 174.072 174.072 174.281 -0.209 19425 16548 1 20 . 1 1 45 45 ARG CA C 45 56.077 56.077 57.154 -1.077 19425 16549 1 20 . 1 1 45 45 ARG CB C 45 31.231 31.231 27.359 3.872 19425 16550 1 20 . 1 1 45 45 ARG H H 45 7.759 7.759 7.510 0.249 19425 16551 1 20 . 1 1 46 46 LEU N N 46 124.643 124.643 119.107 5.536 19425 16552 1 20 . 1 1 46 46 LEU C C 46 176.447 176.447 177.059 -0.612 19425 16553 1 20 . 1 1 46 46 LEU CA C 46 54.667 54.667 54.040 0.627 19425 16554 1 20 . 1 1 46 46 LEU CB C 46 42.605 42.605 43.004 -0.399 19425 16555 1 20 . 1 1 46 46 LEU H H 46 8.695 8.695 7.703 0.992 19425 16556 1 20 . 1 1 47 47 CYS N N 47 119.241 119.241 121.288 -2.047 19425 16557 1 20 . 1 1 47 47 CYS C C 47 176.651 176.651 174.984 1.667 19425 16558 1 20 . 1 1 47 47 CYS CA C 47 55.885 55.885 59.369 -3.484 19425 16559 1 20 . 1 1 47 47 CYS CB C 47 31.112 31.112 26.753 4.359 19425 16560 1 20 . 1 1 47 47 CYS H H 47 9.007 9.007 8.557 0.450 19425 16561 1 20 . 1 1 48 48 PHE N N 48 114.081 114.081 118.528 -4.447 19425 16562 1 20 . 1 1 48 48 PHE C C 48 170.342 170.342 173.086 -2.744 19425 16563 1 20 . 1 1 48 48 PHE CA C 48 57.405 57.405 55.826 1.579 19425 16564 1 20 . 1 1 48 48 PHE CB C 48 43.263 43.263 40.320 2.943 19425 16565 1 20 . 1 1 48 48 PHE H H 48 8.647 8.647 8.507 0.140 19425 16566 1 20 . 1 1 49 49 LEU N N 49 122.287 122.287 119.123 3.164 19425 16567 1 20 . 1 1 49 49 LEU C C 49 176.236 176.236 176.148 0.088 19425 16568 1 20 . 1 1 49 49 LEU CA C 49 53.285 53.285 53.770 -0.485 19425 16569 1 20 . 1 1 49 49 LEU CB C 49 42.907 42.907 45.695 -2.788 19425 16570 1 20 . 1 1 49 49 LEU H H 49 9.108 9.108 8.839 0.269 19425 16571 1 20 . 1 1 50 50 GLU N N 50 123.206 123.206 122.657 0.549 19425 16572 1 20 . 1 1 50 50 GLU C C 50 177.671 177.671 175.344 2.327 19425 16573 1 20 . 1 1 50 50 GLU CA C 50 57.084 57.084 54.823 2.261 19425 16574 1 20 . 1 1 50 50 GLU CB C 50 30.123 30.123 33.035 -2.912 19425 16575 1 20 . 1 1 50 50 GLU H H 50 8.834 8.834 8.539 0.295 19425 16576 1 20 . 1 1 51 51 SER N N 51 118.500 118.500 120.005 -1.505 19425 16577 1 20 . 1 1 51 51 SER C C 51 176.706 176.706 175.001 1.705 19425 16578 1 20 . 1 1 51 51 SER CA C 51 58.560 58.560 57.851 0.709 19425 16579 1 20 . 1 1 51 51 SER CB C 51 63.979 63.979 64.006 -0.027 19425 16580 1 20 . 1 1 51 51 SER H H 51 8.461 8.461 8.785 -0.324 19425 16581 1 20 . 1 1 52 52 THR N N 52 116.205 116.205 115.113 1.092 19425 16582 1 20 . 1 1 52 52 THR C C 52 174.808 174.808 175.434 -0.626 19425 16583 1 20 . 1 1 52 52 THR CA C 52 61.891 61.891 60.187 1.704 19425 16584 1 20 . 1 1 52 52 THR CB C 52 70.076 70.076 70.931 -0.856 19425 16585 1 20 . 1 1 52 52 THR H H 52 8.199 8.199 8.273 -0.074 19425 16586 1 20 . 1 1 65 65 CYS N N 65 117.553 117.553 119.815 -2.262 19425 16587 1 20 . 1 1 65 65 CYS C C 65 176.948 176.948 174.135 2.813 19425 16588 1 20 . 1 1 65 65 CYS CA C 65 57.900 57.900 57.406 0.494 19425 16589 1 20 . 1 1 65 65 CYS CB C 65 30.290 30.290 26.283 4.007 19425 16590 1 20 . 1 1 65 65 CYS H H 65 7.539 7.539 7.548 -0.009 19425 16591 1 20 . 1 1 66 66 THR N N 66 113.614 113.614 118.083 -4.469 19425 16592 1 20 . 1 1 66 66 THR C C 66 180.325 180.325 173.416 6.909 19425 16593 1 20 . 1 1 66 66 THR CA C 66 63.399 63.399 63.334 0.064 19425 16594 1 20 . 1 1 66 66 THR CB C 66 69.281 69.281 69.409 -0.128 19425 16595 1 20 . 1 1 66 66 THR H H 66 6.851 6.851 7.352 -0.501 19425 16596 1 20 . 1 1 67 67 PHE N N 67 126.248 126.248 125.592 0.656 19425 16597 1 20 . 1 1 67 67 PHE C C 67 174.424 174.424 173.920 0.504 19425 16598 1 20 . 1 1 67 67 PHE CA C 67 56.184 56.184 56.929 -0.745 19425 16599 1 20 . 1 1 67 67 PHE CB C 67 43.291 43.291 44.238 -0.947 19425 16600 1 20 . 1 1 67 67 PHE H H 67 9.603 9.603 9.354 0.249 19425 16601 1 20 . 1 1 68 68 VAL N N 68 121.310 121.310 119.286 2.024 19425 16602 1 20 . 1 1 68 68 VAL C C 68 173.719 173.719 175.652 -1.933 19425 16603 1 20 . 1 1 68 68 VAL CA C 68 60.935 60.935 60.936 -0.001 19425 16604 1 20 . 1 1 68 68 VAL CB C 68 34.522 34.522 33.839 0.683 19425 16605 1 20 . 1 1 68 68 VAL H H 68 9.968 9.968 8.662 1.306 19425 16606 1 20 . 1 1 69 69 LEU N N 69 127.011 127.011 128.807 -1.796 19425 16607 1 20 . 1 1 69 69 LEU C C 69 177.152 177.152 177.964 -0.812 19425 16608 1 20 . 1 1 69 69 LEU CA C 69 53.083 53.083 54.574 -1.491 19425 16609 1 20 . 1 1 69 69 LEU CB C 69 39.652 39.652 39.315 0.337 19425 16610 1 20 . 1 1 69 69 LEU H H 69 8.135 8.135 8.528 -0.393 19425 16611 1 20 . 1 1 70 70 GLU N N 70 129.683 129.683 121.888 7.795 19425 16612 1 20 . 1 1 70 70 GLU C C 70 174.869 174.869 176.972 -2.103 19425 16613 1 20 . 1 1 70 70 GLU CA C 70 59.747 59.747 59.220 0.527 19425 16614 1 20 . 1 1 70 70 GLU CB C 70 31.291 31.291 29.918 1.373 19425 16615 1 20 . 1 1 70 70 GLU H H 70 8.654 8.654 8.362 0.292 19425 16616 1 20 . 1 1 71 71 GLN N N 71 110.287 110.287 116.834 -6.547 19425 16617 1 20 . 1 1 71 71 GLN C C 71 176.094 176.094 174.968 1.126 19425 16618 1 20 . 1 1 71 71 GLN CA C 71 54.030 54.030 54.472 -0.442 19425 16619 1 20 . 1 1 71 71 GLN CB C 71 33.112 33.112 32.836 0.276 19425 16620 1 20 . 1 1 71 71 GLN H H 71 7.318 7.318 7.630 -0.312 19425 16621 1 20 . 1 1 72 72 SER N N 72 116.205 116.205 117.719 -1.514 19425 16622 1 20 . 1 1 72 72 SER C C 72 174.035 174.035 173.281 0.754 19425 16623 1 20 . 1 1 72 72 SER CA C 72 58.132 58.132 58.486 -0.354 19425 16624 1 20 . 1 1 72 72 SER CB C 72 64.295 64.295 63.471 0.824 19425 16625 1 20 . 1 1 72 72 SER H H 72 8.380 8.380 8.806 -0.426 19425 16626 1 20 . 1 1 73 73 LEU N N 73 127.858 127.858 125.553 2.305 19425 16627 1 20 . 1 1 73 73 LEU C C 73 173.701 173.701 175.637 -1.936 19425 16628 1 20 . 1 1 73 73 LEU CA C 73 53.347 53.347 53.441 -0.094 19425 16629 1 20 . 1 1 73 73 LEU CB C 73 45.926 45.926 45.262 0.664 19425 16630 1 20 . 1 1 73 73 LEU H H 73 9.532 9.532 8.870 0.662 19425 16631 1 20 . 1 1 74 74 SER N N 74 115.724 115.724 115.148 0.576 19425 16632 1 20 . 1 1 74 74 SER C C 74 177.541 177.541 175.688 1.853 19425 16633 1 20 . 1 1 74 74 SER CA C 74 57.905 57.905 58.584 -0.679 19425 16634 1 20 . 1 1 74 74 SER CB C 74 63.901 63.901 63.318 0.583 19425 16635 1 20 . 1 1 74 74 SER H H 74 8.240 8.240 8.136 0.104 19425 16636 1 20 . 1 1 75 75 VAL N N 75 122.994 122.994 124.795 -1.801 19425 16637 1 20 . 1 1 75 75 VAL C C 75 174.610 174.610 177.570 -2.960 19425 16638 1 20 . 1 1 75 75 VAL CA C 75 67.104 67.104 67.313 -0.209 19425 16639 1 20 . 1 1 75 75 VAL CB C 75 30.953 30.953 31.358 -0.405 19425 16640 1 20 . 1 1 75 75 VAL H H 75 9.056 9.056 8.992 0.064 19425 16641 1 20 . 1 1 76 76 ARG N N 76 119.193 119.193 120.903 -1.710 19425 16642 1 20 . 1 1 76 76 ARG C C 76 178.228 178.228 178.343 -0.115 19425 16643 1 20 . 1 1 76 76 ARG CA C 76 59.087 59.087 59.586 -0.499 19425 16644 1 20 . 1 1 76 76 ARG CB C 76 29.280 29.280 29.509 -0.229 19425 16645 1 20 . 1 1 76 76 ARG H H 76 8.137 8.137 8.491 -0.354 19425 16646 1 20 . 1 1 77 77 ALA N N 77 122.977 122.977 120.393 2.584 19425 16647 1 20 . 1 1 77 77 ALA C C 77 178.506 178.506 179.852 -1.346 19425 16648 1 20 . 1 1 77 77 ALA CA C 77 54.926 54.926 54.813 0.113 19425 16649 1 20 . 1 1 77 77 ALA CB C 77 18.231 18.231 18.153 0.078 19425 16650 1 20 . 1 1 77 77 ALA H H 77 7.699 7.699 8.121 -0.422 19425 16651 1 20 . 1 1 78 78 LEU N N 78 121.115 121.115 120.118 0.997 19425 16652 1 20 . 1 1 78 78 LEU C C 78 180.640 180.640 178.412 2.228 19425 16653 1 20 . 1 1 78 78 LEU CA C 78 57.985 57.985 57.318 0.667 19425 16654 1 20 . 1 1 78 78 LEU CB C 78 40.522 40.522 41.298 -0.776 19425 16655 1 20 . 1 1 78 78 LEU H H 78 8.303 8.303 8.206 0.097 19425 16656 1 20 . 1 1 79 79 GLN N N 79 116.873 116.873 117.435 -0.562 19425 16657 1 20 . 1 1 79 79 GLN C C 79 177.875 177.875 178.451 -0.576 19425 16658 1 20 . 1 1 79 79 GLN CA C 79 59.069 59.069 59.132 -0.063 19425 16659 1 20 . 1 1 79 79 GLN CB C 79 27.254 27.254 28.378 -1.124 19425 16660 1 20 . 1 1 79 79 GLN H H 79 8.390 8.390 8.239 0.151 19425 16661 1 20 . 1 1 80 80 GLU N N 80 120.455 120.455 120.853 -0.398 19425 16662 1 20 . 1 1 80 80 GLU C C 80 179.749 179.749 178.849 0.900 19425 16663 1 20 . 1 1 80 80 GLU CA C 80 59.413 59.413 59.278 0.135 19425 16664 1 20 . 1 1 80 80 GLU CB C 80 29.142 29.142 29.463 -0.321 19425 16665 1 20 . 1 1 80 80 GLU H H 80 7.942 7.942 7.960 -0.018 19425 16666 1 20 . 1 1 81 81 MET N N 81 120.541 120.541 118.460 2.081 19425 16667 1 20 . 1 1 81 81 MET C C 81 178.599 178.599 178.936 -0.337 19425 16668 1 20 . 1 1 81 81 MET CA C 81 59.665 59.665 59.341 0.324 19425 16669 1 20 . 1 1 81 81 MET CB C 81 32.534 32.534 32.873 -0.339 19425 16670 1 20 . 1 1 81 81 MET H H 81 7.870 7.870 7.959 -0.089 19425 16671 1 20 . 1 1 82 82 LEU N N 82 119.662 119.662 118.576 1.086 19425 16672 1 20 . 1 1 82 82 LEU C C 82 179.638 179.638 179.026 0.612 19425 16673 1 20 . 1 1 82 82 LEU CA C 82 57.669 57.669 57.145 0.524 19425 16674 1 20 . 1 1 82 82 LEU CB C 82 40.783 40.783 41.636 -0.853 19425 16675 1 20 . 1 1 82 82 LEU H H 82 8.488 8.488 7.891 0.597 19425 16676 1 20 . 1 1 83 83 ALA N N 83 120.827 120.827 121.079 -0.252 19425 16677 1 20 . 1 1 83 83 ALA C C 83 179.323 179.323 179.117 0.206 19425 16678 1 20 . 1 1 83 83 ALA CA C 83 54.073 54.073 54.794 -0.721 19425 16679 1 20 . 1 1 83 83 ALA CB C 83 18.326 18.326 18.461 -0.135 19425 16680 1 20 . 1 1 83 83 ALA H H 83 7.704 7.704 8.030 -0.326 19425 16681 1 20 . 1 1 84 84 ASN N N 84 115.853 115.853 113.991 1.862 19425 16682 1 20 . 1 1 84 84 ASN C C 84 178.944 178.944 175.954 2.990 19425 16683 1 20 . 1 1 84 84 ASN CA C 84 54.167 54.167 55.253 -1.086 19425 16684 1 20 . 1 1 84 84 ASN CB C 84 39.465 39.465 38.783 0.682 19425 16685 1 20 . 1 1 84 84 ASN H H 84 7.729 7.729 7.918 -0.189 19425 16686 1 20 . 1 1 85 85 THR N N 85 112.611 112.611 108.801 3.810 19425 16687 1 20 . 1 1 85 85 THR C C 85 175.569 175.569 175.345 0.224 19425 16688 1 20 . 1 1 85 85 THR CA C 85 63.086 63.086 63.559 -0.473 19425 16689 1 20 . 1 1 85 85 THR CB C 85 70.071 70.071 68.405 1.666 19425 16690 1 20 . 1 1 85 85 THR H H 85 7.698 7.698 7.279 0.419 19425 16691 1 20 . 1 1 86 86 VAL N N 86 121.812 121.812 119.555 2.257 19425 16692 1 20 . 1 1 86 86 VAL C C 86 174.573 174.573 176.446 -1.873 19425 16693 1 20 . 1 1 86 86 VAL CA C 86 62.811 62.811 64.516 -1.705 19425 16694 1 20 . 1 1 86 86 VAL CB C 86 32.730 32.730 31.979 0.751 19425 16695 1 20 . 1 1 86 86 VAL H H 86 7.874 7.874 7.277 0.597 19425 16696 1 20 . 1 1 87 87 GLU N N 87 124.330 124.330 120.798 3.532 19425 16697 1 20 . 1 1 87 87 GLU C C 87 176.280 176.280 175.450 0.830 19425 16698 1 20 . 1 1 87 87 GLU CA C 87 56.877 56.877 55.060 1.817 19425 16699 1 20 . 1 1 87 87 GLU CB C 87 29.852 29.852 30.614 -0.762 19425 16700 1 20 . 1 1 87 87 GLU H H 87 8.403 8.403 7.760 0.643 19425 16701 1 20 . 1 1 88 88 LYS N N 88 122.065 122.065 126.524 -4.459 19425 16702 1 20 . 1 1 88 88 LYS C C 88 176.966 176.966 175.772 1.194 19425 16703 1 20 . 1 1 88 88 LYS CA C 88 56.799 56.799 56.009 0.790 19425 16704 1 20 . 1 1 88 88 LYS CB C 88 32.597 32.597 33.111 -0.514 19425 16705 1 20 . 1 1 88 88 LYS H H 88 8.330 8.330 8.576 -0.246 19425 16706 1 20 . 1 1 89 89 SER N N 89 116.192 116.192 117.419 -1.227 19425 16707 1 20 . 1 1 89 89 SER C C 89 176.865 176.865 173.732 3.133 19425 16708 1 20 . 1 1 89 89 SER CA C 89 59.008 59.008 57.321 1.687 19425 16709 1 20 . 1 1 89 89 SER CB C 89 63.765 63.765 64.292 -0.527 19425 16710 1 20 . 1 1 89 89 SER H H 89 8.247 8.247 8.302 -0.055 19425 16711 1 20 . 1 1 90 90 GLU N N 90 122.006 122.006 121.058 0.948 19425 16712 1 20 . 1 1 90 90 GLU C C 90 174.702 174.702 177.340 -2.638 19425 16713 1 20 . 1 1 90 90 GLU CA C 90 57.231 57.231 57.351 -0.120 19425 16714 1 20 . 1 1 90 90 GLU CB C 90 29.442 29.442 29.877 -0.435 19425 16715 1 20 . 1 1 90 90 GLU H H 90 8.560 8.560 8.714 -0.154 19425 16716 1 20 . 1 1 91 91 GLY N N 91 110.052 110.052 110.180 -0.128 19425 16717 1 20 . 1 1 91 91 GLY C C 91 177.170 177.170 174.061 3.109 19425 16718 1 20 . 1 1 91 91 GLY CA C 91 45.634 45.634 44.635 0.999 19425 16719 1 20 . 1 1 91 91 GLY H H 91 8.358 8.358 8.585 -0.227 19425 16720 1 20 . 1 1 92 92 GLN N N 92 120.053 120.053 116.573 3.480 19425 16721 1 20 . 1 1 92 92 GLN C C 92 173.905 173.905 176.053 -2.148 19425 16722 1 20 . 1 1 92 92 GLN CA C 92 55.261 55.261 56.764 -1.503 19425 16723 1 20 . 1 1 92 92 GLN CB C 92 29.573 29.573 27.881 1.692 19425 16724 1 20 . 1 1 92 92 GLN H H 92 8.075 8.075 7.560 0.515 19425 16725 1 20 . 1 1 93 93 VAL N N 93 123.434 123.434 115.224 8.210 19425 16726 1 20 . 1 1 93 93 VAL C C 93 175.667 175.667 175.852 -0.185 19425 16727 1 20 . 1 1 93 93 VAL CA C 93 62.914 62.914 64.782 -1.868 19425 16728 1 20 . 1 1 93 93 VAL CB C 93 32.629 32.629 32.072 0.557 19425 16729 1 20 . 1 1 93 93 VAL H H 93 8.370 8.370 8.185 0.185 19425 16730 1 20 . 1 1 94 94 ASP N N 94 125.761 125.761 121.888 3.873 19425 16731 1 20 . 1 1 94 94 ASP C C 94 175.704 175.704 176.212 -0.508 19425 16732 1 20 . 1 1 94 94 ASP CA C 94 53.743 53.743 54.594 -0.851 19425 16733 1 20 . 1 1 94 94 ASP CB C 94 40.771 40.771 39.479 1.292 19425 16734 1 20 . 1 1 94 94 ASP H H 94 8.550 8.550 8.628 -0.078 19425 16735 1 20 . 1 1 95 95 VAL N N 95 125.064 125.064 116.616 8.448 19425 16736 1 20 . 1 1 95 95 VAL C C 95 176.465 176.465 176.539 -0.074 19425 16737 1 20 . 1 1 95 95 VAL CA C 95 65.487 65.487 63.353 2.134 19425 16738 1 20 . 1 1 95 95 VAL CB C 95 31.773 31.773 31.934 -0.161 19425 16739 1 20 . 1 1 95 95 VAL H H 95 8.300 8.300 7.569 0.731 19425 16740 1 20 . 1 1 96 96 GLU N N 96 120.880 120.880 122.047 -1.167 19425 16741 1 20 . 1 1 96 96 GLU C C 96 177.523 177.523 177.716 -0.193 19425 16742 1 20 . 1 1 96 96 GLU CA C 96 59.157 59.157 58.868 0.289 19425 16743 1 20 . 1 1 96 96 GLU CB C 96 28.575 28.575 29.222 -0.647 19425 16744 1 20 . 1 1 96 96 GLU H H 96 8.297 8.297 8.707 -0.410 19425 16745 1 20 . 1 1 97 97 LYS N N 97 121.943 121.943 119.214 2.729 19425 16746 1 20 . 1 1 97 97 LYS C C 97 179.434 179.434 178.738 0.696 19425 16747 1 20 . 1 1 97 97 LYS CA C 97 59.186 59.186 57.987 1.199 19425 16748 1 20 . 1 1 97 97 LYS CB C 97 32.036 32.036 32.723 -0.687 19425 16749 1 20 . 1 1 97 97 LYS H H 97 7.979 7.979 8.091 -0.112 19425 16750 1 20 . 1 1 98 98 TRP N N 98 121.420 121.420 122.044 -0.624 19425 16751 1 20 . 1 1 98 98 TRP C C 98 178.673 178.673 177.111 1.562 19425 16752 1 20 . 1 1 98 98 TRP CA C 98 60.176 60.176 60.595 -0.419 19425 16753 1 20 . 1 1 98 98 TRP CB C 98 29.340 29.340 29.297 0.043 19425 16754 1 20 . 1 1 98 98 TRP H H 98 8.202 8.202 8.716 -0.514 19425 16755 1 20 . 