data_19162 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19162 _Entry.PDB_ID 2M6X 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 19162 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ALA C C 2 178.255 178.255 178.378 -0.123 19162 2 1 1 . 1 1 2 2 ALA CA C 2 53.263 53.263 53.814 -0.551 19162 3 1 1 . 1 1 2 2 ALA CB C 2 18.411 18.411 19.271 -0.860 19162 4 1 1 . 1 1 3 3 LYS N N 3 119.081 119.081 120.843 -1.762 19162 5 1 1 . 1 1 3 3 LYS C C 3 176.752 176.752 175.178 1.574 19162 6 1 1 . 1 1 3 3 LYS CA C 3 57.816 57.816 56.538 1.278 19162 7 1 1 . 1 1 3 3 LYS CB C 3 31.751 31.751 30.436 1.315 19162 8 1 1 . 1 1 3 3 LYS H H 3 8.607 8.607 8.398 0.209 19162 9 1 1 . 1 1 4 4 ASN N N 4 118.255 118.255 118.286 -0.031 19162 10 1 1 . 1 1 4 4 ASN C C 4 176.029 176.029 176.202 -0.173 19162 11 1 1 . 1 1 4 4 ASN CA C 4 54.712 54.712 53.928 0.784 19162 12 1 1 . 1 1 4 4 ASN CB C 4 38.244 38.244 40.481 -2.237 19162 13 1 1 . 1 1 4 4 ASN H H 4 8.185 8.185 8.188 -0.003 19162 14 1 1 . 1 1 5 5 VAL N N 5 119.998 119.998 121.547 -1.549 19162 15 1 1 . 1 1 5 5 VAL C C 5 177.259 177.259 177.254 0.005 19162 16 1 1 . 1 1 5 5 VAL CA C 5 64.232 64.232 66.574 -2.342 19162 17 1 1 . 1 1 5 5 VAL CB C 5 31.524 31.524 31.645 -0.121 19162 18 1 1 . 1 1 5 5 VAL H H 5 7.857 7.857 7.687 0.170 19162 19 1 1 . 1 1 6 6 ILE N N 6 122.474 122.474 118.774 3.700 19162 20 1 1 . 1 1 6 6 ILE C C 6 177.009 177.009 178.115 -1.106 19162 21 1 1 . 1 1 6 6 ILE CA C 6 63.400 63.400 64.809 -1.409 19162 22 1 1 . 1 1 6 6 ILE CB C 6 37.177 37.177 37.481 -0.304 19162 23 1 1 . 1 1 6 6 ILE H H 6 8.062 8.062 7.825 0.237 19162 24 1 1 . 1 1 7 7 VAL N N 7 120.915 120.915 119.578 1.337 19162 25 1 1 . 1 1 7 7 VAL C C 7 177.009 177.009 177.955 -0.946 19162 26 1 1 . 1 1 7 7 VAL CA C 7 65.017 65.017 66.110 -1.093 19162 27 1 1 . 1 1 7 7 VAL CB C 7 31.309 31.309 31.483 -0.174 19162 28 1 1 . 1 1 7 7 VAL H H 7 7.993 7.993 7.474 0.519 19162 29 1 1 . 1 1 8 8 LEU N N 8 121.098 121.098 119.904 1.194 19162 30 1 1 . 1 1 8 8 LEU C C 8 178.655 178.655 178.740 -0.085 19162 31 1 1 . 1 1 8 8 LEU CA C 8 56.781 56.781 58.544 -1.763 19162 32 1 1 . 1 1 8 8 LEU CB C 8 41.010 41.010 41.301 -0.291 19162 33 1 1 . 1 1 8 8 LEU H H 8 8.061 8.061 7.850 0.211 19162 34 1 1 . 1 1 9 9 ASN N N 9 118.347 118.347 117.381 0.966 19162 35 1 1 . 1 1 9 9 ASN C C 9 176.695 176.695 177.201 -0.506 19162 36 1 1 . 1 1 9 9 ASN CA C 9 54.919 54.919 55.979 -1.060 19162 37 1 1 . 1 1 9 9 ASN CB C 9 38.674 38.674 37.997 0.677 19162 38 1 1 . 1 1 9 9 ASN H H 9 8.102 8.102 7.542 0.560 19162 39 1 1 . 1 1 10 10 ALA N N 10 124.124 124.124 121.913 2.211 19162 40 1 1 . 1 1 10 10 ALA C C 10 178.263 178.263 179.393 -1.130 19162 41 1 1 . 1 1 10 10 ALA CA C 10 54.505 54.505 54.941 -0.435 19162 42 1 1 . 1 1 10 10 ALA CB C 10 17.942 17.942 18.127 -0.185 19162 43 1 1 . 1 1 10 10 ALA H H 10 8.388 8.388 7.621 0.767 19162 44 1 1 . 1 1 11 11 ALA N N 11 119.814 119.814 119.997 -0.183 19162 45 1 1 . 1 1 11 11 ALA C C 11 179.204 179.204 179.447 -0.243 19162 46 1 1 . 1 1 11 11 ALA CA C 11 54.298 54.298 55.122 -0.824 19162 47 1 1 . 1 1 11 11 ALA CB C 11 17.942 17.942 17.889 0.053 19162 48 1 1 . 1 1 11 11 ALA H H 11 8.279 8.279 7.785 0.494 19162 49 1 1 . 1 1 12 12 SER N N 12 113.303 113.303 114.842 -1.539 19162 50 1 1 . 1 1 12 12 SER C C 12 175.873 175.873 176.471 -0.598 19162 51 1 1 . 1 1 12 12 SER CA C 12 60.140 60.140 60.822 -0.682 19162 52 1 1 . 1 1 12 12 SER CB C 12 63.221 63.221 62.534 0.687 19162 53 1 1 . 1 1 12 12 SER H H 12 7.952 7.952 7.444 0.508 19162 54 1 1 . 1 1 13 13 ALA N N 13 124.308 124.308 123.273 1.035 19162 55 1 1 . 1 1 13 13 ALA C C 13 178.420 178.420 178.657 -0.237 19162 56 1 1 . 1 1 13 13 ALA CA C 13 53.470 53.470 54.752 -1.282 19162 57 1 1 . 1 1 13 13 ALA CB C 13 18.373 18.373 18.255 0.118 19162 58 1 1 . 1 1 13 13 ALA H H 13 7.924 7.924 7.420 0.504 19162 59 1 1 . 1 1 14 14 ALA N N 14 119.998 119.998 120.384 -0.386 19162 60 1 1 . 1 1 14 14 ALA C C 14 178.420 178.420 179.423 -1.003 19162 61 1 1 . 1 1 14 14 ALA CA C 14 53.263 53.263 53.934 -0.671 19162 62 1 1 . 1 1 14 14 ALA CB C 14 18.373 18.373 18.229 0.144 19162 63 1 1 . 1 1 14 14 ALA H H 14 7.965 7.965 7.502 0.463 19162 64 1 1 . 1 1 15 15 GLY N N 15 105.417 105.417 106.981 -1.564 19162 65 1 1 . 1 1 15 15 GLY C C 15 174.422 174.422 176.131 -1.709 19162 66 1 1 . 1 1 15 15 GLY CA C 15 45.605 45.605 46.369 -0.764 19162 67 1 1 . 1 1 15 15 GLY H H 15 8.020 8.020 7.558 0.462 19162 68 1 1 . 1 1 16 16 ASN N N 16 118.989 118.989 118.480 0.509 19162 69 1 1 . 1 1 16 16 ASN C C 16 175.598 175.598 176.143 -0.545 19162 70 1 1 . 1 1 16 16 ASN CA C 16 53.677 53.677 54.368 -0.691 19162 71 1 1 . 1 1 16 16 ASN CB C 16 38.621 38.621 38.370 0.251 19162 72 1 1 . 1 1 16 16 ASN H H 16 8.156 8.156 7.241 0.915 19162 73 1 1 . 1 1 17 17 HIS N N 17 119.081 119.081 119.930 -0.849 19162 74 1 1 . 1 1 17 17 HIS C C 17 176.068 176.068 174.831 1.237 19162 75 1 1 . 1 1 17 17 HIS CA C 17 56.781 56.781 56.745 0.036 19162 76 1 1 . 1 1 17 17 HIS CB C 17 29.942 29.942 27.971 1.971 19162 77 1 1 . 1 1 17 17 HIS H H 17 8.322 8.322 7.205 1.117 19162 78 1 1 . 1 1 18 18 GLY N N 18 109.543 109.543 110.607 -1.064 19162 79 1 1 . 1 1 18 18 GLY C C 18 175.206 175.206 173.549 1.657 19162 80 1 1 . 1 1 18 18 GLY CA C 18 47.054 47.054 44.486 2.568 19162 81 1 1 . 1 1 18 18 GLY H H 18 8.607 8.607 8.109 0.498 19162 82 1 1 . 1 1 19 19 PHE N N 19 120.640 120.640 124.505 -3.865 19162 83 1 1 . 1 1 19 19 PHE C C 19 176.695 176.695 175.691 1.004 19162 84 1 1 . 1 1 19 19 PHE CA C 19 60.507 60.507 58.995 1.512 19162 85 1 1 . 1 1 19 19 PHE CB C 19 38.638 38.638 38.204 0.434 19162 86 1 1 . 1 1 19 19 PHE H H 19 8.716 8.716 8.736 -0.020 19162 87 1 1 . 1 1 20 20 PHE N N 20 118.989 118.989 115.996 2.993 19162 88 1 1 . 1 1 20 20 PHE C C 20 176.617 176.617 176.953 -0.336 19162 89 1 1 . 1 1 20 20 PHE CA C 20 61.334 61.334 59.063 2.271 19162 90 1 1 . 1 1 20 20 PHE CB C 20 38.460 38.460 36.956 1.504 19162 91 1 1 . 1 1 20 20 PHE H H 20 8.143 8.143 7.130 1.013 19162 92 1 1 . 1 1 21 21 TRP N N 21 118.897 118.897 122.311 -3.414 19162 93 1 1 . 1 1 21 21 TRP C C 21 178.577 178.577 178.314 0.263 19162 94 1 1 . 1 1 21 21 TRP CA C 21 59.691 59.691 59.328 0.363 19162 95 1 1 . 1 1 21 21 TRP CB C 21 29.636 29.636 29.927 -0.291 19162 96 1 1 . 1 1 21 21 TRP H H 21 7.911 7.911 6.835 1.076 19162 97 1 1 . 1 1 22 22 GLY N N 22 105.692 105.692 106.850 -1.158 19162 98 1 1 . 1 1 22 22 GLY C C 22 174.657 174.657 175.727 -1.070 19162 99 1 1 . 1 1 22 22 GLY CA C 22 47.261 47.261 47.053 0.207 19162 100 1 1 . 1 1 22 22 GLY H H 22 8.306 8.306 7.541 0.765 19162 101 1 1 . 1 1 23 23 LEU N N 23 121.557 121.557 121.846 -0.289 19162 102 1 1 . 1 1 23 23 LEU C C 23 179.752 179.752 178.650 1.102 19162 103 1 1 . 1 1 23 23 LEU CA C 23 57.402 57.402 57.904 -0.502 19162 104 1 1 . 1 1 23 23 LEU CB C 23 40.579 40.579 41.709 -1.130 19162 105 1 1 . 1 1 23 23 LEU H H 23 7.993 7.993 7.594 0.399 19162 106 1 1 . 1 1 24 24 LEU N N 24 122.382 122.382 119.286 3.096 19162 107 1 1 . 1 1 24 24 LEU C C 24 178.185 178.185 178.417 -0.232 19162 108 1 1 . 1 1 24 24 LEU CA C 24 58.437 58.437 57.830 0.607 19162 109 1 1 . 1 1 24 24 LEU CB C 24 40.439 40.439 40.995 -0.555 19162 110 1 1 . 1 1 24 24 LEU H H 24 8.047 8.047 7.076 0.971 19162 111 1 1 . 1 1 25 25 VAL N N 25 118.255 118.255 118.704 -0.449 19162 112 1 1 . 1 1 25 25 VAL C C 25 177.636 177.636 177.837 -0.201 19162 113 1 1 . 1 1 25 25 VAL CA C 25 67.129 67.129 65.761 1.367 19162 114 1 1 . 1 1 25 25 VAL CB C 25 30.813 30.813 31.085 -0.272 19162 115 1 1 . 1 1 25 25 VAL H H 25 8.102 8.102 7.164 0.938 19162 116 1 1 . 1 1 26 26 VAL N N 26 118.072 118.072 116.479 1.593 19162 117 1 1 . 1 1 26 26 VAL C C 26 177.322 177.322 178.118 -0.796 19162 118 1 1 . 1 1 26 26 VAL CA C 26 66.686 66.686 66.946 -0.260 19162 119 1 1 . 1 1 26 26 VAL CB C 26 30.653 30.653 30.496 0.157 19162 120 1 1 . 1 1 26 26 VAL H H 26 8.088 8.088 7.376 0.712 19162 121 1 1 . 1 1 27 27 THR N N 27 116.788 116.788 118.414 -1.626 19162 122 1 1 . 1 1 27 27 THR C C 27 177.322 177.322 176.960 0.362 19162 123 1 1 . 1 1 27 27 THR CA C 27 67.750 67.750 67.230 0.520 19162 124 1 1 . 1 1 27 27 THR H H 27 8.047 8.047 7.761 0.286 19162 125 1 1 . 1 1 28 28 LEU N N 28 122.932 122.932 121.569 1.363 19162 126 1 1 . 1 1 28 28 LEU C C 28 178.499 178.499 178.743 -0.244 19162 127 1 1 . 1 1 28 28 LEU CA C 28 58.230 58.230 58.412 -0.182 19162 128 1 1 . 1 1 28 28 LEU CB C 28 40.794 40.794 41.562 -0.768 19162 129 1 1 . 1 1 28 28 LEU H H 28 8.429 8.429 7.839 0.590 19162 130 1 1 . 1 1 29 29 ALA N N 29 121.190 121.190 121.967 -0.777 19162 131 1 1 . 1 1 29 29 ALA C C 29 178.890 178.890 179.558 -0.668 19162 132 1 1 . 1 1 29 29 ALA CA C 29 55.333 55.333 54.836 0.497 19162 133 1 1 . 1 1 29 29 ALA CB C 29 17.727 17.727 18.140 -0.413 19162 134 1 1 . 1 1 29 29 ALA H H 29 8.607 8.607 7.692 0.915 19162 135 1 1 . 1 1 30 30 TRP N N 30 118.622 118.622 118.877 -0.255 19162 136 1 1 . 1 1 30 30 TRP C C 30 178.420 178.420 179.099 -0.679 19162 137 1 1 . 1 1 30 30 TRP CA C 30 60.300 60.300 60.969 -0.669 19162 138 1 1 . 1 1 30 30 TRP CB C 30 28.937 28.937 29.369 -0.432 19162 139 1 1 . 1 1 30 30 TRP H H 30 8.538 8.538 8.037 0.501 19162 140 1 1 . 1 1 31 31 HIS N N 31 117.888 117.888 119.891 -2.003 19162 141 1 1 . 1 1 31 31 HIS C C 31 177.949 177.949 177.771 0.178 19162 142 1 1 . 1 1 31 31 HIS CA C 31 59.886 59.886 60.080 -0.194 19162 143 1 1 . 1 1 31 31 HIS CB C 31 30.015 30.015 30.418 -0.403 19162 144 1 1 . 1 1 31 31 HIS H H 31 8.238 8.238 8.010 0.228 19162 145 1 1 . 1 1 32 32 VAL N N 32 116.788 116.788 115.377 1.411 19162 146 1 1 . 1 1 32 32 VAL C C 32 177.401 177.401 177.096 0.305 19162 147 1 1 . 1 1 32 32 VAL CA C 32 64.853 64.853 65.313 -0.460 19162 148 1 1 . 1 1 32 32 VAL CB C 32 30.877 30.877 30.522 0.355 19162 149 1 1 . 1 1 32 32 VAL H H 32 8.429 8.429 7.805 0.624 19162 150 1 1 . 1 1 33 33 LYS N N 33 120.548 120.548 121.340 -0.792 19162 151 1 1 . 1 1 33 33 LYS C C 33 177.636 177.636 178.816 -1.180 19162 152 1 1 . 1 1 33 33 LYS CA C 33 58.851 58.851 59.813 -0.962 19162 153 1 1 . 1 1 33 33 LYS CB C 33 31.134 31.134 31.680 -0.546 19162 154 1 1 . 1 1 33 33 LYS H H 33 8.047 8.047 7.535 0.512 19162 155 1 1 . 1 1 34 34 GLY N N 34 106.701 106.701 104.823 1.878 19162 156 1 1 . 1 1 34 34 GLY C C 34 174.814 174.814 175.762 -0.948 19162 157 1 1 . 1 1 34 34 GLY CA C 34 46.019 46.019 46.462 -0.443 19162 158 1 1 . 1 1 34 34 GLY H H 34 7.938 7.938 7.826 0.112 19162 159 1 1 . 1 1 35 35 ARG N N 35 118.164 118.164 121.032 -2.868 19162 160 1 1 . 1 1 35 35 ARG C C 35 176.460 176.460 178.330 -1.870 19162 161 1 1 . 1 1 35 35 ARG CA C 35 55.954 55.954 58.618 -2.664 19162 162 1 1 . 1 1 35 35 ARG CB C 35 29.799 29.799 30.059 -0.260 19162 163 1 1 . 1 1 35 35 ARG H H 35 7.624 7.624 7.463 0.161 19162 164 1 1 . 1 1 36 36 LEU N N 36 118.897 118.897 120.374 -1.477 19162 165 1 1 . 1 1 36 36 LEU C C 36 176.539 176.539 178.585 -2.046 19162 166 1 1 . 1 1 36 36 LEU CA C 36 55.540 55.540 57.714 -2.174 19162 167 1 1 . 1 1 36 36 LEU CB C 36 42.303 42.303 41.997 0.306 19162 168 1 1 . 1 1 36 36 LEU H H 36 7.720 7.720 8.091 -0.371 19162 169 1 1 . 1 1 37 37 VAL N N 37 118.530 118.530 118.334 0.196 19162 170 1 1 . 1 1 37 37 VAL C C 37 173.804 173.804 174.892 -1.088 19162 171 1 1 . 1 1 37 37 VAL CA C 37 59.472 59.472 67.908 -8.436 19162 172 1 1 . 1 1 37 37 VAL CB C 37 31.722 31.722 30.272 1.450 19162 173 1 1 . 1 1 37 37 VAL H H 37 7.911 7.911 7.412 0.499 19162 174 1 1 . 1 1 38 38 PRO C C 38 177.636 177.636 178.667 -1.031 19162 175 1 1 . 1 1 38 38 PRO CA C 38 63.611 63.611 65.007 -1.396 19162 176 1 1 . 1 1 38 38 PRO CB C 38 31.093 31.093 31.159 -0.066 19162 177 1 1 . 1 1 39 39 GLY N N 39 109.268 109.268 107.042 2.226 19162 178 1 1 . 1 1 39 39 GLY C C 39 174.422 174.422 174.708 -0.286 19162 179 1 1 . 1 1 39 39 GLY CA C 39 45.192 45.192 46.136 -0.944 19162 180 1 1 . 1 1 39 39 GLY H H 39 8.525 8.525 7.744 0.781 19162 181 1 1 . 1 1 40 40 ALA N N 40 123.391 123.391 122.437 0.954 19162 182 1 1 . 1 1 40 40 ALA C C 40 178.028 178.028 177.768 0.260 19162 183 1 1 . 1 1 40 40 ALA CA C 40 52.642 52.642 53.864 -1.222 19162 184 1 1 . 1 1 40 40 ALA CB C 40 18.804 18.804 18.968 -0.164 19162 185 1 1 . 1 1 40 40 ALA H H 40 7.965 7.965 7.443 0.522 19162 186 1 1 . 1 1 41 41 THR N N 41 113.028 113.028 111.804 1.224 19162 187 1 1 . 1 1 41 41 THR C C 41 175.363 175.363 173.727 1.636 19162 188 1 1 . 1 1 41 41 THR CA C 41 62.162 62.162 62.050 0.112 19162 189 1 1 . 1 1 41 41 THR CB C 41 69.467 69.467 68.783 0.684 19162 190 1 1 . 1 1 41 41 THR H H 41 8.115 8.115 7.546 0.569 19162 191 1 1 . 1 1 42 42 TYR N N 42 121.373 121.373 125.536 -4.163 19162 192 1 1 . 1 1 42 42 TYR C C 42 176.303 176.303 173.978 2.325 19162 193 1 1 . 1 1 42 42 TYR CA C 42 59.473 59.473 56.729 2.744 19162 194 1 1 . 1 1 42 42 TYR CB C 42 37.992 37.992 38.420 -0.429 19162 195 1 1 . 1 1 42 42 TYR H H 42 8.429 8.429 7.473 0.956 19162 196 1 1 . 1 1 43 43 LEU N N 43 119.906 119.906 120.948 -1.042 19162 197 1 1 . 1 1 43 43 LEU C C 43 177.405 177.405 176.391 1.014 19162 198 1 1 . 1 1 43 43 LEU CA C 43 55.540 55.540 53.717 1.823 19162 199 1 1 . 1 1 43 43 LEU CB C 43 41.455 41.455 44.294 -2.839 19162 200 1 1 . 1 1 43 43 LEU H H 43 7.899 7.899 8.372 -0.473 19162 201 1 1 . 1 1 44 44 SER N N 44 115.779 115.779 115.902 -0.123 19162 202 1 1 . 1 1 44 44 SER C C 44 175.049 175.049 173.715 1.334 19162 203 1 1 . 1 1 44 44 SER CA C 44 59.058 59.058 57.837 1.221 19162 204 1 1 . 1 1 44 44 SER CB C 44 63.649 63.649 63.071 0.578 19162 205 1 1 . 1 1 44 44 SER H H 44 7.979 7.979 8.317 -0.338 19162 206 1 1 . 1 1 45 45 LEU N N 45 122.199 122.199 126.552 -4.353 19162 207 1 1 . 1 1 45 45 LEU C C 45 177.322 177.322 178.862 -1.540 19162 208 1 1 . 1 1 45 45 LEU CA C 45 55.747 55.747 54.894 0.853 19162 209 1 1 . 1 1 45 45 LEU CB C 45 41.441 41.441 42.347 -0.906 19162 210 1 1 . 1 1 45 45 LEU H H 45 8.211 8.211 8.653 -0.442 19162 211 1 1 . 1 1 46 46 GLY N N 46 105.325 105.325 107.137 -1.812 19162 212 1 1 . 1 1 46 46 GLY C C 46 174.422 174.422 175.580 -1.158 19162 213 1 1 . 1 1 46 46 GLY CA C 46 45.812 45.812 46.730 -0.918 19162 214 1 1 . 1 1 46 46 GLY H H 46 8.129 8.129 8.644 -0.515 19162 215 1 1 . 1 1 47 47 VAL N N 47 117.063 117.063 119.131 -2.068 19162 216 1 1 . 1 1 47 47 VAL C C 47 177.087 177.087 176.979 0.108 19162 217 1 1 . 1 1 47 47 VAL CA C 47 62.783 62.783 62.760 0.023 19162 218 1 1 . 1 1 47 47 VAL CB C 47 31.524 31.524 32.386 -0.862 19162 219 1 1 . 1 1 47 47 VAL H H 47 7.897 7.897 7.605 0.292 19162 220 1 1 . 1 1 48 48 TRP N N 48 121.465 121.465 123.028 -1.563 19162 221 1 1 . 1 1 48 48 TRP C C 48 175.284 175.284 175.840 -0.556 19162 222 1 1 . 1 1 48 48 TRP CA C 48 60.921 60.921 62.652 -1.731 19162 223 1 1 . 1 1 48 48 TRP CB C 48 27.644 27.644 27.973 -0.329 19162 224 1 1 . 1 1 48 48 TRP H H 48 7.938 7.938 8.509 -0.571 19162 225 1 1 . 1 1 49 49 PRO C C 49 177.610 177.610 178.403 -0.793 19162 226 1 1 . 1 1 49 49 PRO CA C 49 65.888 65.888 65.752 0.136 19162 227 1 1 . 1 1 49 49 PRO CB C 49 30.599 30.599 31.334 -0.735 19162 228 1 1 . 1 1 50 50 LEU N N 50 115.596 115.596 119.004 -3.408 19162 229 1 1 . 1 1 50 50 LEU C C 50 179.125 179.125 179.272 -0.147 19162 230 1 1 . 1 1 50 50 LEU CA C 50 57.195 57.195 57.595 -0.400 19162 231 1 1 . 1 1 50 50 LEU CB C 50 40.579 40.579 41.697 -1.118 19162 232 1 1 . 1 1 50 50 LEU H H 50 7.215 7.215 7.953 -0.738 19162 233 1 1 . 1 1 51 51 LEU N N 51 119.906 119.906 118.591 1.315 19162 234 1 1 . 1 1 51 51 LEU C C 51 178.812 178.812 179.076 -0.264 19162 235 1 1 . 1 1 51 51 LEU CA C 51 57.402 57.402 57.808 -0.406 19162 236 1 1 . 1 1 51 51 LEU CB C 51 41.027 41.027 41.160 -0.133 19162 237 1 1 . 1 1 51 51 LEU H H 51 7.856 7.856 7.501 0.355 19162 238 1 1 . 1 1 52 52 LEU N N 52 117.980 117.980 118.716 -0.736 19162 239 1 1 . 1 1 52 52 LEU C C 52 178.655 178.655 179.388 -0.733 19162 240 1 1 . 1 1 52 52 LEU CA C 52 57.753 57.753 57.599 0.153 19162 241 1 1 . 1 1 52 52 LEU CB C 52 40.974 40.974 40.740 0.234 19162 242 1 1 . 1 1 52 52 LEU H H 52 7.965 7.965 7.386 0.579 19162 243 1 1 . 1 1 53 53 VAL N N 53 117.063 117.063 116.876 0.187 19162 244 1 1 . 1 1 53 53 VAL C C 53 177.636 177.636 177.550 0.086 19162 245 1 1 . 1 1 53 53 VAL CA C 53 66.302 66.302 65.997 0.305 19162 246 1 1 . 1 1 53 53 VAL CB C 53 30.877 30.877 31.490 -0.613 19162 247 1 1 . 1 1 53 53 VAL H H 53 7.774 7.774 8.115 -0.341 19162 248 1 1 . 1 1 54 54 ARG N N 54 118.439 118.439 120.098 -1.659 19162 249 1 1 . 1 1 54 54 ARG C C 54 178.263 178.263 177.743 0.520 19162 250 1 1 . 1 1 54 54 ARG CA C 54 58.230 58.230 59.469 -1.239 19162 251 1 1 . 1 1 54 54 ARG CB C 54 29.368 29.368 30.037 -0.669 19162 252 1 1 . 1 1 54 54 ARG H H 54 7.665 7.665 8.153 -0.488 19162 253 1 1 . 1 1 55 55 LEU N N 55 117.888 117.888 118.711 -0.823 19162 254 1 1 . 1 1 55 55 LEU C C 55 177.649 177.649 178.335 -0.686 19162 255 1 1 . 1 1 55 55 LEU CA C 55 56.521 56.521 57.216 -0.695 19162 256 1 1 . 1 1 55 55 LEU CB C 55 42.097 42.097 41.909 0.188 19162 257 1 1 . 1 1 55 55 LEU H H 55 7.789 7.789 7.513 0.276 19162 258 1 1 . 1 1 56 56 LEU N N 56 116.146 116.146 118.695 -2.549 19162 259 1 1 . 1 1 56 56 LEU C C 56 176.930 176.930 178.161 -1.231 19162 260 1 1 . 1 1 56 56 LEU CA C 56 55.333 55.333 57.129 -1.796 19162 261 1 1 . 1 1 56 56 LEU CB C 56 41.990 41.990 41.916 0.074 19162 262 1 1 . 1 1 56 56 LEU H H 56 7.693 7.693 7.263 0.430 19162 263 1 1 . 1 1 57 57 ARG N N 57 118.897 118.897 119.744 -0.847 19162 264 1 1 . 1 1 57 57 ARG C C 57 173.795 173.795 176.213 -2.418 19162 265 1 1 . 1 1 57 57 ARG CA C 57 54.919 54.919 59.749 -4.830 19162 266 1 1 . 1 1 57 57 ARG CB C 57 29.153 29.153 28.620 0.533 19162 267 1 1 . 1 1 57 57 ARG H H 57 7.856 7.856 8.068 -0.212 19162 268 1 1 . 1 1 58 58 PRO C C 58 177.009 177.009 176.527 0.482 19162 269 1 1 . 1 1 58 58 PRO CA C 58 63.611 63.611 63.652 -0.041 19162 270 1 1 . 1 1 58 58 PRO CB C 58 31.027 31.027 31.820 -0.793 19162 271 1 1 . 1 1 59 59 HIS N N 59 119.264 119.264 116.131 3.133 19162 272 1 1 . 1 1 59 59 HIS C C 59 175.520 175.520 174.262 1.258 19162 273 1 1 . 1 1 59 59 HIS CA C 59 56.574 56.574 57.280 -0.706 19162 274 1 1 . 1 1 59 59 HIS CB C 59 30.446 30.446 30.268 0.178 19162 275 1 1 . 1 1 59 59 HIS H H 59 8.375 8.375 7.953 0.422 19162 276 1 1 . 1 1 60 60 ARG N N 60 122.382 122.382 121.144 1.238 19162 277 1 1 . 1 1 60 60 ARG C C 60 175.598 175.598 175.092 0.506 19162 278 1 1 . 1 1 60 60 ARG CA C 60 55.751 55.751 55.880 -0.129 19162 279 1 1 . 1 1 60 60 ARG CB C 60 30.064 30.064 30.988 -0.924 19162 280 1 1 . 1 1 60 60 ARG H H 60 7.980 7.980 8.611 -0.631 19162 281 1 1 . 1 1 61 61 ALA N N 61 125.041 125.041 124.430 0.611 19162 282 1 1 . 1 1 61 61 ALA C C 61 177.401 177.401 177.748 -0.347 19162 283 1 1 . 1 1 61 61 ALA CA C 61 52.228 52.228 54.275 -2.047 19162 284 1 1 . 1 1 61 61 ALA CB C 61 18.804 18.804 18.227 0.578 19162 285 1 1 . 1 1 61 61 ALA H H 61 8.320 8.320 8.842 -0.522 19162 286 1 1 . 1 1 62 62 LEU N N 62 121.281 121.281 119.885 1.396 19162 287 1 1 . 1 1 62 62 LEU C C 62 175.911 175.911 177.219 -1.308 19162 288 1 1 . 1 1 62 62 LEU CA C 62 54.919 54.919 53.885 1.034 19162 289 1 1 . 1 1 62 62 LEU CB C 62 41.657 41.657 40.433 1.224 19162 290 1 1 . 1 1 62 62 LEU H H 62 8.115 8.115 7.881 0.234 19162 291 1 2 . 1 1 2 2 ALA C C 2 178.255 178.255 176.837 1.418 19162 292 1 2 . 1 1 2 2 ALA CA C 2 53.263 53.263 53.146 0.117 19162 293 1 2 . 1 1 2 2 ALA CB C 2 18.411 18.411 18.731 -0.320 19162 294 1 2 . 1 1 3 3 LYS N N 3 119.081 119.081 119.431 -0.350 19162 295 1 2 . 1 1 3 3 LYS C C 3 176.752 176.752 175.055 1.697 19162 296 1 2 . 1 1 3 3 LYS CA C 3 57.816 57.816 56.124 1.692 19162 297 1 2 . 1 1 3 3 LYS CB C 3 31.751 31.751 32.477 -0.726 19162 298 1 2 . 1 1 3 3 LYS H H 3 8.607 8.607 8.135 0.472 19162 299 1 2 . 1 1 4 4 ASN N N 4 118.255 118.255 118.308 -0.053 19162 300 1 2 . 1 1 4 4 ASN C C 4 176.029 176.029 176.079 -0.050 19162 301 1 2 . 1 1 4 4 ASN CA C 4 54.712 54.712 54.264 0.448 19162 302 1 2 . 1 1 4 4 ASN CB C 4 38.244 38.244 40.259 -2.015 19162 303 1 2 . 1 1 4 4 ASN H H 4 8.185 8.185 8.399 -0.214 19162 304 1 2 . 1 1 5 5 VAL N N 5 119.998 119.998 120.697 -0.699 19162 305 1 2 . 1 1 5 5 VAL C C 5 177.259 177.259 177.842 -0.583 19162 306 1 2 . 1 1 5 5 VAL CA C 5 64.232 64.232 66.220 -1.988 19162 307 1 2 . 1 1 5 5 VAL CB C 5 31.524 31.524 31.538 -0.014 19162 308 1 2 . 1 1 5 5 VAL H H 5 7.857 7.857 8.056 -0.199 19162 309 1 2 . 1 1 6 6 ILE N N 6 122.474 122.474 118.385 4.089 19162 310 1 2 . 1 1 6 6 ILE C C 6 177.009 177.009 177.886 -0.877 19162 311 1 2 . 1 1 6 6 ILE CA C 6 63.400 63.400 64.865 -1.465 19162 312 1 2 . 1 1 6 6 ILE CB C 6 37.177 37.177 36.925 0.252 19162 313 1 2 . 