1 1 99 99 LYS N N 99 118.236 118.236 118.781 -0.545 19425 16756 1 20 . 1 1 99 99 LYS C C 99 177.374 177.374 178.775 -1.401 19425 16757 1 20 . 1 1 99 99 LYS CA C 99 59.812 59.812 59.771 0.041 19425 16758 1 20 . 1 1 99 99 LYS CB C 99 32.042 32.042 31.531 0.511 19425 16759 1 20 . 1 1 99 99 LYS H H 99 8.346 8.346 8.434 -0.088 19425 16760 1 20 . 1 1 100 100 PHE N N 100 120.365 120.365 120.517 -0.152 19425 16761 1 20 . 1 1 100 100 PHE C C 100 179.193 179.193 177.239 1.954 19425 16762 1 20 . 1 1 100 100 PHE CA C 100 60.902 60.902 60.915 -0.013 19425 16763 1 20 . 1 1 100 100 PHE CB C 100 38.875 38.875 39.228 -0.353 19425 16764 1 20 . 1 1 100 100 PHE H H 100 7.916 7.916 7.586 0.330 19425 16765 1 20 . 1 1 101 101 MET N N 101 121.837 121.837 121.060 0.777 19425 16766 1 20 . 1 1 101 101 MET C C 101 178.172 178.172 178.107 0.065 19425 16767 1 20 . 1 1 101 101 MET CA C 101 58.625 58.625 57.807 0.818 19425 16768 1 20 . 1 1 101 101 MET CB C 101 32.081 32.081 31.954 0.127 19425 16769 1 20 . 1 1 101 101 MET H H 101 8.393 8.393 8.180 0.213 19425 16770 1 20 . 1 1 102 102 MET N N 102 119.901 119.901 118.224 1.677 19425 16771 1 20 . 1 1 102 102 MET C C 102 178.655 178.655 177.937 0.718 19425 16772 1 20 . 1 1 102 102 MET CA C 102 57.867 57.867 57.921 -0.054 19425 16773 1 20 . 1 1 102 102 MET CB C 102 32.414 32.414 31.374 1.040 19425 16774 1 20 . 1 1 102 102 MET H H 102 8.174 8.174 8.066 0.108 19425 16775 1 20 . 1 1 103 103 LYS N N 103 120.555 120.555 119.393 1.162 19425 16776 1 20 . 1 1 103 103 LYS C C 103 177.857 177.857 178.711 -0.854 19425 16777 1 20 . 1 1 103 103 LYS CA C 103 58.592 58.592 59.844 -1.252 19425 16778 1 20 . 1 1 103 103 LYS CB C 103 31.816 31.816 32.189 -0.373 19425 16779 1 20 . 1 1 103 103 LYS H H 103 7.899 7.899 7.984 -0.085 19425 16780 1 20 . 1 1 104 104 THR N N 104 115.450 115.450 112.808 2.642 19425 16781 1 20 . 1 1 104 104 THR C C 104 179.267 179.267 176.350 2.917 19425 16782 1 20 . 1 1 104 104 THR CA C 104 64.914 64.914 65.389 -0.475 19425 16783 1 20 . 1 1 104 104 THR CB C 104 69.103 69.103 67.978 1.125 19425 16784 1 20 . 1 1 104 104 THR H H 104 7.895 7.895 7.848 0.047 19425 16785 1 20 . 1 1 105 105 ALA N N 105 124.862 124.862 122.816 2.046 19425 16786 1 20 . 1 1 105 105 ALA C C 105 176.057 176.057 179.326 -3.269 19425 16787 1 20 . 1 1 105 105 ALA CA C 105 54.106 54.106 54.547 -0.441 19425 16788 1 20 . 1 1 105 105 ALA CB C 105 18.493 18.493 17.895 0.598 19425 16789 1 20 . 1 1 105 105 ALA H H 105 7.896 7.896 7.720 0.176 19425 16790 1 20 . 1 1 106 106 GLN N N 106 117.285 117.285 117.690 -0.405 19425 16791 1 20 . 1 1 106 106 GLN C C 106 178.655 178.655 178.349 0.306 19425 16792 1 20 . 1 1 106 106 GLN CA C 106 56.913 56.913 57.556 -0.643 19425 16793 1 20 . 1 1 106 106 GLN CB C 106 29.148 29.148 29.174 -0.026 19425 16794 1 20 . 1 1 106 106 GLN H H 106 7.944 7.944 7.922 0.022 19425 16795 1 20 . 1 1 107 107 GLY N N 107 107.494 107.494 107.163 0.331 19425 16796 1 20 . 1 1 107 107 GLY C C 107 177.597 177.597 175.217 2.380 19425 16797 1 20 . 1 1 107 107 GLY CA C 107 45.975 45.975 45.893 0.082 19425 16798 1 20 . 1 1 107 107 GLY H H 107 7.852 7.852 7.973 -0.121 19425 16799 1 20 . 1 1 108 108 GLY N N 108 109.642 109.642 110.209 -0.567 19425 16800 1 20 . 1 1 108 108 GLY C C 108 174.740 174.740 174.186 0.554 19425 16801 1 20 . 1 1 108 108 GLY CA C 108 45.151 45.151 46.089 -0.938 19425 16802 1 20 . 1 1 108 108 GLY H H 108 8.313 8.313 8.238 0.075 19425 16803 1 20 . 1 1 109 109 GLY N N 109 108.058 108.058 107.868 0.190 19425 16804 1 20 . 1 1 109 109 GLY C C 109 174.313 174.313 173.011 1.302 19425 16805 1 20 . 1 1 109 109 GLY CA C 109 44.659 44.659 44.447 0.213 19425 16806 1 20 . 1 1 109 109 GLY H H 109 8.059 8.059 7.715 0.344 19425 16807 1 20 . 1 1 110 110 HIS N N 110 118.432 118.432 118.414 0.018 19425 16808 1 20 . 1 1 110 110 HIS C C 110 173.348 173.348 175.184 -1.836 19425 16809 1 20 . 1 1 110 110 HIS CA C 110 55.590 55.590 56.033 -0.443 19425 16810 1 20 . 1 1 110 110 HIS CB C 110 28.502 28.502 31.162 -2.660 19425 16811 1 20 . 1 1 110 110 HIS H H 110 8.261 8.261 8.226 0.035 19425 16812 1 20 . 1 1 111 111 ARG N N 111 122.052 122.052 118.040 4.012 19425 16813 1 20 . 1 1 111 111 ARG C C 111 174.908 174.908 174.964 -0.056 19425 16814 1 20 . 1 1 111 111 ARG CA C 111 55.233 55.233 55.151 0.082 19425 16815 1 20 . 1 1 111 111 ARG CB C 111 31.125 31.125 32.567 -1.442 19425 16816 1 20 . 1 1 111 111 ARG H H 111 8.597 8.597 8.775 -0.178 19425 16817 1 20 . 1 1 112 112 THR N N 112 120.248 120.248 117.802 2.446 19425 16818 1 20 . 1 1 112 112 THR C C 112 176.447 176.447 174.528 1.919 19425 16819 1 20 . 1 1 112 112 THR CA C 112 63.723 63.723 62.797 0.926 19425 16820 1 20 . 1 1 112 112 THR CB C 112 68.984 68.984 69.483 -0.499 19425 16821 1 20 . 1 1 112 112 THR H H 112 8.577 8.577 8.374 0.202 19425 16822 1 20 . 1 1 113 113 LEU N N 113 130.382 130.382 126.537 3.845 19425 16823 1 20 . 1 1 113 113 LEU C C 113 174.294 174.294 175.386 -1.092 19425 16824 1 20 . 1 1 113 113 LEU CA C 113 56.791 56.791 54.975 1.816 19425 16825 1 20 . 1 1 113 113 LEU CB C 113 41.705 41.705 42.675 -0.970 19425 16826 1 20 . 1 1 113 113 LEU H H 113 8.515 8.515 8.829 -0.314 19425 16827 1 20 . 1 1 114 114 LEU N N 114 118.829 118.829 122.076 -3.247 19425 16828 1 20 . 1 1 114 114 LEU C C 114 175.278 175.278 176.624 -1.346 19425 16829 1 20 . 1 1 114 114 LEU CA C 114 51.667 51.667 52.557 -0.890 19425 16830 1 20 . 1 1 114 114 LEU CB C 114 42.454 42.454 44.237 -1.783 19425 16831 1 20 . 1 1 114 114 LEU H H 114 6.454 6.454 8.126 -1.672 19425 16832 1 20 . 1 1 115 115 TYR N N 115 119.059 119.059 121.481 -2.422 19425 16833 1 20 . 1 1 115 115 TYR C C 115 177.152 177.152 177.203 -0.051 19425 16834 1 20 . 1 1 115 115 TYR CA C 115 62.452 62.452 60.712 1.740 19425 16835 1 20 . 1 1 115 115 TYR CB C 115 38.058 38.058 37.823 0.235 19425 16836 1 20 . 1 1 115 115 TYR H H 115 8.797 8.797 8.727 0.070 19425 16837 1 20 . 1 1 116 116 GLY N N 116 115.795 115.795 113.556 2.239 19425 16838 1 20 . 1 1 116 116 GLY C C 116 178.061 178.061 173.854 4.207 19425 16839 1 20 . 1 1 116 116 GLY CA C 116 45.100 45.100 45.022 0.078 19425 16840 1 20 . 1 1 116 116 GLY H H 116 9.672 9.672 9.063 0.609 19425 16841 1 20 . 1 1 117 117 HIS N N 117 122.193 122.193 121.457 0.736 19425 16842 1 20 . 1 1 117 117 HIS C C 117 175.463 175.463 173.814 1.649 19425 16843 1 20 . 1 1 117 117 HIS CA C 117 56.119 56.119 55.704 0.415 19425 16844 1 20 . 1 1 117 117 HIS CB C 117 32.293 32.293 30.377 1.917 19425 16845 1 20 . 1 1 117 117 HIS H H 117 8.113 8.113 7.874 0.239 19425 16846 1 20 . 1 1 118 118 ALA N N 118 120.893 120.893 126.574 -5.681 19425 16847 1 20 . 1 1 118 118 ALA C C 118 173.775 173.775 176.138 -2.363 19425 16848 1 20 . 1 1 118 118 ALA CA C 118 50.378 50.378 51.437 -1.059 19425 16849 1 20 . 1 1 118 118 ALA CB C 118 21.646 21.646 19.577 2.069 19425 16850 1 20 . 1 1 118 118 ALA H H 118 9.458 9.458 8.965 0.493 19425 16851 1 20 . 1 1 120 120 LEU N N 120 119.631 119.631 123.948 -4.317 19425 16852 1 20 . 1 1 120 120 LEU C C 120 173.367 173.367 174.747 -1.380 19425 16853 1 20 . 1 1 120 120 LEU CA C 120 56.217 56.217 52.874 3.343 19425 16854 1 20 . 1 1 120 120 LEU CB C 120 39.519 39.519 44.053 -4.534 19425 16855 1 20 . 1 1 120 120 LEU H H 120 8.746 8.746 8.245 0.501 19425 16856 1 20 . 1 1 121 121 LEU N N 121 118.900 118.900 126.977 -8.077 19425 16857 1 20 . 1 1 121 121 LEU C C 121 171.400 171.400 175.739 -4.339 19425 16858 1 20 . 1 1 121 121 LEU CA C 121 52.852 52.852 53.681 -0.829 19425 16859 1 20 . 1 1 121 121 LEU CB C 121 43.452 43.452 42.797 0.655 19425 16860 1 20 . 1 1 121 121 LEU H H 121 8.590 8.590 8.575 0.015 19425 16861 1 20 . 1 1 122 122 ARG N N 122 123.588 123.588 124.996 -1.408 19425 16862 1 20 . 1 1 122 122 ARG C C 122 176.465 176.465 175.467 0.998 19425 16863 1 20 . 1 1 122 122 ARG CA C 122 54.403 54.403 54.054 0.348 19425 16864 1 20 . 1 1 122 122 ARG CB C 122 32.897 32.897 31.660 1.237 19425 16865 1 20 . 1 1 122 122 ARG H H 122 9.077 9.077 8.800 0.277 19425 16866 1 20 . 1 1 123 123 HIS N N 123 131.440 131.440 127.684 3.756 19425 16867 1 20 . 1 1 123 123 HIS C C 123 175.704 175.704 175.658 0.046 19425 16868 1 20 . 1 1 123 123 HIS CA C 123 56.637 56.637 56.798 -0.161 19425 16869 1 20 . 1 1 123 123 HIS CB C 123 31.261 31.261 30.117 1.144 19425 16870 1 20 . 1 1 123 123 HIS H H 123 9.622 9.622 8.552 1.070 19425 16871 1 20 . 1 1 124 124 SER N N 124 127.024 127.024 124.482 2.542 19425 16872 1 20 . 1 1 124 124 SER C C 124 175.686 175.686 175.855 -0.169 19425 16873 1 20 . 1 1 124 124 SER CA C 124 62.010 62.010 61.804 0.206 19425 16874 1 20 . 1 1 124 124 SER CB C 124 62.912 62.912 62.835 0.077 19425 16875 1 20 . 1 1 124 124 SER H H 124 7.840 7.840 7.820 0.020 19425 16876 1 20 . 1 1 125 125 TYR N N 125 119.708 119.708 120.894 -1.186 19425 16877 1 20 . 1 1 125 125 TYR C C 125 180.696 180.696 177.079 3.617 19425 16878 1 20 . 1 1 125 125 TYR CA C 125 60.903 60.903 60.629 0.274 19425 16879 1 20 . 1 1 125 125 TYR CB C 125 38.744 38.744 38.559 0.185 19425 16880 1 20 . 1 1 125 125 TYR H H 125 8.746 8.746 7.397 1.349 19425 16881 1 20 . 1 1 126 126 SER N N 126 110.333 110.333 112.048 -1.715 19425 16882 1 20 . 1 1 126 126 SER C C 126 176.543 176.543 175.831 0.712 19425 16883 1 20 . 1 1 126 126 SER CA C 126 59.366 59.366 59.427 -0.061 19425 16884 1 20 . 1 1 126 126 SER CB C 126 65.282 65.282 64.769 0.513 19425 16885 1 20 . 1 1 126 126 SER H H 126 7.004 7.004 8.054 -1.050 19425 16886 1 20 . 1 1 127 127 GLY N N 127 113.322 113.322 109.346 3.976 19425 16887 1 20 . 1 1 127 127 GLY C C 127 176.428 176.428 174.336 2.092 19425 16888 1 20 . 1 1 127 127 GLY CA C 127 46.064 46.064 45.775 0.289 19425 16889 1 20 . 1 1 127 127 GLY H H 127 8.181 8.181 8.439 -0.258 19425 16890 1 20 . 1 1 128 128 MET N N 128 118.598 118.598 118.949 -0.351 19425 16891 1 20 . 1 1 128 128 MET C C 128 173.200 173.200 175.051 -1.851 19425 16892 1 20 . 1 1 128 128 MET CA C 128 55.429 55.429 56.308 -0.879 19425 16893 1 20 . 1 1 128 128 MET CB C 128 35.988 35.988 34.450 1.538 19425 16894 1 20 . 1 1 128 128 MET H H 128 7.551 7.551 7.451 0.100 19425 16895 1 20 . 1 1 129 129 TYR N N 129 116.715 116.715 114.476 2.239 19425 16896 1 20 . 1 1 129 129 TYR C C 129 172.884 172.884 175.870 -2.986 19425 16897 1 20 . 1 1 129 129 TYR CA C 129 58.658 58.658 57.181 1.477 19425 16898 1 20 . 1 1 129 129 TYR CB C 129 40.914 40.914 41.159 -0.245 19425 16899 1 20 . 1 1 129 129 TYR H H 129 8.923 8.923 8.490 0.433 19425 16900 1 20 . 1 1 130 130 LEU N N 130 123.061 123.061 124.972 -1.911 19425 16901 1 20 . 1 1 130 130 LEU C C 130 176.677 176.677 175.875 0.802 19425 16902 1 20 . 1 1 130 130 LEU CA C 130 56.311 56.311 56.259 0.052 19425 16903 1 20 . 1 1 130 130 LEU CB C 130 42.909 42.909 42.511 0.398 19425 16904 1 20 . 1 1 130 130 LEU H H 130 8.236 8.236 9.044 -0.808 19425 16905 1 20 . 1 1 131 131 CYS N N 131 126.618 126.618 126.234 0.384 19425 16906 1 20 . 1 1 131 131 CYS C C 131 177.616 177.616 172.999 4.617 19425 16907 1 20 . 1 1 131 131 CYS CA C 131 57.028 57.028 56.756 0.272 19425 16908 1 20 . 1 1 131 131 CYS CB C 131 32.339 32.339 30.592 1.747 19425 16909 1 20 . 1 1 131 131 CYS H H 131 9.516 9.516 9.385 0.131 19425 16910 1 20 . 1 1 132 132 CYS N N 132 124.860 124.860 127.163 -2.303 19425 16911 1 20 . 1 1 132 132 CYS C C 132 172.309 172.309 174.365 -2.056 19425 16912 1 20 . 1 1 132 132 CYS CA C 132 59.436 59.436 57.267 2.169 19425 16913 1 20 . 1 1 132 132 CYS CB C 132 27.383 27.383 25.860 1.523 19425 16914 1 20 . 1 1 132 132 CYS H H 132 8.142 8.142 8.180 -0.038 19425 16915 1 20 . 1 1 133 133 LEU N N 133 131.382 131.382 127.322 4.060 19425 16916 1 20 . 1 1 133 133 LEU C C 133 174.035 174.035 177.348 -3.313 19425 16917 1 20 . 1 1 133 133 LEU CA C 133 54.799 54.799 55.136 -0.337 19425 16918 1 20 . 1 1 133 133 LEU CB C 133 41.109 41.109 42.672 -1.563 19425 16919 1 20 . 1 1 133 133 LEU H H 133 9.008 9.008 8.145 0.863 19425 16920 1 20 . 1 1 134 134 SER N N 134 112.103 112.103 113.101 -0.998 19425 16921 1 20 . 1 1 134 134 SER C C 134 175.519 175.519 174.355 1.164 19425 16922 1 20 . 1 1 134 134 SER CA C 134 58.320 58.320 59.068 -0.748 19425 16923 1 20 . 1 1 134 134 SER CB C 134 63.979 63.979 63.129 0.850 19425 16924 1 20 . 1 1 134 134 SER H H 134 8.229 8.229 8.484 -0.255 19425 16925 1 20 . 1 1 135 135 THR N N 135 111.693 111.693 112.660 -0.967 19425 16926 1 20 . 1 1 135 135 THR C C 135 174.535 174.535 175.404 -0.869 19425 16927 1 20 . 1 1 135 135 THR CA C 135 60.703 60.703 60.516 0.187 19425 16928 1 20 . 1 1 135 135 THR CB C 135 70.624 70.624 70.968 -0.344 19425 16929 1 20 . 1 1 135 135 THR H H 135 7.292 7.292 7.278 0.014 19425 16930 1 20 . 1 1 136 136 SER N N 136 117.260 117.260 123.566 -6.306 19425 16931 1 20 . 1 1 136 136 SER C C 136 173.478 173.478 175.271 -1.793 19425 16932 1 20 . 1 1 136 136 SER CA C 136 57.537 57.537 60.894 -3.357 19425 16933 1 20 . 1 1 136 136 SER CB C 136 64.593 64.593 63.969 0.624 19425 16934 1 20 . 1 1 136 136 SER H H 136 8.544 8.544 9.071 -0.527 19425 16935 1 20 . 1 1 137 137 ARG N N 137 124.804 124.804 117.928 6.876 19425 16936 1 20 . 1 1 137 137 ARG C C 137 175.000 175.000 175.659 -0.659 19425 16937 1 20 . 1 1 137 137 ARG CA C 137 56.922 56.922 56.827 0.095 19425 16938 1 20 . 1 1 137 137 ARG CB C 137 30.733 30.733 30.596 0.137 19425 16939 1 20 . 1 1 137 137 ARG H H 137 9.231 9.231 8.050 1.181 19425 16940 1 20 . 1 1 138 138 SER N N 138 126.225 126.225 114.220 12.005 19425 16941 1 20 . 1 1 138 138 SER C C 138 175.871 175.871 174.746 1.125 19425 16942 1 20 . 1 1 138 138 SER CA C 138 61.891 61.891 58.561 3.330 19425 16943 1 20 . 1 1 138 138 SER CB C 138 62.730 62.730 64.859 -2.129 19425 16944 1 20 . 1 1 138 138 SER H H 138 7.891 7.891 8.295 -0.404 19425 16945 1 20 . 1 1 140 140 THR N N 140 114.799 114.799 119.025 -4.226 19425 16946 1 20 . 1 1 140 140 THR C C 140 173.756 173.756 174.633 -0.877 19425 16947 1 20 . 1 1 140 140 THR CA C 140 62.895 62.895 65.173 -2.278 19425 16948 1 20 . 1 1 140 140 THR CB C 140 69.332 69.332 69.333 -0.001 19425 16949 1 20 . 1 1 140 140 THR H H 140 8.168 8.168 8.324 -0.156 19425 16950 1 20 . 1 1 141 141 ASP N N 141 121.772 121.772 116.499 5.273 19425 16951 1 20 . 1 1 141 141 ASP C C 141 174.795 174.795 175.462 -0.667 19425 16952 1 20 . 1 1 141 141 ASP CA C 141 54.001 54.001 54.578 -0.577 19425 16953 1 20 . 1 1 141 141 ASP CB C 141 40.914 40.914 41.279 -0.365 19425 16954 1 20 . 1 1 141 141 ASP H H 141 8.049 8.049 8.384 -0.335 19425 16955 1 20 . 1 1 142 142 LYS N N 142 121.585 121.585 118.010 3.575 19425 16956 1 20 . 1 1 142 142 LYS C C 142 176.274 176.274 176.169 0.105 19425 16957 1 20 . 1 1 142 142 LYS CA C 142 57.106 57.106 56.231 0.875 19425 16958 1 20 . 1 1 142 142 LYS CB C 142 31.369 31.369 33.495 -2.126 19425 16959 1 20 . 1 1 142 142 LYS H H 142 8.376 8.376 7.791 0.585 19425 16960 1 20 . 1 1 143 143 LEU N N 143 119.604 119.604 119.217 0.387 19425 16961 1 20 . 1 1 143 143 LEU C C 143 176.798 176.798 176.369 0.429 19425 16962 1 20 . 1 1 143 143 LEU CA C 143 55.261 55.261 56.953 -1.692 19425 16963 1 20 . 1 1 143 143 LEU CB C 143 41.487 41.487 40.951 0.536 19425 16964 1 20 . 1 1 143 143 LEU H H 143 8.262 8.262 8.622 -0.360 19425 16965 1 20 . 1 1 144 144 ALA N N 144 123.881 123.881 119.277 4.604 19425 16966 1 20 . 1 1 144 144 ALA C C 144 176.410 176.410 176.266 0.144 19425 16967 1 20 . 1 1 144 144 ALA CA C 144 51.335 51.335 50.606 0.729 19425 16968 1 20 . 1 1 144 144 ALA CB C 144 20.924 20.924 21.306 -0.382 19425 16969 1 20 . 1 1 144 144 ALA H H 144 7.614 7.614 7.692 -0.078 19425 16970 1 20 . 1 1 145 145 PHE N N 145 120.083 120.083 118.397 1.686 19425 16971 1 20 . 1 1 145 145 PHE C C 145 176.948 176.948 175.781 1.167 19425 16972 1 20 . 1 1 145 145 PHE CA C 145 55.872 55.872 56.305 -0.433 19425 16973 1 20 . 1 1 145 145 PHE CB C 145 42.468 42.468 40.971 1.497 19425 16974 1 20 . 1 1 145 145 PHE H H 145 8.647 8.647 8.731 -0.084 19425 16975 1 20 . 1 1 146 146 ASP N N 146 119.893 119.893 120.313 -0.420 19425 16976 1 20 . 1 1 146 146 ASP C C 146 175.519 175.519 174.484 1.035 19425 16977 1 20 . 1 1 146 146 ASP CA C 146 54.679 54.679 54.918 -0.239 19425 16978 1 20 . 1 1 146 146 ASP CB C 146 42.169 42.169 42.816 -0.647 19425 16979 1 20 . 1 1 146 146 ASP H H 146 8.692 8.692 9.118 -0.426 19425 16980 1 20 . 1 1 147 147 VAL N N 147 118.800 118.800 121.678 -2.878 19425 16981 1 20 . 1 1 147 147 VAL C C 147 174.053 174.053 175.574 -1.521 19425 16982 1 20 . 1 1 147 147 VAL CA C 147 60.671 60.671 61.319 -0.648 19425 16983 1 20 . 1 1 147 147 VAL CB C 147 35.326 35.326 33.120 2.206 19425 16984 1 20 . 1 1 147 147 VAL H H 147 8.224 8.224 8.548 -0.324 19425 16985 1 20 . 1 1 148 148 GLY N N 148 113.226 113.226 114.612 -1.386 19425 16986 1 20 . 1 1 148 148 GLY C C 148 175.141 175.141 172.188 2.953 19425 16987 1 20 . 1 1 148 148 GLY CA C 148 45.384 45.384 43.754 1.630 19425 16988 1 20 . 1 1 148 148 GLY H H 148 8.594 8.594 8.754 -0.160 19425 16989 1 20 . 1 1 149 149 LEU N N 149 120.880 120.880 119.394 1.486 19425 16990 1 20 . 1 1 149 149 LEU C C 149 170.973 170.973 175.303 -4.330 19425 16991 1 20 . 1 1 149 149 LEU CA C 149 53.299 53.299 53.676 -0.377 19425 16992 1 20 . 1 1 149 149 LEU CB C 149 43.938 43.938 45.429 -1.491 19425 16993 1 20 . 1 1 149 149 LEU H H 149 8.303 8.303 8.146 0.157 19425 16994 1 20 . 1 1 150 150 GLN N N 150 118.978 118.978 119.871 -0.893 19425 16995 1 20 . 1 1 150 150 GLN C C 150 177.133 177.133 175.758 1.375 19425 16996 1 20 . 1 1 150 150 GLN CA C 150 54.723 54.723 54.983 -0.260 19425 16997 1 20 . 1 1 150 150 GLN CB C 150 32.690 32.690 32.373 0.317 19425 16998 1 20 . 1 1 150 150 GLN H H 150 9.115 9.115 8.639 0.476 19425 16999 1 20 . 1 1 151 151 GLU N N 151 121.344 121.344 124.377 -3.033 19425 17000 1 20 . 1 1 151 151 GLU C C 151 175.333 175.333 176.271 -0.938 19425 17001 1 20 . 1 1 151 151 GLU CA C 151 59.140 59.140 59.249 -0.109 19425 17002 1 20 . 1 1 151 151 GLU CB C 151 30.735 30.735 29.671 1.064 19425 17003 1 20 . 1 1 151 151 GLU H H 151 9.142 9.142 8.847 0.295 19425 17004 1 20 . 1 1 152 152 ASP N N 152 117.494 117.494 116.333 1.161 19425 17005 1 20 . 1 1 152 152 ASP C C 152 176.391 176.391 176.075 0.316 19425 17006 1 20 . 1 1 152 152 ASP CA C 152 54.139 54.139 54.026 0.113 19425 17007 1 20 . 1 1 152 152 ASP CB C 152 41.920 41.920 41.980 -0.060 19425 17008 1 20 . 1 1 152 152 ASP H H 152 8.023 8.023 8.075 -0.052 19425 17009 1 20 . 1 1 153 153 THR N N 153 111.969 111.969 106.644 5.325 19425 17010 1 20 . 1 1 153 153 THR C C 153 175.964 175.964 174.982 0.982 19425 17011 1 20 . 1 1 153 153 THR CA C 153 61.894 61.894 62.404 -0.510 19425 17012 1 20 . 1 1 153 153 THR CB C 153 68.903 68.903 69.087 -0.184 19425 17013 1 20 . 1 1 153 153 THR H H 153 7.985 7.985 8.158 -0.173 19425 17014 1 20 . 1 1 154 154 THR N N 154 113.978 113.978 114.437 -0.459 19425 17015 1 20 . 1 1 154 154 THR C C 154 175.000 175.000 175.237 -0.237 19425 17016 1 20 . 1 1 154 154 THR CA C 154 62.359 62.359 63.677 -1.318 19425 17017 1 20 . 1 1 154 154 THR CB C 154 69.210 69.210 68.644 0.566 19425 17018 1 20 . 1 1 154 154 THR H H 154 7.790 7.790 7.713 0.077 19425 17019 1 20 . 1 1 155 155 GLY N N 155 108.411 108.411 114.360 -5.949 19425 17020 1 20 . 1 1 155 155 GLY C C 155 174.702 174.702 172.391 2.311 19425 17021 1 20 . 1 1 155 155 GLY CA C 155 44.737 44.737 44.680 0.057 19425 17022 1 20 . 1 1 155 155 GLY H H 155 7.639 7.639 7.870 -0.231 19425 17023 1 20 . 1 1 156 156 GLU N N 156 118.666 118.666 119.360 -0.694 19425 17024 1 20 . 1 1 156 156 GLU C C 156 173.571 173.571 177.964 -4.393 19425 17025 1 20 . 1 1 156 156 GLU CA C 156 59.352 59.352 56.911 2.441 19425 17026 1 20 . 1 1 156 156 GLU CB C 156 31.248 31.248 30.242 1.006 19425 17027 1 20 . 1 1 156 156 GLU H H 156 8.606 8.606 8.703 -0.097 19425 17028 1 20 . 1 1 157 157 ALA N N 157 118.664 118.664 123.790 -5.126 19425 17029 1 20 . 1 1 157 157 ALA C C 157 177.727 177.727 178.427 -0.700 19425 17030 1 20 . 1 1 157 157 ALA CA C 157 55.063 55.063 54.526 0.537 19425 17031 1 20 . 1 1 157 157 ALA CB C 157 18.856 18.856 18.262 0.594 19425 17032 1 20 . 1 1 157 157 ALA H H 157 8.159 8.159 8.456 -0.297 19425 17033 1 20 . 1 1 158 158 CYS N N 158 114.681 114.681 114.913 -0.232 19425 17034 1 20 . 1 1 158 158 CYS C C 158 179.972 179.972 173.685 6.287 19425 17035 1 20 . 1 1 158 158 CYS CA C 158 57.585 57.585 59.044 -1.458 19425 17036 1 20 . 1 1 158 158 CYS CB C 158 27.977 27.977 26.626 1.351 19425 17037 1 20 . 1 1 158 158 CYS H H 158 7.973 7.973 8.236 -0.263 19425 17038 1 20 . 1 1 165 165 ALA N N 165 122.416 122.416 127.937 -5.521 19425 17039 1 20 . 1 1 165 165 ALA C C 165 176.743 176.743 177.610 -0.867 19425 17040 1 20 . 1 1 165 165 ALA CA C 165 52.390 52.390 53.752 -1.362 19425 17041 1 20 . 1 1 165 165 ALA CB C 165 20.486 20.486 19.355 1.131 19425 17042 1 20 . 1 1 165 165 ALA H H 165 8.190 8.190 8.595 -0.405 19425 17043 1 20 . 1 1 166 166 SER N N 166 111.681 111.681 113.193 -1.512 19425 17044 1 20 . 1 1 166 166 SER C C 166 176.876 176.876 174.196 2.680 19425 17045 1 20 . 1 1 166 166 SER CA C 166 56.863 56.863 57.281 -0.417 19425 17046 1 20 . 1 1 166 166 SER CB C 166 65.738 65.738 64.925 0.813 19425 17047 1 20 . 1 1 166 166 SER H H 166 7.690 7.690 7.788 -0.098 19425 17048 1 20 . 1 1 167 167 LYS N N 167 121.655 121.655 119.072 2.583 19425 17049 1 20 . 1 1 167 167 LYS C C 167 175.241 175.241 176.485 -1.244 19425 17050 1 20 . 1 1 167 167 LYS CA C 167 55.297 55.297 57.228 -1.931 19425 17051 1 20 . 1 1 167 167 LYS CB C 167 31.364 31.364 32.352 -0.988 19425 17052 1 20 . 1 1 167 167 LYS H H 167 8.230 8.230 8.508 -0.278 19425 17053 1 20 . 1 1 168 168 GLN N N 168 117.832 117.832 117.302 0.530 19425 17054 1 20 . 1 1 168 168 GLN C C 168 176.836 176.836 176.264 0.572 19425 17055 1 20 . 1 1 168 168 GLN CA C 168 57.366 57.366 56.420 0.946 19425 17056 1 20 . 1 1 168 168 GLN CB C 168 28.979 28.979 28.872 0.107 19425 17057 1 20 . 1 1 168 168 GLN H H 168 8.134 8.134 8.226 -0.092 19425 17058 1 20 . 1 1 169 169 ARG N N 169 117.052 117.052 120.852 -3.800 19425 17059 1 20 . 1 1 169 169 ARG C C 169 175.946 175.946 175.096 0.850 19425 17060 1 20 . 1 1 169 169 ARG CA C 169 52.885 52.885 54.728 -1.843 19425 17061 1 20 . 1 1 169 169 ARG CB C 169 32.795 32.795 30.878 1.917 19425 17062 1 20 . 1 1 169 169 ARG H H 169 7.209 7.209 7.820 -0.611 19425 17063 1 20 . 1 1 170 170 SER N N 170 114.335 114.335 114.021 0.314 19425 17064 1 20 . 1 1 170 170 SER C C 170 174.387 174.387 173.634 0.753 19425 17065 1 20 . 1 1 170 170 SER CA C 170 56.976 56.976 56.048 0.928 19425 17066 1 20 . 1 1 170 170 SER CB C 170 66.348 66.348 65.698 0.649 19425 17067 1 20 . 1 1 170 170 SER H H 170 8.279 8.279 8.357 -0.078 19425 17068 1 20 . 1 1 171 171 GLU N N 171 121.428 121.428 122.508 -1.080 19425 17069 1 20 . 1 1 171 171 GLU C C 171 173.293 173.293 177.135 -3.842 19425 17070 1 20 . 1 1 171 171 GLU CA C 171 58.658 58.658 56.974 1.684 19425 17071 1 20 . 1 1 171 171 GLU CB C 171 28.693 28.693 28.836 -0.143 19425 17072 1 20 . 1 1 171 171 GLU H H 171 8.540 8.540 8.552 -0.012 19425 17073 1 20 . 1 1 172 172 GLY N N 172 113.162 113.162 114.700 -1.538 19425 17074 1 20 . 1 1 172 172 GLY C C 172 177.504 177.504 174.385 3.119 19425 17075 1 20 . 1 1 172 172 GLY CA C 172 45.452 45.452 44.928 0.524 19425 17076 1 20 . 1 1 172 172 GLY H H 172 8.676 8.676 9.082 -0.406 19425 17077 1 20 . 1 1 173 173 GLU N N 173 119.545 119.545 121.178 -1.633 19425 17078 1 20 . 1 1 173 173 GLU C C 173 173.311 173.311 176.111 -2.800 19425 17079 1 20 . 1 1 173 173 GLU CA C 173 55.689 55.689 56.289 -0.600 19425 17080 1 20 . 1 1 173 173 GLU CB C 173 31.204 31.204 30.895 0.308 19425 17081 1 20 . 1 1 173 173 GLU H H 173 7.805 7.805 7.797 0.008 19425 17082 1 20 . 1 1 174 174 LYS N N 174 120.834 120.834 121.392 -0.558 19425 17083 1 20 . 1 1 174 174 LYS C C 174 175.352 175.352 176.683 -1.331 19425 17084 1 20 . 1 1 174 174 LYS CA C 174 57.207 57.207 56.769 0.438 19425 17085 1 20 . 1 1 174 174 LYS CB C 174 34.185 34.185 32.790 1.395 19425 17086 1 20 . 1 1 174 174 LYS H H 174 8.215 8.215 8.438 -0.223 19425 17087 1 20 . 1 1 175 175 VAL N N 175 122.529 122.529 123.907 -1.378 19425 17088 1 20 . 1 1 175 175 VAL C C 175 176.595 176.595 175.717 0.878 19425 17089 1 20 . 1 1 175 175 VAL CA C 175 63.046 63.046 61.315 1.731 19425 17090 1 20 . 1 1 175 175 VAL CB C 175 31.265 31.265 31.370 -0.105 19425 17091 1 20 . 1 1 175 175 VAL H H 175 7.914 7.914 8.563 -0.649 19425 17092 1 20 . 1 1 176 176 ARG N N 176 127.622 127.622 127.297 0.325 19425 17093 1 20 . 1 1 176 176 ARG C C 176 175.742 175.742 176.725 -0.983 19425 17094 1 20 . 1 1 176 176 ARG CA C 176 55.767 55.767 53.520 2.247 19425 17095 1 20 . 1 1 176 176 ARG CB C 176 30.480 30.480 31.544 -1.064 19425 17096 1 20 . 1 1 176 176 ARG H H 176 7.570 7.570 9.103 -1.533 19425 17097 1 20 . 1 1 177 177 VAL N N 177 122.521 122.521 121.861 0.660 19425 17098 1 20 . 1 1 177 177 VAL C C 177 177.523 177.523 177.406 0.117 19425 17099 1 20 . 1 1 177 177 VAL CA C 177 65.322 65.322 64.022 1.300 19425 17100 1 20 . 1 1 177 177 VAL CB C 177 31.431 31.431 30.415 1.016 19425 17101 1 20 . 1 1 177 177 VAL H H 177 8.276 8.276 7.979 0.297 19425 17102 1 20 . 1 1 179 179 ASP N N 179 122.577 122.577 123.464 -0.887 19425 17103 1 20 . 1 1 179 179 ASP C C 179 174.554 174.554 175.897 -1.343 19425 17104 1 20 . 1 1 179 179 ASP CA C 179 54.687 54.687 55.197 -0.510 19425 17105 1 20 . 1 1 179 179 ASP CB C 179 40.417 40.417 41.424 -1.007 19425 17106 1 20 . 1 1 179 179 ASP H H 179 7.848 7.848 7.930 -0.082 19425 17107 1 20 . 1 1 180 180 ASP N N 180 121.916 121.916 123.886 -1.970 19425 17108 1 20 . 1 1 180 180 ASP C C 180 174.610 174.610 176.075 -1.465 19425 17109 1 20 . 1 1 180 180 ASP CA C 180 54.379 54.379 55.233 -0.854 19425 17110 1 20 . 1 1 180 180 ASP CB C 180 42.178 42.178 40.846 1.332 19425 17111 1 20 . 1 1 180 180 ASP H H 180 8.521 8.521 8.493 0.028 19425 17112 1 20 . 1 1 181 181 LEU N N 181 121.499 121.499 123.343 -1.844 19425 17113 1 20 . 1 1 181 181 LEU C C 181 175.166 175.166 176.763 -1.597 19425 17114 1 20 . 1 1 181 181 LEU CA C 181 54.379 54.379 53.777 0.602 19425 17115 1 20 . 1 1 181 181 LEU CB C 181 45.395 45.395 44.389 1.006 19425 17116 1 20 . 1 1 181 181 LEU H H 181 9.782 9.782 9.025 0.757 19425 17117 1 20 . 1 1 185 185 SER N N 185 122.939 122.939 123.248 -0.309 19425 17118 1 20 . 1 1 185 185 SER C C 185 175.871 175.871 175.128 0.743 19425 17119 1 20 . 1 1 185 185 SER CA C 185 57.514 57.514 58.960 -1.446 19425 17120 1 20 . 1 1 185 185 SER CB C 185 62.772 62.772 63.323 -0.551 19425 17121 1 20 . 1 1 185 185 SER H H 185 9.183 9.183 8.981 0.202 19425 17122 1 20 . 1 1 186 186 VAL N N 186 131.799 131.799 126.510 5.289 19425 17123 1 20 . 1 1 186 186 VAL C C 186 177.226 177.226 176.945 0.281 19425 17124 1 20 . 1 1 186 186 VAL CA C 186 65.883 65.883 65.348 0.535 19425 17125 1 20 . 1 1 186 186 VAL CB C 186 31.190 31.190 31.291 -0.101 19425 17126 1 20 . 1 1 186 186 VAL H H 186 8.285 8.285 8.157 0.128 19425 17127 1 20 . 1 1 187 187 SER N N 187 110.228 110.228 115.235 -5.007 19425 17128 1 20 . 1 1 187 187 SER C C 187 177.077 177.077 175.447 1.630 19425 17129 1 20 . 1 1 187 187 SER CA C 187 60.200 60.200 60.939 -0.739 19425 17130 1 20 . 1 1 187 187 SER CB C 187 62.264 62.264 63.562 -1.298 19425 17131 1 20 . 1 1 187 187 SER H H 187 7.000 7.000 7.841 -0.841 19425 17132 1 20 . 1 1 188 188 SER N N 188 115.022 115.022 116.050 -1.028 19425 17133 1 20 . 1 1 188 188 SER C C 188 176.632 176.632 172.922 3.710 19425 17134 1 20 . 1 1 188 188 SER CA C 188 58.889 58.889 58.058 0.831 19425 17135 1 20 . 1 1 188 188 SER CB C 188 66.818 66.818 63.907 2.910 19425 17136 1 20 . 1 1 188 188 SER H H 188 7.886 7.886 7.434 0.452 19425 17137 1 20 . 1 1 189 189 GLU N N 189 118.477 118.477 118.769 -0.292 19425 17138 1 20 . 1 1 189 189 GLU C C 189 175.000 175.000 174.392 0.608 19425 17139 1 20 . 1 1 189 189 GLU CA C 189 58.562 58.562 57.873 0.689 19425 17140 1 20 . 1 1 189 189 GLU CB C 189 27.420 27.420 27.795 -0.375 19425 17141 1 20 . 1 1 189 189 GLU H H 189 7.929 7.929 8.146 -0.217 19425 17142 1 20 . 1 1 190 190 ARG N N 190 116.828 116.828 116.952 -0.124 19425 17143 1 20 . 1 1 190 190 ARG C C 190 173.868 173.868 176.004 -2.136 19425 17144 1 20 . 1 1 190 190 ARG CA C 190 54.238 54.238 54.491 -0.253 19425 17145 1 20 . 1 1 190 190 ARG CB C 190 32.141 32.141 32.790 -0.649 19425 17146 1 20 . 1 1 190 190 ARG H H 190 6.723 6.723 7.296 -0.573 19425 17147 1 20 . 1 1 191 191 TYR N N 191 118.733 118.733 121.581 -2.848 19425 17148 1 20 . 1 1 191 191 TYR C C 191 174.368 174.368 177.364 -2.996 19425 17149 1 20 . 1 1 191 191 TYR CA C 191 57.405 57.405 58.828 -1.423 19425 17150 1 20 . 1 1 191 191 TYR CB C 191 39.444 39.444 39.424 0.020 19425 17151 1 20 . 1 1 191 191 TYR H H 191 8.912 8.912 8.980 -0.068 19425 17152 1 20 . 1 1 192 192 LEU N N 192 123.460 123.460 124.333 -0.873 19425 17153 1 20 . 1 1 192 192 LEU C C 192 176.753 176.753 176.040 0.713 19425 17154 1 20 . 