1 1 6 6 ILE H H 6 8.062 8.062 8.004 0.058 19162 314 1 2 . 1 1 7 7 VAL N N 7 120.915 120.915 119.483 1.432 19162 315 1 2 . 1 1 7 7 VAL C C 7 177.009 177.009 178.443 -1.434 19162 316 1 2 . 1 1 7 7 VAL CA C 7 65.017 65.017 66.036 -1.019 19162 317 1 2 . 1 1 7 7 VAL CB C 7 31.309 31.309 30.759 0.550 19162 318 1 2 . 1 1 7 7 VAL H H 7 7.993 7.993 7.740 0.253 19162 319 1 2 . 1 1 8 8 LEU N N 8 121.098 121.098 120.286 0.812 19162 320 1 2 . 1 1 8 8 LEU C C 8 178.655 178.655 178.773 -0.118 19162 321 1 2 . 1 1 8 8 LEU CA C 8 56.781 56.781 58.624 -1.843 19162 322 1 2 . 1 1 8 8 LEU CB C 8 41.010 41.010 41.217 -0.207 19162 323 1 2 . 1 1 8 8 LEU H H 8 8.061 8.061 7.892 0.169 19162 324 1 2 . 1 1 9 9 ASN N N 9 118.347 118.347 117.301 1.046 19162 325 1 2 . 1 1 9 9 ASN C C 9 176.695 176.695 177.135 -0.440 19162 326 1 2 . 1 1 9 9 ASN CA C 9 54.919 54.919 56.037 -1.118 19162 327 1 2 . 1 1 9 9 ASN CB C 9 38.674 38.674 38.030 0.644 19162 328 1 2 . 1 1 9 9 ASN H H 9 8.102 8.102 7.553 0.549 19162 329 1 2 . 1 1 10 10 ALA N N 10 124.124 124.124 122.224 1.900 19162 330 1 2 . 1 1 10 10 ALA C C 10 178.263 178.263 179.133 -0.870 19162 331 1 2 . 1 1 10 10 ALA CA C 10 54.505 54.505 55.091 -0.586 19162 332 1 2 . 1 1 10 10 ALA CB C 10 17.942 17.942 18.346 -0.404 19162 333 1 2 . 1 1 10 10 ALA H H 10 8.388 8.388 7.597 0.791 19162 334 1 2 . 1 1 11 11 ALA N N 11 119.814 119.814 119.680 0.134 19162 335 1 2 . 1 1 11 11 ALA C C 11 179.204 179.204 179.343 -0.139 19162 336 1 2 . 1 1 11 11 ALA CA C 11 54.298 54.298 55.198 -0.900 19162 337 1 2 . 1 1 11 11 ALA CB C 11 17.942 17.942 18.056 -0.114 19162 338 1 2 . 1 1 11 11 ALA H H 11 8.279 8.279 7.846 0.433 19162 339 1 2 . 1 1 12 12 SER N N 12 113.303 113.303 114.451 -1.148 19162 340 1 2 . 1 1 12 12 SER C C 12 175.873 175.873 176.496 -0.623 19162 341 1 2 . 1 1 12 12 SER CA C 12 60.140 60.140 60.981 -0.841 19162 342 1 2 . 1 1 12 12 SER CB C 12 63.221 63.221 62.856 0.365 19162 343 1 2 . 1 1 12 12 SER H H 12 7.952 7.952 7.355 0.597 19162 344 1 2 . 1 1 13 13 ALA N N 13 124.308 124.308 123.821 0.487 19162 345 1 2 . 1 1 13 13 ALA C C 13 178.420 178.420 178.532 -0.112 19162 346 1 2 . 1 1 13 13 ALA CA C 13 53.470 53.470 54.554 -1.084 19162 347 1 2 . 1 1 13 13 ALA CB C 13 18.373 18.373 18.117 0.256 19162 348 1 2 . 1 1 13 13 ALA H H 13 7.924 7.924 7.586 0.338 19162 349 1 2 . 1 1 14 14 ALA N N 14 119.998 119.998 120.861 -0.863 19162 350 1 2 . 1 1 14 14 ALA C C 14 178.420 178.420 179.557 -1.137 19162 351 1 2 . 1 1 14 14 ALA CA C 14 53.263 53.263 54.088 -0.825 19162 352 1 2 . 1 1 14 14 ALA CB C 14 18.373 18.373 18.213 0.160 19162 353 1 2 . 1 1 14 14 ALA H H 14 7.965 7.965 7.575 0.390 19162 354 1 2 . 1 1 15 15 GLY N N 15 105.417 105.417 107.421 -2.004 19162 355 1 2 . 1 1 15 15 GLY C C 15 174.422 174.422 176.011 -1.589 19162 356 1 2 . 1 1 15 15 GLY CA C 15 45.605 45.605 46.082 -0.477 19162 357 1 2 . 1 1 15 15 GLY H H 15 8.020 8.020 7.575 0.445 19162 358 1 2 . 1 1 16 16 ASN N N 16 118.989 118.989 119.584 -0.595 19162 359 1 2 . 1 1 16 16 ASN C C 16 175.598 175.598 176.176 -0.578 19162 360 1 2 . 1 1 16 16 ASN CA C 16 53.677 53.677 54.587 -0.910 19162 361 1 2 . 1 1 16 16 ASN CB C 16 38.621 38.621 38.779 -0.158 19162 362 1 2 . 1 1 16 16 ASN H H 16 8.156 8.156 7.240 0.916 19162 363 1 2 . 1 1 17 17 HIS N N 17 119.081 119.081 119.621 -0.540 19162 364 1 2 . 1 1 17 17 HIS C C 17 176.068 176.068 174.676 1.392 19162 365 1 2 . 1 1 17 17 HIS CA C 17 56.781 56.781 56.789 -0.008 19162 366 1 2 . 1 1 17 17 HIS CB C 17 29.942 29.942 28.319 1.623 19162 367 1 2 . 1 1 17 17 HIS H H 17 8.322 8.322 7.268 1.054 19162 368 1 2 . 1 1 18 18 GLY N N 18 109.543 109.543 110.966 -1.423 19162 369 1 2 . 1 1 18 18 GLY C C 18 175.206 175.206 173.629 1.577 19162 370 1 2 . 1 1 18 18 GLY CA C 18 47.054 47.054 44.624 2.430 19162 371 1 2 . 1 1 18 18 GLY H H 18 8.607 8.607 7.907 0.700 19162 372 1 2 . 1 1 19 19 PHE N N 19 120.640 120.640 124.588 -3.948 19162 373 1 2 . 1 1 19 19 PHE C C 19 176.695 176.695 175.765 0.930 19162 374 1 2 . 1 1 19 19 PHE CA C 19 60.507 60.507 59.193 1.314 19162 375 1 2 . 1 1 19 19 PHE CB C 19 38.638 38.638 38.290 0.348 19162 376 1 2 . 1 1 19 19 PHE H H 19 8.716 8.716 8.796 -0.080 19162 377 1 2 . 1 1 20 20 PHE N N 20 118.989 118.989 116.094 2.895 19162 378 1 2 . 1 1 20 20 PHE C C 20 176.617 176.617 176.856 -0.239 19162 379 1 2 . 1 1 20 20 PHE CA C 20 61.334 61.334 59.107 2.227 19162 380 1 2 . 1 1 20 20 PHE CB C 20 38.460 38.460 37.027 1.433 19162 381 1 2 . 1 1 20 20 PHE H H 20 8.143 8.143 7.218 0.925 19162 382 1 2 . 1 1 21 21 TRP N N 21 118.897 118.897 122.135 -3.238 19162 383 1 2 . 1 1 21 21 TRP C C 21 178.577 178.577 178.250 0.327 19162 384 1 2 . 1 1 21 21 TRP CA C 21 59.691 59.691 59.188 0.503 19162 385 1 2 . 1 1 21 21 TRP CB C 21 29.636 29.636 29.807 -0.171 19162 386 1 2 . 1 1 21 21 TRP H H 21 7.911 7.911 6.494 1.417 19162 387 1 2 . 1 1 22 22 GLY N N 22 105.692 105.692 106.750 -1.058 19162 388 1 2 . 1 1 22 22 GLY C C 22 174.657 174.657 175.759 -1.102 19162 389 1 2 . 1 1 22 22 GLY CA C 22 47.261 47.261 47.083 0.178 19162 390 1 2 . 1 1 22 22 GLY H H 22 8.306 8.306 7.575 0.731 19162 391 1 2 . 1 1 23 23 LEU N N 23 121.557 121.557 121.852 -0.295 19162 392 1 2 . 1 1 23 23 LEU C C 23 179.752 179.752 178.665 1.087 19162 393 1 2 . 1 1 23 23 LEU CA C 23 57.402 57.402 57.924 -0.522 19162 394 1 2 . 1 1 23 23 LEU CB C 23 40.579 40.579 41.712 -1.133 19162 395 1 2 . 1 1 23 23 LEU H H 23 7.993 7.993 7.549 0.444 19162 396 1 2 . 1 1 24 24 LEU N N 24 122.382 122.382 119.372 3.010 19162 397 1 2 . 1 1 24 24 LEU C C 24 178.185 178.185 178.541 -0.356 19162 398 1 2 . 1 1 24 24 LEU CA C 24 58.437 58.437 57.749 0.688 19162 399 1 2 . 1 1 24 24 LEU CB C 24 40.439 40.439 41.051 -0.612 19162 400 1 2 . 1 1 24 24 LEU H H 24 8.047 8.047 7.079 0.968 19162 401 1 2 . 1 1 25 25 VAL N N 25 118.255 118.255 118.538 -0.283 19162 402 1 2 . 1 1 25 25 VAL C C 25 177.636 177.636 177.588 0.048 19162 403 1 2 . 1 1 25 25 VAL CA C 25 67.129 67.129 66.421 0.708 19162 404 1 2 . 1 1 25 25 VAL CB C 25 30.813 30.813 31.618 -0.805 19162 405 1 2 . 1 1 25 25 VAL H H 25 8.102 8.102 7.035 1.067 19162 406 1 2 . 1 1 26 26 VAL N N 26 118.072 118.072 119.105 -1.033 19162 407 1 2 . 1 1 26 26 VAL C C 26 177.322 177.322 178.202 -0.880 19162 408 1 2 . 1 1 26 26 VAL CA C 26 66.686 66.686 66.820 -0.134 19162 409 1 2 . 1 1 26 26 VAL CB C 26 30.653 30.653 31.351 -0.698 19162 410 1 2 . 1 1 26 26 VAL H H 26 8.088 8.088 7.398 0.690 19162 411 1 2 . 1 1 27 27 THR N N 27 116.788 116.788 117.273 -0.485 19162 412 1 2 . 1 1 27 27 THR C C 27 177.322 177.322 176.783 0.539 19162 413 1 2 . 1 1 27 27 THR CA C 27 67.750 67.750 67.046 0.704 19162 414 1 2 . 1 1 27 27 THR H H 27 8.047 8.047 8.011 0.036 19162 415 1 2 . 1 1 28 28 LEU N N 28 122.932 122.932 122.667 0.265 19162 416 1 2 . 1 1 28 28 LEU C C 28 178.499 178.499 177.684 0.815 19162 417 1 2 . 1 1 28 28 LEU CA C 28 58.230 58.230 57.987 0.243 19162 418 1 2 . 1 1 28 28 LEU CB C 28 40.794 40.794 41.460 -0.666 19162 419 1 2 . 1 1 28 28 LEU H H 28 8.429 8.429 8.005 0.424 19162 420 1 2 . 1 1 29 29 ALA N N 29 121.190 121.190 121.887 -0.697 19162 421 1 2 . 1 1 29 29 ALA C C 29 178.890 178.890 179.195 -0.305 19162 422 1 2 . 1 1 29 29 ALA CA C 29 55.333 55.333 54.886 0.447 19162 423 1 2 . 1 1 29 29 ALA CB C 29 17.727 17.727 18.131 -0.404 19162 424 1 2 . 1 1 29 29 ALA H H 29 8.607 8.607 7.579 1.028 19162 425 1 2 . 1 1 30 30 TRP N N 30 118.622 118.622 118.769 -0.147 19162 426 1 2 . 1 1 30 30 TRP C C 30 178.420 178.420 179.008 -0.588 19162 427 1 2 . 1 1 30 30 TRP CA C 30 60.300 60.300 60.731 -0.431 19162 428 1 2 . 1 1 30 30 TRP CB C 30 28.937 28.937 29.519 -0.582 19162 429 1 2 . 1 1 30 30 TRP H H 30 8.538 8.538 7.667 0.871 19162 430 1 2 . 1 1 31 31 HIS N N 31 117.888 117.888 120.175 -2.287 19162 431 1 2 . 1 1 31 31 HIS C C 31 177.949 177.949 177.597 0.352 19162 432 1 2 . 1 1 31 31 HIS CA C 31 59.886 59.886 60.353 -0.467 19162 433 1 2 . 1 1 31 31 HIS CB C 31 30.015 30.015 30.136 -0.121 19162 434 1 2 . 1 1 31 31 HIS H H 31 8.238 8.238 8.103 0.135 19162 435 1 2 . 1 1 32 32 VAL N N 32 116.788 116.788 115.712 1.076 19162 436 1 2 . 1 1 32 32 VAL C C 32 177.401 177.401 176.993 0.408 19162 437 1 2 . 1 1 32 32 VAL CA C 32 64.853 64.853 64.352 0.501 19162 438 1 2 . 1 1 32 32 VAL CB C 32 30.877 30.877 30.285 0.593 19162 439 1 2 . 1 1 32 32 VAL H H 32 8.429 8.429 7.693 0.736 19162 440 1 2 . 1 1 33 33 LYS N N 33 120.548 120.548 121.619 -1.071 19162 441 1 2 . 1 1 33 33 LYS C C 33 177.636 177.636 179.098 -1.462 19162 442 1 2 . 1 1 33 33 LYS CA C 33 58.851 58.851 60.282 -1.431 19162 443 1 2 . 1 1 33 33 LYS CB C 33 31.134 31.134 31.660 -0.526 19162 444 1 2 . 1 1 33 33 LYS H H 33 8.047 8.047 7.738 0.309 19162 445 1 2 . 1 1 34 34 GLY N N 34 106.701 106.701 105.015 1.686 19162 446 1 2 . 1 1 34 34 GLY C C 34 174.814 174.814 175.976 -1.162 19162 447 1 2 . 1 1 34 34 GLY CA C 34 46.019 46.019 46.465 -0.446 19162 448 1 2 . 1 1 34 34 GLY H H 34 7.938 7.938 8.067 -0.129 19162 449 1 2 . 1 1 35 35 ARG N N 35 118.164 118.164 122.038 -3.874 19162 450 1 2 . 1 1 35 35 ARG C C 35 176.460 176.460 178.079 -1.619 19162 451 1 2 . 1 1 35 35 ARG CA C 35 55.954 55.954 58.403 -2.449 19162 452 1 2 . 1 1 35 35 ARG CB C 35 29.799 29.799 30.114 -0.315 19162 453 1 2 . 1 1 35 35 ARG H H 35 7.624 7.624 7.587 0.037 19162 454 1 2 . 1 1 36 36 LEU N N 36 118.897 118.897 119.278 -0.381 19162 455 1 2 . 1 1 36 36 LEU C C 36 176.539 176.539 178.547 -2.008 19162 456 1 2 . 1 1 36 36 LEU CA C 36 55.540 55.540 57.902 -2.362 19162 457 1 2 . 1 1 36 36 LEU CB C 36 42.303 42.303 42.054 0.249 19162 458 1 2 . 1 1 36 36 LEU H H 36 7.720 7.720 8.238 -0.518 19162 459 1 2 . 1 1 37 37 VAL N N 37 118.530 118.530 117.589 0.941 19162 460 1 2 . 1 1 37 37 VAL C C 37 173.804 173.804 175.304 -1.500 19162 461 1 2 . 1 1 37 37 VAL CA C 37 59.472 59.472 67.841 -8.369 19162 462 1 2 . 1 1 37 37 VAL CB C 37 31.722 31.722 29.180 2.542 19162 463 1 2 . 1 1 37 37 VAL H H 37 7.911 7.911 7.448 0.463 19162 464 1 2 . 1 1 38 38 PRO C C 38 177.636 177.636 179.122 -1.486 19162 465 1 2 . 1 1 38 38 PRO CA C 38 63.611 63.611 65.299 -1.688 19162 466 1 2 . 1 1 38 38 PRO CB C 38 31.093 31.093 31.279 -0.186 19162 467 1 2 . 1 1 39 39 GLY N N 39 109.268 109.268 107.261 2.007 19162 468 1 2 . 1 1 39 39 GLY C C 39 174.422 174.422 174.894 -0.472 19162 469 1 2 . 1 1 39 39 GLY CA C 39 45.192 45.192 46.549 -1.357 19162 470 1 2 . 1 1 39 39 GLY H H 39 8.525 8.525 7.713 0.812 19162 471 1 2 . 1 1 40 40 ALA N N 40 123.391 123.391 122.774 0.617 19162 472 1 2 . 1 1 40 40 ALA C C 40 178.028 178.028 177.827 0.201 19162 473 1 2 . 1 1 40 40 ALA CA C 40 52.642 52.642 53.842 -1.200 19162 474 1 2 . 1 1 40 40 ALA CB C 40 18.804 18.804 19.066 -0.262 19162 475 1 2 . 1 1 40 40 ALA H H 40 7.965 7.965 7.471 0.494 19162 476 1 2 . 1 1 41 41 THR N N 41 113.028 113.028 112.875 0.153 19162 477 1 2 . 1 1 41 41 THR C C 41 175.363 175.363 173.807 1.556 19162 478 1 2 . 1 1 41 41 THR CA C 41 62.162 62.162 62.084 0.078 19162 479 1 2 . 1 1 41 41 THR CB C 41 69.467 69.467 68.538 0.929 19162 480 1 2 . 1 1 41 41 THR H H 41 8.115 8.115 7.637 0.478 19162 481 1 2 . 1 1 42 42 TYR N N 42 121.373 121.373 126.349 -4.976 19162 482 1 2 . 1 1 42 42 TYR C C 42 176.303 176.303 174.097 2.206 19162 483 1 2 . 1 1 42 42 TYR CA C 42 59.473 59.473 56.797 2.676 19162 484 1 2 . 1 1 42 42 TYR CB C 42 37.992 37.992 38.242 -0.250 19162 485 1 2 . 1 1 42 42 TYR H H 42 8.429 8.429 7.311 1.118 19162 486 1 2 . 1 1 43 43 LEU N N 43 119.906 119.906 122.851 -2.945 19162 487 1 2 . 1 1 43 43 LEU C C 43 177.405 177.405 176.206 1.199 19162 488 1 2 . 1 1 43 43 LEU CA C 43 55.540 55.540 54.625 0.915 19162 489 1 2 . 1 1 43 43 LEU CB C 43 41.455 41.455 43.488 -2.033 19162 490 1 2 . 1 1 43 43 LEU H H 43 7.899 7.899 8.456 -0.557 19162 491 1 2 . 1 1 44 44 SER N N 44 115.779 115.779 120.119 -4.340 19162 492 1 2 . 1 1 44 44 SER C C 44 175.049 175.049 174.769 0.280 19162 493 1 2 . 1 1 44 44 SER CA C 44 59.058 59.058 58.834 0.224 19162 494 1 2 . 1 1 44 44 SER CB C 44 63.649 63.649 63.684 -0.035 19162 495 1 2 . 1 1 44 44 SER H H 44 7.979 7.979 8.361 -0.382 19162 496 1 2 . 1 1 45 45 LEU N N 45 122.199 122.199 129.008 -6.809 19162 497 1 2 . 1 1 45 45 LEU C C 45 177.322 177.322 178.777 -1.455 19162 498 1 2 . 1 1 45 45 LEU CA C 45 55.747 55.747 55.593 0.154 19162 499 1 2 . 1 1 45 45 LEU CB C 45 41.441 41.441 42.216 -0.775 19162 500 1 2 . 1 1 45 45 LEU H H 45 8.211 8.211 8.915 -0.704 19162 501 1 2 . 1 1 46 46 GLY N N 46 105.325 105.325 108.447 -3.122 19162 502 1 2 . 1 1 46 46 GLY C C 46 174.422 174.422 174.701 -0.279 19162 503 1 2 . 1 1 46 46 GLY CA C 46 45.812 45.812 45.578 0.234 19162 504 1 2 . 1 1 46 46 GLY H H 46 8.129 8.129 8.494 -0.365 19162 505 1 2 . 1 1 47 47 VAL N N 47 117.063 117.063 118.808 -1.745 19162 506 1 2 . 1 1 47 47 VAL C C 47 177.087 177.087 175.830 1.257 19162 507 1 2 . 1 1 47 47 VAL CA C 47 62.783 62.783 62.453 0.330 19162 508 1 2 . 1 1 47 47 VAL CB C 47 31.524 31.524 32.265 -0.741 19162 509 1 2 . 1 1 47 47 VAL H H 47 7.897 7.897 7.610 0.287 19162 510 1 2 . 1 1 48 48 TRP N N 48 121.465 121.465 123.361 -1.896 19162 511 1 2 . 1 1 48 48 TRP C C 48 175.284 175.284 175.322 -0.038 19162 512 1 2 . 1 1 48 48 TRP CA C 48 60.921 60.921 61.530 -0.609 19162 513 1 2 . 1 1 48 48 TRP CB C 48 27.644 27.644 27.507 0.137 19162 514 1 2 . 1 1 48 48 TRP H H 48 7.938 7.938 8.513 -0.575 19162 515 1 2 . 1 1 49 49 PRO C C 49 177.610 177.610 178.232 -0.622 19162 516 1 2 . 1 1 49 49 PRO CA C 49 65.888 65.888 64.588 1.300 19162 517 1 2 . 1 1 49 49 PRO CB C 49 30.599 30.599 31.122 -0.523 19162 518 1 2 . 1 1 50 50 LEU N N 50 115.596 115.596 119.336 -3.740 19162 519 1 2 . 1 1 50 50 LEU C C 50 179.125 179.125 179.036 0.089 19162 520 1 2 . 1 1 50 50 LEU CA C 50 57.195 57.195 57.276 -0.081 19162 521 1 2 . 1 1 50 50 LEU CB C 50 40.579 40.579 41.183 -0.604 19162 522 1 2 . 1 1 50 50 LEU H H 50 7.215 7.215 7.917 -0.702 19162 523 1 2 . 1 1 51 51 LEU N N 51 119.906 119.906 118.107 1.799 19162 524 1 2 . 1 1 51 51 LEU C C 51 178.812 178.812 179.263 -0.451 19162 525 1 2 . 1 1 51 51 LEU CA C 51 57.402 57.402 57.632 -0.230 19162 526 1 2 . 1 1 51 51 LEU CB C 51 41.027 41.027 41.007 0.020 19162 527 1 2 . 1 1 51 51 LEU H H 51 7.856 7.856 7.434 0.422 19162 528 1 2 . 1 1 52 52 LEU N N 52 117.980 117.980 118.466 -0.486 19162 529 1 2 . 1 1 52 52 LEU C C 52 178.655 178.655 179.117 -0.462 19162 530 1 2 . 1 1 52 52 LEU CA C 52 57.753 57.753 57.564 0.189 19162 531 1 2 . 1 1 52 52 LEU CB C 52 40.974 40.974 40.988 -0.014 19162 532 1 2 . 1 1 52 52 LEU H H 52 7.965 7.965 7.288 0.677 19162 533 1 2 . 1 1 53 53 VAL N N 53 117.063 117.063 117.488 -0.425 19162 534 1 2 . 1 1 53 53 VAL C C 53 177.636 177.636 177.741 -0.105 19162 535 1 2 . 1 1 53 53 VAL CA C 53 66.302 66.302 65.873 0.429 19162 536 1 2 . 1 1 53 53 VAL CB C 53 30.877 30.877 30.922 -0.045 19162 537 1 2 . 1 1 53 53 VAL H H 53 7.774 7.774 7.444 0.330 19162 538 1 2 . 1 1 54 54 ARG N N 54 118.439 118.439 119.644 -1.205 19162 539 1 2 . 1 1 54 54 ARG C C 54 178.263 178.263 178.868 -0.605 19162 540 1 2 . 1 1 54 54 ARG CA C 54 58.230 58.230 59.276 -1.046 19162 541 1 2 . 1 1 54 54 ARG CB C 54 29.368 29.368 29.869 -0.501 19162 542 1 2 . 1 1 54 54 ARG H H 54 7.665 7.665 7.504 0.161 19162 543 1 2 . 1 1 55 55 LEU N N 55 117.888 117.888 119.471 -1.583 19162 544 1 2 . 1 1 55 55 LEU C C 55 177.649 177.649 178.657 -1.008 19162 545 1 2 . 1 1 55 55 LEU CA C 55 56.521 56.521 57.251 -0.730 19162 546 1 2 . 1 1 55 55 LEU CB C 55 42.097 42.097 41.354 0.743 19162 547 1 2 . 1 1 55 55 LEU H H 55 7.789 7.789 7.583 0.206 19162 548 1 2 . 1 1 56 56 LEU N N 56 116.146 116.146 119.017 -2.871 19162 549 1 2 . 1 1 56 56 LEU C C 56 176.930 176.930 178.427 -1.497 19162 550 1 2 . 1 1 56 56 LEU CA C 56 55.333 55.333 57.130 -1.796 19162 551 1 2 . 1 1 56 56 LEU CB C 56 41.990 41.990 42.011 -0.021 19162 552 1 2 . 1 1 56 56 LEU H H 56 7.693 7.693 7.334 0.359 19162 553 1 2 . 1 1 57 57 ARG N N 57 118.897 118.897 120.081 -1.184 19162 554 1 2 . 1 1 57 57 ARG C C 57 173.795 173.795 176.071 -2.276 19162 555 1 2 . 1 1 57 57 ARG CA C 57 54.919 54.919 59.627 -4.708 19162 556 1 2 . 1 1 57 57 ARG CB C 57 29.153 29.153 28.613 0.540 19162 557 1 2 . 1 1 57 57 ARG H H 57 7.856 7.856 8.293 -0.437 19162 558 1 2 . 1 1 58 58 PRO C C 58 177.009 177.009 176.580 0.429 19162 559 1 2 . 1 1 58 58 PRO CA C 58 63.611 63.611 63.614 -0.003 19162 560 1 2 . 1 1 58 58 PRO CB C 58 31.027 31.027 31.725 -0.698 19162 561 1 2 . 1 1 59 59 HIS N N 59 119.264 119.264 116.958 2.306 19162 562 1 2 . 1 1 59 59 HIS C C 59 175.520 175.520 174.113 1.407 19162 563 1 2 . 1 1 59 59 HIS CA C 59 56.574 56.574 57.369 -0.795 19162 564 1 2 . 1 1 59 59 HIS CB C 59 30.446 30.446 30.436 0.010 19162 565 1 2 . 1 1 59 59 HIS H H 59 8.375 8.375 8.022 0.353 19162 566 1 2 . 1 1 60 60 ARG N N 60 122.382 122.382 120.606 1.776 19162 567 1 2 . 1 1 60 60 ARG C C 60 175.598 175.598 173.835 1.763 19162 568 1 2 . 1 1 60 60 ARG CA C 60 55.751 55.751 55.818 -0.067 19162 569 1 2 . 1 1 60 60 ARG CB C 60 30.064 30.064 31.792 -1.728 19162 570 1 2 . 1 1 60 60 ARG H H 60 7.980 7.980 8.077 -0.097 19162 571 1 2 . 1 1 61 61 ALA N N 61 125.041 125.041 124.713 0.328 19162 572 1 2 . 1 1 61 61 ALA C C 61 177.401 177.401 176.418 0.983 19162 573 1 2 . 1 1 61 61 ALA CA C 61 52.228 52.228 52.318 -0.090 19162 574 1 2 . 1 1 61 61 ALA CB C 61 18.804 18.804 19.095 -0.291 19162 575 1 2 . 1 1 61 61 ALA H H 61 8.320 8.320 8.555 -0.235 19162 576 1 2 . 1 1 62 62 LEU N N 62 121.281 121.281 120.806 0.475 19162 577 1 2 . 1 1 62 62 LEU C C 62 175.911 175.911 177.474 -1.563 19162 578 1 2 . 1 1 62 62 LEU CA C 62 54.919 54.919 54.698 0.221 19162 579 1 2 . 1 1 62 62 LEU CB C 62 41.657 41.657 41.745 -0.087 19162 580 1 2 . 1 1 62 62 LEU H H 62 8.115 8.115 7.808 0.307 19162 581 1 3 . 1 1 2 2 ALA C C 2 178.255 178.255 177.552 0.703 19162 582 1 3 . 1 1 2 2 ALA CA C 2 53.263 53.263 52.333 0.930 19162 583 1 3 . 1 1 2 2 ALA CB C 2 18.411 18.411 19.448 -1.037 19162 584 1 3 . 1 1 3 3 LYS N N 3 119.081 119.081 119.195 -0.114 19162 585 1 3 . 1 1 3 3 LYS C C 3 176.752 176.752 177.470 -0.718 19162 586 1 3 . 1 1 3 3 LYS CA C 3 57.816 57.816 57.185 0.631 19162 587 1 3 . 1 1 3 3 LYS CB C 3 31.751 31.751 33.047 -1.296 19162 588 1 3 . 1 1 3 3 LYS H H 3 8.607 8.607 8.404 0.203 19162 589 1 3 . 1 1 4 4 ASN N N 4 118.255 118.255 119.082 -0.827 19162 590 1 3 . 1 1 4 4 ASN C C 4 176.029 176.029 177.011 -0.982 19162 591 1 3 . 1 1 4 4 ASN CA C 4 54.712 54.712 55.967 -1.255 19162 592 1 3 . 1 1 4 4 ASN CB C 4 38.244 38.244 37.895 0.349 19162 593 1 3 . 1 1 4 4 ASN H H 4 8.185 8.185 8.685 -0.500 19162 594 1 3 . 1 1 5 5 VAL N N 5 119.998 119.998 117.865 2.133 19162 595 1 3 . 1 1 5 5 VAL C C 5 177.259 177.259 177.925 -0.666 19162 596 1 3 . 1 1 5 5 VAL CA C 5 64.232 64.232 65.328 -1.096 19162 597 1 3 . 1 1 5 5 VAL CB C 5 31.524 31.524 31.042 0.482 19162 598 1 3 . 1 1 5 5 VAL H H 5 7.857 7.857 7.876 -0.019 19162 599 1 3 . 1 1 6 6 ILE N N 6 122.474 122.474 119.833 2.641 19162 600 1 3 . 1 1 6 6 ILE C C 6 177.009 177.009 178.197 -1.188 19162 601 1 3 . 1 1 6 6 ILE CA C 6 63.400 63.400 64.736 -1.336 19162 602 1 3 . 1 1 6 6 ILE CB C 6 37.177 37.177 37.333 -0.156 19162 603 1 3 . 1 1 6 6 ILE H H 6 8.062 8.062 7.124 0.938 19162 604 1 3 . 1 1 7 7 VAL N N 7 120.915 120.915 119.761 1.154 19162 605 1 3 . 1 1 7 7 VAL C C 7 177.009 177.009 177.735 -0.726 19162 606 1 3 . 1 1 7 7 VAL CA C 7 65.017 65.017 67.002 -1.985 19162 607 1 3 . 1 1 7 7 VAL CB C 7 31.309 31.309 31.169 0.140 19162 608 1 3 . 1 1 7 7 VAL H H 7 7.993 7.993 8.371 -0.378 19162 609 1 3 . 1 1 8 8 LEU N N 8 121.098 121.098 119.815 1.283 19162 610 1 3 . 1 1 8 8 LEU C C 8 178.655 178.655 178.842 -0.187 19162 611 1 3 . 1 1 8 8 LEU CA C 8 56.781 56.781 58.109 -1.328 19162 612 1 3 . 1 1 8 8 LEU CB C 8 41.010 41.010 41.360 -0.350 19162 613 1 3 . 1 1 8 8 LEU H H 8 8.061 8.061 7.644 0.417 19162 614 1 3 . 1 1 9 9 ASN N N 9 118.347 118.347 117.487 0.860 19162 615 1 3 . 1 1 9 9 ASN C C 9 176.695 176.695 177.206 -0.511 19162 616 1 3 . 1 1 9 9 ASN CA C 9 54.919 54.919 56.368 -1.449 19162 617 1 3 . 1 1 9 9 ASN CB C 9 38.674 38.674 38.410 0.264 19162 618 1 3 . 1 1 9 9 ASN H H 9 8.102 8.102 7.652 0.450 19162 619 1 3 . 1 1 10 10 ALA N N 10 124.124 124.124 121.873 2.251 19162 620 1 3 . 1 1 10 10 ALA C C 10 178.263 178.263 179.389 -1.126 19162 621 1 3 . 1 1 10 10 ALA CA C 10 54.505 54.505 54.949 -0.444 19162 622 1 3 . 1 1 10 10 ALA CB C 10 17.942 17.942 18.117 -0.175 19162 623 1 3 . 1 1 10 10 ALA H H 10 8.388 8.388 7.676 0.712 19162 624 1 3 . 1 1 11 11 ALA N N 11 119.814 119.814 119.844 -0.030 19162 625 1 3 . 1 1 11 11 ALA C C 11 179.204 179.204 179.471 -0.267 19162 626 1 3 . 1 1 11 11 ALA CA C 11 54.298 54.298 55.167 -0.869 19162 627 1 3 . 1 1 11 11 ALA CB C 11 17.942 17.942 17.969 -0.027 19162 628 1 3 . 1 1 11 11 ALA H H 11 8.279 8.279 7.883 0.396 19162 629 1 3 . 1 1 12 12 SER N N 12 113.303 113.303 114.664 -1.361 19162 630 1 3 . 1 1 12 12 SER C C 12 175.873 175.873 176.469 -0.596 19162 631 1 3 . 1 1 12 12 SER CA C 12 60.140 60.140 61.168 -1.028 19162 632 1 3 . 1 1 12 12 SER CB C 12 63.221 63.221 62.812 0.409 19162 633 1 3 . 1 1 12 12 SER H H 12 7.952 7.952 7.462 0.490 19162 634 1 3 . 1 1 13 13 ALA N N 13 124.308 124.308 123.741 0.567 19162 635 1 3 . 1 1 13 13 ALA C C 13 178.420 178.420 179.285 -0.865 19162 636 1 3 . 1 1 13 13 ALA CA C 13 53.470 53.470 54.700 -1.230 19162 637 1 3 . 1 1 13 13 ALA CB C 13 18.373 18.373 18.281 0.092 19162 638 1 3 . 1 1 13 13 ALA H H 13 7.924 7.924 7.531 0.393 19162 639 1 3 . 1 1 14 14 ALA N N 14 119.998 119.998 120.955 -0.957 19162 640 1 3 . 1 1 14 14 ALA C C 14 178.420 178.420 179.722 -1.302 19162 641 1 3 . 1 1 14 14 ALA CA C 14 53.263 53.263 54.538 -1.275 19162 642 1 3 . 1 1 14 14 ALA CB C 14 18.373 18.373 18.561 -0.188 19162 643 1 3 . 1 1 14 14 ALA H H 14 7.965 7.965 7.710 0.255 19162 644 1 3 . 1 1 15 15 GLY N N 15 105.417 105.417 107.152 -1.735 19162 645 1 3 . 1 1 15 15 GLY C C 15 174.422 174.422 175.786 -1.364 19162 646 1 3 . 1 1 15 15 GLY CA C 15 45.605 45.605 46.221 -0.616 19162 647 1 3 . 1 1 15 15 GLY H H 15 8.020 8.020 7.781 0.239 19162 648 1 3 . 1 1 16 16 ASN N N 16 118.989 118.989 118.253 0.736 19162 649 1 3 . 1 1 16 16 ASN C C 16 175.598 175.598 176.371 -0.773 19162 650 1 3 . 1 1 16 16 ASN CA C 16 53.677 53.677 54.655 -0.978 19162 651 1 3 . 1 1 16 16 ASN CB C 16 38.621 38.621 38.595 0.026 19162 652 1 3 . 1 1 16 16 ASN H H 16 8.156 8.156 7.496 0.660 19162 653 1 3 . 1 1 17 17 HIS N N 17 119.081 119.081 121.236 -2.155 19162 654 1 3 . 1 1 17 17 HIS C C 17 176.068 176.068 174.580 1.488 19162 655 1 3 . 1 1 17 17 HIS CA C 17 56.781 56.781 57.582 -0.801 19162 656 1 3 . 1 1 17 17 HIS CB C 17 29.942 29.942 28.083 1.859 19162 657 1 3 . 1 1 17 17 HIS H H 17 8.322 8.322 7.478 0.844 19162 658 1 3 . 1 1 18 18 GLY N N 18 109.543 109.543 114.071 -4.528 19162 659 1 3 . 1 1 18 18 GLY C C 18 175.206 175.206 173.381 1.825 19162 660 1 3 . 1 1 18 18 GLY CA C 18 47.054 47.054 44.307 2.747 19162 661 1 3 . 1 1 18 18 GLY H H 18 8.607 8.607 7.623 0.984 19162 662 1 3 . 1 1 19 19 PHE N N 19 120.640 120.640 125.566 -4.926 19162 663 1 3 . 1 1 19 19 PHE C C 19 176.695 176.695 175.829 0.866 19162 664 1 3 . 1 1 19 19 PHE CA C 19 60.507 60.507 58.586 1.921 19162 665 1 3 . 1 1 19 19 PHE CB C 19 38.638 38.638 37.932 0.706 19162 666 1 3 . 1 1 19 19 PHE H H 19 8.716 8.716 8.628 0.088 19162 667 1 3 . 1 1 20 20 PHE N N 20 118.989 118.989 116.299 2.690 19162 668 1 3 . 1 1 20 20 PHE C C 20 176.617 176.617 176.831 -0.214 19162 669 1 3 . 1 1 20 20 PHE CA C 20 61.334 61.334 59.389 1.945 19162 670 1 3 . 1 1 20 20 PHE CB C 20 38.460 38.460 37.102 1.358 19162 671 1 3 . 1 1 20 20 PHE H H 20 8.143 8.143 7.216 0.927 19162 672 1 3 . 1 1 21 21 TRP N N 21 118.897 118.897 121.922 -3.025 19162 673 1 3 . 1 1 21 21 TRP C C 21 178.577 178.577 178.247 0.330 19162 674 1 3 . 1 1 21 21 TRP CA C 21 59.691 59.691 59.117 0.574 19162 675 1 3 . 1 1 21 21 TRP CB C 21 29.636 29.636 29.645 -0.009 19162 676 1 3 . 1 1 21 21 TRP H H 21 7.911 7.911 6.298 1.613 19162 677 1 3 . 1 1 22 22 GLY N N 22 105.692 105.692 106.791 -1.099 19162 678 1 3 . 1 1 22 22 GLY C C 22 174.657 174.657 175.751 -1.094 19162 679 1 3 . 1 1 22 22 GLY CA C 22 47.261 47.261 46.839 0.422 19162 680 1 3 . 1 1 22 22 GLY H H 22 8.306 8.306 7.750 0.556 19162 681 1 3 . 1 1 23 23 LEU N N 23 121.557 121.557 122.416 -0.859 19162 682 1 3 . 1 1 23 23 LEU C C 23 179.752 179.752 178.489 1.263 19162 683 1 3 . 1 1 23 23 LEU CA C 23 57.402 57.402 57.140 0.262 19162 684 1 3 . 1 1 23 23 LEU CB C 23 40.579 40.579 41.785 -1.206 19162 685 1 3 . 1 1 23 23 LEU H H 23 7.993 7.993 7.628 0.365 19162 686 1 3 . 1 1 24 24 LEU N N 24 122.382 122.382 120.468 1.914 19162 687 1 3 . 1 1 24 24 LEU C C 24 178.185 178.185 178.907 -0.722 19162 688 1 3 . 1 1 24 24 LEU CA C 24 58.437 58.437 57.835 0.602 19162 689 1 3 . 1 1 24 24 LEU CB C 24 40.439 40.439 41.173 -0.734 19162 690 1 3 . 1 1 24 24 LEU H H 24 8.047 8.047 7.333 0.714 19162 691 1 3 . 1 1 25 25 VAL N N 25 118.255 118.255 117.583 0.672 19162 692 1 3 . 1 1 25 25 VAL C C 25 177.636 177.636 178.325 -0.689 19162 693 1 3 . 1 1 25 25 VAL CA C 25 67.129 67.129 66.097 1.032 19162 694 1 3 . 1 1 25 25 VAL CB C 25 30.813 30.813 30.816 -0.003 19162 695 1 3 . 1 1 25 25 VAL H H 25 8.102 8.102 7.140 0.962 19162 696 1 3 . 1 1 26 26 VAL N N 26 118.072 118.072 118.993 -0.921 19162 697 1 3 . 1 1 26 26 VAL C C 26 177.322 177.322 178.213 -0.891 19162 698 1 3 . 1 1 26 26 VAL CA C 26 66.686 66.686 66.779 -0.093 19162 699 1 3 . 1 1 26 26 VAL CB C 26 30.653 30.653 31.555 -0.902 19162 700 1 3 . 1 1 26 26 VAL H H 26 8.088 8.088 7.351 0.737 19162 701 1 3 . 1 1 27 27 THR N N 27 116.788 116.788 114.991 1.797 19162 702 1 3 . 1 1 27 27 THR C C 27 177.322 177.322 176.649 0.673 19162 703 1 3 . 1 1 27 27 THR CA C 27 67.750 67.750 66.268 1.482 19162 704 1 3 . 1 1 27 27 THR H H 27 8.047 8.047 8.047 -0.000 19162 705 1 3 . 1 1 28 28 LEU N N 28 122.932 122.932 123.222 -0.290 19162 706 1 3 . 1 1 28 28 LEU C C 28 178.499 178.499 178.074 0.425 19162 707 1 3 . 1 1 28 28 LEU CA C 28 58.230 58.230 58.181 0.049 19162 708 1 3 . 1 1 28 28 LEU CB C 28 40.794 40.794 41.668 -0.874 19162 709 1 3 . 1 1 28 28 LEU H H 28 8.429 8.429 8.100 0.329 19162 710 1 3 . 1 1 29 29 ALA N N 29 121.190 121.190 121.789 -0.599 19162 711 1 3 . 1 1 29 29 ALA C C 29 178.890 178.890 179.599 -0.709 19162 712 1 3 . 1 1 29 29 ALA CA C 29 55.333 55.333 54.924 0.409 19162 713 1 3 . 1 1 29 29 ALA CB C 29 17.727 17.727 18.185 -0.458 19162 714 1 3 . 1 1 29 29 ALA H H 29 8.607 8.607 7.671 0.936 19162 715 1 3 . 1 1 30 30 TRP N N 30 118.622 118.622 119.164 -0.542 19162 716 1 3 . 1 1 30 30 TRP C C 30 178.420 178.420 178.919 -0.499 19162 717 1 3 . 1 1 30 30 TRP CA C 30 60.300 60.300 60.940 -0.640 19162 718 1 3 . 1 1 30 30 TRP CB C 30 28.937 28.937 29.402 -0.465 19162 719 1 3 . 1 1 30 30 TRP H H 30 8.538 8.538 7.676 0.862 19162 720 1 3 . 1 1 31 31 HIS N N 31 117.888 117.888 119.681 -1.793 19162 721 1 3 . 1 1 31 31 HIS C C 31 177.949 177.949 177.684 0.265 19162 722 1 3 . 1 1 31 31 HIS CA C 31 59.886 59.886 59.918 -0.032 19162 723 1 3 . 1 1 31 31 HIS CB C 31 30.015 30.015 30.585 -0.570 19162 724 1 3 . 1 1 31 31 HIS H H 31 8.238 8.238 7.815 0.423 19162 725 1 3 . 1 1 32 32 VAL N N 32 116.788 116.788 114.861 1.927 19162 726 1 3 . 1 1 32 32 VAL C C 32 177.401 177.401 176.814 0.587 19162 727 1 3 . 1 1 32 32 VAL CA C 32 64.853 64.853 64.524 0.329 19162 728 1 3 . 1 1 32 32 VAL CB C 32 30.877 30.877 31.178 -0.301 19162 729 1 3 . 1 1 32 32 VAL H H 32 8.429 8.429 7.690 0.739 19162 730 1 3 . 1 1 33 33 LYS N N 33 120.548 120.548 120.984 -0.436 19162 731 1 3 . 1 1 33 33 LYS C C 33 177.636 177.636 178.906 -1.270 19162 732 1 3 . 1 1 33 33 LYS CA C 33 58.851 58.851 59.746 -0.895 19162 733 1 3 . 1 1 33 33 LYS CB C 33 31.134 31.134 31.681 -0.547 19162 734 1 3 . 1 1 33 33 LYS H H 33 8.047 8.047 7.489 0.558 19162 735 1 3 . 1 1 34 34 GLY N N 34 106.701 106.701 104.692 2.009 19162 736 1 3 . 1 1 34 34 GLY C C 34 174.814 174.814 176.161 -1.347 19162 737 1 3 . 1 1 34 34 GLY CA C 34 46.019 46.019 46.400 -0.381 19162 738 1 3 . 1 1 34 34 GLY H H 34 7.938 7.938 7.812 0.126 19162 739 1 3 . 1 1 35 35 ARG N N 35 118.164 118.164 121.488 -3.324 19162 740 1 3 . 1 1 35 35 ARG C C 35 176.460 176.460 178.337 -1.877 19162 741 1 3 . 1 1 35 35 ARG CA C 35 55.954 55.954 58.613 -2.659 19162 742 1 3 . 1 1 35 35 ARG CB C 35 29.799 29.799 29.849 -0.050 19162 743 1 3 . 1 1 35 35 ARG H H 35 7.624 7.624 7.496 0.128 19162 744 1 3 . 1 1 36 36 LEU N N 36 118.897 118.897 119.806 -0.909 19162 745 1 3 . 1 1 36 36 LEU C C 36 176.539 176.539 178.363 -1.824 19162 746 1 3 . 1 1 36 36 LEU CA C 36 55.540 55.540 57.850 -2.311 19162 747 1 3 . 1 1 36 36 LEU CB C 36 42.303 42.303 41.968 0.335 19162 748 1 3 . 1 1 36 36 LEU H H 36 7.720 7.720 7.958 -0.238 19162 749 1 3 . 1 1 37 37 VAL N N 37 118.530 118.530 117.662 0.868 19162 750 1 3 . 1 1 37 37 VAL C C 37 173.804 173.804 175.664 -1.860 19162 751 1 3 . 1 1 37 37 VAL CA C 37 59.472 59.472 67.228 -7.756 19162 752 1 3 . 1 1 37 37 VAL CB C 37 31.722 31.722 28.390 3.332 19162 753 1 3 . 1 1 37 37 VAL H H 37 7.911 7.911 7.472 0.439 19162 754 1 3 . 1 1 38 38 PRO C C 38 177.636 177.636 178.818 -1.182 19162 755 1 3 . 1 1 38 38 PRO CA C 38 63.611 63.611 65.094 -1.483 19162 756 1 3 . 1 1 38 38 PRO CB C 38 31.093 31.093 31.320 -0.227 19162 757 1 3 . 1 1 39 39 GLY N N 39 109.268 109.268 107.192 2.076 19162 758 1 3 . 1 1 39 39 GLY C C 39 174.422 174.422 175.841 -1.419 19162 759 1 3 . 1 1 39 39 GLY CA C 39 45.192 45.192 46.029 -0.837 19162 760 1 3 . 1 1 39 39 GLY H H 39 8.525 8.525 7.739 0.786 19162 761 1 3 . 1 1 40 40 ALA N N 40 123.391 123.391 124.140 -0.749 19162 762 1 3 . 1 1 40 40 ALA C C 40 178.028 178.028 178.097 -0.069 19162 763 1 3 . 1 1 40 40 ALA CA C 40 52.642 52.642 53.514 -0.873 19162 764 1 3 . 1 1 40 40 ALA CB C 40 18.804 18.804 19.103 -0.299 19162 765 1 3 . 1 1 40 40 ALA H H 40 7.965 7.965 7.655 0.310 19162 766 1 3 . 1 1 41 41 THR N N 41 113.028 113.028 112.079 0.949 19162 767 1 3 . 1 1 41 41 THR C C 41 175.363 175.363 173.476 1.887 19162 768 1 3 . 1 1 41 41 THR CA C 41 62.162 62.162 62.433 -0.271 19162 769 1 3 . 1 1 41 41 THR CB C 41 69.467 69.467 68.718 0.749 19162 770 1 3 . 1 1 41 41 THR H H 41 8.115 8.115 7.457 0.658 19162 771 1 3 . 1 1 42 42 TYR N N 42 121.373 121.373 121.629 -0.256 19162 772 1 3 . 1 1 42 42 TYR C C 42 176.303 176.303 174.180 2.123 19162 773 1 3 . 1 1 42 42 TYR CA C 42 59.473 59.473 56.401 3.072 19162 774 1 3 . 1 1 42 42 TYR CB C 42 37.992 37.992 38.545 -0.553 19162 775 1 3 . 1 1 42 42 TYR H H 42 8.429 8.429 7.872 0.557 19162 776 1 3 . 1 1 43 43 LEU N N 43 119.906 119.906 126.351 -6.445 19162 777 1 3 . 1 1 43 43 LEU C C 43 177.405 177.405 176.806 0.599 19162 778 1 3 . 1 1 43 43 LEU CA C 43 55.540 55.540 55.458 0.082 19162 779 1 3 . 1 1 43 43 LEU CB C 43 41.455 41.455 41.465 -0.009 19162 780 1 3 . 1 1 43 43 LEU H H 43 7.899 7.899 8.536 -0.637 19162 781 1 3 . 1 1 44 44 SER N N 44 115.779 115.779 117.233 -1.454 19162 782 1 3 . 1 1 44 44 SER C C 44 175.049 175.049 174.589 0.460 19162 783 1 3 . 1 1 44 44 SER CA C 44 59.058 59.058 59.179 -0.121 19162 784 1 3 . 1 1 44 44 SER CB C 44 63.649 63.649 63.675 -0.026 19162 785 1 3 . 1 1 44 44 SER H H 44 7.979 7.979 8.150 -0.171 19162 786 1 3 . 1 1 45 45 LEU N N 45 122.199 122.199 128.347 -6.148 19162 787 1 3 . 1 1 45 45 LEU C C 45 177.322 177.322 179.042 -1.720 19162 788 1 3 . 1 1 45 45 LEU CA C 45 55.747 55.747 55.601 0.146 19162 789 1 3 . 1 1 45 45 LEU CB C 45 41.441 41.441 42.161 -0.720 19162 790 1 3 . 1 1 45 45 LEU H H 45 8.211 8.211 8.695 -0.484 19162 791 1 3 . 1 1 46 46 GLY N N 46 105.325 105.325 108.236 -2.911 19162 792 1 3 . 1 1 46 46 GLY C C 46 174.422 174.422 174.691 -0.269 19162 793 1 3 . 1 1 46 46 GLY CA C 46 45.812 45.812 45.578 0.234 19162 794 1 3 . 1 1 46 46 GLY H H 46 8.129 8.129 8.489 -0.360 19162 795 1 3 . 1 1 47 47 VAL N N 47 117.063 117.063 118.941 -1.878 19162 796 1 3 . 1 1 47 47 VAL C C 47 177.087 177.087 175.928 1.159 19162 797 1 3 . 1 1 47 47 VAL CA C 47 62.783 62.783 62.461 0.322 19162 798 1 3 . 1 1 47 47 VAL CB C 47 31.524 31.524 32.266 -0.742 19162 799 1 3 . 1 1 47 47 VAL H H 47 7.897 7.897 7.601 0.296 19162 800 1 3 . 1 1 48 48 TRP N N 48 121.465 121.465 123.349 -1.884 19162 801 1 3 . 1 1 48 48 TRP C C 48 175.284 175.284 175.361 -0.077 19162 802 1 3 . 1 1 48 48 TRP CA C 48 60.921 60.921 61.708 -0.787 19162 803 1 3 . 1 1 48 48 TRP CB C 48 27.644 27.644 27.418 0.226 19162 804 1 3 . 1 1 48 48 TRP H H 48 7.938 7.938 8.530 -0.592 19162 805 1 3 . 1 1 49 49 PRO C C 49 177.610 177.610 178.266 -0.656 19162 806 1 3 . 1 1 49 49 PRO CA C 49 65.888 65.888 64.599 1.289 19162 807 1 3 . 1 1 49 49 PRO CB C 49 30.599 30.599 31.217 -0.618 19162 808 1 3 . 1 1 50 50 LEU N N 50 115.596 115.596 119.181 -3.585 19162 809 1 3 . 1 1 50 50 LEU C C 50 179.125 179.125 179.071 0.054 19162 810 1 3 . 1 1 50 50 LEU CA C 50 57.195 57.195 57.614 -0.419 19162 811 1 3 . 1 1 50 50 LEU CB C 50 40.579 40.579 41.659 -1.080 19162 812 1 3 . 1 1 50 50 LEU H H 50 7.215 7.215 7.823 -0.608 19162 813 1 3 . 1 1 51 51 LEU N N 51 119.906 119.906 118.239 1.667 19162 814 1 3 . 1 1 51 51 LEU C C 51 178.812 178.812 179.117 -0.305 19162 815 1 3 . 1 1 51 51 LEU CA C 51 57.402 57.402 57.553 -0.151 19162 816 1 3 . 1 1 51 51 LEU CB C 51 41.027 41.027 40.966 0.061 19162 817 1 3 . 1 1 51 51 LEU H H 51 7.856 7.856 7.373 0.483 19162 818 1 3 . 1 1 52 52 LEU N N 52 117.980 117.980 118.786 -0.806 19162 819 1 3 . 1 1 52 52 LEU C C 52 178.655 178.655 179.037 -0.382 19162 820 1 3 . 1 1 52 52 LEU CA C 52 57.753 57.753 57.616 0.137 19162 821 1 3 . 1 1 52 52 LEU CB C 52 40.974 40.974 41.169 -0.195 19162 822 1 3 . 1 1 52 52 LEU H H 52 7.965 7.965 7.253 0.712 19162 823 1 3 . 1 1 53 53 VAL N N 53 117.063 117.063 118.643 -1.580 19162 824 1 3 . 1 1 53 53 VAL C C 53 177.636 177.636 177.686 -0.050 19162 825 1 3 . 1 1 53 53 VAL CA C 53 66.302 66.302 66.259 0.043 19162 826 1 3 . 1 1 53 53 VAL CB C 53 30.877 30.877 31.250 -0.373 19162 827 1 3 . 1 1 53 53 VAL H H 53 7.774 7.774 7.469 0.305 19162 828 1 3 . 1 1 54 54 ARG N N 54 118.439 118.439 119.806 -1.367 19162 829 1 3 . 1 1 54 54 ARG C C 54 178.263 178.263 177.828 0.435 19162 830 1 3 . 1 1 54 54 ARG CA C 54 58.230 58.230 59.473 -1.243 19162 831 1 3 . 1 1 54 54 ARG CB C 54 29.368 29.368 30.059 -0.691 19162 832 1 3 . 1 1 54 54 ARG H H 54 7.665 7.665 7.758 -0.093 19162 833 1 3 . 1 1 55 55 LEU N N 55 117.888 117.888 117.312 0.576 19162 834 1 3 . 1 1 55 55 LEU C C 55 177.649 177.649 178.860 -1.211 19162 835 1 3 . 1 1 55 55 LEU CA C 55 56.521 56.521 57.501 -0.980 19162 836 1 3 . 1 1 55 55 LEU CB C 55 42.097 42.097 42.089 0.008 19162 837 1 3 . 1 1 55 55 LEU H H 55 7.789 7.789 7.534 0.255 19162 838 1 3 . 1 1 56 56 LEU N N 56 116.146 116.146 119.024 -2.878 19162 839 1 3 . 1 1 56 56 LEU C C 56 176.930 176.930 177.968 -1.038 19162 840 1 3 . 1 1 56 56 LEU CA C 56 55.333 55.333 57.116 -1.783 19162 841 1 3 . 1 1 56 56 LEU CB C 56 41.990 41.990 42.012 -0.022 19162 842 1 3 . 1 1 56 56 LEU H H 56 7.693 7.693 7.246 0.447 19162 843 1 3 . 1 1 57 57 ARG N N 57 118.897 118.897 119.723 -0.826 19162 844 1 3 . 1 1 57 57 ARG C C 57 173.795 173.795 176.359 -2.564 19162 845 1 3 . 1 1 57 57 ARG CA C 57 54.919 54.919 59.618 -4.699 19162 846 1 3 . 1 1 57 57 ARG CB C 57 29.153 29.153 28.690 0.463 19162 847 1 3 . 1 1 57 57 ARG H H 57 7.856 7.856 8.101 -0.245 19162 848 1 3 . 1 1 58 58 PRO C C 58 177.009 177.009 176.514 0.495 19162 849 1 3 . 1 1 58 58 PRO CA C 58 63.611 63.611 63.631 -0.020 19162 850 1 3 . 1 1 58 58 PRO CB C 58 31.027 31.027 31.757 -0.730 19162 851 1 3 . 1 1 59 59 HIS N N 59 119.264 119.264 116.646 2.618 19162 852 1 3 . 1 1 59 59 HIS C C 59 175.520 175.520 173.963 1.557 19162 853 1 3 . 1 1 59 59 HIS CA C 59 56.574 56.574 57.245 -0.671 19162 854 1 3 . 1 1 59 59 HIS CB C 59 30.446 30.446 30.389 0.057 19162 855 1 3 . 1 1 59 59 HIS H H 59 8.375 8.375 8.022 0.353 19162 856 1 3 . 1 1 60 60 ARG N N 60 122.382 122.382 121.285 1.097 19162 857 1 3 . 1 1 60 60 ARG C C 60 175.598 175.598 175.103 0.495 19162 858 1 3 . 1 1 60 60 ARG CA C 60 55.751 55.751 55.926 -0.175 19162 859 1 3 . 1 1 60 60 ARG CB C 60 30.064 30.064 31.910 -1.846 19162 860 1 3 . 1 1 60 60 ARG H H 60 7.980 7.980 8.337 -0.357 19162 861 1 3 . 1 1 61 61 ALA N N 61 125.041 125.041 127.179 -2.138 19162 862 1 3 . 1 1 61 61 ALA C C 61 177.401 177.401 177.600 -0.199 19162 863 1 3 . 1 1 61 61 ALA CA C 61 52.228 52.228 53.467 -1.239 19162 864 1 3 . 1 1 61 61 ALA CB C 61 18.804 18.804 18.345 0.460 19162 865 1 3 . 1 1 61 61 ALA H H 61 8.320 8.320 8.757 -0.437 19162 866 1 3 . 1 1 62 62 LEU N N 62 121.281 121.281 119.728 1.553 19162 867 1 3 . 1 1 62 62 LEU C C 62 175.911 175.911 177.348 -1.437 19162 868 1 3 . 1 1 62 62 LEU CA C 62 54.919 54.919 54.962 -0.043 19162 869 1 3 . 1 1 62 62 LEU CB C 62 41.657 41.657 42.113 -0.456 19162 870 1 3 . 1 1 62 62 LEU H H 62 8.115 8.115 7.681 0.434 19162 871 1 4 . 1 1 2 2 ALA C C 2 178.255 178.255 177.883 0.372 19162 872 1 4 . 1 1 2 2 ALA CA C 2 53.263 53.263 53.355 -0.092 19162 873 1 4 . 1 1 2 2 ALA CB C 2 18.411 18.411 19.224 -0.812 19162 874 1 4 . 1 1 3 3 LYS N N 3 119.081 119.081 117.596 1.485 19162 875 1 4 . 1 1 3 3 LYS C C 3 176.752 176.752 175.375 1.377 19162 876 1 4 . 1 1 3 3 LYS CA C 3 57.816 57.816 55.276 2.540 19162 877 1 4 . 1 1 3 3 LYS CB C 3 31.751 31.751 32.992 -1.241 19162 878 1 4 . 1 1 3 3 LYS H H 3 8.607 8.607 7.916 0.691 19162 879 1 4 . 1 1 4 4 ASN N N 4 118.255 118.255 115.354 2.901 19162 880 1 4 . 1 1 4 4 ASN C C 4 176.029 176.029 174.087 1.942 19162 881 1 4 . 1 1 4 4 ASN CA C 4 54.712 54.712 53.830 0.882 19162 882 1 4 . 1 1 4 4 ASN CB C 4 38.244 38.244 37.535 0.709 19162 883 1 4 . 1 1 4 4 ASN H H 4 8.185 8.185 8.626 -0.441 19162 884 1 4 . 1 1 5 5 VAL N N 5 119.998 119.998 112.098 7.900 19162 885 1 4 . 1 1 5 5 VAL C C 5 177.259 177.259 176.587 0.672 19162 886 1 4 . 1 1 5 5 VAL CA C 5 64.232 64.232 62.790 1.442 19162 887 1 4 . 1 1 5 5 VAL CB C 5 31.524 31.524 32.190 -0.666 19162 888 1 4 . 1 1 5 5 VAL H H 5 7.857 7.857 7.502 0.355 19162 889 1 4 . 1 1 6 6 ILE N N 6 122.474 122.474 122.155 0.319 19162 890 1 4 . 1 1 6 6 ILE C C 6 177.009 177.009 177.866 -0.857 19162 891 1 4 . 1 1 6 6 ILE CA C 6 63.400 63.400 65.319 -1.919 19162 892 1 4 . 1 1 6 6 ILE CB C 6 37.177 37.177 37.675 -0.499 19162 893 1 4 . 1 1 6 6 ILE H H 6 8.062 8.062 8.282 -0.220 19162 894 1 4 . 1 1 7 7 VAL N N 7 120.915 120.915 119.925 0.990 19162 895 1 4 . 1 1 7 7 VAL C C 7 177.009 177.009 177.487 -0.478 19162 896 1 4 . 1 1 7 7 VAL CA C 7 65.017 65.017 66.082 -1.065 19162 897 1 4 . 1 1 7 7 VAL CB C 7 31.309 31.309 31.834 -0.525 19162 898 1 4 . 1 1 7 7 VAL H H 7 7.993 7.993 7.822 0.171 19162 899 1 4 . 1 1 8 8 LEU N N 8 121.098 121.098 119.369 1.729 19162 900 1 4 . 1 1 8 8 LEU C C 8 178.655 178.655 179.036 -0.381 19162 901 1 4 . 1 1 8 8 LEU CA C 8 56.781 56.781 57.879 -1.098 19162 902 1 4 . 1 1 8 8 LEU CB C 8 41.010 41.010 41.513 -0.503 19162 903 1 4 . 1 1 8 8 LEU H H 8 8.061 8.061 7.322 0.739 19162 904 1 4 . 1 1 9 9 ASN N N 9 118.347 118.347 117.433 0.914 19162 905 1 4 . 1 1 9 9 ASN C C 9 176.695 176.695 177.159 -0.464 19162 906 1 4 . 1 1 9 9 ASN CA C 9 54.919 54.919 56.386 -1.467 19162 907 1 4 . 1 1 9 9 ASN CB C 9 38.674 38.674 38.438 0.236 19162 908 1 4 . 1 1 9 9 ASN H H 9 8.102 8.102 7.681 0.421 19162 909 1 4 . 1 1 10 10 ALA N N 10 124.124 124.124 122.076 2.048 19162 910 1 4 . 1 1 10 10 ALA C C 10 178.263 178.263 179.374 -1.111 19162 911 1 4 . 1 1 10 10 ALA CA C 10 54.505 54.505 54.986 -0.481 19162 912 1 4 . 1 1 10 10 ALA CB C 10 17.942 17.942 18.097 -0.155 19162 913 1 4 . 1 1 10 10 ALA H H 10 8.388 8.388 7.766 0.622 19162 914 1 4 . 1 1 11 11 ALA N N 11 119.814 119.814 120.544 -0.730 19162 915 1 4 . 1 1 11 11 ALA C C 11 179.204 179.204 179.655 -0.451 19162 916 1 4 . 1 1 11 11 ALA CA C 11 54.298 54.298 55.036 -0.738 19162 917 1 4 . 1 1 11 11 ALA CB C 11 17.942 17.942 18.007 -0.065 19162 918 1 4 . 1 1 11 11 ALA H H 11 8.279 8.279 7.892 0.387 19162 919 1 4 . 1 1 12 12 SER N N 12 113.303 113.303 114.605 -1.302 19162 920 1 4 . 1 1 12 12 SER C C 12 175.873 175.873 176.440 -0.567 19162 921 1 4 . 1 1 12 12 SER CA C 12 60.140 60.140 61.091 -0.951 19162 922 1 4 . 1 1 12 12 SER CB C 12 63.221 63.221 62.794 0.427 19162 923 1 4 . 1 1 12 12 SER H H 12 7.952 7.952 7.600 0.352 19162 924 1 4 . 1 1 13 13 ALA N N 13 124.308 124.308 123.019 1.289 19162 925 1 4 . 1 1 13 13 ALA C C 13 178.420 178.420 179.252 -0.832 19162 926 1 4 . 1 1 13 13 ALA CA C 13 53.470 53.470 54.861 -1.391 19162 927 1 4 . 1 1 13 13 ALA CB C 13 18.373 18.373 18.063 0.310 19162 928 1 4 . 1 1 13 13 ALA H H 13 7.924 7.924 7.762 0.162 19162 929 1 4 . 1 1 14 14 ALA N N 14 119.998 119.998 121.033 -1.035 19162 930 1 4 . 1 1 14 14 ALA C C 14 178.420 178.420 179.708 -1.288 19162 931 1 4 . 1 1 14 14 ALA CA C 14 53.263 53.263 54.577 -1.314 19162 932 1 4 . 1 1 14 14 ALA CB C 14 18.373 18.373 18.588 -0.215 19162 933 1 4 . 1 1 14 14 ALA H H 14 7.965 7.965 7.829 0.136 19162 934 1 4 . 1 1 15 15 GLY N N 15 105.417 105.417 107.445 -2.028 19162 935 1 4 . 1 1 15 15 GLY C C 15 174.422 174.422 175.995 -1.573 19162 936 1 4 . 1 1 15 15 GLY CA C 15 45.605 45.605 46.345 -0.740 19162 937 1 4 . 1 1 15 15 GLY H H 15 8.020 8.020 7.823 0.197 19162 938 1 4 . 