1 1 192 192 LEU CA C 192 57.061 57.061 54.196 2.865 19425 17155 1 20 . 1 1 192 192 LEU CB C 192 41.351 41.351 40.545 0.806 19425 17156 1 20 . 1 1 192 192 LEU H H 192 8.836 8.836 8.890 -0.054 19425 17157 1 20 . 1 1 193 193 HIS N N 193 134.195 134.195 125.200 8.995 19425 17158 1 20 . 1 1 193 193 HIS C C 193 178.766 178.766 174.437 4.329 19425 17159 1 20 . 1 1 193 193 HIS CA C 193 56.349 56.349 56.107 0.242 19425 17160 1 20 . 1 1 193 193 HIS CB C 193 31.613 31.613 31.778 -0.165 19425 17161 1 20 . 1 1 193 193 HIS H H 193 10.227 10.227 8.924 1.303 19425 17162 1 20 . 1 1 194 194 LEU N N 194 128.500 128.500 127.489 1.011 19425 17163 1 20 . 1 1 194 194 LEU C C 194 170.268 170.268 175.191 -4.923 19425 17164 1 20 . 1 1 194 194 LEU CA C 194 54.139 54.139 53.537 0.602 19425 17165 1 20 . 1 1 194 194 LEU CB C 194 44.036 44.036 43.453 0.583 19425 17166 1 20 . 1 1 194 194 LEU H H 194 7.784 7.784 7.608 0.176 19425 17167 1 20 . 1 1 195 195 SER N N 195 122.195 122.195 122.380 -0.185 19425 17168 1 20 . 1 1 195 195 SER C C 195 174.740 174.740 173.648 1.092 19425 17169 1 20 . 1 1 195 195 SER CA C 195 56.814 56.814 57.020 -0.206 19425 17170 1 20 . 1 1 195 195 SER CB C 195 66.260 66.260 66.068 0.192 19425 17171 1 20 . 1 1 195 195 SER H H 195 9.042 9.042 8.847 0.195 19425 17172 1 20 . 1 1 196 196 TYR N N 196 124.809 124.809 126.196 -1.387 19425 17173 1 20 . 1 1 196 196 TYR C C 196 172.439 172.439 175.751 -3.312 19425 17174 1 20 . 1 1 196 196 TYR CA C 196 57.019 57.019 56.679 0.340 19425 17175 1 20 . 1 1 196 196 TYR CB C 196 39.817 39.817 38.208 1.609 19425 17176 1 20 . 1 1 196 196 TYR H H 196 8.657 8.657 8.877 -0.220 19425 17177 1 20 . 1 1 197 197 GLY N N 197 114.111 114.111 115.113 -1.002 19425 17178 1 20 . 1 1 197 197 GLY C C 197 176.113 176.113 174.281 1.832 19425 17179 1 20 . 1 1 197 197 GLY CA C 197 45.492 45.492 44.077 1.415 19425 17180 1 20 . 1 1 197 197 GLY H H 197 8.030 8.030 8.222 -0.192 19425 17181 1 20 . 1 1 200 200 SER N N 200 113.158 113.158 115.155 -1.997 19425 17182 1 20 . 1 1 200 200 SER C C 200 172.661 172.661 171.647 1.014 19425 17183 1 20 . 1 1 200 200 SER CA C 200 56.890 56.890 56.276 0.613 19425 17184 1 20 . 1 1 200 200 SER CB C 200 65.522 65.522 65.233 0.289 19425 17185 1 20 . 1 1 200 200 SER H H 200 6.893 6.893 7.301 -0.408 19425 17186 1 20 . 1 1 201 201 TRP N N 201 122.521 122.521 119.942 2.579 19425 17187 1 20 . 1 1 201 201 TRP C C 201 171.813 171.813 175.885 -4.072 19425 17188 1 20 . 1 1 201 201 TRP CA C 201 56.990 56.990 56.015 0.975 19425 17189 1 20 . 1 1 201 201 TRP CB C 201 31.501 31.501 32.137 -0.636 19425 17190 1 20 . 1 1 201 201 TRP H H 201 8.243 8.243 8.148 0.095 19425 17191 1 20 . 1 1 202 202 HIS N N 202 121.171 121.171 118.553 2.618 19425 17192 1 20 . 1 1 202 202 HIS C C 202 173.805 173.805 173.659 0.146 19425 17193 1 20 . 1 1 202 202 HIS CA C 202 55.169 55.169 54.597 0.572 19425 17194 1 20 . 1 1 202 202 HIS CB C 202 32.254 32.254 34.555 -2.301 19425 17195 1 20 . 1 1 202 202 HIS H H 202 9.383 9.383 9.414 -0.031 19425 17196 1 20 . 1 1 203 203 VAL N N 203 119.943 119.943 120.796 -0.853 19425 17197 1 20 . 1 1 203 203 VAL C C 203 172.439 172.439 174.103 -1.664 19425 17198 1 20 . 1 1 203 203 VAL CA C 203 58.683 58.683 59.829 -1.146 19425 17199 1 20 . 1 1 203 203 VAL CB C 203 33.957 33.957 34.106 -0.149 19425 17200 1 20 . 1 1 203 203 VAL H H 203 8.649 8.649 8.879 -0.230 19425 17201 1 20 . 1 1 204 204 ASP N N 204 127.907 127.907 127.038 0.869 19425 17202 1 20 . 1 1 204 204 ASP C C 204 173.162 173.162 173.701 -0.539 19425 17203 1 20 . 1 1 204 204 ASP CA C 204 53.545 53.545 52.389 1.156 19425 17204 1 20 . 1 1 204 204 ASP CB C 204 42.169 42.169 44.238 -2.069 19425 17205 1 20 . 1 1 204 204 ASP H H 204 9.822 9.822 8.989 0.833 19425 17206 1 20 . 1 1 205 205 ALA N N 205 121.047 121.047 120.973 0.074 19425 17207 1 20 . 1 1 205 205 ALA C C 205 172.754 172.754 176.164 -3.410 19425 17208 1 20 . 1 1 205 205 ALA CA C 205 50.147 50.147 50.781 -0.634 19425 17209 1 20 . 1 1 205 205 ALA CB C 205 19.642 19.642 19.332 0.310 19425 17210 1 20 . 1 1 205 205 ALA H H 205 9.176 9.176 8.456 0.720 19425 17211 1 20 . 1 1 206 206 ALA N N 206 127.318 127.318 126.364 0.954 19425 17212 1 20 . 1 1 206 206 ALA C C 206 176.465 176.465 175.930 0.535 19425 17213 1 20 . 1 1 206 206 ALA CA C 206 50.609 50.609 50.178 0.430 19425 17214 1 20 . 1 1 206 206 ALA CB C 206 23.819 23.819 21.869 1.950 19425 17215 1 20 . 1 1 206 206 ALA H H 206 9.088 9.088 8.034 1.054 19425 17216 1 20 . 1 1 207 207 PHE N N 207 117.878 117.878 116.556 1.322 19425 17217 1 20 . 1 1 207 207 PHE C C 207 176.576 176.576 175.768 0.808 19425 17218 1 20 . 1 1 207 207 PHE CA C 207 59.714 59.714 58.961 0.753 19425 17219 1 20 . 1 1 207 207 PHE CB C 207 38.239 38.239 38.724 -0.485 19425 17220 1 20 . 1 1 207 207 PHE H H 207 8.953 8.953 8.435 0.518 19425 17221 1 20 . 1 1 208 208 GLN N N 208 117.531 117.531 116.816 0.715 19425 17222 1 20 . 1 1 208 208 GLN C C 208 175.166 175.166 175.600 -0.434 19425 17223 1 20 . 1 1 208 208 GLN CA C 208 55.096 55.096 53.904 1.192 19425 17224 1 20 . 1 1 208 208 GLN CB C 208 30.437 30.437 29.949 0.488 19425 17225 1 20 . 1 1 208 208 GLN H H 208 6.613 6.613 7.718 -1.105 19425 17226 1 20 . 1 1 209 209 GLN N N 209 117.318 117.318 122.062 -4.744 19425 17227 1 20 . 1 1 209 209 GLN C C 209 173.162 173.162 175.660 -2.498 19425 17228 1 20 . 1 1 209 209 GLN CA C 209 56.217 56.217 56.674 -0.457 19425 17229 1 20 . 1 1 209 209 GLN CB C 209 29.912 29.912 29.445 0.467 19425 17230 1 20 . 1 1 209 209 GLN H H 209 8.108 8.108 8.298 -0.190 19425 17231 1 20 . 1 1 210 210 THR N N 210 116.616 116.616 113.878 2.738 19425 17232 1 20 . 1 1 210 210 THR C C 210 176.150 176.150 172.610 3.540 19425 17233 1 20 . 1 1 210 210 THR CA C 210 62.848 62.848 61.922 0.926 19425 17234 1 20 . 1 1 210 210 THR CB C 210 73.244 73.244 70.493 2.751 19425 17235 1 20 . 1 1 210 210 THR H H 210 6.641 6.641 8.251 -1.610 19425 17236 1 20 . 1 1 211 211 LEU N N 211 126.776 126.776 126.868 -0.092 19425 17237 1 20 . 1 1 211 211 LEU C C 211 171.418 171.418 175.591 -4.173 19425 17238 1 20 . 1 1 211 211 LEU CA C 211 55.012 55.012 54.747 0.265 19425 17239 1 20 . 1 1 211 211 LEU CB C 211 41.627 41.627 42.222 -0.595 19425 17240 1 20 . 1 1 211 211 LEU H H 211 8.418 8.418 8.454 -0.036 19425 17241 1 20 . 1 1 212 212 TRP N N 212 124.678 124.678 125.143 -0.465 19425 17242 1 20 . 1 1 212 212 TRP C C 212 175.742 175.742 175.883 -0.141 19425 17243 1 20 . 1 1 212 212 TRP CA C 212 56.052 56.052 55.783 0.269 19425 17244 1 20 . 1 1 212 212 TRP CB C 212 31.169 31.169 33.066 -1.897 19425 17245 1 20 . 1 1 212 212 TRP H H 212 9.462 9.462 9.182 0.280 19425 17246 1 20 . 1 1 213 213 SER N N 213 118.197 118.197 118.122 0.075 19425 17247 1 20 . 1 1 213 213 SER C C 213 175.575 175.575 173.576 1.999 19425 17248 1 20 . 1 1 213 213 SER CA C 213 57.141 57.141 57.870 -0.729 19425 17249 1 20 . 1 1 213 213 SER CB C 213 64.800 64.800 64.248 0.552 19425 17250 1 20 . 1 1 213 213 SER H H 213 9.642 9.642 9.360 0.282 19425 17251 1 20 . 1 1 214 214 VAL N N 214 125.581 125.581 128.021 -2.440 19425 17252 1 20 . 1 1 214 214 VAL C C 214 174.183 174.183 174.691 -0.508 19425 17253 1 20 . 1 1 214 214 VAL CA C 214 61.398 61.398 62.025 -0.627 19425 17254 1 20 . 1 1 214 214 VAL CB C 214 32.502 32.502 31.799 0.703 19425 17255 1 20 . 1 1 214 214 VAL H H 214 8.433 8.433 8.792 -0.359 19425 17256 1 20 . 1 1 215 215 ALA N N 215 130.074 130.074 131.430 -1.356 19425 17257 1 20 . 1 1 215 215 ALA C C 215 174.647 174.647 174.246 0.401 19425 17258 1 20 . 1 1 215 215 ALA CA C 215 49.058 49.058 48.493 0.565 19425 17259 1 20 . 1 1 215 215 ALA CB C 215 20.299 20.299 20.576 -0.277 19425 17260 1 20 . 1 1 215 215 ALA H H 215 8.572 8.572 8.398 0.174 19425 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 175 3.044 -0.127 3.050 19425 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 19425 3 1 1 "Average Difference" C 175 1.956 -0.021 1.962 19425 4 1 1 "Average Difference" CA 175 1.093 -0.175 1.082 19425 5 1 1 "Average Difference" CB 163 1.259 -0.170 1.251 19425 6 1 1 "Average Difference" HN 175 0.481 -0.017 0.482 19425 7 1 2 "Average Difference" N 175 3.015 -0.035 3.023 19425 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 19425 9 1 2 "Average Difference" C 175 1.969 -0.013 1.975 19425 10 1 2 "Average Difference" CA 175 1.122 -0.115 1.119 19425 11 1 2 "Average Difference" CB 163 1.282 -0.186 1.272 19425 12 1 2 "Average Difference" HN 175 0.484 -0.037 0.484 19425 13 1 3 "Average Difference" N 175 3.073 -0.088 3.081 19425 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 19425 15 1 3 "Average Difference" C 175 1.983 -0.054 1.988 19425 16 1 3 "Average Difference" CA 175 1.152 -0.179 1.141 19425 17 1 3 "Average Difference" CB 163 1.319 -0.111 1.318 19425 18 1 3 "Average Difference" HN 175 0.488 -0.029 0.489 19425 19 1 4 "Average Difference" N 175 2.923 0.091 2.930 19425 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 19425 21 1 4 "Average Difference" C 175 2.005 -0.068 2.010 19425 22 1 4 "Average Difference" CA 175 1.078 -0.149 1.071 19425 23 1 4 "Average Difference" CB 163 1.266 -0.070 1.267 19425 24 1 4 "Average Difference" HN 175 0.482 -0.026 0.482 19425 25 1 5 "Average Difference" N 175 3.100 -0.062 3.108 19425 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 19425 27 1 5 "Average Difference" C 175 1.998 0.019 2.003 19425 28 1 5 "Average Difference" CA 175 1.120 -0.125 1.116 19425 29 1 5 "Average Difference" CB 163 1.307 -0.113 1.307 19425 30 1 5 "Average Difference" HN 175 0.495 -0.018 0.496 19425 31 1 6 "Average Difference" N 175 2.967 0.140 2.973 19425 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 19425 33 1 6 "Average Difference" C 175 1.983 -0.007 1.988 19425 34 1 6 "Average Difference" CA 175 1.032 -0.181 1.019 19425 35 1 6 "Average Difference" CB 163 1.285 -0.147 1.280 19425 36 1 6 "Average Difference" HN 175 0.504 -0.030 0.505 19425 37 1 7 "Average Difference" N 175 2.974 -0.135 2.979 19425 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 19425 39 1 7 "Average Difference" C 175 2.017 -0.078 2.021 19425 40 1 7 "Average Difference" CA 175 1.085 -0.163 1.076 19425 41 1 7 "Average Difference" CB 163 1.273 -0.096 1.273 19425 42 1 7 "Average Difference" HN 175 0.475 -0.015 0.476 19425 43 1 8 "Average Difference" N 175 3.028 0.042 3.037 19425 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 19425 45 1 8 "Average Difference" C 175 1.974 -0.052 1.979 19425 46 1 8 "Average Difference" CA 175 1.024 -0.173 1.013 19425 47 1 8 "Average Difference" CB 163 1.246 -0.109 1.245 19425 48 1 8 "Average Difference" HN 175 0.478 -0.035 0.478 19425 49 1 9 "Average Difference" N 175 2.926 0.014 2.934 19425 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 19425 51 1 9 "Average Difference" C 175 1.968 -0.004 1.974 19425 52 1 9 "Average Difference" CA 175 1.036 -0.141 1.029 19425 53 1 9 "Average Difference" CB 163 1.284 -0.061 1.287 19425 54 1 9 "Average Difference" HN 175 0.484 -0.012 0.486 19425 55 1 10 "Average Difference" N 175 3.025 0.012 3.033 19425 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 19425 57 1 10 "Average Difference" C 175 1.989 -0.048 1.994 19425 58 1 10 "Average Difference" CA 175 1.077 -0.159 1.068 19425 59 1 10 "Average Difference" CB 163 1.264 -0.087 1.265 19425 60 1 10 "Average Difference" HN 175 0.478 -0.024 0.479 19425 61 1 11 "Average Difference" N 175 3.246 -0.106 3.254 19425 62 1 11 "Average Difference" HA 0 0.000 0.000 0.000 19425 63 1 11 "Average Difference" C 175 2.015 -0.027 2.021 19425 64 1 11 "Average Difference" CA 175 1.079 -0.101 1.077 19425 65 1 11 "Average Difference" CB 163 1.250 -0.103 1.250 19425 66 1 11 "Average Difference" HN 175 0.493 -0.031 0.493 19425 67 1 12 "Average Difference" N 175 3.060 0.169 3.064 19425 68 1 12 "Average Difference" HA 0 0.000 0.000 0.000 19425 69 1 12 "Average Difference" C 175 2.018 -0.026 2.023 19425 70 1 12 "Average Difference" CA 175 1.045 -0.158 1.036 19425 71 1 12 "Average Difference" CB 163 1.281 -0.095 1.281 19425 72 1 12 "Average Difference" HN 175 0.478 -0.023 0.479 19425 73 1 13 "Average Difference" N 175 2.924 -0.187 2.926 19425 74 1 13 "Average Difference" HA 0 0.000 0.000 0.000 19425 75 1 13 "Average Difference" C 175 2.008 -0.058 2.013 19425 76 1 13 "Average Difference" CA 175 1.048 -0.157 1.039 19425 77 1 13 "Average Difference" CB 163 1.328 -0.131 1.326 19425 78 1 13 "Average Difference" HN 175 0.472 -0.037 0.472 19425 79 1 14 "Average Difference" N 175 3.124 0.021 3.133 19425 80 1 14 "Average Difference" HA 0 0.000 0.000 0.000 19425 81 1 14 "Average Difference" C 175 1.974 -0.051 1.979 19425 82 1 14 "Average Difference" CA 175 1.031 -0.144 1.023 19425 83 1 14 "Average Difference" CB 163 1.253 -0.110 1.252 19425 84 1 14 "Average Difference" HN 175 0.491 -0.024 0.492 19425 85 1 15 "Average Difference" N 175 3.111 0.121 3.117 19425 86 1 15 "Average Difference" HA 0 0.000 0.000 0.000 19425 87 1 15 "Average Difference" C 175 2.003 -0.051 2.008 19425 88 1 15 "Average Difference" CA 175 1.123 -0.171 1.113 19425 89 1 15 "Average Difference" CB 163 1.290 -0.136 1.287 19425 90 1 15 "Average Difference" HN 175 0.494 -0.037 0.494 19425 91 1 16 "Average Difference" N 175 3.074 0.058 3.082 19425 92 1 16 "Average Difference" HA 0 0.000 0.000 0.000 19425 93 1 16 "Average Difference" C 175 2.005 -0.024 2.010 19425 94 1 16 "Average Difference" CA 175 1.114 -0.117 1.111 19425 95 1 16 "Average Difference" CB 163 1.304 -0.076 1.306 19425 96 1 16 "Average Difference" HN 175 0.484 -0.024 0.485 19425 97 1 17 "Average Difference" N 175 3.053 -0.029 3.061 19425 98 1 17 "Average Difference" HA 0 0.000 0.000 0.000 19425 99 1 17 "Average Difference" C 175 2.004 -0.018 2.010 19425 100 1 17 "Average Difference" CA 175 1.053 -0.217 1.033 19425 101 1 17 "Average Difference" CB 163 1.332 -0.046 1.335 19425 102 1 17 "Average Difference" HN 175 0.483 -0.029 0.483 19425 103 1 18 "Average Difference" N 175 2.892 0.244 2.890 19425 104 1 18 "Average Difference" HA 0 0.000 0.000 0.000 19425 105 1 18 "Average Difference" C 175 1.976 -0.019 1.982 19425 106 1 18 "Average Difference" CA 175 1.085 -0.158 1.076 19425 107 1 18 "Average Difference" CB 163 1.277 -0.100 1.277 19425 108 1 18 "Average Difference" HN 175 0.515 -0.011 0.516 19425 109 1 19 "Average Difference" N 175 3.056 -0.079 3.064 19425 110 1 19 "Average Difference" HA 0 0.000 0.000 0.000 19425 111 1 19 "Average Difference" C 175 1.985 0.012 1.990 19425 112 1 19 "Average Difference" CA 175 1.133 -0.186 1.121 19425 113 1 19 "Average Difference" CB 163 1.256 -0.155 1.250 19425 114 1 19 "Average Difference" HN 175 0.474 -0.039 0.474 19425 115 1 20 "Average Difference" N 175 3.047 -0.102 3.054 19425 116 1 20 "Average Difference" HA 0 0.000 0.000 0.000 19425 117 1 20 "Average Difference" C 175 2.002 -0.033 2.007 19425 118 1 20 "Average Difference" CA 175 1.096 -0.135 1.091 19425 119 1 20 "Average Difference" CB 163 1.295 -0.144 1.291 19425 120 1 20 "Average Difference" HN 175 0.489 -0.029 0.490 19425 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 19425 _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 13 13 PHE N N 13 122.001 122.001 120.962 1.039 19425 2 1 . 1 1 13 13 PHE C C 13 174.608 174.608 175.831 -1.223 19425 3 1 . 1 1 13 13 PHE CA C 13 56.445 56.445 55.876 0.569 19425 4 1 . 1 1 13 13 PHE CB C 13 41.650 41.650 41.995 -0.345 19425 5 1 . 1 1 13 13 PHE H H 13 8.209 8.209 8.244 -0.035 19425 6 1 . 1 1 14 14 LEU N N 14 122.475 122.475 123.614 -1.139 19425 7 1 . 1 1 14 14 LEU C C 14 175.630 175.630 176.013 -0.383 19425 8 1 . 1 1 14 14 LEU CA C 14 55.024 55.024 54.946 0.078 19425 9 1 . 1 1 14 14 LEU CB C 14 43.987 43.987 42.049 1.938 19425 10 1 . 1 1 14 14 LEU H H 14 8.264 8.264 8.981 -0.717 19425 11 1 . 1 1 15 15 ARG N N 15 121.510 121.510 122.597 -1.087 19425 12 1 . 1 1 15 15 ARG C C 15 175.630 175.630 177.229 -1.599 19425 13 1 . 1 1 15 15 ARG CA C 15 54.007 54.007 52.705 1.302 19425 14 1 . 1 1 15 15 ARG CB C 15 34.536 34.536 32.805 1.731 19425 15 1 . 1 1 15 15 ARG H H 15 8.653 8.653 8.216 0.437 19425 16 1 . 1 1 16 16 THR N N 16 110.840 110.840 113.420 -2.580 19425 17 1 . 1 1 16 16 THR C C 16 175.946 175.946 175.288 0.658 19425 18 1 . 1 1 16 16 THR CA C 16 62.950 62.950 62.938 0.012 19425 19 1 . 1 1 16 16 THR CB C 16 69.276 69.276 69.513 -0.237 19425 20 1 . 1 1 16 16 THR H H 16 8.815 8.815 8.542 0.273 19425 21 1 . 1 1 17 17 ASP N N 17 114.036 114.036 118.194 -4.158 19425 22 1 . 1 1 17 17 ASP C C 17 175.686 175.686 175.112 0.574 19425 23 1 . 1 1 17 17 ASP CA C 17 57.735 57.735 56.561 1.175 19425 24 1 . 1 1 17 17 ASP CB C 17 39.928 39.928 40.276 -0.348 19425 25 1 . 1 1 17 17 ASP H H 17 9.241 9.241 8.858 0.383 19425 26 1 . 1 1 18 18 ASP N N 18 122.062 122.062 121.342 0.720 19425 27 1 . 1 1 18 18 ASP C C 18 175.946 175.946 175.865 0.081 19425 28 1 . 1 1 18 18 ASP CA C 18 56.214 56.214 54.911 1.303 19425 29 1 . 1 1 18 18 ASP CB C 18 40.985 40.985 41.457 -0.472 19425 30 1 . 1 1 18 18 ASP H H 18 8.035 8.035 7.599 0.436 19425 31 1 . 1 1 19 19 GLU N N 19 122.006 122.006 123.849 -1.843 19425 32 1 . 1 1 19 19 GLU C C 19 175.055 175.055 176.238 -1.183 19425 33 1 . 1 1 19 19 GLU CA C 19 55.262 55.262 56.469 -1.207 19425 34 1 . 1 1 19 19 GLU CB C 19 30.712 30.712 30.430 0.282 19425 35 1 . 1 1 19 19 GLU H H 19 8.274 8.274 8.612 -0.338 19425 36 1 . 1 1 20 20 VAL N N 20 118.214 118.214 121.189 -2.975 19425 37 1 . 1 1 20 20 VAL C C 20 176.855 176.855 173.734 3.121 19425 38 1 . 1 1 20 20 VAL CA C 20 59.054 59.054 58.948 0.106 19425 39 1 . 1 1 20 20 VAL CB C 20 36.780 36.780 36.289 0.491 19425 40 1 . 1 1 20 20 VAL H H 20 9.779 9.779 9.174 0.605 19425 41 1 . 1 1 21 21 VAL N N 21 115.443 115.443 115.008 0.435 19425 42 1 . 1 1 21 21 VAL C C 21 173.830 173.830 174.146 -0.316 19425 43 1 . 1 1 21 21 VAL CA C 21 60.308 60.308 59.581 0.726 19425 44 1 . 1 1 21 21 VAL CB C 21 34.625 34.625 35.132 -0.507 19425 45 1 . 1 1 21 21 VAL H H 21 8.167 8.167 8.461 -0.294 19425 46 1 . 1 1 22 22 LEU N N 22 128.072 128.072 127.578 0.494 19425 47 1 . 1 1 22 22 LEU C C 22 174.858 174.858 176.027 -1.169 19425 48 1 . 1 1 22 22 LEU CA C 22 55.656 55.656 54.277 1.379 19425 49 1 . 1 1 22 22 LEU CB C 22 42.545 42.545 42.193 0.352 19425 50 1 . 1 1 22 22 LEU H H 22 10.103 10.103 8.891 1.212 19425 51 1 . 1 1 23 23 GLN N N 23 120.609 120.609 123.127 -2.518 19425 52 1 . 1 1 23 23 GLN C C 23 175.500 175.500 175.136 0.364 19425 53 1 . 1 1 23 23 GLN CA C 23 53.710 53.710 54.177 -0.467 19425 54 1 . 1 1 23 23 GLN CB C 23 33.697 33.697 33.309 0.388 19425 55 1 . 1 1 23 23 GLN H H 23 9.119 9.119 8.712 0.407 19425 56 1 . 1 1 24 24 CYS N N 24 118.659 118.659 118.956 -0.297 19425 57 1 . 1 1 24 24 CYS C C 24 174.443 174.443 173.647 0.796 19425 58 1 . 1 1 24 24 CYS CA C 24 55.261 55.261 56.049 -0.788 19425 59 1 . 1 1 24 24 CYS CB C 24 30.302 30.302 30.678 -0.376 19425 60 1 . 1 1 24 24 CYS H H 24 8.993 8.993 9.121 -0.128 19425 61 1 . 1 1 25 25 THR N N 25 116.266 116.266 120.659 -4.393 19425 62 1 . 1 1 25 25 THR C C 25 172.457 172.457 173.734 -1.277 19425 63 1 . 1 1 25 25 THR CA C 25 61.858 61.858 63.045 -1.187 19425 64 1 . 1 1 25 25 THR CB C 25 70.271 70.271 69.011 1.260 19425 65 1 . 1 1 25 25 THR H H 25 8.480 8.480 8.594 -0.114 19425 66 1 . 1 1 26 26 ALA N N 26 129.739 129.739 131.249 -1.510 19425 67 1 . 1 1 26 26 ALA C C 26 172.717 172.717 175.180 -2.463 19425 68 1 . 1 1 26 26 ALA CA C 26 50.642 50.642 50.058 0.584 19425 69 1 . 1 1 26 26 ALA CB C 26 21.315 21.315 19.821 1.494 19425 70 1 . 1 1 26 26 ALA H H 26 8.590 8.590 8.641 -0.051 19425 71 1 . 1 1 27 27 THR N N 27 116.574 116.574 118.768 -2.194 19425 72 1 . 1 1 27 27 THR C C 27 173.181 173.181 173.804 -0.623 19425 73 1 . 1 1 27 27 THR CA C 27 61.919 61.919 61.357 0.562 19425 74 1 . 1 1 27 27 THR CB C 27 69.696 69.696 70.780 -1.084 19425 75 1 . 1 1 27 27 THR H H 27 8.110 8.110 8.258 -0.148 19425 76 1 . 1 1 28 28 ILE N N 28 126.342 126.342 125.099 1.243 19425 77 1 . 1 1 28 28 ILE C C 28 173.793 173.793 174.502 -0.709 19425 78 1 . 1 1 28 28 ILE CA C 28 60.407 60.407 61.418 -1.011 19425 79 1 . 1 1 28 28 ILE CB C 28 39.536 39.536 40.360 -0.824 19425 80 1 . 1 1 28 28 ILE H H 28 8.483 8.483 8.791 -0.308 19425 81 1 . 1 1 29 29 HIS N N 29 126.364 126.364 124.856 1.508 19425 82 1 . 1 1 29 29 HIS C C 29 175.259 175.259 174.213 1.046 19425 83 1 . 1 1 29 29 HIS CA C 29 57.174 57.174 57.095 0.079 19425 84 1 . 1 1 29 29 HIS CB C 29 28.029 28.029 28.152 -0.123 19425 85 1 . 1 1 29 29 HIS H H 29 9.110 9.110 8.455 0.655 19425 86 1 . 1 1 31 31 GLU N N 31 120.962 120.962 119.275 1.687 19425 87 1 . 1 1 31 31 GLU C C 31 175.575 175.575 174.321 1.254 19425 88 1 . 1 1 31 31 GLU CA C 31 55.394 55.394 55.360 0.034 19425 89 1 . 1 1 31 31 GLU CB C 31 31.576 31.576 32.639 -1.063 19425 90 1 . 1 1 31 31 GLU H H 31 8.047 8.047 7.738 0.309 19425 91 1 . 1 1 32 32 GLN N N 32 123.171 123.171 125.309 -2.138 19425 92 1 . 1 1 32 32 GLN C C 32 175.185 175.185 174.602 0.583 19425 93 1 . 1 1 32 32 GLN CA C 32 54.496 54.496 54.506 -0.010 19425 94 1 . 1 1 32 32 GLN CB C 32 30.054 30.054 31.642 -1.588 19425 95 1 . 1 1 32 32 GLN H H 32 8.646 8.646 8.704 -0.058 19425 96 1 . 1 1 33 33 GLN N N 33 123.530 123.530 120.523 3.007 19425 97 1 . 1 1 33 33 GLN C C 33 175.667 175.667 173.500 2.167 19425 98 1 . 1 1 33 33 GLN CA C 33 54.616 54.616 54.643 -0.027 19425 99 1 . 1 1 33 33 GLN CB C 33 31.748 31.748 32.433 -0.685 19425 100 1 . 1 1 33 33 GLN H H 33 8.839 8.839 8.781 0.058 19425 101 1 . 1 1 34 34 LYS N N 34 124.601 124.601 120.622 3.979 19425 102 1 . 1 1 34 34 LYS C C 34 173.812 173.812 175.055 -1.243 19425 103 1 . 1 1 34 34 LYS CA C 34 55.755 55.755 55.178 0.577 19425 104 1 . 1 1 34 34 LYS CB C 34 32.712 32.712 35.572 -2.860 19425 105 1 . 1 1 34 34 LYS H H 34 8.589 8.589 8.454 0.135 19425 106 1 . 1 1 35 35 LEU N N 35 126.071 126.071 122.764 3.307 19425 107 1 . 1 1 35 35 LEU C C 35 175.445 175.445 175.624 -0.179 19425 108 1 . 1 1 35 35 LEU CA C 35 53.347 53.347 52.948 0.399 19425 109 1 . 1 1 35 35 LEU CB C 35 44.943 44.943 46.046 -1.103 19425 110 1 . 1 1 35 35 LEU H H 35 8.794 8.794 8.447 0.347 19425 111 1 . 1 1 36 36 CYS N N 36 118.373 118.373 120.409 -2.036 19425 112 1 . 1 1 36 36 CYS C C 36 176.057 176.057 174.890 1.167 19425 113 1 . 1 1 36 36 CYS CA C 36 57.174 57.174 56.114 1.060 19425 114 1 . 1 1 36 36 CYS CB C 36 30.306 30.306 29.343 0.963 19425 115 1 . 1 1 36 36 CYS H H 36 9.042 9.042 8.839 0.203 19425 116 1 . 1 1 37 37 LEU N N 37 129.256 129.256 127.719 1.537 19425 117 1 . 1 1 37 37 LEU C C 37 174.090 174.090 175.130 -1.040 19425 118 1 . 1 1 37 37 LEU CA C 37 56.349 56.349 55.479 0.869 19425 119 1 . 1 1 37 37 LEU CB C 37 42.689 42.689 42.164 0.525 19425 120 1 . 1 1 37 37 LEU H H 37 8.811 8.811 8.884 -0.073 19425 121 1 . 1 1 38 38 ALA N N 38 127.229 127.229 128.468 -1.239 19425 122 1 . 1 1 38 38 ALA C C 38 174.517 174.517 175.143 -0.626 19425 123 1 . 1 1 38 38 ALA CA C 38 50.609 50.609 49.448 1.161 19425 124 1 . 1 1 38 38 ALA CB C 38 24.141 24.141 22.218 1.923 19425 125 1 . 1 1 38 38 ALA H H 38 8.879 8.879 8.605 0.274 19425 126 1 . 1 1 39 39 ALA N N 39 117.076 117.076 120.124 -3.048 19425 127 1 . 1 1 39 39 ALA C C 39 174.665 174.665 174.707 -0.042 19425 128 1 . 1 1 39 39 ALA CA C 39 51.500 51.500 51.673 -0.173 19425 129 1 . 1 1 39 39 ALA CB C 39 20.996 20.996 21.489 -0.493 19425 130 1 . 1 1 39 39 ALA H H 39 6.837 6.837 7.709 -0.872 19425 131 1 . 1 1 40 40 GLU N N 40 119.966 119.966 118.433 1.533 19425 132 1 . 1 1 40 40 GLU C C 40 176.205 176.205 176.084 0.121 19425 133 1 . 1 1 40 40 GLU CA C 40 55.950 55.950 54.760 1.190 19425 134 1 . 1 1 40 40 GLU CB C 40 31.836 31.836 32.427 -0.591 19425 135 1 . 1 1 40 40 GLU H H 40 8.413 8.413 8.590 -0.177 19425 136 1 . 1 1 41 41 GLY N N 41 108.646 108.646 108.244 0.402 19425 137 1 . 1 1 41 41 GLY C C 41 176.892 176.892 173.648 3.244 19425 138 1 . 1 1 41 41 GLY CA C 41 45.628 45.628 45.276 0.352 19425 139 1 . 1 1 41 41 GLY H H 41 8.463 8.463 8.854 -0.391 19425 140 1 . 1 1 43 43 GLY N N 43 109.557 109.557 112.036 -2.479 19425 141 1 . 1 1 43 43 GLY C C 43 176.465 176.465 174.554 1.911 19425 142 1 . 1 1 43 43 GLY CA C 43 45.397 45.397 45.626 -0.229 19425 143 1 . 1 1 43 43 GLY H H 43 8.510 8.510 8.217 0.293 19425 144 1 . 1 1 44 44 ASN N N 44 116.850 116.850 122.359 -5.508 19425 145 1 . 1 1 44 44 ASN C C 44 173.830 173.830 175.309 -1.478 19425 146 1 . 1 1 44 44 ASN CA C 44 54.184 54.184 52.610 1.574 19425 147 1 . 1 1 44 44 ASN CB C 44 38.252 38.252 38.014 0.238 19425 148 1 . 1 1 44 44 ASN H H 44 8.028 8.028 8.663 -0.635 19425 149 1 . 1 1 45 45 ARG N N 45 118.226 118.226 115.263 2.963 19425 150 1 . 1 1 45 45 ARG C C 45 174.072 174.072 174.438 -0.366 19425 151 1 . 1 1 45 45 ARG CA C 45 56.077 56.077 57.204 -1.127 19425 152 1 . 1 1 45 45 ARG CB C 45 31.231 31.231 27.249 3.982 19425 153 1 . 1 1 45 45 ARG H H 45 7.759 7.759 7.489 0.270 19425 154 1 . 1 1 46 46 LEU N N 46 124.643 124.643 118.982 5.661 19425 155 1 . 1 1 46 46 LEU C C 46 176.447 176.447 177.096 -0.649 19425 156 1 . 1 1 46 46 LEU CA C 46 54.667 54.667 54.229 0.438 19425 157 1 . 1 1 46 46 LEU CB C 46 42.605 42.605 42.943 -0.339 19425 158 1 . 1 1 46 46 LEU H H 46 8.695 8.695 7.787 0.908 19425 159 1 . 1 1 47 47 CYS N N 47 119.241 119.241 120.644 -1.403 19425 160 1 . 1 1 47 47 CYS C C 47 176.651 176.651 174.907 1.744 19425 161 1 . 1 1 47 47 CYS CA C 47 55.885 55.885 59.544 -3.659 19425 162 1 . 1 1 47 47 CYS CB C 47 31.112 31.112 27.421 3.691 19425 163 1 . 1 1 47 47 CYS H H 47 9.007 9.007 8.534 0.473 19425 164 1 . 1 1 48 48 PHE N N 48 114.081 114.081 118.466 -4.385 19425 165 1 . 1 1 48 48 PHE C C 48 170.342 170.342 173.057 -2.715 19425 166 1 . 1 1 48 48 PHE CA C 48 57.405 57.405 55.818 1.586 19425 167 1 . 1 1 48 48 PHE CB C 48 43.263 43.263 40.226 3.037 19425 168 1 . 1 1 48 48 PHE H H 48 8.647 8.647 8.504 0.143 19425 169 1 . 1 1 49 49 LEU N N 49 122.287 122.287 119.148 3.139 19425 170 1 . 1 1 49 49 LEU C C 49 176.236 176.236 176.178 0.058 19425 171 1 . 1 1 49 49 LEU CA C 49 53.285 53.285 53.773 -0.488 19425 172 1 . 1 1 49 49 LEU CB C 49 42.907 42.907 45.612 -2.705 19425 173 1 . 1 1 49 49 LEU H H 49 9.108 9.108 8.838 0.270 19425 174 1 . 1 1 50 50 GLU N N 50 123.206 123.206 122.435 0.771 19425 175 1 . 1 1 50 50 GLU C C 50 177.671 177.671 175.346 2.325 19425 176 1 . 1 1 50 50 GLU CA C 50 57.084 57.084 54.710 2.374 19425 177 1 . 1 1 50 50 GLU CB C 50 30.123 30.123 33.134 -3.011 19425 178 1 . 1 1 50 50 GLU H H 50 8.834 8.834 8.640 0.194 19425 179 1 . 1 1 51 51 SER N N 51 118.500 118.500 120.494 -1.994 19425 180 1 . 1 1 51 51 SER C C 51 176.706 176.706 174.918 1.788 19425 181 1 . 1 1 51 51 SER CA C 51 58.560 58.560 58.381 0.180 19425 182 1 . 1 1 51 51 SER CB C 51 63.979 63.979 64.084 -0.105 19425 183 1 . 1 1 51 51 SER H H 51 8.461 8.461 8.839 -0.378 19425 184 1 . 1 1 52 52 THR N N 52 116.205 116.205 116.755 -0.550 19425 185 1 . 1 1 52 52 THR C C 52 174.808 174.808 174.910 -0.102 19425 186 1 . 1 1 52 52 THR CA C 52 61.891 61.891 60.284 1.607 19425 187 1 . 1 1 52 52 THR CB C 52 70.076 70.076 70.758 -0.682 19425 188 1 . 1 1 52 52 THR H H 52 8.199 8.199 8.256 -0.057 19425 189 1 . 1 1 65 65 CYS N N 65 117.553 117.553 119.927 -2.374 19425 190 1 . 1 1 65 65 CYS C C 65 176.948 176.948 174.248 2.700 19425 191 1 . 1 1 65 65 CYS CA C 65 57.900 57.900 56.788 1.112 19425 192 1 . 1 1 65 65 CYS CB C 65 30.290 30.290 26.757 3.533 19425 193 1 . 1 1 65 65 CYS H H 65 7.539 7.539 7.645 -0.106 19425 194 1 . 1 1 66 66 THR N N 66 113.614 113.614 118.809 -5.195 19425 195 1 . 1 1 66 66 THR C C 66 180.325 180.325 173.412 6.913 19425 196 1 . 1 1 66 66 THR CA C 66 63.399 63.399 63.631 -0.232 19425 197 1 . 1 1 66 66 THR CB C 66 69.281 69.281 69.197 0.084 19425 198 1 . 1 1 66 66 THR H H 66 6.851 6.851 7.256 -0.405 19425 199 1 . 1 1 67 67 PHE N N 67 126.248 126.248 125.465 0.783 19425 200 1 . 1 1 67 67 PHE C C 67 174.424 174.424 174.082 0.342 19425 201 1 . 1 1 67 67 PHE CA C 67 56.184 56.184 56.742 -0.558 19425 202 1 . 1 1 67 67 PHE CB C 67 43.291 43.291 44.286 -0.995 19425 203 1 . 1 1 67 67 PHE H H 67 9.603 9.603 9.353 0.250 19425 204 1 . 1 1 68 68 VAL N N 68 121.310 121.310 119.032 2.278 19425 205 1 . 1 1 68 68 VAL C C 68 173.719 173.719 175.563 -1.844 19425 206 1 . 1 1 68 68 VAL CA C 68 60.935 60.935 60.786 0.149 19425 207 1 . 1 1 68 68 VAL CB C 68 34.522 34.522 34.242 0.280 19425 208 1 . 1 1 68 68 VAL H H 68 9.968 9.968 8.649 1.319 19425 209 1 . 1 1 69 69 LEU N N 69 127.011 127.011 128.735 -1.724 19425 210 1 . 1 1 69 69 LEU C C 69 177.152 177.152 177.944 -0.792 19425 211 1 . 1 1 69 69 LEU CA C 69 53.083 53.083 54.539 -1.456 19425 212 1 . 1 1 69 69 LEU CB C 69 39.652 39.652 39.338 0.314 19425 213 1 . 1 1 69 69 LEU H H 69 8.135 8.135 8.646 -0.511 19425 214 1 . 1 1 70 70 GLU N N 70 129.683 129.683 121.829 7.854 19425 215 1 . 