1 1 16 16 ASN N N 16 118.989 118.989 119.758 -0.769 19162 939 1 4 . 1 1 16 16 ASN C C 16 175.598 175.598 175.874 -0.276 19162 940 1 4 . 1 1 16 16 ASN CA C 16 53.677 53.677 54.097 -0.420 19162 941 1 4 . 1 1 16 16 ASN CB C 16 38.621 38.621 38.454 0.167 19162 942 1 4 . 1 1 16 16 ASN H H 16 8.156 8.156 7.533 0.623 19162 943 1 4 . 1 1 17 17 HIS N N 17 119.081 119.081 121.287 -2.206 19162 944 1 4 . 1 1 17 17 HIS C C 17 176.068 176.068 174.629 1.439 19162 945 1 4 . 1 1 17 17 HIS CA C 17 56.781 56.781 57.437 -0.656 19162 946 1 4 . 1 1 17 17 HIS CB C 17 29.942 29.942 28.499 1.443 19162 947 1 4 . 1 1 17 17 HIS H H 17 8.322 8.322 7.517 0.805 19162 948 1 4 . 1 1 18 18 GLY N N 18 109.543 109.543 113.729 -4.186 19162 949 1 4 . 1 1 18 18 GLY C C 18 175.206 175.206 173.443 1.763 19162 950 1 4 . 1 1 18 18 GLY CA C 18 47.054 47.054 44.702 2.352 19162 951 1 4 . 1 1 18 18 GLY H H 18 8.607 8.607 7.578 1.029 19162 952 1 4 . 1 1 19 19 PHE N N 19 120.640 120.640 125.937 -5.297 19162 953 1 4 . 1 1 19 19 PHE C C 19 176.695 176.695 175.654 1.041 19162 954 1 4 . 1 1 19 19 PHE CA C 19 60.507 60.507 59.206 1.301 19162 955 1 4 . 1 1 19 19 PHE CB C 19 38.638 38.638 38.381 0.257 19162 956 1 4 . 1 1 19 19 PHE H H 19 8.716 8.716 8.458 0.258 19162 957 1 4 . 1 1 20 20 PHE N N 20 118.989 118.989 116.622 2.367 19162 958 1 4 . 1 1 20 20 PHE C C 20 176.617 176.617 177.642 -1.025 19162 959 1 4 . 1 1 20 20 PHE CA C 20 61.334 61.334 61.173 0.161 19162 960 1 4 . 1 1 20 20 PHE CB C 20 38.460 38.460 37.880 0.580 19162 961 1 4 . 1 1 20 20 PHE H H 20 8.143 8.143 7.799 0.344 19162 962 1 4 . 1 1 21 21 TRP N N 21 118.897 118.897 121.061 -2.164 19162 963 1 4 . 1 1 21 21 TRP C C 21 178.577 178.577 178.329 0.248 19162 964 1 4 . 1 1 21 21 TRP CA C 21 59.691 59.691 60.912 -1.221 19162 965 1 4 . 1 1 21 21 TRP CB C 21 29.636 29.636 29.692 -0.056 19162 966 1 4 . 1 1 21 21 TRP H H 21 7.911 7.911 8.439 -0.528 19162 967 1 4 . 1 1 22 22 GLY N N 22 105.692 105.692 106.678 -0.986 19162 968 1 4 . 1 1 22 22 GLY C C 22 174.657 174.657 175.747 -1.090 19162 969 1 4 . 1 1 22 22 GLY CA C 22 47.261 47.261 47.144 0.117 19162 970 1 4 . 1 1 22 22 GLY H H 22 8.306 8.306 7.789 0.517 19162 971 1 4 . 1 1 23 23 LEU N N 23 121.557 121.557 121.908 -0.351 19162 972 1 4 . 1 1 23 23 LEU C C 23 179.752 179.752 178.642 1.110 19162 973 1 4 . 1 1 23 23 LEU CA C 23 57.402 57.402 57.573 -0.171 19162 974 1 4 . 1 1 23 23 LEU CB C 23 40.579 40.579 41.553 -0.974 19162 975 1 4 . 1 1 23 23 LEU H H 23 7.993 7.993 7.327 0.666 19162 976 1 4 . 1 1 24 24 LEU N N 24 122.382 122.382 119.210 3.172 19162 977 1 4 . 1 1 24 24 LEU C C 24 178.185 178.185 178.296 -0.111 19162 978 1 4 . 1 1 24 24 LEU CA C 24 58.437 58.437 57.809 0.628 19162 979 1 4 . 1 1 24 24 LEU CB C 24 40.439 40.439 41.378 -0.939 19162 980 1 4 . 1 1 24 24 LEU H H 24 8.047 8.047 7.060 0.987 19162 981 1 4 . 1 1 25 25 VAL N N 25 118.255 118.255 118.716 -0.461 19162 982 1 4 . 1 1 25 25 VAL C C 25 177.636 177.636 177.861 -0.225 19162 983 1 4 . 1 1 25 25 VAL CA C 25 67.129 67.129 65.643 1.486 19162 984 1 4 . 1 1 25 25 VAL CB C 25 30.813 30.813 30.993 -0.180 19162 985 1 4 . 1 1 25 25 VAL H H 25 8.102 8.102 7.020 1.082 19162 986 1 4 . 1 1 26 26 VAL N N 26 118.072 118.072 119.240 -1.168 19162 987 1 4 . 1 1 26 26 VAL C C 26 177.322 177.322 178.373 -1.051 19162 988 1 4 . 1 1 26 26 VAL CA C 26 66.686 66.686 66.910 -0.224 19162 989 1 4 . 1 1 26 26 VAL CB C 26 30.653 30.653 30.655 -0.002 19162 990 1 4 . 1 1 26 26 VAL H H 26 8.088 8.088 7.379 0.709 19162 991 1 4 . 1 1 27 27 THR N N 27 116.788 116.788 117.426 -0.638 19162 992 1 4 . 1 1 27 27 THR C C 27 177.322 177.322 176.897 0.425 19162 993 1 4 . 1 1 27 27 THR CA C 27 67.750 67.750 67.018 0.732 19162 994 1 4 . 1 1 27 27 THR H H 27 8.047 8.047 7.795 0.252 19162 995 1 4 . 1 1 28 28 LEU N N 28 122.932 122.932 121.663 1.269 19162 996 1 4 . 1 1 28 28 LEU C C 28 178.499 178.499 179.024 -0.525 19162 997 1 4 . 1 1 28 28 LEU CA C 28 58.230 58.230 58.499 -0.269 19162 998 1 4 . 1 1 28 28 LEU CB C 28 40.794 40.794 41.516 -0.722 19162 999 1 4 . 1 1 28 28 LEU H H 28 8.429 8.429 8.125 0.304 19162 1000 1 4 . 1 1 29 29 ALA N N 29 121.190 121.190 121.746 -0.556 19162 1001 1 4 . 1 1 29 29 ALA C C 29 178.890 178.890 180.178 -1.288 19162 1002 1 4 . 1 1 29 29 ALA CA C 29 55.333 55.333 54.801 0.532 19162 1003 1 4 . 1 1 29 29 ALA CB C 29 17.727 17.727 18.240 -0.513 19162 1004 1 4 . 1 1 29 29 ALA H H 29 8.607 8.607 7.754 0.853 19162 1005 1 4 . 1 1 30 30 TRP N N 30 118.622 118.622 119.484 -0.862 19162 1006 1 4 . 1 1 30 30 TRP C C 30 178.420 178.420 178.864 -0.444 19162 1007 1 4 . 1 1 30 30 TRP CA C 30 60.300 60.300 60.869 -0.569 19162 1008 1 4 . 1 1 30 30 TRP CB C 30 28.937 28.937 29.404 -0.467 19162 1009 1 4 . 1 1 30 30 TRP H H 30 8.538 8.538 8.178 0.360 19162 1010 1 4 . 1 1 31 31 HIS N N 31 117.888 117.888 119.387 -1.499 19162 1011 1 4 . 1 1 31 31 HIS C C 31 177.949 177.949 176.948 1.001 19162 1012 1 4 . 1 1 31 31 HIS CA C 31 59.886 59.886 59.419 0.467 19162 1013 1 4 . 1 1 31 31 HIS CB C 31 30.015 30.015 30.505 -0.490 19162 1014 1 4 . 1 1 31 31 HIS H H 31 8.238 8.238 7.988 0.250 19162 1015 1 4 . 1 1 32 32 VAL N N 32 116.788 116.788 113.894 2.894 19162 1016 1 4 . 1 1 32 32 VAL C C 32 177.401 177.401 176.719 0.682 19162 1017 1 4 . 1 1 32 32 VAL CA C 32 64.853 64.853 64.087 0.766 19162 1018 1 4 . 1 1 32 32 VAL CB C 32 30.877 30.877 30.767 0.110 19162 1019 1 4 . 1 1 32 32 VAL H H 32 8.429 8.429 7.707 0.722 19162 1020 1 4 . 1 1 33 33 LYS N N 33 120.548 120.548 121.299 -0.751 19162 1021 1 4 . 1 1 33 33 LYS C C 33 177.636 177.636 178.749 -1.113 19162 1022 1 4 . 1 1 33 33 LYS CA C 33 58.851 58.851 59.860 -1.009 19162 1023 1 4 . 1 1 33 33 LYS CB C 33 31.134 31.134 31.609 -0.475 19162 1024 1 4 . 1 1 33 33 LYS H H 33 8.047 8.047 7.509 0.538 19162 1025 1 4 . 1 1 34 34 GLY N N 34 106.701 106.701 105.074 1.627 19162 1026 1 4 . 1 1 34 34 GLY C C 34 174.814 174.814 176.390 -1.576 19162 1027 1 4 . 1 1 34 34 GLY CA C 34 46.019 46.019 46.533 -0.514 19162 1028 1 4 . 1 1 34 34 GLY H H 34 7.938 7.938 7.989 -0.051 19162 1029 1 4 . 1 1 35 35 ARG N N 35 118.164 118.164 121.678 -3.514 19162 1030 1 4 . 1 1 35 35 ARG C C 35 176.460 176.460 178.299 -1.839 19162 1031 1 4 . 1 1 35 35 ARG CA C 35 55.954 55.954 57.550 -1.596 19162 1032 1 4 . 1 1 35 35 ARG CB C 35 29.799 29.799 29.353 0.446 19162 1033 1 4 . 1 1 35 35 ARG H H 35 7.624 7.624 7.468 0.156 19162 1034 1 4 . 1 1 36 36 LEU N N 36 118.897 118.897 119.694 -0.797 19162 1035 1 4 . 1 1 36 36 LEU C C 36 176.539 176.539 178.237 -1.698 19162 1036 1 4 . 1 1 36 36 LEU CA C 36 55.540 55.540 57.878 -2.338 19162 1037 1 4 . 1 1 36 36 LEU CB C 36 42.303 42.303 41.870 0.433 19162 1038 1 4 . 1 1 36 36 LEU H H 36 7.720 7.720 8.034 -0.314 19162 1039 1 4 . 1 1 37 37 VAL N N 37 118.530 118.530 117.459 1.071 19162 1040 1 4 . 1 1 37 37 VAL C C 37 173.804 173.804 175.265 -1.461 19162 1041 1 4 . 1 1 37 37 VAL CA C 37 59.472 59.472 67.801 -8.329 19162 1042 1 4 . 1 1 37 37 VAL CB C 37 31.722 31.722 29.066 2.656 19162 1043 1 4 . 1 1 37 37 VAL H H 37 7.911 7.911 7.387 0.524 19162 1044 1 4 . 1 1 38 38 PRO C C 38 177.636 177.636 177.810 -0.174 19162 1045 1 4 . 1 1 38 38 PRO CA C 38 63.611 63.611 64.926 -1.315 19162 1046 1 4 . 1 1 38 38 PRO CB C 38 31.093 31.093 31.450 -0.356 19162 1047 1 4 . 1 1 39 39 GLY N N 39 109.268 109.268 105.600 3.668 19162 1048 1 4 . 1 1 39 39 GLY C C 39 174.422 174.422 175.123 -0.701 19162 1049 1 4 . 1 1 39 39 GLY CA C 39 45.192 45.192 46.179 -0.987 19162 1050 1 4 . 1 1 39 39 GLY H H 39 8.525 8.525 7.589 0.936 19162 1051 1 4 . 1 1 40 40 ALA N N 40 123.391 123.391 122.690 0.701 19162 1052 1 4 . 1 1 40 40 ALA C C 40 178.028 178.028 177.549 0.479 19162 1053 1 4 . 1 1 40 40 ALA CA C 40 52.642 52.642 53.981 -1.339 19162 1054 1 4 . 1 1 40 40 ALA CB C 40 18.804 18.804 19.167 -0.363 19162 1055 1 4 . 1 1 40 40 ALA H H 40 7.965 7.965 7.491 0.474 19162 1056 1 4 . 1 1 41 41 THR N N 41 113.028 113.028 111.380 1.648 19162 1057 1 4 . 1 1 41 41 THR C C 41 175.363 175.363 173.706 1.657 19162 1058 1 4 . 1 1 41 41 THR CA C 41 62.162 62.162 61.827 0.335 19162 1059 1 4 . 1 1 41 41 THR CB C 41 69.467 69.467 68.796 0.671 19162 1060 1 4 . 1 1 41 41 THR H H 41 8.115 8.115 7.501 0.614 19162 1061 1 4 . 1 1 42 42 TYR N N 42 121.373 121.373 125.385 -4.012 19162 1062 1 4 . 1 1 42 42 TYR C C 42 176.303 176.303 173.832 2.471 19162 1063 1 4 . 1 1 42 42 TYR CA C 42 59.473 59.473 56.797 2.676 19162 1064 1 4 . 1 1 42 42 TYR CB C 42 37.992 37.992 38.127 -0.135 19162 1065 1 4 . 1 1 42 42 TYR H H 42 8.429 8.429 7.546 0.883 19162 1066 1 4 . 1 1 43 43 LEU N N 43 119.906 119.906 120.946 -1.040 19162 1067 1 4 . 1 1 43 43 LEU C C 43 177.405 177.405 176.741 0.664 19162 1068 1 4 . 1 1 43 43 LEU CA C 43 55.540 55.540 53.651 1.889 19162 1069 1 4 . 1 1 43 43 LEU CB C 43 41.455 41.455 44.291 -2.836 19162 1070 1 4 . 1 1 43 43 LEU H H 43 7.899 7.899 8.269 -0.370 19162 1071 1 4 . 1 1 44 44 SER N N 44 115.779 115.779 115.287 0.492 19162 1072 1 4 . 1 1 44 44 SER C C 44 175.049 175.049 174.555 0.494 19162 1073 1 4 . 1 1 44 44 SER CA C 44 59.058 59.058 57.509 1.549 19162 1074 1 4 . 1 1 44 44 SER CB C 44 63.649 63.649 62.772 0.877 19162 1075 1 4 . 1 1 44 44 SER H H 44 7.979 7.979 8.321 -0.342 19162 1076 1 4 . 1 1 45 45 LEU N N 45 122.199 122.199 124.941 -2.742 19162 1077 1 4 . 1 1 45 45 LEU C C 45 177.322 177.322 178.647 -1.325 19162 1078 1 4 . 1 1 45 45 LEU CA C 45 55.747 55.747 55.939 -0.192 19162 1079 1 4 . 1 1 45 45 LEU CB C 45 41.441 41.441 42.020 -0.579 19162 1080 1 4 . 1 1 45 45 LEU H H 45 8.211 8.211 8.346 -0.135 19162 1081 1 4 . 1 1 46 46 GLY N N 46 105.325 105.325 106.252 -0.927 19162 1082 1 4 . 1 1 46 46 GLY C C 46 174.422 174.422 174.975 -0.553 19162 1083 1 4 . 1 1 46 46 GLY CA C 46 45.812 45.812 45.443 0.369 19162 1084 1 4 . 1 1 46 46 GLY H H 46 8.129 8.129 8.496 -0.367 19162 1085 1 4 . 1 1 47 47 VAL N N 47 117.063 117.063 114.680 2.383 19162 1086 1 4 . 1 1 47 47 VAL C C 47 177.087 177.087 176.328 0.759 19162 1087 1 4 . 1 1 47 47 VAL CA C 47 62.783 62.783 61.915 0.868 19162 1088 1 4 . 1 1 47 47 VAL CB C 47 31.524 31.524 32.822 -1.298 19162 1089 1 4 . 1 1 47 47 VAL H H 47 7.897 7.897 7.724 0.173 19162 1090 1 4 . 1 1 48 48 TRP N N 48 121.465 121.465 125.129 -3.664 19162 1091 1 4 . 1 1 48 48 TRP C C 48 175.284 175.284 175.198 0.086 19162 1092 1 4 . 1 1 48 48 TRP CA C 48 60.921 60.921 61.063 -0.142 19162 1093 1 4 . 1 1 48 48 TRP CB C 48 27.644 27.644 27.742 -0.099 19162 1094 1 4 . 1 1 48 48 TRP H H 48 7.938 7.938 8.608 -0.670 19162 1095 1 4 . 1 1 49 49 PRO C C 49 177.610 177.610 178.020 -0.410 19162 1096 1 4 . 1 1 49 49 PRO CA C 49 65.888 65.888 64.514 1.374 19162 1097 1 4 . 1 1 49 49 PRO CB C 49 30.599 30.599 30.976 -0.376 19162 1098 1 4 . 1 1 50 50 LEU N N 50 115.596 115.596 119.236 -3.640 19162 1099 1 4 . 1 1 50 50 LEU C C 50 179.125 179.125 179.161 -0.036 19162 1100 1 4 . 1 1 50 50 LEU CA C 50 57.195 57.195 57.389 -0.194 19162 1101 1 4 . 1 1 50 50 LEU CB C 50 40.579 40.579 41.331 -0.752 19162 1102 1 4 . 1 1 50 50 LEU H H 50 7.215 7.215 7.741 -0.526 19162 1103 1 4 . 1 1 51 51 LEU N N 51 119.906 119.906 119.593 0.313 19162 1104 1 4 . 1 1 51 51 LEU C C 51 178.812 178.812 179.070 -0.258 19162 1105 1 4 . 1 1 51 51 LEU CA C 51 57.402 57.402 57.981 -0.579 19162 1106 1 4 . 1 1 51 51 LEU CB C 51 41.027 41.027 40.809 0.218 19162 1107 1 4 . 1 1 51 51 LEU H H 51 7.856 7.856 7.712 0.144 19162 1108 1 4 . 1 1 52 52 LEU N N 52 117.980 117.980 118.598 -0.618 19162 1109 1 4 . 1 1 52 52 LEU C C 52 178.655 178.655 179.401 -0.746 19162 1110 1 4 . 1 1 52 52 LEU CA C 52 57.753 57.753 57.800 -0.047 19162 1111 1 4 . 1 1 52 52 LEU CB C 52 40.974 40.974 41.212 -0.238 19162 1112 1 4 . 1 1 52 52 LEU H H 52 7.965 7.965 7.396 0.569 19162 1113 1 4 . 1 1 53 53 VAL N N 53 117.063 117.063 118.720 -1.657 19162 1114 1 4 . 1 1 53 53 VAL C C 53 177.636 177.636 177.786 -0.150 19162 1115 1 4 . 1 1 53 53 VAL CA C 53 66.302 66.302 65.972 0.330 19162 1116 1 4 . 1 1 53 53 VAL CB C 53 30.877 30.877 31.109 -0.232 19162 1117 1 4 . 1 1 53 53 VAL H H 53 7.774 7.774 7.345 0.429 19162 1118 1 4 . 1 1 54 54 ARG N N 54 118.439 118.439 120.026 -1.587 19162 1119 1 4 . 1 1 54 54 ARG C C 54 178.263 178.263 178.024 0.239 19162 1120 1 4 . 1 1 54 54 ARG CA C 54 58.230 58.230 59.474 -1.244 19162 1121 1 4 . 1 1 54 54 ARG CB C 54 29.368 29.368 30.045 -0.677 19162 1122 1 4 . 1 1 54 54 ARG H H 54 7.665 7.665 7.859 -0.194 19162 1123 1 4 . 1 1 55 55 LEU N N 55 117.888 117.888 118.902 -1.014 19162 1124 1 4 . 1 1 55 55 LEU C C 55 177.649 177.649 178.273 -0.624 19162 1125 1 4 . 1 1 55 55 LEU CA C 55 56.521 56.521 57.275 -0.754 19162 1126 1 4 . 1 1 55 55 LEU CB C 55 42.097 42.097 41.938 0.159 19162 1127 1 4 . 1 1 55 55 LEU H H 55 7.789 7.789 7.537 0.252 19162 1128 1 4 . 1 1 56 56 LEU N N 56 116.146 116.146 118.526 -2.380 19162 1129 1 4 . 1 1 56 56 LEU C C 56 176.930 176.930 178.513 -1.583 19162 1130 1 4 . 1 1 56 56 LEU CA C 56 55.333 55.333 57.206 -1.873 19162 1131 1 4 . 1 1 56 56 LEU CB C 56 41.990 41.990 41.888 0.102 19162 1132 1 4 . 1 1 56 56 LEU H H 56 7.693 7.693 7.331 0.362 19162 1133 1 4 . 1 1 57 57 ARG N N 57 118.897 118.897 120.130 -1.233 19162 1134 1 4 . 1 1 57 57 ARG C C 57 173.795 173.795 175.994 -2.199 19162 1135 1 4 . 1 1 57 57 ARG CA C 57 54.919 54.919 59.730 -4.811 19162 1136 1 4 . 1 1 57 57 ARG CB C 57 29.153 29.153 28.560 0.593 19162 1137 1 4 . 1 1 57 57 ARG H H 57 7.856 7.856 8.157 -0.301 19162 1138 1 4 . 1 1 58 58 PRO C C 58 177.009 177.009 176.597 0.412 19162 1139 1 4 . 1 1 58 58 PRO CA C 58 63.611 63.611 63.592 0.019 19162 1140 1 4 . 1 1 58 58 PRO CB C 58 31.027 31.027 31.757 -0.730 19162 1141 1 4 . 1 1 59 59 HIS N N 59 119.264 119.264 116.929 2.335 19162 1142 1 4 . 1 1 59 59 HIS C C 59 175.520 175.520 174.190 1.330 19162 1143 1 4 . 1 1 59 59 HIS CA C 59 56.574 56.574 57.431 -0.857 19162 1144 1 4 . 1 1 59 59 HIS CB C 59 30.446 30.446 30.408 0.038 19162 1145 1 4 . 1 1 59 59 HIS H H 59 8.375 8.375 8.016 0.359 19162 1146 1 4 . 1 1 60 60 ARG N N 60 122.382 122.382 120.954 1.428 19162 1147 1 4 . 1 1 60 60 ARG C C 60 175.598 175.598 173.758 1.840 19162 1148 1 4 . 1 1 60 60 ARG CA C 60 55.751 55.751 55.833 -0.082 19162 1149 1 4 . 1 1 60 60 ARG CB C 60 30.064 30.064 31.846 -1.782 19162 1150 1 4 . 1 1 60 60 ARG H H 60 7.980 7.980 7.920 0.060 19162 1151 1 4 . 1 1 61 61 ALA N N 61 125.041 125.041 122.148 2.893 19162 1152 1 4 . 1 1 61 61 ALA C C 61 177.401 177.401 176.319 1.082 19162 1153 1 4 . 1 1 61 61 ALA CA C 61 52.228 52.228 52.646 -0.418 19162 1154 1 4 . 1 1 61 61 ALA CB C 61 18.804 18.804 19.289 -0.485 19162 1155 1 4 . 1 1 61 61 ALA H H 61 8.320 8.320 8.517 -0.197 19162 1156 1 4 . 1 1 62 62 LEU N N 62 121.281 121.281 121.823 -0.542 19162 1157 1 4 . 1 1 62 62 LEU C C 62 175.911 175.911 177.705 -1.794 19162 1158 1 4 . 1 1 62 62 LEU CA C 62 54.919 54.919 54.188 0.731 19162 1159 1 4 . 1 1 62 62 LEU CB C 62 41.657 41.657 40.443 1.214 19162 1160 1 4 . 1 1 62 62 LEU H H 62 8.115 8.115 8.139 -0.024 19162 1161 1 5 . 1 1 2 2 ALA C C 2 178.255 178.255 177.200 1.055 19162 1162 1 5 . 1 1 2 2 ALA CA C 2 53.263 53.263 52.504 0.759 19162 1163 1 5 . 1 1 2 2 ALA CB C 2 18.411 18.411 18.791 -0.380 19162 1164 1 5 . 1 1 3 3 LYS N N 3 119.081 119.081 121.514 -2.433 19162 1165 1 5 . 1 1 3 3 LYS C C 3 176.752 176.752 175.310 1.442 19162 1166 1 5 . 1 1 3 3 LYS CA C 3 57.816 57.816 57.362 0.454 19162 1167 1 5 . 1 1 3 3 LYS CB C 3 31.751 31.751 31.100 0.651 19162 1168 1 5 . 1 1 3 3 LYS H H 3 8.607 8.607 8.775 -0.168 19162 1169 1 5 . 1 1 4 4 ASN N N 4 118.255 118.255 114.305 3.950 19162 1170 1 5 . 1 1 4 4 ASN C C 4 176.029 176.029 176.605 -0.576 19162 1171 1 5 . 1 1 4 4 ASN CA C 4 54.712 54.712 54.232 0.480 19162 1172 1 5 . 1 1 4 4 ASN CB C 4 38.244 38.244 40.092 -1.848 19162 1173 1 5 . 1 1 4 4 ASN H H 4 8.185 8.185 8.479 -0.294 19162 1174 1 5 . 1 1 5 5 VAL N N 5 119.998 119.998 121.375 -1.377 19162 1175 1 5 . 1 1 5 5 VAL C C 5 177.259 177.259 177.633 -0.374 19162 1176 1 5 . 1 1 5 5 VAL CA C 5 64.232 64.232 66.644 -2.412 19162 1177 1 5 . 1 1 5 5 VAL CB C 5 31.524 31.524 31.227 0.297 19162 1178 1 5 . 1 1 5 5 VAL H H 5 7.857 7.857 7.387 0.470 19162 1179 1 5 . 1 1 6 6 ILE N N 6 122.474 122.474 119.229 3.245 19162 1180 1 5 . 1 1 6 6 ILE C C 6 177.009 177.009 178.115 -1.106 19162 1181 1 5 . 1 1 6 6 ILE CA C 6 63.400 63.400 64.604 -1.204 19162 1182 1 5 . 1 1 6 6 ILE CB C 6 37.177 37.177 37.604 -0.427 19162 1183 1 5 . 1 1 6 6 ILE H H 6 8.062 8.062 8.036 0.026 19162 1184 1 5 . 1 1 7 7 VAL N N 7 120.915 120.915 119.610 1.305 19162 1185 1 5 . 1 1 7 7 VAL C C 7 177.009 177.009 177.760 -0.751 19162 1186 1 5 . 1 1 7 7 VAL CA C 7 65.017 65.017 66.343 -1.326 19162 1187 1 5 . 1 1 7 7 VAL CB C 7 31.309 31.309 31.339 -0.030 19162 1188 1 5 . 1 1 7 7 VAL H H 7 7.993 7.993 7.420 0.573 19162 1189 1 5 . 1 1 8 8 LEU N N 8 121.098 121.098 119.577 1.521 19162 1190 1 5 . 1 1 8 8 LEU C C 8 178.655 178.655 178.737 -0.082 19162 1191 1 5 . 1 1 8 8 LEU CA C 8 56.781 56.781 58.570 -1.789 19162 1192 1 5 . 1 1 8 8 LEU CB C 8 41.010 41.010 41.410 -0.400 19162 1193 1 5 . 1 1 8 8 LEU H H 8 8.061 8.061 7.712 0.349 19162 1194 1 5 . 1 1 9 9 ASN N N 9 118.347 118.347 117.124 1.223 19162 1195 1 5 . 1 1 9 9 ASN C C 9 176.695 176.695 177.125 -0.430 19162 1196 1 5 . 1 1 9 9 ASN CA C 9 54.919 54.919 56.243 -1.324 19162 1197 1 5 . 1 1 9 9 ASN CB C 9 38.674 38.674 38.303 0.371 19162 1198 1 5 . 1 1 9 9 ASN H H 9 8.102 8.102 7.519 0.583 19162 1199 1 5 . 1 1 10 10 ALA N N 10 124.124 124.124 121.999 2.125 19162 1200 1 5 . 1 1 10 10 ALA C C 10 178.263 178.263 179.301 -1.038 19162 1201 1 5 . 1 1 10 10 ALA CA C 10 54.505 54.505 54.889 -0.384 19162 1202 1 5 . 1 1 10 10 ALA CB C 10 17.942 17.942 18.116 -0.174 19162 1203 1 5 . 1 1 10 10 ALA H H 10 8.388 8.388 7.703 0.685 19162 1204 1 5 . 1 1 11 11 ALA N N 11 119.814 119.814 119.463 0.351 19162 1205 1 5 . 1 1 11 11 ALA C C 11 179.204 179.204 179.523 -0.319 19162 1206 1 5 . 1 1 11 11 ALA CA C 11 54.298 54.298 55.022 -0.724 19162 1207 1 5 . 1 1 11 11 ALA CB C 11 17.942 17.942 17.946 -0.004 19162 1208 1 5 . 1 1 11 11 ALA H H 11 8.279 8.279 7.841 0.438 19162 1209 1 5 . 1 1 12 12 SER N N 12 113.303 113.303 114.564 -1.261 19162 1210 1 5 . 1 1 12 12 SER C C 12 175.873 175.873 176.346 -0.473 19162 1211 1 5 . 1 1 12 12 SER CA C 12 60.140 60.140 61.329 -1.189 19162 1212 1 5 . 1 1 12 12 SER CB C 12 63.221 63.221 62.781 0.440 19162 1213 1 5 . 1 1 12 12 SER H H 12 7.952 7.952 7.488 0.464 19162 1214 1 5 . 1 1 13 13 ALA N N 13 124.308 124.308 123.447 0.861 19162 1215 1 5 . 1 1 13 13 ALA C C 13 178.420 178.420 178.884 -0.464 19162 1216 1 5 . 1 1 13 13 ALA CA C 13 53.470 53.470 54.706 -1.236 19162 1217 1 5 . 1 1 13 13 ALA CB C 13 18.373 18.373 18.184 0.189 19162 1218 1 5 . 1 1 13 13 ALA H H 13 7.924 7.924 7.395 0.529 19162 1219 1 5 . 1 1 14 14 ALA N N 14 119.998 119.998 120.852 -0.854 19162 1220 1 5 . 1 1 14 14 ALA C C 14 178.420 178.420 179.592 -1.172 19162 1221 1 5 . 1 1 14 14 ALA CA C 14 53.263 53.263 54.116 -0.853 19162 1222 1 5 . 1 1 14 14 ALA CB C 14 18.373 18.373 18.480 -0.107 19162 1223 1 5 . 1 1 14 14 ALA H H 14 7.965 7.965 7.466 0.499 19162 1224 1 5 . 1 1 15 15 GLY N N 15 105.417 105.417 107.192 -1.775 19162 1225 1 5 . 1 1 15 15 GLY C C 15 174.422 174.422 175.865 -1.443 19162 1226 1 5 . 1 1 15 15 GLY CA C 15 45.605 45.605 46.334 -0.729 19162 1227 1 5 . 1 1 15 15 GLY H H 15 8.020 8.020 7.682 0.338 19162 1228 1 5 . 1 1 16 16 ASN N N 16 118.989 118.989 118.425 0.564 19162 1229 1 5 . 1 1 16 16 ASN C C 16 175.598 175.598 176.141 -0.543 19162 1230 1 5 . 1 1 16 16 ASN CA C 16 53.677 53.677 55.446 -1.769 19162 1231 1 5 . 1 1 16 16 ASN CB C 16 38.621 38.621 38.705 -0.083 19162 1232 1 5 . 1 1 16 16 ASN H H 16 8.156 8.156 7.423 0.733 19162 1233 1 5 . 1 1 17 17 HIS N N 17 119.081 119.081 120.215 -1.134 19162 1234 1 5 . 1 1 17 17 HIS C C 17 176.068 176.068 174.911 1.157 19162 1235 1 5 . 1 1 17 17 HIS CA C 17 56.781 56.781 56.934 -0.153 19162 1236 1 5 . 1 1 17 17 HIS CB C 17 29.942 29.942 28.702 1.240 19162 1237 1 5 . 1 1 17 17 HIS H H 17 8.322 8.322 7.668 0.654 19162 1238 1 5 . 1 1 18 18 GLY N N 18 109.543 109.543 111.650 -2.107 19162 1239 1 5 . 1 1 18 18 GLY C C 18 175.206 175.206 173.902 1.304 19162 1240 1 5 . 1 1 18 18 GLY CA C 18 47.054 47.054 45.061 1.993 19162 1241 1 5 . 1 1 18 18 GLY H H 18 8.607 8.607 7.990 0.617 19162 1242 1 5 . 1 1 19 19 PHE N N 19 120.640 120.640 126.064 -5.424 19162 1243 1 5 . 1 1 19 19 PHE C C 19 176.695 176.695 175.400 1.295 19162 1244 1 5 . 1 1 19 19 PHE CA C 19 60.507 60.507 59.890 0.617 19162 1245 1 5 . 1 1 19 19 PHE CB C 19 38.638 38.638 38.895 -0.257 19162 1246 1 5 . 1 1 19 19 PHE H H 19 8.716 8.716 8.692 0.024 19162 1247 1 5 . 