1 1 70 70 GLU C C 70 174.869 174.869 176.919 -2.050 19425 216 1 . 1 1 70 70 GLU CA C 70 59.747 59.747 59.207 0.540 19425 217 1 . 1 1 70 70 GLU CB C 70 31.291 31.291 29.906 1.385 19425 218 1 . 1 1 70 70 GLU H H 70 8.654 8.654 8.354 0.300 19425 219 1 . 1 1 71 71 GLN N N 71 110.287 110.287 117.069 -6.782 19425 220 1 . 1 1 71 71 GLN C C 71 176.094 176.094 175.008 1.086 19425 221 1 . 1 1 71 71 GLN CA C 71 54.030 54.030 54.511 -0.482 19425 222 1 . 1 1 71 71 GLN CB C 71 33.112 33.112 32.730 0.382 19425 223 1 . 1 1 71 71 GLN H H 71 7.318 7.318 7.629 -0.311 19425 224 1 . 1 1 72 72 SER N N 72 116.205 116.205 116.970 -0.765 19425 225 1 . 1 1 72 72 SER C C 72 174.035 174.035 173.436 0.599 19425 226 1 . 1 1 72 72 SER CA C 72 58.132 58.132 58.385 -0.253 19425 227 1 . 1 1 72 72 SER CB C 72 64.295 64.295 63.504 0.791 19425 228 1 . 1 1 72 72 SER H H 72 8.380 8.380 8.748 -0.368 19425 229 1 . 1 1 73 73 LEU N N 73 127.858 127.858 124.922 2.936 19425 230 1 . 1 1 73 73 LEU C C 73 173.701 173.701 175.720 -2.019 19425 231 1 . 1 1 73 73 LEU CA C 73 53.347 53.347 53.272 0.075 19425 232 1 . 1 1 73 73 LEU CB C 73 45.926 45.926 45.111 0.815 19425 233 1 . 1 1 73 73 LEU H H 73 9.532 9.532 8.863 0.669 19425 234 1 . 1 1 74 74 SER N N 74 115.724 115.724 114.717 1.007 19425 235 1 . 1 1 74 74 SER C C 74 177.541 177.541 175.905 1.636 19425 236 1 . 1 1 74 74 SER CA C 74 57.905 57.905 57.779 0.126 19425 237 1 . 1 1 74 74 SER CB C 74 63.901 63.901 63.593 0.308 19425 238 1 . 1 1 74 74 SER H H 74 8.240 8.240 8.139 0.101 19425 239 1 . 1 1 75 75 VAL N N 75 122.994 122.994 126.375 -3.381 19425 240 1 . 1 1 75 75 VAL C C 75 174.610 174.610 177.460 -2.850 19425 241 1 . 1 1 75 75 VAL CA C 75 67.104 67.104 67.037 0.067 19425 242 1 . 1 1 75 75 VAL CB C 75 30.953 30.953 31.369 -0.416 19425 243 1 . 1 1 75 75 VAL H H 75 9.056 9.056 8.906 0.150 19425 244 1 . 1 1 76 76 ARG N N 76 119.193 119.193 120.328 -1.135 19425 245 1 . 1 1 76 76 ARG C C 76 178.228 178.228 178.121 0.107 19425 246 1 . 1 1 76 76 ARG CA C 76 59.087 59.087 59.775 -0.688 19425 247 1 . 1 1 76 76 ARG CB C 76 29.280 29.280 29.764 -0.483 19425 248 1 . 1 1 76 76 ARG H H 76 8.137 8.137 7.878 0.259 19425 249 1 . 1 1 77 77 ALA N N 77 122.977 122.977 120.794 2.183 19425 250 1 . 1 1 77 77 ALA C C 77 178.506 178.506 179.712 -1.206 19425 251 1 . 1 1 77 77 ALA CA C 77 54.926 54.926 54.720 0.206 19425 252 1 . 1 1 77 77 ALA CB C 77 18.231 18.231 18.085 0.146 19425 253 1 . 1 1 77 77 ALA H H 77 7.699 7.699 7.894 -0.195 19425 254 1 . 1 1 78 78 LEU N N 78 121.115 121.115 120.123 0.992 19425 255 1 . 1 1 78 78 LEU C C 78 180.640 180.640 178.400 2.240 19425 256 1 . 1 1 78 78 LEU CA C 78 57.985 57.985 57.358 0.627 19425 257 1 . 1 1 78 78 LEU CB C 78 40.522 40.522 41.276 -0.754 19425 258 1 . 1 1 78 78 LEU H H 78 8.303 8.303 8.266 0.037 19425 259 1 . 1 1 79 79 GLN N N 79 116.873 116.873 117.380 -0.507 19425 260 1 . 1 1 79 79 GLN C C 79 177.875 177.875 178.389 -0.514 19425 261 1 . 1 1 79 79 GLN CA C 79 59.069 59.069 59.098 -0.029 19425 262 1 . 1 1 79 79 GLN CB C 79 27.254 27.254 28.361 -1.107 19425 263 1 . 1 1 79 79 GLN H H 79 8.390 8.390 8.231 0.159 19425 264 1 . 1 1 80 80 GLU N N 80 120.455 120.455 120.891 -0.436 19425 265 1 . 1 1 80 80 GLU C C 80 179.749 179.749 178.768 0.981 19425 266 1 . 1 1 80 80 GLU CA C 80 59.413 59.413 59.152 0.261 19425 267 1 . 1 1 80 80 GLU CB C 80 29.142 29.142 29.351 -0.209 19425 268 1 . 1 1 80 80 GLU H H 80 7.942 7.942 7.933 0.009 19425 269 1 . 1 1 81 81 MET N N 81 120.541 120.541 118.482 2.059 19425 270 1 . 1 1 81 81 MET C C 81 178.599 178.599 178.858 -0.259 19425 271 1 . 1 1 81 81 MET CA C 81 59.665 59.665 59.286 0.379 19425 272 1 . 1 1 81 81 MET CB C 81 32.534 32.534 32.766 -0.232 19425 273 1 . 1 1 81 81 MET H H 81 7.870 7.870 8.002 -0.132 19425 274 1 . 1 1 82 82 LEU N N 82 119.662 119.662 118.547 1.115 19425 275 1 . 1 1 82 82 LEU C C 82 179.638 179.638 178.995 0.643 19425 276 1 . 1 1 82 82 LEU CA C 82 57.669 57.669 57.052 0.617 19425 277 1 . 1 1 82 82 LEU CB C 82 40.783 40.783 41.669 -0.886 19425 278 1 . 1 1 82 82 LEU H H 82 8.488 8.488 7.916 0.572 19425 279 1 . 1 1 83 83 ALA N N 83 120.827 120.827 120.859 -0.032 19425 280 1 . 1 1 83 83 ALA C C 83 179.323 179.323 179.555 -0.232 19425 281 1 . 1 1 83 83 ALA CA C 83 54.073 54.073 54.677 -0.604 19425 282 1 . 1 1 83 83 ALA CB C 83 18.326 18.326 18.543 -0.217 19425 283 1 . 1 1 83 83 ALA H H 83 7.704 7.704 8.032 -0.328 19425 284 1 . 1 1 84 84 ASN N N 84 115.853 115.853 114.880 0.973 19425 285 1 . 1 1 84 84 ASN C C 84 178.944 178.944 176.392 2.552 19425 286 1 . 1 1 84 84 ASN CA C 84 54.167 54.167 55.212 -1.045 19425 287 1 . 1 1 84 84 ASN CB C 84 39.465 39.465 38.675 0.790 19425 288 1 . 1 1 84 84 ASN H H 84 7.729 7.729 8.003 -0.274 19425 289 1 . 1 1 85 85 THR N N 85 112.611 112.611 109.258 3.353 19425 290 1 . 1 1 85 85 THR C C 85 175.569 175.569 175.360 0.209 19425 291 1 . 1 1 85 85 THR CA C 85 63.086 63.086 63.154 -0.068 19425 292 1 . 1 1 85 85 THR CB C 85 70.071 70.071 68.786 1.285 19425 293 1 . 1 1 85 85 THR H H 85 7.698 7.698 7.302 0.396 19425 294 1 . 1 1 86 86 VAL N N 86 121.812 121.812 120.263 1.549 19425 295 1 . 1 1 86 86 VAL C C 86 174.573 174.573 176.613 -2.039 19425 296 1 . 1 1 86 86 VAL CA C 86 62.811 62.811 64.227 -1.416 19425 297 1 . 1 1 86 86 VAL CB C 86 32.730 32.730 31.918 0.812 19425 298 1 . 1 1 86 86 VAL H H 86 7.874 7.874 7.357 0.517 19425 299 1 . 1 1 87 87 GLU N N 87 124.330 124.330 119.630 4.700 19425 300 1 . 1 1 87 87 GLU C C 87 176.280 176.280 176.058 0.222 19425 301 1 . 1 1 87 87 GLU CA C 87 56.877 56.877 56.289 0.588 19425 302 1 . 1 1 87 87 GLU CB C 87 29.852 29.852 30.566 -0.714 19425 303 1 . 1 1 87 87 GLU H H 87 8.403 8.403 7.876 0.527 19425 304 1 . 1 1 88 88 LYS N N 88 122.065 122.065 120.531 1.534 19425 305 1 . 1 1 88 88 LYS C C 88 176.966 176.966 175.945 1.022 19425 306 1 . 1 1 88 88 LYS CA C 88 56.799 56.799 56.532 0.267 19425 307 1 . 1 1 88 88 LYS CB C 88 32.597 32.597 32.883 -0.286 19425 308 1 . 1 1 88 88 LYS H H 88 8.330 8.330 8.277 0.053 19425 309 1 . 1 1 89 89 SER N N 89 116.192 116.192 116.689 -0.497 19425 310 1 . 1 1 89 89 SER C C 89 176.865 176.865 174.026 2.839 19425 311 1 . 1 1 89 89 SER CA C 89 59.008 59.008 58.436 0.572 19425 312 1 . 1 1 89 89 SER CB C 89 63.765 63.765 64.028 -0.263 19425 313 1 . 1 1 89 89 SER H H 89 8.247 8.247 8.391 -0.144 19425 314 1 . 1 1 90 90 GLU N N 90 122.006 122.006 121.583 0.423 19425 315 1 . 1 1 90 90 GLU C C 90 174.702 174.702 176.487 -1.785 19425 316 1 . 1 1 90 90 GLU CA C 90 57.231 57.231 56.451 0.780 19425 317 1 . 1 1 90 90 GLU CB C 90 29.442 29.442 30.182 -0.740 19425 318 1 . 1 1 90 90 GLU H H 90 8.560 8.560 8.367 0.193 19425 319 1 . 1 1 91 91 GLY N N 91 110.052 110.052 110.198 -0.146 19425 320 1 . 1 1 91 91 GLY C C 91 177.170 177.170 174.177 2.993 19425 321 1 . 1 1 91 91 GLY CA C 91 45.634 45.634 45.185 0.449 19425 322 1 . 1 1 91 91 GLY H H 91 8.358 8.358 8.437 -0.079 19425 323 1 . 1 1 92 92 GLN N N 92 120.053 120.053 118.454 1.599 19425 324 1 . 1 1 92 92 GLN C C 92 173.905 173.905 175.462 -1.557 19425 325 1 . 1 1 92 92 GLN CA C 92 55.261 55.261 55.782 -0.521 19425 326 1 . 1 1 92 92 GLN CB C 92 29.573 29.573 29.178 0.395 19425 327 1 . 1 1 92 92 GLN H H 92 8.075 8.075 8.071 0.004 19425 328 1 . 1 1 93 93 VAL N N 93 123.434 123.434 119.124 4.310 19425 329 1 . 1 1 93 93 VAL C C 93 175.667 175.667 175.243 0.424 19425 330 1 . 1 1 93 93 VAL CA C 93 62.914 62.914 62.138 0.776 19425 331 1 . 1 1 93 93 VAL CB C 93 32.629 32.629 32.648 -0.019 19425 332 1 . 1 1 93 93 VAL H H 93 8.370 8.370 8.005 0.365 19425 333 1 . 1 1 94 94 ASP N N 94 125.761 125.761 122.289 3.472 19425 334 1 . 1 1 94 94 ASP C C 94 175.704 175.704 175.850 -0.146 19425 335 1 . 1 1 94 94 ASP CA C 94 53.743 53.743 54.306 -0.563 19425 336 1 . 1 1 94 94 ASP CB C 94 40.771 40.771 39.887 0.884 19425 337 1 . 1 1 94 94 ASP H H 94 8.550 8.550 8.314 0.236 19425 338 1 . 1 1 95 95 VAL N N 95 125.064 125.064 119.801 5.263 19425 339 1 . 1 1 95 95 VAL C C 95 176.465 176.465 176.578 -0.113 19425 340 1 . 1 1 95 95 VAL CA C 95 65.487 65.487 63.489 1.998 19425 341 1 . 1 1 95 95 VAL CB C 95 31.773 31.773 31.795 -0.022 19425 342 1 . 1 1 95 95 VAL H H 95 8.300 8.300 7.714 0.586 19425 343 1 . 1 1 96 96 GLU N N 96 120.880 120.880 121.370 -0.490 19425 344 1 . 1 1 96 96 GLU C C 96 177.523 177.523 177.657 -0.134 19425 345 1 . 1 1 96 96 GLU CA C 96 59.157 59.157 58.865 0.292 19425 346 1 . 1 1 96 96 GLU CB C 96 28.575 28.575 29.396 -0.821 19425 347 1 . 1 1 96 96 GLU H H 96 8.297 8.297 8.571 -0.274 19425 348 1 . 1 1 97 97 LYS N N 97 121.943 121.943 118.744 3.199 19425 349 1 . 1 1 97 97 LYS C C 97 179.434 179.434 178.583 0.851 19425 350 1 . 1 1 97 97 LYS CA C 97 59.186 59.186 58.013 1.173 19425 351 1 . 1 1 97 97 LYS CB C 97 32.036 32.036 32.294 -0.259 19425 352 1 . 1 1 97 97 LYS H H 97 7.979 7.979 8.091 -0.113 19425 353 1 . 1 1 98 98 TRP N N 98 121.420 121.420 121.327 0.093 19425 354 1 . 1 1 98 98 TRP C C 98 178.673 178.673 178.007 0.666 19425 355 1 . 1 1 98 98 TRP CA C 98 60.176 60.176 59.902 0.274 19425 356 1 . 1 1 98 98 TRP CB C 98 29.340 29.340 29.006 0.334 19425 357 1 . 1 1 98 98 TRP H H 98 8.202 8.202 8.222 -0.020 19425 358 1 . 1 1 99 99 LYS N N 99 118.236 118.236 118.780 -0.544 19425 359 1 . 1 1 99 99 LYS C C 99 177.374 177.374 178.747 -1.373 19425 360 1 . 1 1 99 99 LYS CA C 99 59.812 59.812 59.509 0.303 19425 361 1 . 1 1 99 99 LYS CB C 99 32.042 32.042 31.696 0.346 19425 362 1 . 1 1 99 99 LYS H H 99 8.346 8.346 8.426 -0.080 19425 363 1 . 1 1 100 100 PHE N N 100 120.365 120.365 120.416 -0.051 19425 364 1 . 1 1 100 100 PHE C C 100 179.193 179.193 177.361 1.832 19425 365 1 . 1 1 100 100 PHE CA C 100 60.902 60.902 61.340 -0.438 19425 366 1 . 1 1 100 100 PHE CB C 100 38.875 38.875 39.243 -0.368 19425 367 1 . 1 1 100 100 PHE H H 100 7.916 7.916 7.799 0.117 19425 368 1 . 1 1 101 101 MET N N 101 121.837 121.837 120.892 0.945 19425 369 1 . 1 1 101 101 MET C C 101 178.172 178.172 178.280 -0.108 19425 370 1 . 1 1 101 101 MET CA C 101 58.625 58.625 58.568 0.057 19425 371 1 . 1 1 101 101 MET CB C 101 32.081 32.081 32.568 -0.487 19425 372 1 . 1 1 101 101 MET H H 101 8.393 8.393 8.223 0.170 19425 373 1 . 1 1 102 102 MET N N 102 119.901 119.901 118.137 1.764 19425 374 1 . 1 1 102 102 MET C C 102 178.655 178.655 177.948 0.707 19425 375 1 . 1 1 102 102 MET CA C 102 57.867 57.867 58.571 -0.704 19425 376 1 . 1 1 102 102 MET CB C 102 32.414 32.414 32.012 0.402 19425 377 1 . 1 1 102 102 MET H H 102 8.174 8.174 8.426 -0.252 19425 378 1 . 1 1 103 103 LYS N N 103 120.555 120.555 119.923 0.632 19425 379 1 . 1 1 103 103 LYS C C 103 177.857 177.857 178.976 -1.119 19425 380 1 . 1 1 103 103 LYS CA C 103 58.592 58.592 59.696 -1.104 19425 381 1 . 1 1 103 103 LYS CB C 103 31.816 31.816 32.169 -0.353 19425 382 1 . 1 1 103 103 LYS H H 103 7.899 7.899 8.008 -0.109 19425 383 1 . 1 1 104 104 THR N N 104 115.450 115.450 114.140 1.310 19425 384 1 . 1 1 104 104 THR C C 104 179.267 179.267 176.381 2.886 19425 385 1 . 1 1 104 104 THR CA C 104 64.914 64.914 65.999 -1.085 19425 386 1 . 1 1 104 104 THR CB C 104 69.103 69.103 68.496 0.607 19425 387 1 . 1 1 104 104 THR H H 104 7.895 7.895 8.027 -0.132 19425 388 1 . 1 1 105 105 ALA N N 105 124.862 124.862 123.680 1.182 19425 389 1 . 1 1 105 105 ALA C C 105 176.057 176.057 179.222 -3.165 19425 390 1 . 1 1 105 105 ALA CA C 105 54.106 54.106 54.754 -0.648 19425 391 1 . 1 1 105 105 ALA CB C 105 18.493 18.493 18.216 0.277 19425 392 1 . 1 1 105 105 ALA H H 105 7.896 7.896 7.874 0.022 19425 393 1 . 1 1 106 106 GLN N N 106 117.285 117.285 117.282 0.003 19425 394 1 . 1 1 106 106 GLN C C 106 178.655 178.655 178.041 0.614 19425 395 1 . 1 1 106 106 GLN CA C 106 56.913 56.913 57.468 -0.555 19425 396 1 . 1 1 106 106 GLN CB C 106 29.148 29.148 29.209 -0.061 19425 397 1 . 1 1 106 106 GLN H H 106 7.944 7.944 8.038 -0.094 19425 398 1 . 1 1 107 107 GLY N N 107 107.494 107.494 106.892 0.602 19425 399 1 . 1 1 107 107 GLY C C 107 177.597 177.597 174.913 2.684 19425 400 1 . 1 1 107 107 GLY CA C 107 45.975 45.975 45.393 0.582 19425 401 1 . 1 1 107 107 GLY H H 107 7.852 7.852 7.882 -0.030 19425 402 1 . 1 1 108 108 GLY N N 108 109.642 109.642 109.692 -0.050 19425 403 1 . 1 1 108 108 GLY C C 108 174.740 174.740 174.200 0.540 19425 404 1 . 1 1 108 108 GLY CA C 108 45.151 45.151 45.425 -0.274 19425 405 1 . 1 1 108 108 GLY H H 108 8.313 8.313 8.044 0.269 19425 406 1 . 1 1 109 109 GLY N N 109 108.058 108.058 108.258 -0.200 19425 407 1 . 1 1 109 109 GLY C C 109 174.313 174.313 173.445 0.868 19425 408 1 . 1 1 109 109 GLY CA C 109 44.659 44.659 44.810 -0.151 19425 409 1 . 1 1 109 109 GLY H H 109 8.059 8.059 7.985 0.074 19425 410 1 . 1 1 110 110 HIS N N 110 118.432 118.432 117.984 0.448 19425 411 1 . 1 1 110 110 HIS C C 110 173.348 173.348 174.553 -1.205 19425 412 1 . 1 1 110 110 HIS CA C 110 55.590 55.590 56.458 -0.868 19425 413 1 . 1 1 110 110 HIS CB C 110 28.502 28.502 30.942 -2.440 19425 414 1 . 1 1 110 110 HIS H H 110 8.261 8.261 8.227 0.034 19425 415 1 . 1 1 111 111 ARG N N 111 122.052 122.052 118.562 3.490 19425 416 1 . 1 1 111 111 ARG C C 111 174.908 174.908 174.860 0.048 19425 417 1 . 1 1 111 111 ARG CA C 111 55.233 55.233 54.994 0.239 19425 418 1 . 1 1 111 111 ARG CB C 111 31.125 31.125 32.735 -1.610 19425 419 1 . 1 1 111 111 ARG H H 111 8.597 8.597 8.604 -0.007 19425 420 1 . 1 1 112 112 THR N N 112 120.248 120.248 117.931 2.317 19425 421 1 . 1 1 112 112 THR C C 112 176.447 176.447 174.538 1.909 19425 422 1 . 1 1 112 112 THR CA C 112 63.723 63.723 63.081 0.642 19425 423 1 . 1 1 112 112 THR CB C 112 68.984 68.984 69.436 -0.452 19425 424 1 . 1 1 112 112 THR H H 112 8.577 8.577 8.396 0.181 19425 425 1 . 1 1 113 113 LEU N N 113 130.382 130.382 126.358 4.024 19425 426 1 . 1 1 113 113 LEU C C 113 174.294 174.294 175.366 -1.072 19425 427 1 . 1 1 113 113 LEU CA C 113 56.791 56.791 54.806 1.985 19425 428 1 . 1 1 113 113 LEU CB C 113 41.705 41.705 42.710 -1.005 19425 429 1 . 1 1 113 113 LEU H H 113 8.515 8.515 8.826 -0.311 19425 430 1 . 1 1 114 114 LEU N N 114 118.829 118.829 122.181 -3.352 19425 431 1 . 1 1 114 114 LEU C C 114 175.278 175.278 176.675 -1.397 19425 432 1 . 1 1 114 114 LEU CA C 114 51.667 51.667 52.575 -0.908 19425 433 1 . 1 1 114 114 LEU CB C 114 42.454 42.454 44.269 -1.815 19425 434 1 . 1 1 114 114 LEU H H 114 6.454 6.454 8.074 -1.620 19425 435 1 . 1 1 115 115 TYR N N 115 119.059 119.059 121.325 -2.266 19425 436 1 . 1 1 115 115 TYR C C 115 177.152 177.152 177.339 -0.187 19425 437 1 . 1 1 115 115 TYR CA C 115 62.452 62.452 60.682 1.770 19425 438 1 . 1 1 115 115 TYR CB C 115 38.058 38.058 37.989 0.069 19425 439 1 . 1 1 115 115 TYR H H 115 8.797 8.797 8.703 0.094 19425 440 1 . 1 1 116 116 GLY N N 116 115.795 115.795 113.184 2.611 19425 441 1 . 1 1 116 116 GLY C C 116 178.061 178.061 173.944 4.117 19425 442 1 . 1 1 116 116 GLY CA C 116 45.100 45.100 45.119 -0.019 19425 443 1 . 1 1 116 116 GLY H H 116 9.672 9.672 9.129 0.543 19425 444 1 . 1 1 117 117 HIS N N 117 122.193 122.193 121.581 0.612 19425 445 1 . 1 1 117 117 HIS C C 117 175.463 175.463 173.811 1.652 19425 446 1 . 1 1 117 117 HIS CA C 117 56.119 56.119 55.743 0.376 19425 447 1 . 1 1 117 117 HIS CB C 117 32.293 32.293 30.337 1.956 19425 448 1 . 1 1 117 117 HIS H H 117 8.113 8.113 7.816 0.297 19425 449 1 . 1 1 118 118 ALA N N 118 120.893 120.893 126.636 -5.743 19425 450 1 . 1 1 118 118 ALA C C 118 173.775 173.775 176.122 -2.347 19425 451 1 . 1 1 118 118 ALA CA C 118 50.378 50.378 51.418 -1.041 19425 452 1 . 1 1 118 118 ALA CB C 118 21.646 21.646 19.599 2.047 19425 453 1 . 1 1 118 118 ALA H H 118 9.458 9.458 8.926 0.532 19425 454 1 . 1 1 120 120 LEU N N 120 119.631 119.631 124.023 -4.392 19425 455 1 . 1 1 120 120 LEU C C 120 173.367 173.367 174.739 -1.372 19425 456 1 . 1 1 120 120 LEU CA C 120 56.217 56.217 52.867 3.350 19425 457 1 . 1 1 120 120 LEU CB C 120 39.519 39.519 43.983 -4.464 19425 458 1 . 1 1 120 120 LEU H H 120 8.746 8.746 8.241 0.505 19425 459 1 . 1 1 121 121 LEU N N 121 118.900 118.900 126.983 -8.083 19425 460 1 . 1 1 121 121 LEU C C 121 171.400 171.400 175.778 -4.378 19425 461 1 . 1 1 121 121 LEU CA C 121 52.852 52.852 53.726 -0.874 19425 462 1 . 1 1 121 121 LEU CB C 121 43.452 43.452 42.785 0.667 19425 463 1 . 1 1 121 121 LEU H H 121 8.590 8.590 8.616 -0.026 19425 464 1 . 1 1 122 122 ARG N N 122 123.588 123.588 124.970 -1.382 19425 465 1 . 1 1 122 122 ARG C C 122 176.465 176.465 175.469 0.996 19425 466 1 . 1 1 122 122 ARG CA C 122 54.403 54.403 53.985 0.418 19425 467 1 . 1 1 122 122 ARG CB C 122 32.897 32.897 31.684 1.213 19425 468 1 . 1 1 122 122 ARG H H 122 9.077 9.077 8.794 0.283 19425 469 1 . 1 1 123 123 HIS N N 123 131.440 131.440 127.649 3.791 19425 470 1 . 1 1 123 123 HIS C C 123 175.704 175.704 175.554 0.150 19425 471 1 . 1 1 123 123 HIS CA C 123 56.637 56.637 56.773 -0.136 19425 472 1 . 1 1 123 123 HIS CB C 123 31.261 31.261 30.068 1.193 19425 473 1 . 1 1 123 123 HIS H H 123 9.622 9.622 8.493 1.129 19425 474 1 . 1 1 124 124 SER N N 124 127.024 127.024 124.744 2.280 19425 475 1 . 1 1 124 124 SER C C 124 175.686 175.686 175.802 -0.116 19425 476 1 . 1 1 124 124 SER CA C 124 62.010 62.010 61.728 0.282 19425 477 1 . 1 1 124 124 SER CB C 124 62.912 62.912 62.903 0.009 19425 478 1 . 1 1 124 124 SER H H 124 7.840 7.840 7.849 -0.009 19425 479 1 . 1 1 125 125 TYR N N 125 119.708 119.708 120.667 -0.959 19425 480 1 . 1 1 125 125 TYR C C 125 180.696 180.696 176.836 3.860 19425 481 1 . 1 1 125 125 TYR CA C 125 60.903 60.903 60.644 0.259 19425 482 1 . 1 1 125 125 TYR CB C 125 38.744 38.744 38.516 0.228 19425 483 1 . 1 1 125 125 TYR H H 125 8.746 8.746 7.458 1.288 19425 484 1 . 1 1 126 126 SER N N 126 110.333 110.333 113.125 -2.792 19425 485 1 . 1 1 126 126 SER C C 126 176.543 176.543 176.010 0.533 19425 486 1 . 1 1 126 126 SER CA C 126 59.366 59.366 59.403 -0.037 19425 487 1 . 1 1 126 126 SER CB C 126 65.282 65.282 64.543 0.739 19425 488 1 . 1 1 126 126 SER H H 126 7.004 7.004 8.074 -1.069 19425 489 1 . 1 1 127 127 GLY N N 127 113.322 113.322 110.072 3.250 19425 490 1 . 1 1 127 127 GLY C C 127 176.428 176.428 174.314 2.114 19425 491 1 . 1 1 127 127 GLY CA C 127 46.064 46.064 45.522 0.542 19425 492 1 . 1 1 127 127 GLY H H 127 8.181 8.181 8.408 -0.227 19425 493 1 . 1 1 128 128 MET N N 128 118.598 118.598 119.010 -0.412 19425 494 1 . 1 1 128 128 MET C C 128 173.200 173.200 175.058 -1.858 19425 495 1 . 1 1 128 128 MET CA C 128 55.429 55.429 56.487 -1.057 19425 496 1 . 1 1 128 128 MET CB C 128 35.988 35.988 34.213 1.775 19425 497 1 . 1 1 128 128 MET H H 128 7.551 7.551 7.473 0.078 19425 498 1 . 1 1 129 129 TYR N N 129 116.715 116.715 114.465 2.250 19425 499 1 . 1 1 129 129 TYR C C 129 172.884 172.884 175.831 -2.947 19425 500 1 . 1 1 129 129 TYR CA C 129 58.658 58.658 57.152 1.506 19425 501 1 . 1 1 129 129 TYR CB C 129 40.914 40.914 41.220 -0.306 19425 502 1 . 1 1 129 129 TYR H H 129 8.923 8.923 8.491 0.432 19425 503 1 . 1 1 130 130 LEU N N 130 123.061 123.061 125.014 -1.953 19425 504 1 . 1 1 130 130 LEU C C 130 176.677 176.677 176.463 0.214 19425 505 1 . 1 1 130 130 LEU CA C 130 56.311 56.311 56.275 0.036 19425 506 1 . 1 1 130 130 LEU CB C 130 42.909 42.909 42.368 0.541 19425 507 1 . 1 1 130 130 LEU H H 130 8.236 8.236 8.958 -0.722 19425 508 1 . 1 1 131 131 CYS N N 131 126.618 126.618 126.555 0.063 19425 509 1 . 1 1 131 131 CYS C C 131 177.616 177.616 173.179 4.437 19425 510 1 . 1 1 131 131 CYS CA C 131 57.028 57.028 56.839 0.189 19425 511 1 . 1 1 131 131 CYS CB C 131 32.339 32.339 30.928 1.411 19425 512 1 . 1 1 131 131 CYS H H 131 9.516 9.516 9.462 0.054 19425 513 1 . 1 1 132 132 CYS N N 132 124.860 124.860 126.726 -1.866 19425 514 1 . 1 1 132 132 CYS C C 132 172.309 172.309 174.383 -2.074 19425 515 1 . 1 1 132 132 CYS CA C 132 59.436 59.436 57.731 1.705 19425 516 1 . 1 1 132 132 CYS CB C 132 27.383 27.383 26.215 1.168 19425 517 1 . 1 1 132 132 CYS H H 132 8.142 8.142 8.262 -0.120 19425 518 1 . 1 1 133 133 LEU N N 133 131.382 131.382 128.036 3.346 19425 519 1 . 1 1 133 133 LEU C C 133 174.035 174.035 177.570 -3.535 19425 520 1 . 1 1 133 133 LEU CA C 133 54.799 54.799 54.755 0.044 19425 521 1 . 1 1 133 133 LEU CB C 133 41.109 41.109 42.605 -1.496 19425 522 1 . 1 1 133 133 LEU H H 133 9.008 9.008 8.313 0.695 19425 523 1 . 1 1 134 134 SER N N 134 112.103 112.103 113.866 -1.763 19425 524 1 . 1 1 134 134 SER C C 134 175.519 175.519 174.309 1.210 19425 525 1 . 1 1 134 134 SER CA C 134 58.320 58.320 58.641 -0.321 19425 526 1 . 1 1 134 134 SER CB C 134 63.979 63.979 62.851 1.128 19425 527 1 . 1 1 134 134 SER H H 134 8.229 8.229 8.480 -0.251 19425 528 1 . 1 1 135 135 THR N N 135 111.693 111.693 112.551 -0.858 19425 529 1 . 1 1 135 135 THR C C 135 174.535 174.535 175.114 -0.579 19425 530 1 . 1 1 135 135 THR CA C 135 60.703 60.703 60.799 -0.096 19425 531 1 . 1 1 135 135 THR CB C 135 70.624 70.624 70.498 0.126 19425 532 1 . 1 1 135 135 THR H H 135 7.292 7.292 7.387 -0.095 19425 533 1 . 1 1 136 136 SER N N 136 117.260 117.260 122.424 -5.164 19425 534 1 . 1 1 136 136 SER C C 136 173.478 173.478 174.832 -1.354 19425 535 1 . 1 1 136 136 SER CA C 136 57.537 57.537 61.346 -3.809 19425 536 1 . 1 1 136 136 SER CB C 136 64.593 64.593 63.773 0.820 19425 537 1 . 1 1 136 136 SER H H 136 8.544 8.544 9.085 -0.541 19425 538 1 . 1 1 137 137 ARG N N 137 124.804 124.804 116.151 8.653 19425 539 1 . 1 1 137 137 ARG C C 137 175.000 175.000 175.320 -0.320 19425 540 1 . 1 1 137 137 ARG CA C 137 56.922 56.922 56.694 0.228 19425 541 1 . 1 1 137 137 ARG CB C 137 30.733 30.733 30.838 -0.105 19425 542 1 . 1 1 137 137 ARG H H 137 9.231 9.231 8.086 1.145 19425 543 1 . 1 1 138 138 SER N N 138 126.225 126.225 114.923 11.302 19425 544 1 . 1 1 138 138 SER C C 138 175.871 175.871 174.316 1.555 19425 545 1 . 1 1 138 138 SER CA C 138 61.891 61.891 58.743 3.148 19425 546 1 . 1 1 138 138 SER CB C 138 62.730 62.730 64.043 -1.313 19425 547 1 . 1 1 138 138 SER H H 138 7.891 7.891 8.309 -0.418 19425 548 1 . 1 1 140 140 THR N N 140 114.799 114.799 114.775 0.024 19425 549 1 . 1 1 140 140 THR C C 140 173.756 173.756 173.898 -0.142 19425 550 1 . 1 1 140 140 THR CA C 140 62.895 62.895 62.775 0.120 19425 551 1 . 1 1 140 140 THR CB C 140 69.332 69.332 69.508 -0.176 19425 552 1 . 1 1 140 140 THR H H 140 8.168 8.168 8.092 0.076 19425 553 1 . 1 1 141 141 ASP N N 141 121.772 121.772 121.258 0.514 19425 554 1 . 1 1 141 141 ASP C C 141 174.795 174.795 175.400 -0.605 19425 555 1 . 1 1 141 141 ASP CA C 141 54.001 54.001 54.318 -0.317 19425 556 1 . 1 1 141 141 ASP CB C 141 40.914 40.914 41.906 -0.992 19425 557 1 . 1 1 141 141 ASP H H 141 8.049 8.049 8.227 -0.178 19425 558 1 . 1 1 142 142 LYS N N 142 121.585 121.585 120.171 1.414 19425 559 1 . 1 1 142 142 LYS C C 142 176.274 176.274 176.531 -0.257 19425 560 1 . 1 1 142 142 LYS CA C 142 57.106 57.106 56.072 1.034 19425 561 1 . 1 1 142 142 LYS CB C 142 31.369 31.369 33.307 -1.938 19425 562 1 . 1 1 142 142 LYS H H 142 8.376 8.376 8.236 0.140 19425 563 1 . 1 1 143 143 LEU N N 143 119.604 119.604 120.270 -0.666 19425 564 1 . 1 1 143 143 LEU C C 143 176.798 176.798 176.935 -0.137 19425 565 1 . 1 1 143 143 LEU CA C 143 55.261 55.261 57.112 -1.851 19425 566 1 . 1 1 143 143 LEU CB C 143 41.487 41.487 41.122 0.365 19425 567 1 . 1 1 143 143 LEU H H 143 8.262 8.262 8.219 0.043 19425 568 1 . 1 1 144 144 ALA N N 144 123.881 123.881 117.851 6.030 19425 569 1 . 1 1 144 144 ALA C C 144 176.410 176.410 176.617 -0.207 19425 570 1 . 1 1 144 144 ALA CA C 144 51.335 51.335 50.954 0.381 19425 571 1 . 1 1 144 144 ALA CB C 144 20.924 20.924 20.782 0.142 19425 572 1 . 1 1 144 144 ALA H H 144 7.614 7.614 7.651 -0.037 19425 573 1 . 1 1 145 145 PHE N N 145 120.083 120.083 118.466 1.617 19425 574 1 . 1 1 145 145 PHE C C 145 176.948 176.948 175.592 1.356 19425 575 1 . 1 1 145 145 PHE CA C 145 55.872 55.872 56.612 -0.740 19425 576 1 . 1 1 145 145 PHE CB C 145 42.468 42.468 41.183 1.285 19425 577 1 . 1 1 145 145 PHE H H 145 8.647 8.647 8.653 -0.006 19425 578 1 . 1 1 146 146 ASP N N 146 119.893 119.893 120.222 -0.329 19425 579 1 . 1 1 146 146 ASP C C 146 175.519 175.519 174.545 0.974 19425 580 1 . 1 1 146 146 ASP CA C 146 54.679 54.679 54.591 0.088 19425 581 1 . 1 1 146 146 ASP CB C 146 42.169 42.169 42.904 -0.735 19425 582 1 . 1 1 146 146 ASP H H 146 8.692 8.692 8.949 -0.258 19425 583 1 . 1 1 147 147 VAL N N 147 118.800 118.800 121.851 -3.051 19425 584 1 . 1 1 147 147 VAL C C 147 174.053 174.053 175.527 -1.474 19425 585 1 . 1 1 147 147 VAL CA C 147 60.671 60.671 61.290 -0.619 19425 586 1 . 1 1 147 147 VAL CB C 147 35.326 35.326 32.943 2.383 19425 587 1 . 1 1 147 147 VAL H H 147 8.224 8.224 8.573 -0.349 19425 588 1 . 1 1 148 148 GLY N N 148 113.226 113.226 114.724 -1.498 19425 589 1 . 1 1 148 148 GLY C C 148 175.141 175.141 172.202 2.939 19425 590 1 . 1 1 148 148 GLY CA C 148 45.384 45.384 43.794 1.590 19425 591 1 . 1 1 148 148 GLY H H 148 8.594 8.594 8.841 -0.247 19425 592 1 . 1 1 149 149 LEU N N 149 120.880 120.880 119.456 1.424 19425 593 1 . 1 1 149 149 LEU C C 149 170.973 170.973 175.508 -4.535 19425 594 1 . 1 1 149 149 LEU CA C 149 53.299 53.299 53.674 -0.375 19425 595 1 . 1 1 149 149 LEU CB C 149 43.938 43.938 45.539 -1.601 19425 596 1 . 1 1 149 149 LEU H H 149 8.303 8.303 8.101 0.202 19425 597 1 . 1 1 150 150 GLN N N 150 118.978 118.978 120.019 -1.041 19425 598 1 . 1 1 150 150 GLN C C 150 177.133 177.133 175.806 1.327 19425 599 1 . 1 1 150 150 GLN CA C 150 54.723 54.723 55.017 -0.294 19425 600 1 . 1 1 150 150 GLN CB C 150 32.690 32.690 32.454 0.236 19425 601 1 . 1 1 150 150 GLN H H 150 9.115 9.115 8.686 0.429 19425 602 1 . 1 1 151 151 GLU N N 151 121.344 121.344 124.322 -2.978 19425 603 1 . 1 1 151 151 GLU C C 151 175.333 175.333 176.070 -0.737 19425 604 1 . 1 1 151 151 GLU CA C 151 59.140 59.140 58.593 0.547 19425 605 1 . 1 1 151 151 GLU CB C 151 30.735 30.735 29.834 0.901 19425 606 1 . 1 1 151 151 GLU H H 151 9.142 9.142 8.810 0.332 19425 607 1 . 1 1 152 152 ASP N N 152 117.494 117.494 118.166 -0.672 19425 608 1 . 1 1 152 152 ASP C C 152 176.391 176.391 176.443 -0.052 19425 609 1 . 1 1 152 152 ASP CA C 152 54.139 54.139 54.428 -0.289 19425 610 1 . 1 1 152 152 ASP CB C 152 41.920 41.920 41.564 0.356 19425 611 1 . 1 1 152 152 ASP H H 152 8.023 8.023 8.114 -0.091 19425 612 1 . 1 1 153 153 THR N N 153 111.969 111.969 108.104 3.865 19425 613 1 . 1 1 153 153 THR C C 153 175.964 175.964 174.731 1.233 19425 614 1 . 1 1 153 153 THR CA C 153 61.894 61.894 61.994 -0.100 19425 615 1 . 1 1 153 153 THR CB C 153 68.903 68.903 69.262 -0.359 19425 616 1 . 1 1 153 153 THR H H 153 7.985 7.985 8.094 -0.109 19425 617 1 . 1 1 154 154 THR N N 154 113.978 113.978 114.311 -0.333 19425 618 1 . 1 1 154 154 THR C C 154 175.000 175.000 175.086 -0.086 19425 619 1 . 1 1 154 154 THR CA C 154 62.359 62.359 63.435 -1.076 19425 620 1 . 1 1 154 154 THR CB C 154 69.210 69.210 68.605 0.605 19425 621 1 . 1 1 154 154 THR H H 154 7.790 7.790 7.685 0.105 19425 622 1 . 1 1 155 155 GLY N N 155 108.411 108.411 114.373 -5.962 19425 623 1 . 1 1 155 155 GLY C C 155 174.702 174.702 172.482 2.220 19425 624 1 . 1 1 155 155 GLY CA C 155 44.737 44.737 44.747 -0.011 19425 625 1 . 1 1 155 155 GLY H H 155 7.639 7.639 7.992 -0.353 19425 626 1 . 1 1 156 156 GLU N N 156 118.666 118.666 120.326 -1.660 19425 627 1 . 1 1 156 156 GLU C C 156 173.571 173.571 177.855 -4.284 19425 628 1 . 1 1 156 156 GLU CA C 156 59.352 59.352 56.983 2.369 19425 629 1 . 1 1 156 156 GLU CB C 156 31.248 31.248 30.356 0.892 19425 630 1 . 1 1 156 156 GLU H H 156 8.606 8.606 8.703 -0.097 19425 631 1 . 1 1 157 157 ALA N N 157 118.664 118.664 123.748 -5.084 19425 632 1 . 1 1 157 157 ALA C C 157 177.727 177.727 178.375 -0.648 19425 633 1 . 1 1 157 157 ALA CA C 157 55.063 55.063 54.710 0.353 19425 634 1 . 1 1 157 157 ALA CB C 157 18.856 18.856 18.254 0.602 19425 635 1 . 1 1 157 157 ALA H H 157 8.159 8.159 8.507 -0.348 19425 636 1 . 1 1 158 158 CYS N N 158 114.681 114.681 114.730 -0.049 19425 637 1 . 1 1 158 158 CYS C C 158 179.972 179.972 173.548 6.424 19425 638 1 . 1 1 158 158 CYS CA C 158 57.585 57.585 58.361 -0.776 19425 639 1 . 1 1 158 158 CYS CB C 158 27.977 27.977 26.683 1.294 19425 640 1 . 1 1 158 158 CYS H H 158 7.973 7.973 8.244 -0.271 19425 641 1 . 1 1 165 165 ALA N N 165 122.416 122.416 128.101 -5.685 19425 642 1 . 1 1 165 165 ALA C C 165 176.743 176.743 177.740 -0.997 19425 643 1 . 1 1 165 165 ALA CA C 165 52.390 52.390 53.802 -1.411 19425 644 1 . 1 1 165 165 ALA CB C 165 20.486 20.486 19.303 1.183 19425 645 1 . 1 1 165 165 ALA H H 165 8.190 8.190 8.607 -0.417 19425 646 1 . 1 1 166 166 SER N N 166 111.681 111.681 113.011 -1.330 19425 647 1 . 1 1 166 166 SER C C 166 176.876 176.876 174.211 2.665 19425 648 1 . 1 1 166 166 SER CA C 166 56.863 56.863 57.091 -0.228 19425 649 1 . 1 1 166 166 SER CB C 166 65.738 65.738 64.736 1.002 19425 650 1 . 