1 1 20 20 PHE N N 20 118.989 118.989 116.603 2.386 19162 1248 1 5 . 1 1 20 20 PHE C C 20 176.617 176.617 177.563 -0.946 19162 1249 1 5 . 1 1 20 20 PHE CA C 20 61.334 61.334 60.876 0.458 19162 1250 1 5 . 1 1 20 20 PHE CB C 20 38.460 38.460 38.117 0.343 19162 1251 1 5 . 1 1 20 20 PHE H H 20 8.143 8.143 7.694 0.449 19162 1252 1 5 . 1 1 21 21 TRP N N 21 118.897 118.897 120.966 -2.069 19162 1253 1 5 . 1 1 21 21 TRP C C 21 178.577 178.577 178.204 0.373 19162 1254 1 5 . 1 1 21 21 TRP CA C 21 59.691 59.691 59.487 0.204 19162 1255 1 5 . 1 1 21 21 TRP CB C 21 29.636 29.636 30.007 -0.371 19162 1256 1 5 . 1 1 21 21 TRP H H 21 7.911 7.911 8.578 -0.667 19162 1257 1 5 . 1 1 22 22 GLY N N 22 105.692 105.692 105.776 -0.084 19162 1258 1 5 . 1 1 22 22 GLY C C 22 174.657 174.657 175.461 -0.804 19162 1259 1 5 . 1 1 22 22 GLY CA C 22 47.261 47.261 46.992 0.269 19162 1260 1 5 . 1 1 22 22 GLY H H 22 8.306 8.306 7.729 0.577 19162 1261 1 5 . 1 1 23 23 LEU N N 23 121.557 121.557 121.080 0.477 19162 1262 1 5 . 1 1 23 23 LEU C C 23 179.752 179.752 178.396 1.356 19162 1263 1 5 . 1 1 23 23 LEU CA C 23 57.402 57.402 56.787 0.615 19162 1264 1 5 . 1 1 23 23 LEU CB C 23 40.579 40.579 41.441 -0.862 19162 1265 1 5 . 1 1 23 23 LEU H H 23 7.993 7.993 7.002 0.991 19162 1266 1 5 . 1 1 24 24 LEU N N 24 122.382 122.382 119.930 2.452 19162 1267 1 5 . 1 1 24 24 LEU C C 24 178.185 178.185 178.679 -0.494 19162 1268 1 5 . 1 1 24 24 LEU CA C 24 58.437 58.437 57.564 0.873 19162 1269 1 5 . 1 1 24 24 LEU CB C 24 40.439 40.439 41.571 -1.132 19162 1270 1 5 . 1 1 24 24 LEU H H 24 8.047 8.047 7.262 0.785 19162 1271 1 5 . 1 1 25 25 VAL N N 25 118.255 118.255 116.230 2.025 19162 1272 1 5 . 1 1 25 25 VAL C C 25 177.636 177.636 177.983 -0.347 19162 1273 1 5 . 1 1 25 25 VAL CA C 25 67.129 67.129 65.784 1.345 19162 1274 1 5 . 1 1 25 25 VAL CB C 25 30.813 30.813 30.186 0.627 19162 1275 1 5 . 1 1 25 25 VAL H H 25 8.102 8.102 6.965 1.137 19162 1276 1 5 . 1 1 26 26 VAL N N 26 118.072 118.072 120.476 -2.404 19162 1277 1 5 . 1 1 26 26 VAL C C 26 177.322 177.322 178.207 -0.885 19162 1278 1 5 . 1 1 26 26 VAL CA C 26 66.686 66.686 66.810 -0.124 19162 1279 1 5 . 1 1 26 26 VAL CB C 26 30.653 30.653 30.928 -0.275 19162 1280 1 5 . 1 1 26 26 VAL H H 26 8.088 8.088 7.399 0.689 19162 1281 1 5 . 1 1 27 27 THR N N 27 116.788 116.788 115.263 1.525 19162 1282 1 5 . 1 1 27 27 THR C C 27 177.322 177.322 176.214 1.108 19162 1283 1 5 . 1 1 27 27 THR CA C 27 67.750 67.750 66.219 1.531 19162 1284 1 5 . 1 1 27 27 THR H H 27 8.047 8.047 7.959 0.088 19162 1285 1 5 . 1 1 28 28 LEU N N 28 122.932 122.932 122.667 0.265 19162 1286 1 5 . 1 1 28 28 LEU C C 28 178.499 178.499 178.554 -0.055 19162 1287 1 5 . 1 1 28 28 LEU CA C 28 58.230 58.230 57.947 0.283 19162 1288 1 5 . 1 1 28 28 LEU CB C 28 40.794 40.794 41.069 -0.276 19162 1289 1 5 . 1 1 28 28 LEU H H 28 8.429 8.429 7.814 0.615 19162 1290 1 5 . 1 1 29 29 ALA N N 29 121.190 121.190 121.854 -0.664 19162 1291 1 5 . 1 1 29 29 ALA C C 29 178.890 178.890 179.357 -0.467 19162 1292 1 5 . 1 1 29 29 ALA CA C 29 55.333 55.333 54.809 0.524 19162 1293 1 5 . 1 1 29 29 ALA CB C 29 17.727 17.727 18.185 -0.458 19162 1294 1 5 . 1 1 29 29 ALA H H 29 8.607 8.607 7.452 1.155 19162 1295 1 5 . 1 1 30 30 TRP N N 30 118.622 118.622 118.632 -0.010 19162 1296 1 5 . 1 1 30 30 TRP C C 30 178.420 178.420 179.371 -0.951 19162 1297 1 5 . 1 1 30 30 TRP CA C 30 60.300 60.300 60.732 -0.432 19162 1298 1 5 . 1 1 30 30 TRP CB C 30 28.937 28.937 29.587 -0.650 19162 1299 1 5 . 1 1 30 30 TRP H H 30 8.538 8.538 7.757 0.781 19162 1300 1 5 . 1 1 31 31 HIS N N 31 117.888 117.888 117.618 0.270 19162 1301 1 5 . 1 1 31 31 HIS C C 31 177.949 177.949 177.912 0.037 19162 1302 1 5 . 1 1 31 31 HIS CA C 31 59.886 59.886 58.289 1.597 19162 1303 1 5 . 1 1 31 31 HIS CB C 31 30.015 30.015 29.192 0.823 19162 1304 1 5 . 1 1 31 31 HIS H H 31 8.238 8.238 7.778 0.460 19162 1305 1 5 . 1 1 32 32 VAL N N 32 116.788 116.788 115.131 1.657 19162 1306 1 5 . 1 1 32 32 VAL C C 32 177.401 177.401 176.950 0.451 19162 1307 1 5 . 1 1 32 32 VAL CA C 32 64.853 64.853 64.132 0.721 19162 1308 1 5 . 1 1 32 32 VAL CB C 32 30.877 30.877 31.104 -0.227 19162 1309 1 5 . 1 1 32 32 VAL H H 32 8.429 8.429 7.644 0.785 19162 1310 1 5 . 1 1 33 33 LYS N N 33 120.548 120.548 121.548 -1.000 19162 1311 1 5 . 1 1 33 33 LYS C C 33 177.636 177.636 178.726 -1.090 19162 1312 1 5 . 1 1 33 33 LYS CA C 33 58.851 58.851 60.030 -1.179 19162 1313 1 5 . 1 1 33 33 LYS CB C 33 31.134 31.134 31.793 -0.658 19162 1314 1 5 . 1 1 33 33 LYS H H 33 8.047 8.047 7.676 0.371 19162 1315 1 5 . 1 1 34 34 GLY N N 34 106.701 106.701 104.895 1.806 19162 1316 1 5 . 1 1 34 34 GLY C C 34 174.814 174.814 176.522 -1.708 19162 1317 1 5 . 1 1 34 34 GLY CA C 34 46.019 46.019 46.690 -0.671 19162 1318 1 5 . 1 1 34 34 GLY H H 34 7.938 7.938 8.027 -0.089 19162 1319 1 5 . 1 1 35 35 ARG N N 35 118.164 118.164 121.556 -3.392 19162 1320 1 5 . 1 1 35 35 ARG C C 35 176.460 176.460 178.370 -1.910 19162 1321 1 5 . 1 1 35 35 ARG CA C 35 55.954 55.954 58.679 -2.725 19162 1322 1 5 . 1 1 35 35 ARG CB C 35 29.799 29.799 29.952 -0.153 19162 1323 1 5 . 1 1 35 35 ARG H H 35 7.624 7.624 7.615 0.009 19162 1324 1 5 . 1 1 36 36 LEU N N 36 118.897 118.897 119.875 -0.978 19162 1325 1 5 . 1 1 36 36 LEU C C 36 176.539 176.539 178.387 -1.848 19162 1326 1 5 . 1 1 36 36 LEU CA C 36 55.540 55.540 57.880 -2.340 19162 1327 1 5 . 1 1 36 36 LEU CB C 36 42.303 42.303 41.975 0.328 19162 1328 1 5 . 1 1 36 36 LEU H H 36 7.720 7.720 8.271 -0.551 19162 1329 1 5 . 1 1 37 37 VAL N N 37 118.530 118.530 117.767 0.763 19162 1330 1 5 . 1 1 37 37 VAL C C 37 173.804 173.804 175.716 -1.912 19162 1331 1 5 . 1 1 37 37 VAL CA C 37 59.472 59.472 67.157 -7.685 19162 1332 1 5 . 1 1 37 37 VAL CB C 37 31.722 31.722 28.399 3.323 19162 1333 1 5 . 1 1 37 37 VAL H H 37 7.911 7.911 7.513 0.398 19162 1334 1 5 . 1 1 38 38 PRO C C 38 177.636 177.636 178.415 -0.779 19162 1335 1 5 . 1 1 38 38 PRO CA C 38 63.611 63.611 65.202 -1.591 19162 1336 1 5 . 1 1 38 38 PRO CB C 38 31.093 31.093 31.394 -0.301 19162 1337 1 5 . 1 1 39 39 GLY N N 39 109.268 109.268 106.301 2.967 19162 1338 1 5 . 1 1 39 39 GLY C C 39 174.422 174.422 175.918 -1.496 19162 1339 1 5 . 1 1 39 39 GLY CA C 39 45.192 45.192 46.072 -0.880 19162 1340 1 5 . 1 1 39 39 GLY H H 39 8.525 8.525 7.715 0.810 19162 1341 1 5 . 1 1 40 40 ALA N N 40 123.391 123.391 123.784 -0.393 19162 1342 1 5 . 1 1 40 40 ALA C C 40 178.028 178.028 177.985 0.043 19162 1343 1 5 . 1 1 40 40 ALA CA C 40 52.642 52.642 53.837 -1.195 19162 1344 1 5 . 1 1 40 40 ALA CB C 40 18.804 18.804 19.114 -0.310 19162 1345 1 5 . 1 1 40 40 ALA H H 40 7.965 7.965 7.647 0.318 19162 1346 1 5 . 1 1 41 41 THR N N 41 113.028 113.028 111.529 1.499 19162 1347 1 5 . 1 1 41 41 THR C C 41 175.363 175.363 173.695 1.668 19162 1348 1 5 . 1 1 41 41 THR CA C 41 62.162 62.162 61.918 0.244 19162 1349 1 5 . 1 1 41 41 THR CB C 41 69.467 69.467 68.969 0.498 19162 1350 1 5 . 1 1 41 41 THR H H 41 8.115 8.115 7.501 0.614 19162 1351 1 5 . 1 1 42 42 TYR N N 42 121.373 121.373 125.159 -3.786 19162 1352 1 5 . 1 1 42 42 TYR C C 42 176.303 176.303 174.144 2.159 19162 1353 1 5 . 1 1 42 42 TYR CA C 42 59.473 59.473 57.252 2.221 19162 1354 1 5 . 1 1 42 42 TYR CB C 42 37.992 37.992 37.983 0.009 19162 1355 1 5 . 1 1 42 42 TYR H H 42 8.429 8.429 7.705 0.724 19162 1356 1 5 . 1 1 43 43 LEU N N 43 119.906 119.906 120.899 -0.993 19162 1357 1 5 . 1 1 43 43 LEU C C 43 177.405 177.405 175.613 1.792 19162 1358 1 5 . 1 1 43 43 LEU CA C 43 55.540 55.540 53.620 1.920 19162 1359 1 5 . 1 1 43 43 LEU CB C 43 41.455 41.455 44.238 -2.783 19162 1360 1 5 . 1 1 43 43 LEU H H 43 7.899 7.899 8.386 -0.487 19162 1361 1 5 . 1 1 44 44 SER N N 44 115.779 115.779 115.125 0.654 19162 1362 1 5 . 1 1 44 44 SER C C 44 175.049 175.049 174.323 0.726 19162 1363 1 5 . 1 1 44 44 SER CA C 44 59.058 59.058 57.595 1.463 19162 1364 1 5 . 1 1 44 44 SER CB C 44 63.649 63.649 63.402 0.247 19162 1365 1 5 . 1 1 44 44 SER H H 44 7.979 7.979 8.265 -0.286 19162 1366 1 5 . 1 1 45 45 LEU N N 45 122.199 122.199 127.623 -5.424 19162 1367 1 5 . 1 1 45 45 LEU C C 45 177.322 177.322 178.693 -1.371 19162 1368 1 5 . 1 1 45 45 LEU CA C 45 55.747 55.747 55.005 0.743 19162 1369 1 5 . 1 1 45 45 LEU CB C 45 41.441 41.441 41.868 -0.427 19162 1370 1 5 . 1 1 45 45 LEU H H 45 8.211 8.211 8.896 -0.685 19162 1371 1 5 . 1 1 46 46 GLY N N 46 105.325 105.325 107.505 -2.180 19162 1372 1 5 . 1 1 46 46 GLY C C 46 174.422 174.422 175.041 -0.619 19162 1373 1 5 . 1 1 46 46 GLY CA C 46 45.812 45.812 45.708 0.104 19162 1374 1 5 . 1 1 46 46 GLY H H 46 8.129 8.129 8.532 -0.403 19162 1375 1 5 . 1 1 47 47 VAL N N 47 117.063 117.063 118.892 -1.829 19162 1376 1 5 . 1 1 47 47 VAL C C 47 177.087 177.087 176.534 0.553 19162 1377 1 5 . 1 1 47 47 VAL CA C 47 62.783 62.783 62.374 0.409 19162 1378 1 5 . 1 1 47 47 VAL CB C 47 31.524 31.524 32.930 -1.406 19162 1379 1 5 . 1 1 47 47 VAL H H 47 7.897 7.897 7.647 0.250 19162 1380 1 5 . 1 1 48 48 TRP N N 48 121.465 121.465 124.180 -2.715 19162 1381 1 5 . 1 1 48 48 TRP C C 48 175.284 175.284 175.449 -0.165 19162 1382 1 5 . 1 1 48 48 TRP CA C 48 60.921 60.921 61.666 -0.745 19162 1383 1 5 . 1 1 48 48 TRP CB C 48 27.644 27.644 27.596 0.048 19162 1384 1 5 . 1 1 48 48 TRP H H 48 7.938 7.938 8.565 -0.627 19162 1385 1 5 . 1 1 49 49 PRO C C 49 177.610 177.610 178.556 -0.946 19162 1386 1 5 . 1 1 49 49 PRO CA C 49 65.888 65.888 65.162 0.727 19162 1387 1 5 . 1 1 49 49 PRO CB C 49 30.599 30.599 31.497 -0.898 19162 1388 1 5 . 1 1 50 50 LEU N N 50 115.596 115.596 118.896 -3.300 19162 1389 1 5 . 1 1 50 50 LEU C C 50 179.125 179.125 179.325 -0.200 19162 1390 1 5 . 1 1 50 50 LEU CA C 50 57.195 57.195 57.675 -0.480 19162 1391 1 5 . 1 1 50 50 LEU CB C 50 40.579 40.579 41.636 -1.057 19162 1392 1 5 . 1 1 50 50 LEU H H 50 7.215 7.215 7.937 -0.722 19162 1393 1 5 . 1 1 51 51 LEU N N 51 119.906 119.906 119.107 0.799 19162 1394 1 5 . 1 1 51 51 LEU C C 51 178.812 178.812 179.075 -0.263 19162 1395 1 5 . 1 1 51 51 LEU CA C 51 57.402 57.402 57.871 -0.469 19162 1396 1 5 . 1 1 51 51 LEU CB C 51 41.027 41.027 41.467 -0.440 19162 1397 1 5 . 1 1 51 51 LEU H H 51 7.856 7.856 7.434 0.422 19162 1398 1 5 . 1 1 52 52 LEU N N 52 117.980 117.980 118.218 -0.238 19162 1399 1 5 . 1 1 52 52 LEU C C 52 178.655 178.655 179.168 -0.513 19162 1400 1 5 . 1 1 52 52 LEU CA C 52 57.753 57.753 57.566 0.187 19162 1401 1 5 . 1 1 52 52 LEU CB C 52 40.974 40.974 41.124 -0.150 19162 1402 1 5 . 1 1 52 52 LEU H H 52 7.965 7.965 7.351 0.614 19162 1403 1 5 . 1 1 53 53 VAL N N 53 117.063 117.063 118.916 -1.853 19162 1404 1 5 . 1 1 53 53 VAL C C 53 177.636 177.636 177.752 -0.116 19162 1405 1 5 . 1 1 53 53 VAL CA C 53 66.302 66.302 66.110 0.192 19162 1406 1 5 . 1 1 53 53 VAL CB C 53 30.877 30.877 31.211 -0.334 19162 1407 1 5 . 1 1 53 53 VAL H H 53 7.774 7.774 7.748 0.026 19162 1408 1 5 . 1 1 54 54 ARG N N 54 118.439 118.439 119.831 -1.392 19162 1409 1 5 . 1 1 54 54 ARG C C 54 178.263 178.263 177.797 0.466 19162 1410 1 5 . 1 1 54 54 ARG CA C 54 58.230 58.230 59.479 -1.249 19162 1411 1 5 . 1 1 54 54 ARG CB C 54 29.368 29.368 29.890 -0.522 19162 1412 1 5 . 1 1 54 54 ARG H H 54 7.665 7.665 7.723 -0.058 19162 1413 1 5 . 1 1 55 55 LEU N N 55 117.888 117.888 118.501 -0.613 19162 1414 1 5 . 1 1 55 55 LEU C C 55 177.649 177.649 178.584 -0.935 19162 1415 1 5 . 1 1 55 55 LEU CA C 55 56.521 56.521 57.029 -0.508 19162 1416 1 5 . 1 1 55 55 LEU CB C 55 42.097 42.097 42.148 -0.051 19162 1417 1 5 . 1 1 55 55 LEU H H 55 7.789 7.789 7.527 0.262 19162 1418 1 5 . 1 1 56 56 LEU N N 56 116.146 116.146 118.712 -2.566 19162 1419 1 5 . 1 1 56 56 LEU C C 56 176.930 176.930 177.952 -1.022 19162 1420 1 5 . 1 1 56 56 LEU CA C 56 55.333 55.333 57.045 -1.712 19162 1421 1 5 . 1 1 56 56 LEU CB C 56 41.990 41.990 41.964 0.026 19162 1422 1 5 . 1 1 56 56 LEU H H 56 7.693 7.693 7.323 0.370 19162 1423 1 5 . 1 1 57 57 ARG N N 57 118.897 118.897 119.825 -0.928 19162 1424 1 5 . 1 1 57 57 ARG C C 57 173.795 173.795 176.312 -2.517 19162 1425 1 5 . 1 1 57 57 ARG CA C 57 54.919 54.919 59.710 -4.791 19162 1426 1 5 . 1 1 57 57 ARG CB C 57 29.153 29.153 28.662 0.491 19162 1427 1 5 . 1 1 57 57 ARG H H 57 7.856 7.856 8.133 -0.277 19162 1428 1 5 . 1 1 58 58 PRO C C 58 177.009 177.009 176.526 0.483 19162 1429 1 5 . 1 1 58 58 PRO CA C 58 63.611 63.611 63.653 -0.042 19162 1430 1 5 . 1 1 58 58 PRO CB C 58 31.027 31.027 31.779 -0.752 19162 1431 1 5 . 1 1 59 59 HIS N N 59 119.264 119.264 116.351 2.913 19162 1432 1 5 . 1 1 59 59 HIS C C 59 175.520 175.520 174.250 1.270 19162 1433 1 5 . 1 1 59 59 HIS CA C 59 56.574 56.574 57.165 -0.591 19162 1434 1 5 . 1 1 59 59 HIS CB C 59 30.446 30.446 30.536 -0.090 19162 1435 1 5 . 1 1 59 59 HIS H H 59 8.375 8.375 8.064 0.311 19162 1436 1 5 . 1 1 60 60 ARG N N 60 122.382 122.382 122.815 -0.433 19162 1437 1 5 . 1 1 60 60 ARG C C 60 175.598 175.598 173.908 1.690 19162 1438 1 5 . 1 1 60 60 ARG CA C 60 55.751 55.751 55.719 0.032 19162 1439 1 5 . 1 1 60 60 ARG CB C 60 30.064 30.064 32.252 -2.188 19162 1440 1 5 . 1 1 60 60 ARG H H 60 7.980 7.980 8.554 -0.574 19162 1441 1 5 . 1 1 61 61 ALA N N 61 125.041 125.041 120.900 4.141 19162 1442 1 5 . 1 1 61 61 ALA C C 61 177.401 177.401 176.441 0.960 19162 1443 1 5 . 1 1 61 61 ALA CA C 61 52.228 52.228 52.107 0.121 19162 1444 1 5 . 1 1 61 61 ALA CB C 61 18.804 18.804 19.375 -0.571 19162 1445 1 5 . 1 1 61 61 ALA H H 61 8.320 8.320 8.403 -0.083 19162 1446 1 5 . 1 1 62 62 LEU N N 62 121.281 121.281 120.347 0.934 19162 1447 1 5 . 1 1 62 62 LEU C C 62 175.911 175.911 178.132 -2.221 19162 1448 1 5 . 1 1 62 62 LEU CA C 62 54.919 54.919 55.829 -0.910 19162 1449 1 5 . 1 1 62 62 LEU CB C 62 41.657 41.657 41.575 0.082 19162 1450 1 5 . 1 1 62 62 LEU H H 62 8.115 8.115 8.345 -0.230 19162 1451 1 6 . 1 1 2 2 ALA C C 2 178.255 178.255 178.416 -0.161 19162 1452 1 6 . 1 1 2 2 ALA CA C 2 53.263 53.263 54.042 -0.779 19162 1453 1 6 . 1 1 2 2 ALA CB C 2 18.411 18.411 19.139 -0.728 19162 1454 1 6 . 1 1 3 3 LYS N N 3 119.081 119.081 119.813 -0.732 19162 1455 1 6 . 1 1 3 3 LYS C C 3 176.752 176.752 175.594 1.158 19162 1456 1 6 . 1 1 3 3 LYS CA C 3 57.816 57.816 56.429 1.387 19162 1457 1 6 . 1 1 3 3 LYS CB C 3 31.751 31.751 30.885 0.866 19162 1458 1 6 . 1 1 3 3 LYS H H 3 8.607 8.607 8.474 0.133 19162 1459 1 6 . 1 1 4 4 ASN N N 4 118.255 118.255 119.946 -1.691 19162 1460 1 6 . 1 1 4 4 ASN C C 4 176.029 176.029 176.163 -0.134 19162 1461 1 6 . 1 1 4 4 ASN CA C 4 54.712 54.712 54.539 0.173 19162 1462 1 6 . 1 1 4 4 ASN CB C 4 38.244 38.244 40.338 -2.094 19162 1463 1 6 . 1 1 4 4 ASN H H 4 8.185 8.185 8.328 -0.143 19162 1464 1 6 . 1 1 5 5 VAL N N 5 119.998 119.998 121.419 -1.421 19162 1465 1 6 . 1 1 5 5 VAL C C 5 177.259 177.259 177.878 -0.619 19162 1466 1 6 . 1 1 5 5 VAL CA C 5 64.232 64.232 66.500 -2.268 19162 1467 1 6 . 1 1 5 5 VAL CB C 5 31.524 31.524 31.352 0.172 19162 1468 1 6 . 1 1 5 5 VAL H H 5 7.857 7.857 7.732 0.125 19162 1469 1 6 . 1 1 6 6 ILE N N 6 122.474 122.474 118.559 3.915 19162 1470 1 6 . 1 1 6 6 ILE C C 6 177.009 177.009 178.176 -1.167 19162 1471 1 6 . 1 1 6 6 ILE CA C 6 63.400 63.400 64.641 -1.241 19162 1472 1 6 . 1 1 6 6 ILE CB C 6 37.177 37.177 37.456 -0.279 19162 1473 1 6 . 1 1 6 6 ILE H H 6 8.062 8.062 7.994 0.068 19162 1474 1 6 . 1 1 7 7 VAL N N 7 120.915 120.915 119.491 1.424 19162 1475 1 6 . 1 1 7 7 VAL C C 7 177.009 177.009 178.196 -1.187 19162 1476 1 6 . 1 1 7 7 VAL CA C 7 65.017 65.017 65.888 -0.870 19162 1477 1 6 . 1 1 7 7 VAL CB C 7 31.309 31.309 30.962 0.347 19162 1478 1 6 . 1 1 7 7 VAL H H 7 7.993 7.993 7.455 0.538 19162 1479 1 6 . 1 1 8 8 LEU N N 8 121.098 121.098 119.658 1.440 19162 1480 1 6 . 1 1 8 8 LEU C C 8 178.655 178.655 178.662 -0.007 19162 1481 1 6 . 1 1 8 8 LEU CA C 8 56.781 56.781 58.624 -1.843 19162 1482 1 6 . 1 1 8 8 LEU CB C 8 41.010 41.010 41.262 -0.252 19162 1483 1 6 . 1 1 8 8 LEU H H 8 8.061 8.061 8.447 -0.386 19162 1484 1 6 . 1 1 9 9 ASN N N 9 118.347 118.347 117.334 1.013 19162 1485 1 6 . 1 1 9 9 ASN C C 9 176.695 176.695 177.200 -0.505 19162 1486 1 6 . 1 1 9 9 ASN CA C 9 54.919 54.919 55.992 -1.073 19162 1487 1 6 . 1 1 9 9 ASN CB C 9 38.674 38.674 37.982 0.692 19162 1488 1 6 . 1 1 9 9 ASN H H 9 8.102 8.102 7.549 0.553 19162 1489 1 6 . 1 1 10 10 ALA N N 10 124.124 124.124 121.979 2.145 19162 1490 1 6 . 1 1 10 10 ALA C C 10 178.263 178.263 179.423 -1.160 19162 1491 1 6 . 1 1 10 10 ALA CA C 10 54.505 54.505 54.963 -0.458 19162 1492 1 6 . 1 1 10 10 ALA CB C 10 17.942 17.942 18.125 -0.183 19162 1493 1 6 . 1 1 10 10 ALA H H 10 8.388 8.388 7.540 0.848 19162 1494 1 6 . 1 1 11 11 ALA N N 11 119.814 119.814 119.732 0.082 19162 1495 1 6 . 1 1 11 11 ALA C C 11 179.204 179.204 179.568 -0.364 19162 1496 1 6 . 1 1 11 11 ALA CA C 11 54.298 54.298 55.132 -0.834 19162 1497 1 6 . 1 1 11 11 ALA CB C 11 17.942 17.942 17.903 0.039 19162 1498 1 6 . 1 1 11 11 ALA H H 11 8.279 8.279 7.890 0.389 19162 1499 1 6 . 1 1 12 12 SER N N 12 113.303 113.303 114.366 -1.063 19162 1500 1 6 . 1 1 12 12 SER C C 12 175.873 175.873 176.517 -0.644 19162 1501 1 6 . 1 1 12 12 SER CA C 12 60.140 60.140 61.030 -0.890 19162 1502 1 6 . 1 1 12 12 SER CB C 12 63.221 63.221 62.776 0.445 19162 1503 1 6 . 1 1 12 12 SER H H 12 7.952 7.952 7.496 0.456 19162 1504 1 6 . 1 1 13 13 ALA N N 13 124.308 124.308 123.631 0.677 19162 1505 1 6 . 1 1 13 13 ALA C C 13 178.420 178.420 179.198 -0.778 19162 1506 1 6 . 1 1 13 13 ALA CA C 13 53.470 53.470 54.733 -1.263 19162 1507 1 6 . 1 1 13 13 ALA CB C 13 18.373 18.373 18.286 0.087 19162 1508 1 6 . 1 1 13 13 ALA H H 13 7.924 7.924 7.460 0.464 19162 1509 1 6 . 1 1 14 14 ALA N N 14 119.998 119.998 120.956 -0.958 19162 1510 1 6 . 1 1 14 14 ALA C C 14 178.420 178.420 179.740 -1.320 19162 1511 1 6 . 1 1 14 14 ALA CA C 14 53.263 53.263 54.489 -1.226 19162 1512 1 6 . 1 1 14 14 ALA CB C 14 18.373 18.373 18.568 -0.195 19162 1513 1 6 . 1 1 14 14 ALA H H 14 7.965 7.965 7.623 0.342 19162 1514 1 6 . 1 1 15 15 GLY N N 15 105.417 105.417 107.174 -1.757 19162 1515 1 6 . 1 1 15 15 GLY C C 15 174.422 174.422 175.875 -1.453 19162 1516 1 6 . 1 1 15 15 GLY CA C 15 45.605 45.605 46.253 -0.648 19162 1517 1 6 . 1 1 15 15 GLY H H 15 8.020 8.020 7.816 0.204 19162 1518 1 6 . 1 1 16 16 ASN N N 16 118.989 118.989 118.115 0.874 19162 1519 1 6 . 1 1 16 16 ASN C C 16 175.598 175.598 176.081 -0.483 19162 1520 1 6 . 1 1 16 16 ASN CA C 16 53.677 53.677 54.715 -1.038 19162 1521 1 6 . 1 1 16 16 ASN CB C 16 38.621 38.621 38.367 0.254 19162 1522 1 6 . 1 1 16 16 ASN H H 16 8.156 8.156 7.536 0.620 19162 1523 1 6 . 1 1 17 17 HIS N N 17 119.081 119.081 121.051 -1.970 19162 1524 1 6 . 1 1 17 17 HIS C C 17 176.068 176.068 174.472 1.596 19162 1525 1 6 . 1 1 17 17 HIS CA C 17 56.781 56.781 57.480 -0.699 19162 1526 1 6 . 1 1 17 17 HIS CB C 17 29.942 29.942 28.604 1.338 19162 1527 1 6 . 1 1 17 17 HIS H H 17 8.322 8.322 7.395 0.927 19162 1528 1 6 . 1 1 18 18 GLY N N 18 109.543 109.543 113.155 -3.612 19162 1529 1 6 . 1 1 18 18 GLY C C 18 175.206 175.206 173.244 1.962 19162 1530 1 6 . 1 1 18 18 GLY CA C 18 47.054 47.054 44.763 2.291 19162 1531 1 6 . 1 1 18 18 GLY H H 18 8.607 8.607 7.571 1.036 19162 1532 1 6 . 1 1 19 19 PHE N N 19 120.640 120.640 126.539 -5.899 19162 1533 1 6 . 1 1 19 19 PHE C C 19 176.695 176.695 175.499 1.196 19162 1534 1 6 . 1 1 19 19 PHE CA C 19 60.507 60.507 59.668 0.839 19162 1535 1 6 . 1 1 19 19 PHE CB C 19 38.638 38.638 38.517 0.121 19162 1536 1 6 . 1 1 19 19 PHE H H 19 8.716 8.716 8.583 0.133 19162 1537 1 6 . 1 1 20 20 PHE N N 20 118.989 118.989 116.478 2.511 19162 1538 1 6 . 1 1 20 20 PHE C C 20 176.617 176.617 177.639 -1.022 19162 1539 1 6 . 1 1 20 20 PHE CA C 20 61.334 61.334 61.026 0.308 19162 1540 1 6 . 1 1 20 20 PHE CB C 20 38.460 38.460 37.700 0.760 19162 1541 1 6 . 1 1 20 20 PHE H H 20 8.143 8.143 7.447 0.696 19162 1542 1 6 . 1 1 21 21 TRP N N 21 118.897 118.897 121.073 -2.176 19162 1543 1 6 . 1 1 21 21 TRP C C 21 178.577 178.577 178.380 0.197 19162 1544 1 6 . 1 1 21 21 TRP CA C 21 59.691 59.691 60.887 -1.196 19162 1545 1 6 . 1 1 21 21 TRP CB C 21 29.636 29.636 29.709 -0.073 19162 1546 1 6 . 1 1 21 21 TRP H H 21 7.911 7.911 8.506 -0.595 19162 1547 1 6 . 1 1 22 22 GLY N N 22 105.692 105.692 106.498 -0.806 19162 1548 1 6 . 1 1 22 22 GLY C C 22 174.657 174.657 175.595 -0.938 19162 1549 1 6 . 1 1 22 22 GLY CA C 22 47.261 47.261 46.975 0.286 19162 1550 1 6 . 1 1 22 22 GLY H H 22 8.306 8.306 7.835 0.471 19162 1551 1 6 . 1 1 23 23 LEU N N 23 121.557 121.557 122.882 -1.325 19162 1552 1 6 . 1 1 23 23 LEU C C 23 179.752 179.752 178.149 1.603 19162 1553 1 6 . 1 1 23 23 LEU CA C 23 57.402 57.402 57.357 0.045 19162 1554 1 6 . 1 1 23 23 LEU CB C 23 40.579 40.579 41.851 -1.272 19162 1555 1 6 . 1 1 23 23 LEU H H 23 7.993 7.993 7.522 0.471 19162 1556 1 6 . 1 1 24 24 LEU N N 24 122.382 122.382 119.430 2.952 19162 1557 1 6 . 1 1 24 24 LEU C C 24 178.185 178.185 178.721 -0.536 19162 1558 1 6 . 1 1 24 24 LEU CA C 24 58.437 58.437 57.673 0.764 19162 1559 1 6 . 1 1 24 24 LEU CB C 24 40.439 40.439 41.778 -1.339 19162 1560 1 6 . 1 1 24 24 LEU H H 24 8.047 8.047 7.281 0.766 19162 1561 1 6 . 1 1 25 25 VAL N N 25 118.255 118.255 116.176 2.079 19162 1562 1 6 . 1 1 25 25 VAL C C 25 177.636 177.636 177.646 -0.010 19162 1563 1 6 . 1 1 25 25 VAL CA C 25 67.129 67.129 65.876 1.253 19162 1564 1 6 . 1 1 25 25 VAL CB C 25 30.813 30.813 30.901 -0.088 19162 1565 1 6 . 1 1 25 25 VAL H H 25 8.102 8.102 7.004 1.098 19162 1566 1 6 . 1 1 26 26 VAL N N 26 118.072 118.072 120.472 -2.400 19162 1567 1 6 . 1 1 26 26 VAL C C 26 177.322 177.322 178.169 -0.847 19162 1568 1 6 . 1 1 26 26 VAL CA C 26 66.686 66.686 66.138 0.548 19162 1569 1 6 . 1 1 26 26 VAL CB C 26 30.653 30.653 31.336 -0.683 19162 1570 1 6 . 1 1 26 26 VAL H H 26 8.088 8.088 7.350 0.738 19162 1571 1 6 . 1 1 27 27 THR N N 27 116.788 116.788 115.093 1.695 19162 1572 1 6 . 1 1 27 27 THR C C 27 177.322 177.322 176.759 0.563 19162 1573 1 6 . 1 1 27 27 THR CA C 27 67.750 67.750 65.800 1.950 19162 1574 1 6 . 1 1 27 27 THR H H 27 8.047 8.047 7.817 0.230 19162 1575 1 6 . 1 1 28 28 LEU N N 28 122.932 122.932 121.847 1.085 19162 1576 1 6 . 1 1 28 28 LEU C C 28 178.499 178.499 178.928 -0.429 19162 1577 1 6 . 1 1 28 28 LEU CA C 28 58.230 58.230 57.945 0.285 19162 1578 1 6 . 1 1 28 28 LEU CB C 28 40.794 40.794 40.675 0.119 19162 1579 1 6 . 1 1 28 28 LEU H H 28 8.429 8.429 7.871 0.558 19162 1580 1 6 . 1 1 29 29 ALA N N 29 121.190 121.190 122.005 -0.815 19162 1581 1 6 . 1 1 29 29 ALA C C 29 178.890 178.890 179.385 -0.495 19162 1582 1 6 . 1 1 29 29 ALA CA C 29 55.333 55.333 54.875 0.458 19162 1583 1 6 . 1 1 29 29 ALA CB C 29 17.727 17.727 18.218 -0.492 19162 1584 1 6 . 1 1 29 29 ALA H H 29 8.607 8.607 7.649 0.958 19162 1585 1 6 . 1 1 30 30 TRP N N 30 118.622 118.622 118.899 -0.277 19162 1586 1 6 . 1 1 30 30 TRP C C 30 178.420 178.420 179.098 -0.678 19162 1587 1 6 . 1 1 30 30 TRP CA C 30 60.300 60.300 60.103 0.197 19162 1588 1 6 . 1 1 30 30 TRP CB C 30 28.937 28.937 29.405 -0.469 19162 1589 1 6 . 1 1 30 30 TRP H H 30 8.538 8.538 7.938 0.600 19162 1590 1 6 . 1 1 31 31 HIS N N 31 117.888 117.888 120.213 -2.325 19162 1591 1 6 . 1 1 31 31 HIS C C 31 177.949 177.949 177.499 0.450 19162 1592 1 6 . 1 1 31 31 HIS CA C 31 59.886 59.886 59.203 0.683 19162 1593 1 6 . 1 1 31 31 HIS CB C 31 30.015 30.015 29.819 0.196 19162 1594 1 6 . 1 1 31 31 HIS H H 31 8.238 8.238 8.076 0.162 19162 1595 1 6 . 1 1 32 32 VAL N N 32 116.788 116.788 115.199 1.589 19162 1596 1 6 . 1 1 32 32 VAL C C 32 177.401 177.401 177.140 0.261 19162 1597 1 6 . 1 1 32 32 VAL CA C 32 64.853 64.853 64.423 0.430 19162 1598 1 6 . 1 1 32 32 VAL CB C 32 30.877 30.877 30.678 0.199 19162 1599 1 6 . 1 1 32 32 VAL H H 32 8.429 8.429 7.638 0.791 19162 1600 1 6 . 1 1 33 33 LYS N N 33 120.548 120.548 120.938 -0.390 19162 1601 1 6 . 1 1 33 33 LYS C C 33 177.636 177.636 178.950 -1.314 19162 1602 1 6 . 1 1 33 33 LYS CA C 33 58.851 58.851 59.762 -0.911 19162 1603 1 6 . 1 1 33 33 LYS CB C 33 31.134 31.134 31.497 -0.363 19162 1604 1 6 . 1 1 33 33 LYS H H 33 8.047 8.047 7.746 0.301 19162 1605 1 6 . 1 1 34 34 GLY N N 34 106.701 106.701 105.324 1.377 19162 1606 1 6 . 1 1 34 34 GLY C C 34 174.814 174.814 176.418 -1.604 19162 1607 1 6 . 1 1 34 34 GLY CA C 34 46.019 46.019 46.643 -0.624 19162 1608 1 6 . 1 1 34 34 GLY H H 34 7.938 7.938 8.118 -0.180 19162 1609 1 6 . 1 1 35 35 ARG N N 35 118.164 118.164 121.439 -3.275 19162 1610 1 6 . 1 1 35 35 ARG C C 35 176.460 176.460 178.414 -1.954 19162 1611 1 6 . 1 1 35 35 ARG CA C 35 55.954 55.954 57.647 -1.693 19162 1612 1 6 . 1 1 35 35 ARG CB C 35 29.799 29.799 29.303 0.496 19162 1613 1 6 . 1 1 35 35 ARG H H 35 7.624 7.624 7.550 0.074 19162 1614 1 6 . 1 1 36 36 LEU N N 36 118.897 118.897 119.510 -0.613 19162 1615 1 6 . 1 1 36 36 LEU C C 36 176.539 176.539 178.385 -1.846 19162 1616 1 6 . 1 1 36 36 LEU CA C 36 55.540 55.540 57.996 -2.456 19162 1617 1 6 . 1 1 36 36 LEU CB C 36 42.303 42.303 41.890 0.413 19162 1618 1 6 . 1 1 36 36 LEU H H 36 7.720 7.720 8.341 -0.621 19162 1619 1 6 . 1 1 37 37 VAL N N 37 118.530 118.530 117.902 0.628 19162 1620 1 6 . 1 1 37 37 VAL C C 37 173.804 173.804 175.426 -1.622 19162 1621 1 6 . 1 1 37 37 VAL CA C 37 59.472 59.472 68.049 -8.577 19162 1622 1 6 . 1 1 37 37 VAL CB C 37 31.722 31.722 28.860 2.862 19162 1623 1 6 . 1 1 37 37 VAL H H 37 7.911 7.911 7.542 0.369 19162 1624 1 6 . 1 1 38 38 PRO C C 38 177.636 177.636 179.196 -1.560 19162 1625 1 6 . 1 1 38 38 PRO CA C 38 63.611 63.611 65.332 -1.721 19162 1626 1 6 . 1 1 38 38 PRO CB C 38 31.093 31.093 31.296 -0.203 19162 1627 1 6 . 1 1 39 39 GLY N N 39 109.268 109.268 107.431 1.837 19162 1628 1 6 . 1 1 39 39 GLY C C 39 174.422 174.422 174.897 -0.475 19162 1629 1 6 . 1 1 39 39 GLY CA C 39 45.192 45.192 46.513 -1.321 19162 1630 1 6 . 1 1 39 39 GLY H H 39 8.525 8.525 7.676 0.849 19162 1631 1 6 . 1 1 40 40 ALA N N 40 123.391 123.391 122.713 0.678 19162 1632 1 6 . 1 1 40 40 ALA C C 40 178.028 178.028 177.661 0.367 19162 1633 1 6 . 1 1 40 40 ALA CA C 40 52.642 52.642 53.912 -1.270 19162 1634 1 6 . 1 1 40 40 ALA CB C 40 18.804 18.804 19.080 -0.276 19162 1635 1 6 . 1 1 40 40 ALA H H 40 7.965 7.965 7.464 0.501 19162 1636 1 6 . 1 1 41 41 THR N N 41 113.028 113.028 112.416 0.612 19162 1637 1 6 . 1 1 41 41 THR C C 41 175.363 175.363 173.703 1.660 19162 1638 1 6 . 1 1 41 41 THR CA C 41 62.162 62.162 62.042 0.120 19162 1639 1 6 . 1 1 41 41 THR CB C 41 69.467 69.467 68.714 0.753 19162 1640 1 6 . 1 1 41 41 THR H H 41 8.115 8.115 7.583 0.532 19162 1641 1 6 . 1 1 42 42 TYR N N 42 121.373 121.373 125.339 -3.966 19162 1642 1 6 . 1 1 42 42 TYR C C 42 176.303 176.303 173.712 2.591 19162 1643 1 6 . 1 1 42 42 TYR CA C 42 59.473 59.473 57.057 2.416 19162 1644 1 6 . 1 1 42 42 TYR CB C 42 37.992 37.992 38.263 -0.271 19162 1645 1 6 . 1 1 42 42 TYR H H 42 8.429 8.429 7.725 0.704 19162 1646 1 6 . 1 1 43 43 LEU N N 43 119.906 119.906 119.433 0.473 19162 1647 1 6 . 1 1 43 43 LEU C C 43 177.405 177.405 176.560 0.845 19162 1648 1 6 . 1 1 43 43 LEU CA C 43 55.540 55.540 53.367 2.173 19162 1649 1 6 . 1 1 43 43 LEU CB C 43 41.455 41.455 44.141 -2.686 19162 1650 1 6 . 1 1 43 43 LEU H H 43 7.899 7.899 8.199 -0.300 19162 1651 1 6 . 1 1 44 44 SER N N 44 115.779 115.779 116.273 -0.494 19162 1652 1 6 . 1 1 44 44 SER C C 44 175.049 175.049 174.633 0.416 19162 1653 1 6 . 1 1 44 44 SER CA C 44 59.058 59.058 57.501 1.557 19162 1654 1 6 . 1 1 44 44 SER CB C 44 63.649 63.649 61.780 1.869 19162 1655 1 6 . 1 1 44 44 SER H H 44 7.979 7.979 8.314 -0.335 19162 1656 1 6 . 1 1 45 45 LEU N N 45 122.199 122.199 125.819 -3.620 19162 1657 1 6 . 1 1 45 45 LEU C C 45 177.322 177.322 178.195 -0.873 19162 1658 1 6 . 1 1 45 45 LEU CA C 45 55.747 55.747 55.903 -0.156 19162 1659 1 6 . 1 1 45 45 LEU CB C 45 41.441 41.441 42.318 -0.877 19162 1660 1 6 . 1 1 45 45 LEU H H 45 8.211 8.211 8.549 -0.338 19162 1661 1 6 . 1 1 46 46 GLY N N 46 105.325 105.325 106.180 -0.855 19162 1662 1 6 . 1 1 46 46 GLY C C 46 174.422 174.422 174.890 -0.468 19162 1663 1 6 . 1 1 46 46 GLY CA C 46 45.812 45.812 45.385 0.427 19162 1664 1 6 . 1 1 46 46 GLY H H 46 8.129 8.129 8.396 -0.267 19162 1665 1 6 . 1 1 47 47 VAL N N 47 117.063 117.063 114.738 2.325 19162 1666 1 6 . 1 1 47 47 VAL C C 47 177.087 177.087 176.327 0.760 19162 1667 1 6 . 1 1 47 47 VAL CA C 47 62.783 62.783 61.918 0.865 19162 1668 1 6 . 1 1 47 47 VAL CB C 47 31.524 31.524 32.876 -1.352 19162 1669 1 6 . 1 1 47 47 VAL H H 47 7.897 7.897 7.710 0.187 19162 1670 1 6 . 1 1 48 48 TRP N N 48 121.465 121.465 125.022 -3.557 19162 1671 1 6 . 1 1 48 48 TRP C C 48 175.284 175.284 175.220 0.064 19162 1672 1 6 . 1 1 48 48 TRP CA C 48 60.921 60.921 61.270 -0.349 19162 1673 1 6 . 1 1 48 48 TRP CB C 48 27.644 27.644 27.787 -0.143 19162 1674 1 6 . 1 1 48 48 TRP H H 48 7.938 7.938 8.637 -0.699 19162 1675 1 6 . 1 1 49 49 PRO C C 49 177.610 177.610 178.223 -0.613 19162 1676 1 6 . 1 1 49 49 PRO CA C 49 65.888 65.888 64.628 1.260 19162 1677 1 6 . 1 1 49 49 PRO CB C 49 30.599 30.599 31.181 -0.582 19162 1678 1 6 . 1 1 50 50 LEU N N 50 115.596 115.596 119.019 -3.423 19162 1679 1 6 . 1 1 50 50 LEU C C 50 179.125 179.125 179.147 -0.022 19162 1680 1 6 . 1 1 50 50 LEU CA C 50 57.195 57.195 57.611 -0.416 19162 1681 1 6 . 1 1 50 50 LEU CB C 50 40.579 40.579 41.675 -1.096 19162 1682 1 6 . 1 1 50 50 LEU H H 50 7.215 7.215 7.817 -0.602 19162 1683 1 6 . 1 1 51 51 LEU N N 51 119.906 119.906 118.443 1.463 19162 1684 1 6 . 1 1 51 51 LEU C C 51 178.812 178.812 179.093 -0.281 19162 1685 1 6 . 1 1 51 51 LEU CA C 51 57.402 57.402 57.706 -0.304 19162 1686 1 6 . 1 1 51 51 LEU CB C 51 41.027 41.027 41.340 -0.313 19162 1687 1 6 . 1 1 51 51 LEU H H 51 7.856 7.856 7.524 0.332 19162 1688 1 6 . 1 1 52 52 LEU N N 52 117.980 117.980 118.747 -0.767 19162 1689 1 6 . 1 1 52 52 LEU C C 52 178.655 178.655 178.996 -0.341 19162 1690 1 6 . 1 1 52 52 LEU CA C 52 57.753 57.753 57.644 0.109 19162 1691 1 6 . 1 1 52 52 LEU CB C 52 40.974 40.974 41.238 -0.264 19162 1692 1 6 . 1 1 52 52 LEU H H 52 7.965 7.965 7.256 0.709 19162 1693 1 6 . 1 1 53 53 VAL N N 53 117.063 117.063 118.842 -1.779 19162 1694 1 6 . 1 1 53 53 VAL C C 53 177.636 177.636 177.753 -0.117 19162 1695 1 6 . 1 1 53 53 VAL CA C 53 66.302 66.302 66.176 0.126 19162 1696 1 6 . 1 1 53 53 VAL CB C 53 30.877 30.877 31.328 -0.451 19162 1697 1 6 . 1 1 53 53 VAL H H 53 7.774 7.774 7.478 0.296 19162 1698 1 6 . 1 1 54 54 ARG N N 54 118.439 118.439 119.819 -1.380 19162 1699 1 6 . 1 1 54 54 ARG C C 54 178.263 178.263 177.836 0.427 19162 1700 1 6 . 1 1 54 54 ARG CA C 54 58.230 58.230 59.101 -0.871 19162 1701 1 6 . 1 1 54 54 ARG CB C 54 29.368 29.368 29.718 -0.350 19162 1702 1 6 . 1 1 54 54 ARG H H 54 7.665 7.665 7.716 -0.051 19162 1703 1 6 . 1 1 55 55 LEU N N 55 117.888 117.888 117.636 0.252 19162 1704 1 6 . 1 1 55 55 LEU C C 55 177.649 177.649 179.017 -1.368 19162 1705 1 6 . 1 1 55 55 LEU CA C 55 56.521 56.521 57.127 -0.606 19162 1706 1 6 . 1 1 55 55 LEU CB C 55 42.097 42.097 41.706 0.391 19162 1707 1 6 . 1 1 55 55 LEU H H 55 7.789 7.789 7.625 0.164 19162 1708 1 6 . 1 1 56 56 LEU N N 56 116.146 116.146 119.478 -3.332 19162 1709 1 6 . 1 1 56 56 LEU C C 56 176.930 176.930 178.601 -1.671 19162 1710 1 6 . 1 1 56 56 LEU CA C 56 55.333 55.333 57.098 -1.765 19162 1711 1 6 . 1 1 56 56 LEU CB C 56 41.990 41.990 42.042 -0.052 19162 1712 1 6 . 1 1 56 56 LEU H H 56 7.693 7.693 7.330 0.363 19162 1713 1 6 . 1 1 57 57 ARG N N 57 118.897 118.897 119.423 -0.526 19162 1714 1 6 . 1 1 57 57 ARG C C 57 173.795 173.795 176.191 -2.396 19162 1715 1 6 . 1 1 57 57 ARG CA C 57 54.919 54.919 60.531 -5.612 19162 1716 1 6 . 1 1 57 57 ARG CB C 57 29.153 29.153 28.589 0.564 19162 1717 1 6 . 1 1 57 57 ARG H H 57 7.856 7.856 8.412 -0.556 19162 1718 1 6 . 1 1 58 58 PRO C C 58 177.009 177.009 177.590 -0.581 19162 1719 1 6 . 1 1 58 58 PRO CA C 58 63.611 63.611 64.392 -0.782 19162 1720 1 6 . 1 1 58 58 PRO CB C 58 31.027 31.027 31.613 -0.586 19162 1721 1 6 . 1 1 59 59 HIS N N 59 119.264 119.264 115.660 3.604 19162 1722 1 6 . 1 1 59 59 HIS C C 59 175.520 175.520 175.035 0.485 19162 1723 1 6 . 1 1 59 59 HIS CA C 59 56.574 56.574 57.732 -1.158 19162 1724 1 6 . 1 1 59 59 HIS CB C 59 30.446 30.446 29.007 1.439 19162 1725 1 6 . 1 1 59 59 HIS H H 59 8.375 8.375 7.944 0.431 19162 1726 1 6 . 1 1 60 60 ARG N N 60 122.382 122.382 120.418 1.964 19162 1727 1 6 . 1 1 60 60 ARG C C 60 175.598 175.598 174.231 1.367 19162 1728 1 6 . 1 1 60 60 ARG CA C 60 55.751 55.751 56.853 -1.102 19162 1729 1 6 . 1 1 60 60 ARG CB C 60 30.064 30.064 30.627 -0.563 19162 1730 1 6 . 1 1 60 60 ARG H H 60 7.980 7.980 8.330 -0.350 19162 1731 1 6 . 1 1 61 61 ALA N N 61 125.041 125.041 127.567 -2.526 19162 1732 1 6 . 1 1 61 61 ALA C C 61 177.401 177.401 175.872 1.529 19162 1733 1 6 . 1 1 61 61 ALA CA C 61 52.228 52.228 51.958 0.270 19162 1734 1 6 . 1 1 61 61 ALA CB C 61 18.804 18.804 18.372 0.432 19162 1735 1 6 . 1 1 61 61 ALA H H 61 8.320 8.320 8.712 -0.392 19162 1736 1 6 . 1 1 62 62 LEU N N 62 121.281 121.281 121.828 -0.547 19162 1737 1 6 . 1 1 62 62 LEU C C 62 175.911 175.911 176.078 -0.167 19162 1738 1 6 . 1 1 62 62 LEU CA C 62 54.919 54.919 55.892 -0.973 19162 1739 1 6 . 1 1 62 62 LEU CB C 62 41.657 41.657 42.660 -1.003 19162 1740 1 6 . 1 1 62 62 LEU H H 62 8.115 8.115 8.188 -0.073 19162 1741 1 7 . 1 1 2 2 ALA C C 2 178.255 178.255 177.053 1.202 19162 1742 1 7 . 1 1 2 2 ALA CA C 2 53.263 53.263 53.073 0.190 19162 1743 1 7 . 1 1 2 2 ALA CB C 2 18.411 18.411 19.677 -1.266 19162 1744 1 7 . 1 1 3 3 LYS N N 3 119.081 119.081 119.588 -0.507 19162 1745 1 7 . 1 1 3 3 LYS C C 3 176.752 176.752 174.651 2.101 19162 1746 1 7 . 1 1 3 3 LYS CA C 3 57.816 57.816 56.456 1.360 19162 1747 1 7 . 1 1 3 3 LYS CB C 3 31.751 31.751 32.949 -1.198 19162 1748 1 7 . 1 1 3 3 LYS H H 3 8.607 8.607 8.163 0.444 19162 1749 1 7 . 1 1 4 4 ASN N N 4 118.255 118.255 117.595 0.660 19162 1750 1 7 . 1 1 4 4 ASN C C 4 176.029 176.029 175.927 0.102 19162 1751 1 7 . 1 1 4 4 ASN CA C 4 54.712 54.712 53.507 1.205 19162 1752 1 7 . 1 1 4 4 ASN CB C 4 38.244 38.244 39.918 -1.674 19162 1753 1 7 . 1 1 4 4 ASN H H 4 8.185 8.185 8.266 -0.081 19162 1754 1 7 . 1 1 5 5 VAL N N 5 119.998 119.998 122.407 -2.409 19162 1755 1 7 . 1 1 5 5 VAL C C 5 177.259 177.259 177.693 -0.434 19162 1756 1 7 . 1 1 5 5 VAL CA C 5 64.232 64.232 65.368 -1.136 19162 1757 1 7 . 1 1 5 5 VAL CB C 5 31.524 31.524 31.347 0.177 19162 1758 1 7 . 1 1 5 5 VAL H H 5 7.857 7.857 7.898 -0.041 19162 1759 1 7 . 1 1 6 6 ILE N N 6 122.474 122.474 118.528 3.946 19162 1760 1 7 . 1 1 6 6 ILE C C 6 177.009 177.009 177.852 -0.843 19162 1761 1 7 . 1 1 6 6 ILE CA C 6 63.400 63.400 64.627 -1.227 19162 1762 1 7 . 1 1 6 6 ILE CB C 6 37.177 37.177 36.873 0.303 19162 1763 1 7 . 1 1 6 6 ILE H H 6 8.062 8.062 7.865 0.197 19162 1764 1 7 . 1 1 7 7 VAL N N 7 120.915 120.915 119.017 1.898 19162 1765 1 7 . 1 1 7 7 VAL C C 7 177.009 177.009 178.216 -1.207 19162 1766 1 7 . 1 1 7 7 VAL CA C 7 65.017 65.017 65.905 -0.888 19162 1767 1 7 . 1 1 7 7 VAL CB C 7 31.309 31.309 30.621 0.688 19162 1768 1 7 . 1 1 7 7 VAL H H 7 7.993 7.993 8.103 -0.110 19162 1769 1 7 . 1 1 8 8 LEU N N 8 121.098 121.098 119.710 1.388 19162 1770 1 7 . 1 1 8 8 LEU C C 8 178.655 178.655 178.849 -0.194 19162 1771 1 7 . 1 1 8 8 LEU CA C 8 56.781 56.781 58.074 -1.293 19162 1772 1 7 . 1 1 8 8 LEU CB C 8 41.010 41.010 41.430 -0.420 19162 1773 1 7 . 1 1 8 8 LEU H H 8 8.061 8.061 7.476 0.585 19162 1774 1 7 . 1 1 9 9 ASN N N 9 118.347 118.347 117.353 0.994 19162 1775 1 7 . 1 1 9 9 ASN C C 9 176.695 176.695 177.080 -0.385 19162 1776 1 7 . 1 1 9 9 ASN CA C 9 54.919 54.919 56.049 -1.130 19162 1777 1 7 . 1 1 9 9 ASN CB C 9 38.674 38.674 38.079 0.595 19162 1778 1 7 . 1 1 9 9 ASN H H 9 8.102 8.102 7.546 0.556 19162 1779 1 7 . 1 1 10 10 ALA N N 10 124.124 124.124 122.002 2.122 19162 1780 1 7 . 1 1 10 10 ALA C C 10 178.263 178.263 179.443 -1.180 19162 1781 1 7 . 1 1 10 10 ALA CA C 10 54.505 54.505 54.963 -0.458 19162 1782 1 7 . 1 1 10 10 ALA CB C 10 17.942 17.942 18.139 -0.197 19162 1783 1 7 . 1 1 10 10 ALA H H 10 8.388 8.388 7.650 0.738 19162 1784 1 7 . 1 1 11 11 ALA N N 11 119.814 119.814 119.819 -0.005 19162 1785 1 7 . 1 1 11 11 ALA C C 11 179.204 179.204 179.533 -0.329 19162 1786 1 7 . 1 1 11 11 ALA CA C 11 54.298 54.298 55.121 -0.823 19162 1787 1 7 . 1 1 11 11 ALA CB C 11 17.942 17.942 17.868 0.074 19162 1788 1 7 . 1 1 11 11 ALA H H 11 8.279 8.279 7.873 0.406 19162 1789 1 7 . 1 1 12 12 SER N N 12 113.303 113.303 114.433 -1.130 19162 1790 1 7 . 1 1 12 12 SER C C 12 175.873 175.873 176.523 -0.650 19162 1791 1 7 . 1 1 12 12 SER CA C 12 60.140 60.140 60.867 -0.727 19162 1792 1 7 . 1 1 12 12 SER CB C 12 63.221 63.221 62.752 0.469 19162 1793 1 7 . 1 1 12 12 SER H H 12 7.952 7.952 7.487 0.465 19162 1794 1 7 . 1 1 13 13 ALA N N 13 124.308 124.308 123.338 0.970 19162 1795 1 7 . 1 1 13 13 ALA C C 13 178.420 178.420 179.152 -0.732 19162 1796 1 7 . 1 1 13 13 ALA CA C 13 53.470 53.470 54.842 -1.372 19162 1797 1 7 . 1 1 13 13 ALA CB C 13 18.373 18.373 18.139 0.234 19162 1798 1 7 . 1 1 13 13 ALA H H 13 7.924 7.924 7.605 0.319 19162 1799 1 7 . 1 1 14 14 ALA N N 14 119.998 119.998 121.537 -1.539 19162 1800 1 7 . 1 1 14 14 ALA C C 14 178.420 178.420 179.998 -1.578 19162 1801 1 7 . 1 1 14 14 ALA CA C 14 53.263 53.263 54.539 -1.276 19162 1802 1 7 . 1 1 14 14 ALA CB C 14 18.373 18.373 18.677 -0.304 19162 1803 1 7 . 1 1 14 14 ALA H H 14 7.965 7.965 7.732 0.233 19162 1804 1 7 . 1 1 15 15 GLY N N 15 105.417 105.417 107.202 -1.785 19162 1805 1 7 . 1 1 15 15 GLY C C 15 174.422 174.422 175.806 -1.384 19162 1806 1 7 . 1 1 15 15 GLY CA C 15 45.605 45.605 46.176 -0.571 19162 1807 1 7 . 1 1 15 15 GLY H H 15 8.020 8.020 7.712 0.308 19162 1808 1 7 . 1 1 16 16 ASN N N 16 118.989 118.989 119.490 -0.501 19162 1809 1 7 . 1 1 16 16 ASN C C 16 175.598 175.598 176.103 -0.505 19162 1810 1 7 . 1 1 16 16 ASN CA C 16 53.677 53.677 54.390 -0.713 19162 1811 1 7 . 1 1 16 16 ASN CB C 16 38.621 38.621 38.964 -0.343 19162 1812 1 7 . 1 1 16 16 ASN H H 16 8.156 8.156 7.479 0.677 19162 1813 1 7 . 1 1 17 17 HIS N N 17 119.081 119.081 120.178 -1.097 19162 1814 1 7 . 1 1 17 17 HIS C C 17 176.068 176.068 174.415 1.653 19162 1815 1 7 . 1 1 17 17 HIS CA C 17 56.781 56.781 57.656 -0.875 19162 1816 1 7 . 1 1 17 17 HIS CB C 17 29.942 29.942 28.820 1.122 19162 1817 1 7 . 1 1 17 17 HIS H H 17 8.322 8.322 7.622 0.700 19162 1818 1 7 . 1 1 18 18 GLY N N 18 109.543 109.543 111.623 -2.080 19162 1819 1 7 . 1 1 18 18 GLY C C 18 175.206 175.206 173.611 1.595 19162 1820 1 7 . 1 1 18 18 GLY CA C 18 47.054 47.054 44.501 2.553 19162 1821 1 7 . 1 1 18 18 GLY H H 18 8.607 8.607 7.744 0.863 19162 1822 1 7 . 1 1 19 19 PHE N N 19 120.640 120.640 124.140 -3.500 19162 1823 1 7 . 1 1 19 19 PHE C C 19 176.695 176.695 175.722 0.973 19162 1824 1 7 . 1 1 19 19 PHE CA C 19 60.507 60.507 59.252 1.255 19162 1825 1 7 . 1 1 19 19 PHE CB C 19 38.638 38.638 38.039 0.599 19162 1826 1 7 . 1 1 19 19 PHE H H 19 8.716 8.716 8.751 -0.035 19162 1827 1 7 . 1 1 20 20 PHE N N 20 118.989 118.989 115.862 3.127 19162 1828 1 7 . 1 1 20 20 PHE C C 20 176.617 176.617 176.985 -0.368 19162 1829 1 7 . 1 1 20 20 PHE CA C 20 61.334 61.334 59.150 2.184 19162 1830 1 7 . 1 1 20 20 PHE CB C 20 38.460 38.460 36.922 1.538 19162 1831 1 7 . 1 1 20 20 PHE H H 20 8.143 8.143 6.676 1.467 19162 1832 1 7 . 1 1 21 21 TRP N N 21 118.897 118.897 122.279 -3.382 19162 1833 1 7 . 1 1 21 21 TRP C C 21 178.577 178.577 178.372 0.205 19162 1834 1 7 . 1 1 21 21 TRP CA C 21 59.691 59.691 59.323 0.368 19162 1835 1 7 . 1 1 21 21 TRP CB C 21 29.636 29.636 29.960 -0.324 19162 1836 1 7 . 1 1 21 21 TRP H H 21 7.911 7.911 7.006 0.905 19162 1837 1 7 . 1 1 22 22 GLY N N 22 105.692 105.692 106.859 -1.167 19162 1838 1 7 . 1 1 22 22 GLY C C 22 174.657 174.657 175.743 -1.086 19162 1839 1 7 . 1 1 22 22 GLY CA C 22 47.261 47.261 46.923 0.338 19162 1840 1 7 . 1 1 22 22 GLY H H 22 8.306 8.306 7.642 0.664 19162 1841 1 7 . 1 1 23 23 LEU N N 23 121.557 121.557 121.722 -0.165 19162 1842 1 7 . 1 1 23 23 LEU C C 23 179.752 179.752 178.763 0.989 19162 1843 1 7 . 1 1 23 23 LEU CA C 23 57.402 57.402 57.252 0.150 19162 1844 1 7 . 1 1 23 23 LEU CB C 23 40.579 40.579 41.836 -1.257 19162 1845 1 7 . 1 1 23 23 LEU H H 23 7.993 7.993 7.573 0.420 19162 1846 1 7 . 1 1 24 24 LEU N N 24 122.382 122.382 119.530 2.852 19162 1847 1 7 . 1 1 24 24 LEU C C 24 178.185 178.185 178.208 -0.023 19162 1848 1 7 . 1 1 24 24 LEU CA C 24 58.437 58.437 58.134 0.303 19162 1849 1 7 . 1 1 24 24 LEU CB C 24 40.439 40.439 41.407 -0.968 19162 1850 1 7 . 1 1 24 24 LEU H H 24 8.047 8.047 7.230 0.817 19162 1851 1 7 . 1 1 25 25 VAL N N 25 118.255 118.255 117.473 0.782 19162 1852 1 7 . 1 1 25 25 VAL C C 25 177.636 177.636 178.428 -0.792 19162 1853 1 7 . 1 1 25 25 VAL CA C 25 67.129 67.129 66.044 1.085 19162 1854 1 7 . 1 1 25 25 VAL CB C 25 30.813 30.813 30.891 -0.078 19162 1855 1 7 . 1 1 25 25 VAL H H 25 8.102 8.102 7.162 0.940 19162 1856 1 7 . 1 1 26 26 VAL N N 26 118.072 118.072 119.691 -1.619 19162 1857 1 7 . 1 1 26 26 VAL C C 26 177.322 177.322 178.144 -0.822 19162 1858 1 7 . 1 1 26 26 VAL CA C 26 66.686 66.686 66.860 -0.174 19162 1859 1 7 . 1 1 26 26 VAL CB C 26 30.653 30.653 31.614 -0.962 19162 1860 1 7 . 1 1 26 26 VAL H H 26 8.088 8.088 7.386 0.702 19162 1861 1 7 . 1 1 27 27 THR N N 27 116.788 116.788 117.017 -0.229 19162 1862 1 7 . 1 1 27 27 THR C C 27 177.322 177.322 176.578 0.744 19162 1863 1 7 . 