1 1 166 166 SER H H 166 7.690 7.690 7.693 -0.003 19425 651 1 . 1 1 167 167 LYS N N 167 121.655 121.655 118.930 2.725 19425 652 1 . 1 1 167 167 LYS C C 167 175.241 175.241 176.734 -1.493 19425 653 1 . 1 1 167 167 LYS CA C 167 55.297 55.297 56.986 -1.689 19425 654 1 . 1 1 167 167 LYS CB C 167 31.364 31.364 32.358 -0.994 19425 655 1 . 1 1 167 167 LYS H H 167 8.230 8.230 8.481 -0.251 19425 656 1 . 1 1 168 168 GLN N N 168 117.832 117.832 117.493 0.339 19425 657 1 . 1 1 168 168 GLN C C 168 176.836 176.836 176.269 0.567 19425 658 1 . 1 1 168 168 GLN CA C 168 57.366 57.366 56.589 0.777 19425 659 1 . 1 1 168 168 GLN CB C 168 28.979 28.979 28.906 0.073 19425 660 1 . 1 1 168 168 GLN H H 168 8.134 8.134 7.999 0.135 19425 661 1 . 1 1 169 169 ARG N N 169 117.052 117.052 119.657 -2.605 19425 662 1 . 1 1 169 169 ARG C C 169 175.946 175.946 175.277 0.669 19425 663 1 . 1 1 169 169 ARG CA C 169 52.885 52.885 54.702 -1.817 19425 664 1 . 1 1 169 169 ARG CB C 169 32.795 32.795 30.808 1.987 19425 665 1 . 1 1 169 169 ARG H H 169 7.209 7.209 7.818 -0.609 19425 666 1 . 1 1 170 170 SER N N 170 114.335 114.335 114.538 -0.203 19425 667 1 . 1 1 170 170 SER C C 170 174.387 174.387 173.522 0.865 19425 668 1 . 1 1 170 170 SER CA C 170 56.976 56.976 56.456 0.520 19425 669 1 . 1 1 170 170 SER CB C 170 66.348 66.348 66.026 0.322 19425 670 1 . 1 1 170 170 SER H H 170 8.279 8.279 8.460 -0.181 19425 671 1 . 1 1 171 171 GLU N N 171 121.428 121.428 121.675 -0.247 19425 672 1 . 1 1 171 171 GLU C C 171 173.293 173.293 177.168 -3.875 19425 673 1 . 1 1 171 171 GLU CA C 171 58.658 58.658 57.202 1.456 19425 674 1 . 1 1 171 171 GLU CB C 171 28.693 28.693 28.723 -0.030 19425 675 1 . 1 1 171 171 GLU H H 171 8.540 8.540 8.639 -0.099 19425 676 1 . 1 1 172 172 GLY N N 172 113.162 113.162 114.682 -1.520 19425 677 1 . 1 1 172 172 GLY C C 172 177.504 177.504 174.398 3.106 19425 678 1 . 1 1 172 172 GLY CA C 172 45.452 45.452 44.977 0.475 19425 679 1 . 1 1 172 172 GLY H H 172 8.676 8.676 9.031 -0.355 19425 680 1 . 1 1 173 173 GLU N N 173 119.545 119.545 121.277 -1.732 19425 681 1 . 1 1 173 173 GLU C C 173 173.311 173.311 176.101 -2.790 19425 682 1 . 1 1 173 173 GLU CA C 173 55.689 55.689 56.385 -0.696 19425 683 1 . 1 1 173 173 GLU CB C 173 31.204 31.204 30.896 0.308 19425 684 1 . 1 1 173 173 GLU H H 173 7.805 7.805 7.825 -0.020 19425 685 1 . 1 1 174 174 LYS N N 174 120.834 120.834 121.315 -0.481 19425 686 1 . 1 1 174 174 LYS C C 174 175.352 175.352 176.755 -1.403 19425 687 1 . 1 1 174 174 LYS CA C 174 57.207 57.207 56.941 0.266 19425 688 1 . 1 1 174 174 LYS CB C 174 34.185 34.185 32.794 1.391 19425 689 1 . 1 1 174 174 LYS H H 174 8.215 8.215 8.460 -0.245 19425 690 1 . 1 1 175 175 VAL N N 175 122.529 122.529 124.386 -1.857 19425 691 1 . 1 1 175 175 VAL C C 175 176.595 176.595 175.465 1.130 19425 692 1 . 1 1 175 175 VAL CA C 175 63.046 63.046 61.763 1.283 19425 693 1 . 1 1 175 175 VAL CB C 175 31.265 31.265 31.635 -0.370 19425 694 1 . 1 1 175 175 VAL H H 175 7.914 7.914 8.577 -0.663 19425 695 1 . 1 1 176 176 ARG N N 176 127.622 127.622 127.481 0.141 19425 696 1 . 1 1 176 176 ARG C C 176 175.742 175.742 176.848 -1.106 19425 697 1 . 1 1 176 176 ARG CA C 176 55.767 55.767 54.466 1.301 19425 698 1 . 1 1 176 176 ARG CB C 176 30.480 30.480 31.395 -0.915 19425 699 1 . 1 1 176 176 ARG H H 176 7.570 7.570 8.562 -0.992 19425 700 1 . 1 1 177 177 VAL N N 177 122.521 122.521 122.388 0.133 19425 701 1 . 1 1 177 177 VAL C C 177 177.523 177.523 177.272 0.251 19425 702 1 . 1 1 177 177 VAL CA C 177 65.322 65.322 64.281 1.041 19425 703 1 . 1 1 177 177 VAL CB C 177 31.431 31.431 31.046 0.385 19425 704 1 . 1 1 177 177 VAL H H 177 8.276 8.276 7.990 0.286 19425 705 1 . 1 1 179 179 ASP N N 179 122.577 122.577 123.689 -1.112 19425 706 1 . 1 1 179 179 ASP C C 179 174.554 174.554 175.748 -1.194 19425 707 1 . 1 1 179 179 ASP CA C 179 54.687 54.687 55.000 -0.313 19425 708 1 . 1 1 179 179 ASP CB C 179 40.417 40.417 41.316 -0.899 19425 709 1 . 1 1 179 179 ASP H H 179 7.848 7.848 7.919 -0.071 19425 710 1 . 1 1 180 180 ASP N N 180 121.916 121.916 124.119 -2.203 19425 711 1 . 1 1 180 180 ASP C C 180 174.610 174.610 175.968 -1.358 19425 712 1 . 1 1 180 180 ASP CA C 180 54.379 54.379 55.081 -0.702 19425 713 1 . 1 1 180 180 ASP CB C 180 42.178 42.178 40.890 1.288 19425 714 1 . 1 1 180 180 ASP H H 180 8.521 8.521 8.525 -0.005 19425 715 1 . 1 1 181 181 LEU N N 181 121.499 121.499 123.501 -2.002 19425 716 1 . 1 1 181 181 LEU C C 181 175.166 175.166 176.735 -1.569 19425 717 1 . 1 1 181 181 LEU CA C 181 54.379 54.379 53.700 0.679 19425 718 1 . 1 1 181 181 LEU CB C 181 45.395 45.395 44.478 0.917 19425 719 1 . 1 1 181 181 LEU H H 181 9.782 9.782 9.057 0.725 19425 720 1 . 1 1 185 185 SER N N 185 122.939 122.939 122.508 0.431 19425 721 1 . 1 1 185 185 SER C C 185 175.871 175.871 175.465 0.405 19425 722 1 . 1 1 185 185 SER CA C 185 57.514 57.514 58.492 -0.978 19425 723 1 . 1 1 185 185 SER CB C 185 62.772 62.772 63.258 -0.486 19425 724 1 . 1 1 185 185 SER H H 185 9.183 9.183 8.938 0.245 19425 725 1 . 1 1 186 186 VAL N N 186 131.799 131.799 127.808 3.991 19425 726 1 . 1 1 186 186 VAL C C 186 177.226 177.226 177.153 0.073 19425 727 1 . 1 1 186 186 VAL CA C 186 65.883 65.883 65.536 0.347 19425 728 1 . 1 1 186 186 VAL CB C 186 31.190 31.190 31.558 -0.368 19425 729 1 . 1 1 186 186 VAL H H 186 8.285 8.285 8.320 -0.034 19425 730 1 . 1 1 187 187 SER N N 187 110.228 110.228 114.326 -4.098 19425 731 1 . 1 1 187 187 SER C C 187 177.077 177.077 175.320 1.757 19425 732 1 . 1 1 187 187 SER CA C 187 60.200 60.200 60.406 -0.206 19425 733 1 . 1 1 187 187 SER CB C 187 62.264 62.264 63.504 -1.240 19425 734 1 . 1 1 187 187 SER H H 187 7.000 7.000 7.943 -0.943 19425 735 1 . 1 1 188 188 SER N N 188 115.022 115.022 114.826 0.197 19425 736 1 . 1 1 188 188 SER C C 188 176.632 176.632 173.423 3.209 19425 737 1 . 1 1 188 188 SER CA C 188 58.889 58.889 58.095 0.794 19425 738 1 . 1 1 188 188 SER CB C 188 66.818 66.818 64.368 2.450 19425 739 1 . 1 1 188 188 SER H H 188 7.886 7.886 7.562 0.324 19425 740 1 . 1 1 189 189 GLU N N 189 118.477 118.477 118.671 -0.194 19425 741 1 . 1 1 189 189 GLU C C 189 175.000 175.000 174.625 0.375 19425 742 1 . 1 1 189 189 GLU CA C 189 58.562 58.562 57.921 0.642 19425 743 1 . 1 1 189 189 GLU CB C 189 27.420 27.420 27.437 -0.017 19425 744 1 . 1 1 189 189 GLU H H 189 7.929 7.929 8.283 -0.354 19425 745 1 . 1 1 190 190 ARG N N 190 116.828 116.828 117.171 -0.343 19425 746 1 . 1 1 190 190 ARG C C 190 173.868 173.868 175.969 -2.101 19425 747 1 . 1 1 190 190 ARG CA C 190 54.238 54.238 54.525 -0.287 19425 748 1 . 1 1 190 190 ARG CB C 190 32.141 32.141 32.931 -0.790 19425 749 1 . 1 1 190 190 ARG H H 190 6.723 6.723 7.457 -0.734 19425 750 1 . 1 1 191 191 TYR N N 191 118.733 118.733 121.342 -2.609 19425 751 1 . 1 1 191 191 TYR C C 191 174.368 174.368 177.345 -2.977 19425 752 1 . 1 1 191 191 TYR CA C 191 57.405 57.405 58.700 -1.295 19425 753 1 . 1 1 191 191 TYR CB C 191 39.444 39.444 39.455 -0.011 19425 754 1 . 1 1 191 191 TYR H H 191 8.912 8.912 8.991 -0.079 19425 755 1 . 1 1 192 192 LEU N N 192 123.460 123.460 124.574 -1.114 19425 756 1 . 1 1 192 192 LEU C C 192 176.753 176.753 176.081 0.672 19425 757 1 . 1 1 192 192 LEU CA C 192 57.061 57.061 54.198 2.863 19425 758 1 . 1 1 192 192 LEU CB C 192 41.351 41.351 40.586 0.765 19425 759 1 . 1 1 192 192 LEU H H 192 8.836 8.836 8.889 -0.053 19425 760 1 . 1 1 193 193 HIS N N 193 134.195 134.195 125.238 8.957 19425 761 1 . 1 1 193 193 HIS C C 193 178.766 178.766 174.428 4.338 19425 762 1 . 1 1 193 193 HIS CA C 193 56.349 56.349 56.088 0.261 19425 763 1 . 1 1 193 193 HIS CB C 193 31.613 31.613 31.813 -0.200 19425 764 1 . 1 1 193 193 HIS H H 193 10.227 10.227 8.902 1.325 19425 765 1 . 1 1 194 194 LEU N N 194 128.500 128.500 127.248 1.252 19425 766 1 . 1 1 194 194 LEU C C 194 170.268 170.268 175.208 -4.940 19425 767 1 . 1 1 194 194 LEU CA C 194 54.139 54.139 53.843 0.296 19425 768 1 . 1 1 194 194 LEU CB C 194 44.036 44.036 43.429 0.607 19425 769 1 . 1 1 194 194 LEU H H 194 7.784 7.784 7.678 0.106 19425 770 1 . 1 1 195 195 SER N N 195 122.195 122.195 122.351 -0.156 19425 771 1 . 1 1 195 195 SER C C 195 174.740 174.740 173.351 1.389 19425 772 1 . 1 1 195 195 SER CA C 195 56.814 56.814 56.794 0.020 19425 773 1 . 1 1 195 195 SER CB C 195 66.260 66.260 65.958 0.302 19425 774 1 . 1 1 195 195 SER H H 195 9.042 9.042 8.962 0.080 19425 775 1 . 1 1 196 196 TYR N N 196 124.809 124.809 127.392 -2.583 19425 776 1 . 1 1 196 196 TYR C C 196 172.439 172.439 175.444 -3.005 19425 777 1 . 1 1 196 196 TYR CA C 196 57.019 57.019 56.724 0.295 19425 778 1 . 1 1 196 196 TYR CB C 196 39.817 39.817 38.549 1.268 19425 779 1 . 1 1 196 196 TYR H H 196 8.657 8.657 8.866 -0.209 19425 780 1 . 1 1 197 197 GLY N N 197 114.111 114.111 114.712 -0.601 19425 781 1 . 1 1 197 197 GLY C C 197 176.113 176.113 174.134 1.980 19425 782 1 . 1 1 197 197 GLY CA C 197 45.492 45.492 44.241 1.251 19425 783 1 . 1 1 197 197 GLY H H 197 8.030 8.030 8.255 -0.224 19425 784 1 . 1 1 200 200 SER N N 200 113.158 113.158 115.588 -2.430 19425 785 1 . 1 1 200 200 SER C C 200 172.661 172.661 171.922 0.739 19425 786 1 . 1 1 200 200 SER CA C 200 56.890 56.890 56.820 0.070 19425 787 1 . 1 1 200 200 SER CB C 200 65.522 65.522 65.351 0.171 19425 788 1 . 1 1 200 200 SER H H 200 6.893 6.893 7.331 -0.438 19425 789 1 . 1 1 201 201 TRP N N 201 122.521 122.521 120.072 2.449 19425 790 1 . 1 1 201 201 TRP C C 201 171.813 171.813 175.943 -4.130 19425 791 1 . 1 1 201 201 TRP CA C 201 56.990 56.990 56.167 0.823 19425 792 1 . 1 1 201 201 TRP CB C 201 31.501 31.501 31.896 -0.395 19425 793 1 . 1 1 201 201 TRP H H 201 8.243 8.243 8.202 0.041 19425 794 1 . 1 1 202 202 HIS N N 202 121.171 121.171 118.611 2.560 19425 795 1 . 1 1 202 202 HIS C C 202 173.805 173.805 173.568 0.237 19425 796 1 . 1 1 202 202 HIS CA C 202 55.169 55.169 54.797 0.372 19425 797 1 . 1 1 202 202 HIS CB C 202 32.254 32.254 34.324 -2.070 19425 798 1 . 1 1 202 202 HIS H H 202 9.383 9.383 9.397 -0.014 19425 799 1 . 1 1 203 203 VAL N N 203 119.943 119.943 121.071 -1.128 19425 800 1 . 1 1 203 203 VAL C C 203 172.439 172.439 174.276 -1.837 19425 801 1 . 1 1 203 203 VAL CA C 203 58.683 58.683 59.754 -1.071 19425 802 1 . 1 1 203 203 VAL CB C 203 33.957 33.957 34.388 -0.431 19425 803 1 . 1 1 203 203 VAL H H 203 8.649 8.649 8.860 -0.211 19425 804 1 . 1 1 204 204 ASP N N 204 127.907 127.907 126.558 1.349 19425 805 1 . 1 1 204 204 ASP C C 204 173.162 173.162 173.764 -0.602 19425 806 1 . 1 1 204 204 ASP CA C 204 53.545 53.545 52.724 0.821 19425 807 1 . 1 1 204 204 ASP CB C 204 42.169 42.169 44.308 -2.140 19425 808 1 . 1 1 204 204 ASP H H 204 9.822 9.822 8.983 0.839 19425 809 1 . 1 1 205 205 ALA N N 205 121.047 121.047 121.063 -0.016 19425 810 1 . 1 1 205 205 ALA C C 205 172.754 172.754 176.239 -3.485 19425 811 1 . 1 1 205 205 ALA CA C 205 50.147 50.147 50.607 -0.460 19425 812 1 . 1 1 205 205 ALA CB C 205 19.642 19.642 19.431 0.211 19425 813 1 . 1 1 205 205 ALA H H 205 9.176 9.176 8.396 0.780 19425 814 1 . 1 1 206 206 ALA N N 206 127.318 127.318 126.187 1.131 19425 815 1 . 1 1 206 206 ALA C C 206 176.465 176.465 175.962 0.503 19425 816 1 . 1 1 206 206 ALA CA C 206 50.609 50.609 50.387 0.222 19425 817 1 . 1 1 206 206 ALA CB C 206 23.819 23.819 21.789 2.030 19425 818 1 . 1 1 206 206 ALA H H 206 9.088 9.088 8.041 1.047 19425 819 1 . 1 1 207 207 PHE N N 207 117.878 117.878 116.918 0.960 19425 820 1 . 1 1 207 207 PHE C C 207 176.576 176.576 175.733 0.843 19425 821 1 . 1 1 207 207 PHE CA C 207 59.714 59.714 58.788 0.926 19425 822 1 . 1 1 207 207 PHE CB C 207 38.239 38.239 38.783 -0.544 19425 823 1 . 1 1 207 207 PHE H H 207 8.953 8.953 8.471 0.482 19425 824 1 . 1 1 208 208 GLN N N 208 117.531 117.531 117.136 0.395 19425 825 1 . 1 1 208 208 GLN C C 208 175.166 175.166 175.367 -0.201 19425 826 1 . 1 1 208 208 GLN CA C 208 55.096 55.096 54.023 1.073 19425 827 1 . 1 1 208 208 GLN CB C 208 30.437 30.437 30.648 -0.211 19425 828 1 . 1 1 208 208 GLN H H 208 6.613 6.613 7.738 -1.125 19425 829 1 . 1 1 209 209 GLN N N 209 117.318 117.318 122.236 -4.918 19425 830 1 . 1 1 209 209 GLN C C 209 173.162 173.162 175.693 -2.531 19425 831 1 . 1 1 209 209 GLN CA C 209 56.217 56.217 56.760 -0.543 19425 832 1 . 1 1 209 209 GLN CB C 209 29.912 29.912 29.432 0.480 19425 833 1 . 1 1 209 209 GLN H H 209 8.108 8.108 8.326 -0.218 19425 834 1 . 1 1 210 210 THR N N 210 116.616 116.616 113.907 2.709 19425 835 1 . 1 1 210 210 THR C C 210 176.150 176.150 172.739 3.411 19425 836 1 . 1 1 210 210 THR CA C 210 62.848 62.848 61.825 1.023 19425 837 1 . 1 1 210 210 THR CB C 210 73.244 73.244 70.401 2.843 19425 838 1 . 1 1 210 210 THR H H 210 6.641 6.641 8.263 -1.622 19425 839 1 . 1 1 211 211 LEU N N 211 126.776 126.776 127.021 -0.245 19425 840 1 . 1 1 211 211 LEU C C 211 171.418 171.418 175.647 -4.229 19425 841 1 . 1 1 211 211 LEU CA C 211 55.012 55.012 54.773 0.239 19425 842 1 . 1 1 211 211 LEU CB C 211 41.627 41.627 42.290 -0.663 19425 843 1 . 1 1 211 211 LEU H H 211 8.418 8.418 8.448 -0.030 19425 844 1 . 1 1 212 212 TRP N N 212 124.678 124.678 124.537 0.141 19425 845 1 . 1 1 212 212 TRP C C 212 175.742 175.742 175.880 -0.138 19425 846 1 . 1 1 212 212 TRP CA C 212 56.052 56.052 55.607 0.445 19425 847 1 . 1 1 212 212 TRP CB C 212 31.169 31.169 32.819 -1.650 19425 848 1 . 1 1 212 212 TRP H H 212 9.462 9.462 9.173 0.289 19425 849 1 . 1 1 213 213 SER N N 213 118.197 118.197 117.743 0.454 19425 850 1 . 1 1 213 213 SER C C 213 175.575 175.575 173.934 1.641 19425 851 1 . 1 1 213 213 SER CA C 213 57.141 57.141 56.861 0.280 19425 852 1 . 1 1 213 213 SER CB C 213 64.800 64.800 63.553 1.247 19425 853 1 . 1 1 213 213 SER H H 213 9.642 9.642 9.350 0.292 19425 854 1 . 1 1 214 214 VAL N N 214 125.581 125.581 129.429 -3.848 19425 855 1 . 1 1 214 214 VAL C C 214 174.183 174.183 174.785 -0.602 19425 856 1 . 1 1 214 214 VAL CA C 214 61.398 61.398 61.824 -0.426 19425 857 1 . 1 1 214 214 VAL CB C 214 32.502 32.502 31.386 1.116 19425 858 1 . 1 1 214 214 VAL H H 214 8.433 8.433 8.571 -0.138 19425 859 1 . 1 1 215 215 ALA N N 215 130.074 130.074 131.555 -1.481 19425 860 1 . 1 1 215 215 ALA C C 215 174.647 174.647 174.314 0.333 19425 861 1 . 1 1 215 215 ALA CA C 215 49.058 49.058 48.532 0.526 19425 862 1 . 1 1 215 215 ALA CB C 215 20.299 20.299 20.491 -0.192 19425 863 1 . 1 1 215 215 ALA H H 215 8.572 8.572 8.380 0.192 19425 stop_ save_