1 1 27 27 THR CA C 27 67.750 67.750 66.990 0.760 19162 1864 1 7 . 1 1 27 27 THR H H 27 8.047 8.047 7.926 0.121 19162 1865 1 7 . 1 1 28 28 LEU N N 28 122.932 122.932 122.422 0.510 19162 1866 1 7 . 1 1 28 28 LEU C C 28 178.499 178.499 177.602 0.897 19162 1867 1 7 . 1 1 28 28 LEU CA C 28 58.230 58.230 57.970 0.260 19162 1868 1 7 . 1 1 28 28 LEU CB C 28 40.794 40.794 41.439 -0.645 19162 1869 1 7 . 1 1 28 28 LEU H H 28 8.429 8.429 8.237 0.192 19162 1870 1 7 . 1 1 29 29 ALA N N 29 121.190 121.190 121.831 -0.641 19162 1871 1 7 . 1 1 29 29 ALA C C 29 178.890 178.890 179.478 -0.588 19162 1872 1 7 . 1 1 29 29 ALA CA C 29 55.333 55.333 54.925 0.408 19162 1873 1 7 . 1 1 29 29 ALA CB C 29 17.727 17.727 18.164 -0.437 19162 1874 1 7 . 1 1 29 29 ALA H H 29 8.607 8.607 7.632 0.975 19162 1875 1 7 . 1 1 30 30 TRP N N 30 118.622 118.622 119.302 -0.680 19162 1876 1 7 . 1 1 30 30 TRP C C 30 178.420 178.420 178.918 -0.498 19162 1877 1 7 . 1 1 30 30 TRP CA C 30 60.300 60.300 60.748 -0.448 19162 1878 1 7 . 1 1 30 30 TRP CB C 30 28.937 28.937 29.428 -0.491 19162 1879 1 7 . 1 1 30 30 TRP H H 30 8.538 8.538 7.646 0.892 19162 1880 1 7 . 1 1 31 31 HIS N N 31 117.888 117.888 120.046 -2.158 19162 1881 1 7 . 1 1 31 31 HIS C C 31 177.949 177.949 177.502 0.447 19162 1882 1 7 . 1 1 31 31 HIS CA C 31 59.886 59.886 60.329 -0.443 19162 1883 1 7 . 1 1 31 31 HIS CB C 31 30.015 30.015 30.514 -0.499 19162 1884 1 7 . 1 1 31 31 HIS H H 31 8.238 8.238 8.089 0.149 19162 1885 1 7 . 1 1 32 32 VAL N N 32 116.788 116.788 115.869 0.919 19162 1886 1 7 . 1 1 32 32 VAL C C 32 177.401 177.401 177.024 0.377 19162 1887 1 7 . 1 1 32 32 VAL CA C 32 64.853 64.853 64.478 0.375 19162 1888 1 7 . 1 1 32 32 VAL CB C 32 30.877 30.877 30.775 0.102 19162 1889 1 7 . 1 1 32 32 VAL H H 32 8.429 8.429 7.812 0.617 19162 1890 1 7 . 1 1 33 33 LYS N N 33 120.548 120.548 121.159 -0.611 19162 1891 1 7 . 1 1 33 33 LYS C C 33 177.636 177.636 178.680 -1.044 19162 1892 1 7 . 1 1 33 33 LYS CA C 33 58.851 58.851 60.184 -1.333 19162 1893 1 7 . 1 1 33 33 LYS CB C 33 31.134 31.134 31.768 -0.634 19162 1894 1 7 . 1 1 33 33 LYS H H 33 8.047 8.047 7.475 0.572 19162 1895 1 7 . 1 1 34 34 GLY N N 34 106.701 106.701 104.699 2.002 19162 1896 1 7 . 1 1 34 34 GLY C C 34 174.814 174.814 176.653 -1.839 19162 1897 1 7 . 1 1 34 34 GLY CA C 34 46.019 46.019 46.632 -0.613 19162 1898 1 7 . 1 1 34 34 GLY H H 34 7.938 7.938 7.812 0.126 19162 1899 1 7 . 1 1 35 35 ARG N N 35 118.164 118.164 121.819 -3.655 19162 1900 1 7 . 1 1 35 35 ARG C C 35 176.460 176.460 178.346 -1.886 19162 1901 1 7 . 1 1 35 35 ARG CA C 35 55.954 55.954 58.588 -2.634 19162 1902 1 7 . 1 1 35 35 ARG CB C 35 29.799 29.799 29.921 -0.122 19162 1903 1 7 . 1 1 35 35 ARG H H 35 7.624 7.624 7.516 0.108 19162 1904 1 7 . 1 1 36 36 LEU N N 36 118.897 118.897 119.925 -1.028 19162 1905 1 7 . 1 1 36 36 LEU C C 36 176.539 176.539 178.190 -1.651 19162 1906 1 7 . 1 1 36 36 LEU CA C 36 55.540 55.540 58.066 -2.526 19162 1907 1 7 . 1 1 36 36 LEU CB C 36 42.303 42.303 42.022 0.281 19162 1908 1 7 . 1 1 36 36 LEU H H 36 7.720 7.720 8.123 -0.403 19162 1909 1 7 . 1 1 37 37 VAL N N 37 118.530 118.530 118.040 0.490 19162 1910 1 7 . 1 1 37 37 VAL C C 37 173.804 173.804 175.201 -1.397 19162 1911 1 7 . 1 1 37 37 VAL CA C 37 59.472 59.472 67.845 -8.373 19162 1912 1 7 . 1 1 37 37 VAL CB C 37 31.722 31.722 29.076 2.646 19162 1913 1 7 . 1 1 37 37 VAL H H 37 7.911 7.911 7.394 0.517 19162 1914 1 7 . 1 1 38 38 PRO C C 38 177.636 177.636 178.416 -0.780 19162 1915 1 7 . 1 1 38 38 PRO CA C 38 63.611 63.611 64.974 -1.363 19162 1916 1 7 . 1 1 38 38 PRO CB C 38 31.093 31.093 31.291 -0.198 19162 1917 1 7 . 1 1 39 39 GLY N N 39 109.268 109.268 106.713 2.555 19162 1918 1 7 . 1 1 39 39 GLY C C 39 174.422 174.422 175.010 -0.588 19162 1919 1 7 . 1 1 39 39 GLY CA C 39 45.192 45.192 46.127 -0.934 19162 1920 1 7 . 1 1 39 39 GLY H H 39 8.525 8.525 7.659 0.866 19162 1921 1 7 . 1 1 40 40 ALA N N 40 123.391 123.391 122.721 0.670 19162 1922 1 7 . 1 1 40 40 ALA C C 40 178.028 178.028 177.593 0.435 19162 1923 1 7 . 1 1 40 40 ALA CA C 40 52.642 52.642 53.952 -1.310 19162 1924 1 7 . 1 1 40 40 ALA CB C 40 18.804 18.804 19.166 -0.361 19162 1925 1 7 . 1 1 40 40 ALA H H 40 7.965 7.965 7.514 0.451 19162 1926 1 7 . 1 1 41 41 THR N N 41 113.028 113.028 111.709 1.319 19162 1927 1 7 . 1 1 41 41 THR C C 41 175.363 175.363 173.758 1.605 19162 1928 1 7 . 1 1 41 41 THR CA C 41 62.162 62.162 61.922 0.240 19162 1929 1 7 . 1 1 41 41 THR CB C 41 69.467 69.467 68.726 0.741 19162 1930 1 7 . 1 1 41 41 THR H H 41 8.115 8.115 7.537 0.578 19162 1931 1 7 . 1 1 42 42 TYR N N 42 121.373 121.373 125.766 -4.393 19162 1932 1 7 . 1 1 42 42 TYR C C 42 176.303 176.303 173.800 2.503 19162 1933 1 7 . 1 1 42 42 TYR CA C 42 59.473 59.473 56.992 2.481 19162 1934 1 7 . 1 1 42 42 TYR CB C 42 37.992 37.992 38.281 -0.289 19162 1935 1 7 . 1 1 42 42 TYR H H 42 8.429 8.429 7.557 0.872 19162 1936 1 7 . 1 1 43 43 LEU N N 43 119.906 119.906 119.893 0.013 19162 1937 1 7 . 1 1 43 43 LEU C C 43 177.405 177.405 176.106 1.299 19162 1938 1 7 . 1 1 43 43 LEU CA C 43 55.540 55.540 53.236 2.304 19162 1939 1 7 . 1 1 43 43 LEU CB C 43 41.455 41.455 44.584 -3.129 19162 1940 1 7 . 1 1 43 43 LEU H H 43 7.899 7.899 8.114 -0.215 19162 1941 1 7 . 1 1 44 44 SER N N 44 115.779 115.779 115.298 0.481 19162 1942 1 7 . 1 1 44 44 SER C C 44 175.049 175.049 174.360 0.689 19162 1943 1 7 . 1 1 44 44 SER CA C 44 59.058 59.058 57.532 1.526 19162 1944 1 7 . 1 1 44 44 SER CB C 44 63.649 63.649 63.283 0.366 19162 1945 1 7 . 1 1 44 44 SER H H 44 7.979 7.979 8.230 -0.251 19162 1946 1 7 . 1 1 45 45 LEU N N 45 122.199 122.199 126.090 -3.891 19162 1947 1 7 . 1 1 45 45 LEU C C 45 177.322 177.322 178.518 -1.196 19162 1948 1 7 . 1 1 45 45 LEU CA C 45 55.747 55.747 55.665 0.082 19162 1949 1 7 . 1 1 45 45 LEU CB C 45 41.441 41.441 42.050 -0.609 19162 1950 1 7 . 1 1 45 45 LEU H H 45 8.211 8.211 8.692 -0.481 19162 1951 1 7 . 1 1 46 46 GLY N N 46 105.325 105.325 106.716 -1.391 19162 1952 1 7 . 1 1 46 46 GLY C C 46 174.422 174.422 175.218 -0.796 19162 1953 1 7 . 1 1 46 46 GLY CA C 46 45.812 45.812 45.247 0.565 19162 1954 1 7 . 1 1 46 46 GLY H H 46 8.129 8.129 8.479 -0.350 19162 1955 1 7 . 1 1 47 47 VAL N N 47 117.063 117.063 119.183 -2.120 19162 1956 1 7 . 1 1 47 47 VAL C C 47 177.087 177.087 176.535 0.552 19162 1957 1 7 . 1 1 47 47 VAL CA C 47 62.783 62.783 61.926 0.857 19162 1958 1 7 . 1 1 47 47 VAL CB C 47 31.524 31.524 32.562 -1.038 19162 1959 1 7 . 1 1 47 47 VAL H H 47 7.897 7.897 7.783 0.114 19162 1960 1 7 . 1 1 48 48 TRP N N 48 121.465 121.465 123.243 -1.778 19162 1961 1 7 . 1 1 48 48 TRP C C 48 175.284 175.284 175.579 -0.295 19162 1962 1 7 . 1 1 48 48 TRP CA C 48 60.921 60.921 61.731 -0.810 19162 1963 1 7 . 1 1 48 48 TRP CB C 48 27.644 27.644 27.330 0.314 19162 1964 1 7 . 1 1 48 48 TRP H H 48 7.938 7.938 8.594 -0.656 19162 1965 1 7 . 1 1 49 49 PRO C C 49 177.610 177.610 178.609 -0.999 19162 1966 1 7 . 1 1 49 49 PRO CA C 49 65.888 65.888 65.238 0.650 19162 1967 1 7 . 1 1 49 49 PRO CB C 49 30.599 30.599 31.409 -0.810 19162 1968 1 7 . 1 1 50 50 LEU N N 50 115.596 115.596 119.248 -3.652 19162 1969 1 7 . 1 1 50 50 LEU C C 50 179.125 179.125 179.226 -0.101 19162 1970 1 7 . 1 1 50 50 LEU CA C 50 57.195 57.195 57.572 -0.376 19162 1971 1 7 . 1 1 50 50 LEU CB C 50 40.579 40.579 41.812 -1.232 19162 1972 1 7 . 1 1 50 50 LEU H H 50 7.215 7.215 7.818 -0.603 19162 1973 1 7 . 1 1 51 51 LEU N N 51 119.906 119.906 119.837 0.069 19162 1974 1 7 . 1 1 51 51 LEU C C 51 178.812 178.812 178.677 0.135 19162 1975 1 7 . 1 1 51 51 LEU CA C 51 57.402 57.402 58.374 -0.972 19162 1976 1 7 . 1 1 51 51 LEU CB C 51 41.027 41.027 41.745 -0.718 19162 1977 1 7 . 1 1 51 51 LEU H H 51 7.856 7.856 7.468 0.389 19162 1978 1 7 . 1 1 52 52 LEU N N 52 117.980 117.980 118.240 -0.260 19162 1979 1 7 . 1 1 52 52 LEU C C 52 178.655 178.655 179.450 -0.795 19162 1980 1 7 . 1 1 52 52 LEU CA C 52 57.753 57.753 57.733 0.020 19162 1981 1 7 . 1 1 52 52 LEU CB C 52 40.974 40.974 41.397 -0.423 19162 1982 1 7 . 1 1 52 52 LEU H H 52 7.965 7.965 7.375 0.590 19162 1983 1 7 . 1 1 53 53 VAL N N 53 117.063 117.063 119.217 -2.154 19162 1984 1 7 . 1 1 53 53 VAL C C 53 177.636 177.636 177.457 0.179 19162 1985 1 7 . 1 1 53 53 VAL CA C 53 66.302 66.302 66.362 -0.060 19162 1986 1 7 . 1 1 53 53 VAL CB C 53 30.877 30.877 31.259 -0.382 19162 1987 1 7 . 1 1 53 53 VAL H H 53 7.774 7.774 7.923 -0.149 19162 1988 1 7 . 1 1 54 54 ARG N N 54 118.439 118.439 119.954 -1.515 19162 1989 1 7 . 1 1 54 54 ARG C C 54 178.263 178.263 178.789 -0.526 19162 1990 1 7 . 1 1 54 54 ARG CA C 54 58.230 58.230 59.471 -1.241 19162 1991 1 7 . 1 1 54 54 ARG CB C 54 29.368 29.368 30.004 -0.636 19162 1992 1 7 . 1 1 54 54 ARG H H 54 7.665 7.665 7.609 0.056 19162 1993 1 7 . 1 1 55 55 LEU N N 55 117.888 117.888 119.438 -1.550 19162 1994 1 7 . 1 1 55 55 LEU C C 55 177.649 177.649 178.324 -0.675 19162 1995 1 7 . 1 1 55 55 LEU CA C 55 56.521 56.521 57.397 -0.876 19162 1996 1 7 . 1 1 55 55 LEU CB C 55 42.097 42.097 41.790 0.307 19162 1997 1 7 . 1 1 55 55 LEU H H 55 7.789 7.789 7.550 0.239 19162 1998 1 7 . 1 1 56 56 LEU N N 56 116.146 116.146 118.654 -2.508 19162 1999 1 7 . 1 1 56 56 LEU C C 56 176.930 176.930 178.597 -1.667 19162 2000 1 7 . 1 1 56 56 LEU CA C 56 55.333 55.333 57.269 -1.936 19162 2001 1 7 . 1 1 56 56 LEU CB C 56 41.990 41.990 41.929 0.061 19162 2002 1 7 . 1 1 56 56 LEU H H 56 7.693 7.693 7.322 0.371 19162 2003 1 7 . 1 1 57 57 ARG N N 57 118.897 118.897 120.099 -1.202 19162 2004 1 7 . 1 1 57 57 ARG C C 57 173.795 173.795 175.964 -2.169 19162 2005 1 7 . 1 1 57 57 ARG CA C 57 54.919 54.919 59.733 -4.814 19162 2006 1 7 . 1 1 57 57 ARG CB C 57 29.153 29.153 28.569 0.584 19162 2007 1 7 . 1 1 57 57 ARG H H 57 7.856 7.856 8.387 -0.531 19162 2008 1 7 . 1 1 58 58 PRO C C 58 177.009 177.009 176.544 0.465 19162 2009 1 7 . 1 1 58 58 PRO CA C 58 63.611 63.611 63.813 -0.202 19162 2010 1 7 . 1 1 58 58 PRO CB C 58 31.027 31.027 31.563 -0.536 19162 2011 1 7 . 1 1 59 59 HIS N N 59 119.264 119.264 118.320 0.944 19162 2012 1 7 . 1 1 59 59 HIS C C 59 175.520 175.520 174.684 0.836 19162 2013 1 7 . 1 1 59 59 HIS CA C 59 56.574 56.574 56.223 0.351 19162 2014 1 7 . 1 1 59 59 HIS CB C 59 30.446 30.446 28.815 1.631 19162 2015 1 7 . 1 1 59 59 HIS H H 59 8.375 8.375 8.104 0.271 19162 2016 1 7 . 1 1 60 60 ARG N N 60 122.382 122.382 119.472 2.910 19162 2017 1 7 . 1 1 60 60 ARG C C 60 175.598 175.598 175.181 0.417 19162 2018 1 7 . 1 1 60 60 ARG CA C 60 55.751 55.751 56.907 -1.157 19162 2019 1 7 . 1 1 60 60 ARG CB C 60 30.064 30.064 30.920 -0.856 19162 2020 1 7 . 1 1 60 60 ARG H H 60 7.980 7.980 8.131 -0.151 19162 2021 1 7 . 1 1 61 61 ALA N N 61 125.041 125.041 123.719 1.322 19162 2022 1 7 . 1 1 61 61 ALA C C 61 177.401 177.401 177.709 -0.308 19162 2023 1 7 . 1 1 61 61 ALA CA C 61 52.228 52.228 51.896 0.332 19162 2024 1 7 . 1 1 61 61 ALA CB C 61 18.804 18.804 19.310 -0.506 19162 2025 1 7 . 1 1 61 61 ALA H H 61 8.320 8.320 8.530 -0.210 19162 2026 1 7 . 1 1 62 62 LEU N N 62 121.281 121.281 120.080 1.201 19162 2027 1 7 . 1 1 62 62 LEU C C 62 175.911 175.911 177.915 -2.004 19162 2028 1 7 . 1 1 62 62 LEU CA C 62 54.919 54.919 54.932 -0.013 19162 2029 1 7 . 1 1 62 62 LEU CB C 62 41.657 41.657 41.131 0.526 19162 2030 1 7 . 1 1 62 62 LEU H H 62 8.115 8.115 8.168 -0.053 19162 2031 1 8 . 1 1 2 2 ALA C C 2 178.255 178.255 178.436 -0.181 19162 2032 1 8 . 1 1 2 2 ALA CA C 2 53.263 53.263 52.135 1.128 19162 2033 1 8 . 1 1 2 2 ALA CB C 2 18.411 18.411 18.867 -0.456 19162 2034 1 8 . 1 1 3 3 LYS N N 3 119.081 119.081 120.213 -1.132 19162 2035 1 8 . 1 1 3 3 LYS C C 3 176.752 176.752 177.886 -1.134 19162 2036 1 8 . 1 1 3 3 LYS CA C 3 57.816 57.816 58.436 -0.620 19162 2037 1 8 . 1 1 3 3 LYS CB C 3 31.751 31.751 32.016 -0.265 19162 2038 1 8 . 1 1 3 3 LYS H H 3 8.607 8.607 8.500 0.107 19162 2039 1 8 . 1 1 4 4 ASN N N 4 118.255 118.255 118.583 -0.328 19162 2040 1 8 . 1 1 4 4 ASN C C 4 176.029 176.029 177.443 -1.414 19162 2041 1 8 . 1 1 4 4 ASN CA C 4 54.712 54.712 55.749 -1.037 19162 2042 1 8 . 1 1 4 4 ASN CB C 4 38.244 38.244 37.459 0.785 19162 2043 1 8 . 1 1 4 4 ASN H H 4 8.185 8.185 8.568 -0.383 19162 2044 1 8 . 1 1 5 5 VAL N N 5 119.998 119.998 119.839 0.159 19162 2045 1 8 . 1 1 5 5 VAL C C 5 177.259 177.259 178.269 -1.010 19162 2046 1 8 . 1 1 5 5 VAL CA C 5 64.232 64.232 66.049 -1.817 19162 2047 1 8 . 1 1 5 5 VAL CB C 5 31.524 31.524 31.408 0.116 19162 2048 1 8 . 1 1 5 5 VAL H H 5 7.857 7.857 7.953 -0.096 19162 2049 1 8 . 1 1 6 6 ILE N N 6 122.474 122.474 118.727 3.747 19162 2050 1 8 . 1 1 6 6 ILE C C 6 177.009 177.009 178.101 -1.092 19162 2051 1 8 . 1 1 6 6 ILE CA C 6 63.400 63.400 64.600 -1.200 19162 2052 1 8 . 1 1 6 6 ILE CB C 6 37.177 37.177 37.442 -0.265 19162 2053 1 8 . 1 1 6 6 ILE H H 6 8.062 8.062 7.237 0.825 19162 2054 1 8 . 1 1 7 7 VAL N N 7 120.915 120.915 120.122 0.793 19162 2055 1 8 . 1 1 7 7 VAL C C 7 177.009 177.009 177.837 -0.828 19162 2056 1 8 . 1 1 7 7 VAL CA C 7 65.017 65.017 66.850 -1.833 19162 2057 1 8 . 1 1 7 7 VAL CB C 7 31.309 31.309 31.092 0.217 19162 2058 1 8 . 1 1 7 7 VAL H H 7 7.993 7.993 8.216 -0.223 19162 2059 1 8 . 1 1 8 8 LEU N N 8 121.098 121.098 119.788 1.310 19162 2060 1 8 . 1 1 8 8 LEU C C 8 178.655 178.655 178.725 -0.070 19162 2061 1 8 . 1 1 8 8 LEU CA C 8 56.781 56.781 58.716 -1.935 19162 2062 1 8 . 1 1 8 8 LEU CB C 8 41.010 41.010 41.327 -0.317 19162 2063 1 8 . 1 1 8 8 LEU H H 8 8.061 8.061 7.798 0.263 19162 2064 1 8 . 1 1 9 9 ASN N N 9 118.347 118.347 117.355 0.992 19162 2065 1 8 . 1 1 9 9 ASN C C 9 176.695 176.695 177.188 -0.493 19162 2066 1 8 . 1 1 9 9 ASN CA C 9 54.919 54.919 56.061 -1.142 19162 2067 1 8 . 1 1 9 9 ASN CB C 9 38.674 38.674 38.071 0.603 19162 2068 1 8 . 1 1 9 9 ASN H H 9 8.102 8.102 7.543 0.559 19162 2069 1 8 . 1 1 10 10 ALA N N 10 124.124 124.124 121.966 2.158 19162 2070 1 8 . 1 1 10 10 ALA C C 10 178.263 178.263 179.432 -1.169 19162 2071 1 8 . 1 1 10 10 ALA CA C 10 54.505 54.505 54.942 -0.437 19162 2072 1 8 . 1 1 10 10 ALA CB C 10 17.942 17.942 18.125 -0.183 19162 2073 1 8 . 1 1 10 10 ALA H H 10 8.388 8.388 7.626 0.762 19162 2074 1 8 . 1 1 11 11 ALA N N 11 119.814 119.814 119.659 0.155 19162 2075 1 8 . 1 1 11 11 ALA C C 11 179.204 179.204 179.492 -0.288 19162 2076 1 8 . 1 1 11 11 ALA CA C 11 54.298 54.298 55.109 -0.811 19162 2077 1 8 . 1 1 11 11 ALA CB C 11 17.942 17.942 17.984 -0.042 19162 2078 1 8 . 1 1 11 11 ALA H H 11 8.279 8.279 7.897 0.382 19162 2079 1 8 . 1 1 12 12 SER N N 12 113.303 113.303 114.549 -1.246 19162 2080 1 8 . 1 1 12 12 SER C C 12 175.873 175.873 176.428 -0.555 19162 2081 1 8 . 1 1 12 12 SER CA C 12 60.140 60.140 61.269 -1.129 19162 2082 1 8 . 1 1 12 12 SER CB C 12 63.221 63.221 62.820 0.401 19162 2083 1 8 . 1 1 12 12 SER H H 12 7.952 7.952 7.456 0.496 19162 2084 1 8 . 1 1 13 13 ALA N N 13 124.308 124.308 122.998 1.310 19162 2085 1 8 . 1 1 13 13 ALA C C 13 178.420 178.420 179.255 -0.835 19162 2086 1 8 . 1 1 13 13 ALA CA C 13 53.470 53.470 54.848 -1.378 19162 2087 1 8 . 1 1 13 13 ALA CB C 13 18.373 18.373 18.084 0.289 19162 2088 1 8 . 1 1 13 13 ALA H H 13 7.924 7.924 7.482 0.442 19162 2089 1 8 . 1 1 14 14 ALA N N 14 119.998 119.998 120.872 -0.874 19162 2090 1 8 . 1 1 14 14 ALA C C 14 178.420 178.420 179.689 -1.269 19162 2091 1 8 . 1 1 14 14 ALA CA C 14 53.263 53.263 54.534 -1.271 19162 2092 1 8 . 1 1 14 14 ALA CB C 14 18.373 18.373 18.568 -0.195 19162 2093 1 8 . 1 1 14 14 ALA H H 14 7.965 7.965 7.576 0.389 19162 2094 1 8 . 1 1 15 15 GLY N N 15 105.417 105.417 106.904 -1.487 19162 2095 1 8 . 1 1 15 15 GLY C C 15 174.422 174.422 176.007 -1.585 19162 2096 1 8 . 1 1 15 15 GLY CA C 15 45.605 45.605 46.464 -0.859 19162 2097 1 8 . 1 1 15 15 GLY H H 15 8.020 8.020 7.781 0.239 19162 2098 1 8 . 1 1 16 16 ASN N N 16 118.989 118.989 118.271 0.718 19162 2099 1 8 . 1 1 16 16 ASN C C 16 175.598 175.598 175.838 -0.240 19162 2100 1 8 . 1 1 16 16 ASN CA C 16 53.677 53.677 54.425 -0.748 19162 2101 1 8 . 1 1 16 16 ASN CB C 16 38.621 38.621 38.349 0.272 19162 2102 1 8 . 1 1 16 16 ASN H H 16 8.156 8.156 7.511 0.645 19162 2103 1 8 . 1 1 17 17 HIS N N 17 119.081 119.081 121.530 -2.449 19162 2104 1 8 . 1 1 17 17 HIS C C 17 176.068 176.068 174.647 1.421 19162 2105 1 8 . 1 1 17 17 HIS CA C 17 56.781 56.781 57.408 -0.627 19162 2106 1 8 . 1 1 17 17 HIS CB C 17 29.942 29.942 27.947 1.995 19162 2107 1 8 . 1 1 17 17 HIS H H 17 8.322 8.322 7.457 0.865 19162 2108 1 8 . 1 1 18 18 GLY N N 18 109.543 109.543 112.562 -3.019 19162 2109 1 8 . 1 1 18 18 GLY C C 18 175.206 175.206 173.487 1.719 19162 2110 1 8 . 1 1 18 18 GLY CA C 18 47.054 47.054 44.245 2.809 19162 2111 1 8 . 1 1 18 18 GLY H H 18 8.607 8.607 7.876 0.731 19162 2112 1 8 . 1 1 19 19 PHE N N 19 120.640 120.640 124.954 -4.314 19162 2113 1 8 . 1 1 19 19 PHE C C 19 176.695 176.695 175.674 1.021 19162 2114 1 8 . 1 1 19 19 PHE CA C 19 60.507 60.507 59.502 1.005 19162 2115 1 8 . 1 1 19 19 PHE CB C 19 38.638 38.638 38.336 0.302 19162 2116 1 8 . 1 1 19 19 PHE H H 19 8.716 8.716 8.549 0.167 19162 2117 1 8 . 1 1 20 20 PHE N N 20 118.989 118.989 115.894 3.095 19162 2118 1 8 . 1 1 20 20 PHE C C 20 176.617 176.617 176.933 -0.316 19162 2119 1 8 . 1 1 20 20 PHE CA C 20 61.334 61.334 59.240 2.094 19162 2120 1 8 . 1 1 20 20 PHE CB C 20 38.460 38.460 36.901 1.559 19162 2121 1 8 . 1 1 20 20 PHE H H 20 8.143 8.143 7.106 1.037 19162 2122 1 8 . 1 1 21 21 TRP N N 21 118.897 118.897 122.431 -3.534 19162 2123 1 8 . 1 1 21 21 TRP C C 21 178.577 178.577 178.291 0.286 19162 2124 1 8 . 1 1 21 21 TRP CA C 21 59.691 59.691 59.340 0.351 19162 2125 1 8 . 1 1 21 21 TRP CB C 21 29.636 29.636 29.936 -0.301 19162 2126 1 8 . 1 1 21 21 TRP H H 21 7.911 7.911 6.578 1.333 19162 2127 1 8 . 1 1 22 22 GLY N N 22 105.692 105.692 106.967 -1.275 19162 2128 1 8 . 1 1 22 22 GLY C C 22 174.657 174.657 175.423 -0.766 19162 2129 1 8 . 1 1 22 22 GLY CA C 22 47.261 47.261 46.861 0.400 19162 2130 1 8 . 1 1 22 22 GLY H H 22 8.306 8.306 7.705 0.601 19162 2131 1 8 . 1 1 23 23 LEU N N 23 121.557 121.557 122.871 -1.314 19162 2132 1 8 . 1 1 23 23 LEU C C 23 179.752 179.752 178.253 1.499 19162 2133 1 8 . 1 1 23 23 LEU CA C 23 57.402 57.402 57.595 -0.193 19162 2134 1 8 . 1 1 23 23 LEU CB C 23 40.579 40.579 42.069 -1.490 19162 2135 1 8 . 1 1 23 23 LEU H H 23 7.993 7.993 7.754 0.239 19162 2136 1 8 . 1 1 24 24 LEU N N 24 122.382 122.382 119.967 2.415 19162 2137 1 8 . 1 1 24 24 LEU C C 24 178.185 178.185 178.390 -0.205 19162 2138 1 8 . 1 1 24 24 LEU CA C 24 58.437 58.437 57.559 0.878 19162 2139 1 8 . 1 1 24 24 LEU CB C 24 40.439 40.439 41.231 -0.792 19162 2140 1 8 . 1 1 24 24 LEU H H 24 8.047 8.047 7.369 0.678 19162 2141 1 8 . 1 1 25 25 VAL N N 25 118.255 118.255 118.419 -0.164 19162 2142 1 8 . 1 1 25 25 VAL C C 25 177.636 177.636 177.365 0.271 19162 2143 1 8 . 1 1 25 25 VAL CA C 25 67.129 67.129 66.151 0.978 19162 2144 1 8 . 1 1 25 25 VAL CB C 25 30.813 30.813 31.587 -0.774 19162 2145 1 8 . 1 1 25 25 VAL H H 25 8.102 8.102 6.938 1.164 19162 2146 1 8 . 1 1 26 26 VAL N N 26 118.072 118.072 118.767 -0.695 19162 2147 1 8 . 1 1 26 26 VAL C C 26 177.322 177.322 177.927 -0.605 19162 2148 1 8 . 1 1 26 26 VAL CA C 26 66.686 66.686 66.729 -0.043 19162 2149 1 8 . 1 1 26 26 VAL CB C 26 30.653 30.653 31.366 -0.713 19162 2150 1 8 . 1 1 26 26 VAL H H 26 8.088 8.088 7.382 0.706 19162 2151 1 8 . 1 1 27 27 THR N N 27 116.788 116.788 114.761 2.027 19162 2152 1 8 . 1 1 27 27 THR C C 27 177.322 177.322 176.742 0.580 19162 2153 1 8 . 1 1 27 27 THR CA C 27 67.750 67.750 66.310 1.440 19162 2154 1 8 . 1 1 27 27 THR H H 27 8.047 8.047 7.817 0.230 19162 2155 1 8 . 1 1 28 28 LEU N N 28 122.932 122.932 122.436 0.496 19162 2156 1 8 . 1 1 28 28 LEU C C 28 178.499 178.499 178.102 0.397 19162 2157 1 8 . 1 1 28 28 LEU CA C 28 58.230 58.230 57.710 0.520 19162 2158 1 8 . 1 1 28 28 LEU CB C 28 40.794 40.794 41.436 -0.642 19162 2159 1 8 . 1 1 28 28 LEU H H 28 8.429 8.429 7.946 0.483 19162 2160 1 8 . 1 1 29 29 ALA N N 29 121.190 121.190 121.941 -0.751 19162 2161 1 8 . 1 1 29 29 ALA C C 29 178.890 178.890 179.691 -0.801 19162 2162 1 8 . 1 1 29 29 ALA CA C 29 55.333 55.333 54.934 0.399 19162 2163 1 8 . 1 1 29 29 ALA CB C 29 17.727 17.727 18.175 -0.448 19162 2164 1 8 . 1 1 29 29 ALA H H 29 8.607 8.607 7.669 0.938 19162 2165 1 8 . 1 1 30 30 TRP N N 30 118.622 118.622 119.460 -0.838 19162 2166 1 8 . 1 1 30 30 TRP C C 30 178.420 178.420 179.181 -0.761 19162 2167 1 8 . 1 1 30 30 TRP CA C 30 60.300 60.300 60.770 -0.470 19162 2168 1 8 . 1 1 30 30 TRP CB C 30 28.937 28.937 29.315 -0.378 19162 2169 1 8 . 1 1 30 30 TRP H H 30 8.538 8.538 7.885 0.653 19162 2170 1 8 . 1 1 31 31 HIS N N 31 117.888 117.888 119.870 -1.982 19162 2171 1 8 . 1 1 31 31 HIS C C 31 177.949 177.949 177.220 0.729 19162 2172 1 8 . 1 1 31 31 HIS CA C 31 59.886 59.886 59.495 0.391 19162 2173 1 8 . 1 1 31 31 HIS CB C 31 30.015 30.015 29.996 0.019 19162 2174 1 8 . 1 1 31 31 HIS H H 31 8.238 8.238 8.034 0.204 19162 2175 1 8 . 1 1 32 32 VAL N N 32 116.788 116.788 114.257 2.531 19162 2176 1 8 . 1 1 32 32 VAL C C 32 177.401 177.401 176.988 0.413 19162 2177 1 8 . 1 1 32 32 VAL CA C 32 64.853 64.853 64.615 0.238 19162 2178 1 8 . 1 1 32 32 VAL CB C 32 30.877 30.877 31.010 -0.133 19162 2179 1 8 . 1 1 32 32 VAL H H 32 8.429 8.429 7.749 0.680 19162 2180 1 8 . 1 1 33 33 LYS N N 33 120.548 120.548 121.197 -0.649 19162 2181 1 8 . 1 1 33 33 LYS C C 33 177.636 177.636 178.563 -0.927 19162 2182 1 8 . 1 1 33 33 LYS CA C 33 58.851 58.851 60.018 -1.167 19162 2183 1 8 . 1 1 33 33 LYS CB C 33 31.134 31.134 31.915 -0.781 19162 2184 1 8 . 1 1 33 33 LYS H H 33 8.047 8.047 7.560 0.487 19162 2185 1 8 . 1 1 34 34 GLY N N 34 106.701 106.701 104.775 1.926 19162 2186 1 8 . 1 1 34 34 GLY C C 34 174.814 174.814 176.587 -1.773 19162 2187 1 8 . 1 1 34 34 GLY CA C 34 46.019 46.019 46.552 -0.533 19162 2188 1 8 . 1 1 34 34 GLY H H 34 7.938 7.938 7.884 0.054 19162 2189 1 8 . 1 1 35 35 ARG N N 35 118.164 118.164 121.770 -3.606 19162 2190 1 8 . 1 1 35 35 ARG C C 35 176.460 176.460 178.298 -1.838 19162 2191 1 8 . 1 1 35 35 ARG CA C 35 55.954 55.954 58.516 -2.562 19162 2192 1 8 . 1 1 35 35 ARG CB C 35 29.799 29.799 29.919 -0.120 19162 2193 1 8 . 1 1 35 35 ARG H H 35 7.624 7.624 7.486 0.138 19162 2194 1 8 . 1 1 36 36 LEU N N 36 118.897 118.897 119.941 -1.044 19162 2195 1 8 . 1 1 36 36 LEU C C 36 176.539 176.539 178.144 -1.605 19162 2196 1 8 . 1 1 36 36 LEU CA C 36 55.540 55.540 58.163 -2.623 19162 2197 1 8 . 1 1 36 36 LEU CB C 36 42.303 42.303 42.010 0.293 19162 2198 1 8 . 1 1 36 36 LEU H H 36 7.720 7.720 8.061 -0.341 19162 2199 1 8 . 1 1 37 37 VAL N N 37 118.530 118.530 117.825 0.705 19162 2200 1 8 . 1 1 37 37 VAL C C 37 173.804 173.804 175.222 -1.418 19162 2201 1 8 . 1 1 37 37 VAL CA C 37 59.472 59.472 67.800 -8.328 19162 2202 1 8 . 1 1 37 37 VAL CB C 37 31.722 31.722 28.989 2.733 19162 2203 1 8 . 1 1 37 37 VAL H H 37 7.911 7.911 7.422 0.489 19162 2204 1 8 . 1 1 38 38 PRO C C 38 177.636 177.636 177.844 -0.208 19162 2205 1 8 . 1 1 38 38 PRO CA C 38 63.611 63.611 64.977 -1.366 19162 2206 1 8 . 1 1 38 38 PRO CB C 38 31.093 31.093 31.470 -0.377 19162 2207 1 8 . 1 1 39 39 GLY N N 39 109.268 109.268 105.591 3.677 19162 2208 1 8 . 1 1 39 39 GLY C C 39 174.422 174.422 176.056 -1.634 19162 2209 1 8 . 1 1 39 39 GLY CA C 39 45.192 45.192 45.786 -0.594 19162 2210 1 8 . 1 1 39 39 GLY H H 39 8.525 8.525 7.620 0.905 19162 2211 1 8 . 1 1 40 40 ALA N N 40 123.391 123.391 124.544 -1.153 19162 2212 1 8 . 1 1 40 40 ALA C C 40 178.028 178.028 178.283 -0.255 19162 2213 1 8 . 1 1 40 40 ALA CA C 40 52.642 52.642 53.627 -0.985 19162 2214 1 8 . 1 1 40 40 ALA CB C 40 18.804 18.804 19.325 -0.521 19162 2215 1 8 . 1 1 40 40 ALA H H 40 7.965 7.965 7.691 0.274 19162 2216 1 8 . 1 1 41 41 THR N N 41 113.028 113.028 112.620 0.408 19162 2217 1 8 . 1 1 41 41 THR C C 41 175.363 175.363 173.735 1.628 19162 2218 1 8 . 1 1 41 41 THR CA C 41 62.162 62.162 62.034 0.128 19162 2219 1 8 . 1 1 41 41 THR CB C 41 69.467 69.467 68.883 0.584 19162 2220 1 8 . 1 1 41 41 THR H H 41 8.115 8.115 7.628 0.487 19162 2221 1 8 . 1 1 42 42 TYR N N 42 121.373 121.373 125.234 -3.861 19162 2222 1 8 . 1 1 42 42 TYR C C 42 176.303 176.303 174.202 2.101 19162 2223 1 8 . 1 1 42 42 TYR CA C 42 59.473 59.473 57.260 2.213 19162 2224 1 8 . 1 1 42 42 TYR CB C 42 37.992 37.992 38.013 -0.021 19162 2225 1 8 . 1 1 42 42 TYR H H 42 8.429 8.429 7.700 0.729 19162 2226 1 8 . 1 1 43 43 LEU N N 43 119.906 119.906 120.663 -0.757 19162 2227 1 8 . 1 1 43 43 LEU C C 43 177.405 177.405 175.862 1.543 19162 2228 1 8 . 1 1 43 43 LEU CA C 43 55.540 55.540 53.826 1.714 19162 2229 1 8 . 1 1 43 43 LEU CB C 43 41.455 41.455 44.008 -2.553 19162 2230 1 8 . 1 1 43 43 LEU H H 43 7.899 7.899 8.372 -0.473 19162 2231 1 8 . 1 1 44 44 SER N N 44 115.779 115.779 115.531 0.248 19162 2232 1 8 . 1 1 44 44 SER C C 44 175.049 175.049 174.947 0.102 19162 2233 1 8 . 1 1 44 44 SER CA C 44 59.058 59.058 57.373 1.685 19162 2234 1 8 . 1 1 44 44 SER CB C 44 63.649 63.649 62.349 1.300 19162 2235 1 8 . 1 1 44 44 SER H H 44 7.979 7.979 8.311 -0.332 19162 2236 1 8 . 1 1 45 45 LEU N N 45 122.199 122.199 126.470 -4.271 19162 2237 1 8 . 1 1 45 45 LEU C C 45 177.322 177.322 178.319 -0.997 19162 2238 1 8 . 1 1 45 45 LEU CA C 45 55.747 55.747 56.030 -0.283 19162 2239 1 8 . 1 1 45 45 LEU CB C 45 41.441 41.441 42.305 -0.864 19162 2240 1 8 . 1 1 45 45 LEU H H 45 8.211 8.211 8.627 -0.416 19162 2241 1 8 . 1 1 46 46 GLY N N 46 105.325 105.325 106.109 -0.784 19162 2242 1 8 . 1 1 46 46 GLY C C 46 174.422 174.422 174.928 -0.506 19162 2243 1 8 . 1 1 46 46 GLY CA C 46 45.812 45.812 45.452 0.360 19162 2244 1 8 . 1 1 46 46 GLY H H 46 8.129 8.129 8.391 -0.262 19162 2245 1 8 . 1 1 47 47 VAL N N 47 117.063 117.063 115.006 2.057 19162 2246 1 8 . 1 1 47 47 VAL C C 47 177.087 177.087 176.514 0.573 19162 2247 1 8 . 1 1 47 47 VAL CA C 47 62.783 62.783 61.975 0.808 19162 2248 1 8 . 1 1 47 47 VAL CB C 47 31.524 31.524 32.949 -1.425 19162 2249 1 8 . 1 1 47 47 VAL H H 47 7.897 7.897 7.708 0.189 19162 2250 1 8 . 1 1 48 48 TRP N N 48 121.465 121.465 124.931 -3.466 19162 2251 1 8 . 1 1 48 48 TRP C C 48 175.284 175.284 175.210 0.074 19162 2252 1 8 . 1 1 48 48 TRP CA C 48 60.921 60.921 61.210 -0.289 19162 2253 1 8 . 1 1 48 48 TRP CB C 48 27.644 27.644 27.841 -0.197 19162 2254 1 8 . 1 1 48 48 TRP H H 48 7.938 7.938 8.614 -0.676 19162 2255 1 8 . 1 1 49 49 PRO C C 49 177.610 177.610 178.182 -0.572 19162 2256 1 8 . 1 1 49 49 PRO CA C 49 65.888 65.888 64.727 1.161 19162 2257 1 8 . 1 1 49 49 PRO CB C 49 30.599 30.599 31.197 -0.598 19162 2258 1 8 . 1 1 50 50 LEU N N 50 115.596 115.596 118.552 -2.956 19162 2259 1 8 . 1 1 50 50 LEU C C 50 179.125 179.125 179.365 -0.240 19162 2260 1 8 . 1 1 50 50 LEU CA C 50 57.195 57.195 57.606 -0.411 19162 2261 1 8 . 1 1 50 50 LEU CB C 50 40.579 40.579 41.545 -0.966 19162 2262 1 8 . 1 1 50 50 LEU H H 50 7.215 7.215 7.786 -0.571 19162 2263 1 8 . 1 1 51 51 LEU N N 51 119.906 119.906 119.471 0.435 19162 2264 1 8 . 1 1 51 51 LEU C C 51 178.812 178.812 178.538 0.274 19162 2265 1 8 . 1 1 51 51 LEU CA C 51 57.402 57.402 58.264 -0.862 19162 2266 1 8 . 1 1 51 51 LEU CB C 51 41.027 41.027 41.768 -0.741 19162 2267 1 8 . 1 1 51 51 LEU H H 51 7.856 7.856 7.400 0.456 19162 2268 1 8 . 1 1 52 52 LEU N N 52 117.980 117.980 118.010 -0.030 19162 2269 1 8 . 1 1 52 52 LEU C C 52 178.655 178.655 179.296 -0.641 19162 2270 1 8 . 1 1 52 52 LEU CA C 52 57.753 57.753 57.616 0.137 19162 2271 1 8 . 1 1 52 52 LEU CB C 52 40.974 40.974 40.487 0.487 19162 2272 1 8 . 1 1 52 52 LEU H H 52 7.965 7.965 7.242 0.723 19162 2273 1 8 . 1 1 53 53 VAL N N 53 117.063 117.063 115.650 1.413 19162 2274 1 8 . 1 1 53 53 VAL C C 53 177.636 177.636 177.837 -0.201 19162 2275 1 8 . 1 1 53 53 VAL CA C 53 66.302 66.302 65.629 0.673 19162 2276 1 8 . 1 1 53 53 VAL CB C 53 30.877 30.877 30.571 0.306 19162 2277 1 8 . 1 1 53 53 VAL H H 53 7.774 7.774 7.564 0.210 19162 2278 1 8 . 1 1 54 54 ARG N N 54 118.439 118.439 120.304 -1.865 19162 2279 1 8 . 1 1 54 54 ARG C C 54 178.263 178.263 177.813 0.450 19162 2280 1 8 . 1 1 54 54 ARG CA C 54 58.230 58.230 59.535 -1.304 19162 2281 1 8 . 1 1 54 54 ARG CB C 54 29.368 29.368 29.996 -0.628 19162 2282 1 8 . 1 1 54 54 ARG H H 54 7.665 7.665 7.479 0.186 19162 2283 1 8 . 1 1 55 55 LEU N N 55 117.888 117.888 117.225 0.663 19162 2284 1 8 . 1 1 55 55 LEU C C 55 177.649 177.649 178.975 -1.326 19162 2285 1 8 . 1 1 55 55 LEU CA C 55 56.521 56.521 57.083 -0.562 19162 2286 1 8 . 1 1 55 55 LEU CB C 55 42.097 42.097 42.069 0.028 19162 2287 1 8 . 1 1 55 55 LEU H H 55 7.789 7.789 7.445 0.344 19162 2288 1 8 . 1 1 56 56 LEU N N 56 116.146 116.146 118.041 -1.895 19162 2289 1 8 . 1 1 56 56 LEU C C 56 176.930 176.930 178.865 -1.935 19162 2290 1 8 . 1 1 56 56 LEU CA C 56 55.333 55.333 56.885 -1.552 19162 2291 1 8 . 1 1 56 56 LEU CB C 56 41.990 41.990 41.703 0.287 19162 2292 1 8 . 1 1 56 56 LEU H H 56 7.693 7.693 7.306 0.387 19162 2293 1 8 . 1 1 57 57 ARG N N 57 118.897 118.897 119.691 -0.794 19162 2294 1 8 . 1 1 57 57 ARG C C 57 173.795 173.795 176.326 -2.531 19162 2295 1 8 . 1 1 57 57 ARG CA C 57 54.919 54.919 60.663 -5.745 19162 2296 1 8 . 1 1 57 57 ARG CB C 57 29.153 29.153 28.666 0.487 19162 2297 1 8 . 1 1 57 57 ARG H H 57 7.856 7.856 8.337 -0.481 19162 2298 1 8 . 1 1 58 58 PRO C C 58 177.009 177.009 177.615 -0.606 19162 2299 1 8 . 1 1 58 58 PRO CA C 58 63.611 63.611 64.390 -0.779 19162 2300 1 8 . 1 1 58 58 PRO CB C 58 31.027 31.027 31.636 -0.609 19162 2301 1 8 . 1 1 59 59 HIS N N 59 119.264 119.264 115.029 4.235 19162 2302 1 8 . 1 1 59 59 HIS C C 59 175.520 175.520 174.998 0.522 19162 2303 1 8 . 1 1 59 59 HIS CA C 59 56.574 56.574 57.615 -1.041 19162 2304 1 8 . 1 1 59 59 HIS CB C 59 30.446 30.446 29.013 1.433 19162 2305 1 8 . 1 1 59 59 HIS H H 59 8.375 8.375 7.927 0.448 19162 2306 1 8 . 1 1 60 60 ARG N N 60 122.382 122.382 120.462 1.920 19162 2307 1 8 . 1 1 60 60 ARG C C 60 175.598 175.598 174.973 0.625 19162 2308 1 8 . 1 1 60 60 ARG CA C 60 55.751 55.751 56.454 -0.703 19162 2309 1 8 . 1 1 60 60 ARG CB C 60 30.064 30.064 30.066 -0.002 19162 2310 1 8 . 1 1 60 60 ARG H H 60 7.980 7.980 8.257 -0.277 19162 2311 1 8 . 1 1 61 61 ALA N N 61 125.041 125.041 127.755 -2.714 19162 2312 1 8 . 1 1 61 61 ALA C C 61 177.401 177.401 177.773 -0.372 19162 2313 1 8 . 1 1 61 61 ALA CA C 61 52.228 52.228 52.686 -0.458 19162 2314 1 8 . 1 1 61 61 ALA CB C 61 18.804 18.804 18.816 -0.012 19162 2315 1 8 . 1 1 61 61 ALA H H 61 8.320 8.320 8.691 -0.371 19162 2316 1 8 . 1 1 62 62 LEU N N 62 121.281 121.281 118.337 2.944 19162 2317 1 8 . 1 1 62 62 LEU C C 62 175.911 175.911 176.931 -1.020 19162 2318 1 8 . 1 1 62 62 LEU CA C 62 54.919 54.919 54.307 0.612 19162 2319 1 8 . 1 1 62 62 LEU CB C 62 41.657 41.657 40.917 0.740 19162 2320 1 8 . 1 1 62 62 LEU H H 62 8.115 8.115 7.855 0.260 19162 2321 1 9 . 1 1 2 2 ALA C C 2 178.255 178.255 178.767 -0.512 19162 2322 1 9 . 1 1 2 2 ALA CA C 2 53.263 53.263 53.634 -0.371 19162 2323 1 9 . 1 1 2 2 ALA CB C 2 18.411 18.411 19.264 -0.853 19162 2324 1 9 . 1 1 3 3 LYS N N 3 119.081 119.081 119.206 -0.125 19162 2325 1 9 . 1 1 3 3 LYS C C 3 176.752 176.752 175.302 1.450 19162 2326 1 9 . 1 1 3 3 LYS CA C 3 57.816 57.816 55.982 1.834 19162 2327 1 9 . 1 1 3 3 LYS CB C 3 31.751 31.751 30.994 0.757 19162 2328 1 9 . 1 1 3 3 LYS H H 3 8.607 8.607 8.281 0.326 19162 2329 1 9 . 1 1 4 4 ASN N N 4 118.255 118.255 120.470 -2.215 19162 2330 1 9 . 1 1 4 4 ASN C C 4 176.029 176.029 174.208 1.821 19162 2331 1 9 . 1 1 4 4 ASN CA C 4 54.712 54.712 53.650 1.062 19162 2332 1 9 . 1 1 4 4 ASN CB C 4 38.244 38.244 39.641 -1.397 19162 2333 1 9 . 1 1 4 4 ASN H H 4 8.185 8.185 8.319 -0.134 19162 2334 1 9 . 1 1 5 5 VAL N N 5 119.998 119.998 116.538 3.460 19162 2335 1 9 . 1 1 5 5 VAL C C 5 177.259 177.259 176.542 0.717 19162 2336 1 9 . 1 1 5 5 VAL CA C 5 64.232 64.232 63.737 0.495 19162 2337 1 9 . 1 1 5 5 VAL CB C 5 31.524 31.524 32.293 -0.769 19162 2338 1 9 . 1 1 5 5 VAL H H 5 7.857 7.857 7.632 0.225 19162 2339 1 9 . 1 1 6 6 ILE N N 6 122.474 122.474 122.104 0.370 19162 2340 1 9 . 1 1 6 6 ILE C C 6 177.009 177.009 177.515 -0.506 19162 2341 1 9 . 1 1 6 6 ILE CA C 6 63.400 63.400 65.184 -1.784 19162 2342 1 9 . 1 1 6 6 ILE CB C 6 37.177 37.177 37.486 -0.309 19162 2343 1 9 . 1 1 6 6 ILE H H 6 8.062 8.062 8.299 -0.237 19162 2344 1 9 . 1 1 7 7 VAL N N 7 120.915 120.915 117.907 3.008 19162 2345 1 9 . 1 1 7 7 VAL C C 7 177.009 177.009 177.616 -0.607 19162 2346 1 9 . 1 1 7 7 VAL CA C 7 65.017 65.017 65.559 -0.542 19162 2347 1 9 . 1 1 7 7 VAL CB C 7 31.309 31.309 30.782 0.527 19162 2348 1 9 . 1 1 7 7 VAL H H 7 7.993 7.993 7.816 0.177 19162 2349 1 9 . 1 1 8 8 LEU N N 8 121.098 121.098 120.281 0.817 19162 2350 1 9 . 1 1 8 8 LEU C C 8 178.655 178.655 179.081 -0.426 19162 2351 1 9 . 1 1 8 8 LEU CA C 8 56.781 56.781 58.229 -1.448 19162 2352 1 9 . 1 1 8 8 LEU CB C 8 41.010 41.010 41.111 -0.101 19162 2353 1 9 . 1 1 8 8 LEU H H 8 8.061 8.061 7.316 0.745 19162 2354 1 9 . 1 1 9 9 ASN N N 9 118.347 118.347 117.669 0.678 19162 2355 1 9 . 1 1 9 9 ASN C C 9 176.695 176.695 177.276 -0.581 19162 2356 1 9 . 1 1 9 9 ASN CA C 9 54.919 54.919 56.089 -1.170 19162 2357 1 9 . 1 1 9 9 ASN CB C 9 38.674 38.674 38.343 0.331 19162 2358 1 9 . 1 1 9 9 ASN H H 9 8.102 8.102 7.643 0.459 19162 2359 1 9 . 1 1 10 10 ALA N N 10 124.124 124.124 121.966 2.158 19162 2360 1 9 . 1 1 10 10 ALA C C 10 178.263 178.263 179.351 -1.088 19162 2361 1 9 . 1 1 10 10 ALA CA C 10 54.505 54.505 54.916 -0.411 19162 2362 1 9 . 1 1 10 10 ALA CB C 10 17.942 17.942 18.072 -0.130 19162 2363 1 9 . 1 1 10 10 ALA H H 10 8.388 8.388 7.707 0.681 19162 2364 1 9 . 1 1 11 11 ALA N N 11 119.814 119.814 120.077 -0.263 19162 2365 1 9 . 1 1 11 11 ALA C C 11 179.204 179.204 179.502 -0.298 19162 2366 1 9 . 1 1 11 11 ALA CA C 11 54.298 54.298 55.143 -0.845 19162 2367 1 9 . 1 1 11 11 ALA CB C 11 17.942 17.942 17.799 0.143 19162 2368 1 9 . 1 1 11 11 ALA H H 11 8.279 8.279 7.803 0.476 19162 2369 1 9 . 1 1 12 12 SER N N 12 113.303 113.303 114.626 -1.323 19162 2370 1 9 . 1 1 12 12 SER C C 12 175.873 175.873 176.518 -0.645 19162 2371 1 9 . 1 1 12 12 SER CA C 12 60.140 60.140 61.225 -1.085 19162 2372 1 9 . 1 1 12 12 SER CB C 12 63.221 63.221 62.721 0.500 19162 2373 1 9 . 1 1 12 12 SER H H 12 7.952 7.952 7.471 0.481 19162 2374 1 9 . 1 1 13 13 ALA N N 13 124.308 124.308 123.448 0.860 19162 2375 1 9 . 1 1 13 13 ALA C C 13 178.420 178.420 178.807 -0.387 19162 2376 1 9 . 1 1 13 13 ALA CA C 13 53.470 53.470 54.802 -1.332 19162 2377 1 9 . 1 1 13 13 ALA CB C 13 18.373 18.373 18.201 0.172 19162 2378 1 9 . 1 1 13 13 ALA H H 13 7.924 7.924 7.482 0.442 19162 2379 1 9 . 1 1 14 14 ALA N N 14 119.998 119.998 121.151 -1.153 19162 2380 1 9 . 1 1 14 14 ALA C C 14 178.420 178.420 179.642 -1.222 19162 2381 1 9 . 1 1 14 14 ALA CA C 14 53.263 53.263 54.116 -0.853 19162 2382 1 9 . 1 1 14 14 ALA CB C 14 18.373 18.373 18.530 -0.158 19162 2383 1 9 . 1 1 14 14 ALA H H 14 7.965 7.965 7.560 0.405 19162 2384 1 9 . 1 1 15 15 GLY N N 15 105.417 105.417 107.185 -1.768 19162 2385 1 9 . 1 1 15 15 GLY C C 15 174.422 174.422 175.798 -1.376 19162 2386 1 9 . 1 1 15 15 GLY CA C 15 45.605 45.605 46.188 -0.583 19162 2387 1 9 . 1 1 15 15 GLY H H 15 8.020 8.020 7.673 0.347 19162 2388 1 9 . 1 1 16 16 ASN N N 16 118.989 118.989 119.597 -0.608 19162 2389 1 9 . 1 1 16 16 ASN C C 16 175.598 175.598 175.961 -0.363 19162 2390 1 9 . 1 1 16 16 ASN CA C 16 53.677 53.677 54.326 -0.649 19162 2391 1 9 . 1 1 16 16 ASN CB C 16 38.621 38.621 38.954 -0.333 19162 2392 1 9 . 1 1 16 16 ASN H H 16 8.156 8.156 7.442 0.714 19162 2393 1 9 . 1 1 17 17 HIS N N 17 119.081 119.081 120.073 -0.992 19162 2394 1 9 . 1 1 17 17 HIS C C 17 176.068 176.068 174.657 1.411 19162 2395 1 9 . 1 1 17 17 HIS CA C 17 56.781 56.781 56.913 -0.132 19162 2396 1 9 . 1 1 17 17 HIS CB C 17 29.942 29.942 29.569 0.373 19162 2397 1 9 . 1 1 17 17 HIS H H 17 8.322 8.322 7.866 0.456 19162 2398 1 9 . 1 1 18 18 GLY N N 18 109.543 109.543 110.854 -1.311 19162 2399 1 9 . 1 1 18 18 GLY C C 18 175.206 175.206 173.621 1.585 19162 2400 1 9 . 1 1 18 18 GLY CA C 18 47.054 47.054 44.822 2.232 19162 2401 1 9 . 1 1 18 18 GLY H H 18 8.607 8.607 8.001 0.606 19162 2402 1 9 . 1 1 19 19 PHE N N 19 120.640 120.640 121.744 -1.104 19162 2403 1 9 . 1 1 19 19 PHE C C 19 176.695 176.695 176.514 0.181 19162 2404 1 9 . 1 1 19 19 PHE CA C 19 60.507 60.507 59.724 0.783 19162 2405 1 9 . 1 1 19 19 PHE CB C 19 38.638 38.638 39.096 -0.458 19162 2406 1 9 . 1 1 19 19 PHE H H 19 8.716 8.716 8.606 0.110 19162 2407 1 9 . 1 1 20 20 PHE N N 20 118.989 118.989 118.539 0.450 19162 2408 1 9 . 1 1 20 20 PHE C C 20 176.617 176.617 178.088 -1.471 19162 2409 1 9 . 1 1 20 20 PHE CA C 20 61.334 61.334 61.109 0.225 19162 2410 1 9 . 1 1 20 20 PHE CB C 20 38.460 38.460 37.951 0.509 19162 2411 1 9 . 1 1 20 20 PHE H H 20 8.143 8.143 7.549 0.594 19162 2412 1 9 . 1 1 21 21 TRP N N 21 118.897 118.897 120.125 -1.228 19162 2413 1 9 . 1 1 21 21 TRP C C 21 178.577 178.577 178.084 0.493 19162 2414 1 9 . 1 1 21 21 TRP CA C 21 59.691 59.691 59.803 -0.112 19162 2415 1 9 . 1 1 21 21 TRP CB C 21 29.636 29.636 29.532 0.104 19162 2416 1 9 . 1 1 21 21 TRP H H 21 7.911 7.911 8.320 -0.409 19162 2417 1 9 . 1 1 22 22 GLY N N 22 105.692 105.692 105.836 -0.144 19162 2418 1 9 . 1 1 22 22 GLY C C 22 174.657 174.657 175.805 -1.148 19162 2419 1 9 . 1 1 22 22 GLY CA C 22 47.261 47.261 47.147 0.114 19162 2420 1 9 . 1 1 22 22 GLY H H 22 8.306 8.306 7.558 0.748 19162 2421 1 9 . 1 1 23 23 LEU N N 23 121.557 121.557 121.721 -0.164 19162 2422 1 9 . 1 1 23 23 LEU C C 23 179.752 179.752 178.573 1.179 19162 2423 1 9 . 1 1 23 23 LEU CA C 23 57.402 57.402 57.324 0.078 19162 2424 1 9 . 1 1 23 23 LEU CB C 23 40.579 40.579 41.648 -1.069 19162 2425 1 9 . 1 1 23 23 LEU H H 23 7.993 7.993 7.176 0.817 19162 2426 1 9 . 1 1 24 24 LEU N N 24 122.382 122.382 119.321 3.061 19162 2427 1 9 . 1 1 24 24 LEU C C 24 178.185 178.185 177.988 0.197 19162 2428 1 9 . 1 1 24 24 LEU CA C 24 58.437 58.437 58.125 0.312 19162 2429 1 9 . 1 1 24 24 LEU CB C 24 40.439 40.439 40.960 -0.521 19162 2430 1 9 . 1 1 24 24 LEU H H 24 8.047 8.047 7.235 0.812 19162 2431 1 9 . 1 1 25 25 VAL N N 25 118.255 118.255 115.330 2.925 19162 2432 1 9 . 1 1 25 25 VAL C C 25 177.636 177.636 177.850 -0.214 19162 2433 1 9 . 1 1 25 25 VAL CA C 25 67.129 67.129 65.438 1.691 19162 2434 1 9 . 1 1 25 25 VAL CB C 25 30.813 30.813 30.810 0.003 19162 2435 1 9 . 1 1 25 25 VAL H H 25 8.102 8.102 7.131 0.971 19162 2436 1 9 . 1 1 26 26 VAL N N 26 118.072 118.072 120.230 -2.158 19162 2437 1 9 . 1 1 26 26 VAL C C 26 177.322 177.322 178.484 -1.162 19162 2438 1 9 . 1 1 26 26 VAL CA C 26 66.686 66.686 66.267 0.419 19162 2439 1 9 . 1 1 26 26 VAL CB C 26 30.653 30.653 30.332 0.321 19162 2440 1 9 . 1 1 26 26 VAL H H 26 8.088 8.088 7.318 0.770 19162 2441 1 9 . 1 1 27 27 THR N N 27 116.788 116.788 117.220 -0.432 19162 2442 1 9 . 1 1 27 27 THR C C 27 177.322 177.322 177.052 0.270 19162 2443 1 9 . 1 1 27 27 THR CA C 27 67.750 67.750 67.007 0.743 19162 2444 1 9 . 1 1 27 27 THR H H 27 8.047 8.047 8.004 0.043 19162 2445 1 9 . 1 1 28 28 LEU N N 28 122.932 122.932 121.772 1.160 19162 2446 1 9 . 1 1 28 28 LEU C C 28 178.499 178.499 178.921 -0.422 19162 2447 1 9 . 1 1 28 28 LEU CA C 28 58.230 58.230 58.319 -0.089 19162 2448 1 9 . 1 1 28 28 LEU CB C 28 40.794 40.794 41.431 -0.638 19162 2449 1 9 . 1 1 28 28 LEU H H 28 8.429 8.429 8.110 0.319 19162 2450 1 9 . 1 1 29 29 ALA N N 29 121.190 121.190 121.663 -0.473 19162 2451 1 9 . 1 1 29 29 ALA C C 29 178.890 178.890 179.938 -1.048 19162 2452 1 9 . 1 1 29 29 ALA CA C 29 55.333 55.333 54.740 0.593 19162 2453 1 9 . 1 1 29 29 ALA CB C 29 17.727 17.727 18.250 -0.523 19162 2454 1 9 . 1 1 29 29 ALA H H 29 8.607 8.607 7.627 0.980 19162 2455 1 9 . 1 1 30 30 TRP N N 30 118.622 118.622 119.113 -0.491 19162 2456 1 9 . 1 1 30 30 TRP C C 30 178.420 178.420 178.797 -0.377 19162 2457 1 9 . 1 1 30 30 TRP CA C 30 60.300 60.300 60.337 -0.037 19162 2458 1 9 . 1 1 30 30 TRP CB C 30 28.937 28.937 29.405 -0.468 19162 2459 1 9 . 1 1 30 30 TRP H H 30 8.538 8.538 7.878 0.660 19162 2460 1 9 . 1 1 31 31 HIS N N 31 117.888 117.888 119.604 -1.716 19162 2461 1 9 . 1 1 31 31 HIS C C 31 177.949 177.949 177.745 0.204 19162 2462 1 9 . 1 1 31 31 HIS CA C 31 59.886 59.886 59.970 -0.084 19162 2463 1 9 . 1 1 31 31 HIS CB C 31 30.015 30.015 30.215 -0.200 19162 2464 1 9 . 1 1 31 31 HIS H H 31 8.238 8.238 7.808 0.430 19162 2465 1 9 . 1 1 32 32 VAL N N 32 116.788 116.788 119.112 -2.324 19162 2466 1 9 . 1 1 32 32 VAL C C 32 177.401 177.401 176.519 0.882 19162 2467 1 9 . 1 1 32 32 VAL CA C 32 64.853 64.853 65.018 -0.165 19162 2468 1 9 . 1 1 32 32 VAL CB C 32 30.877 30.877 31.789 -0.912 19162 2469 1 9 . 1 1 32 32 VAL H H 32 8.429 8.429 7.780 0.649 19162 2470 1 9 . 1 1 33 33 LYS N N 33 120.548 120.548 119.678 0.870 19162 2471 1 9 . 1 1 33 33 LYS C C 33 177.636 177.636 178.653 -1.017 19162 2472 1 9 . 1 1 33 33 LYS CA C 33 58.851 58.851 60.091 -1.240 19162 2473 1 9 . 1 1 33 33 LYS CB C 33 31.134 31.134 31.693 -0.559 19162 2474 1 9 . 1 1 33 33 LYS H H 33 8.047 8.047 7.541 0.506 19162 2475 1 9 . 1 1 34 34 GLY N N 34 106.701 106.701 105.198 1.503 19162 2476 1 9 . 1 1 34 34 GLY C C 34 174.814 174.814 176.067 -1.253 19162 2477 1 9 . 1 1 34 34 GLY CA C 34 46.019 46.019 46.627 -0.608 19162 2478 1 9 . 1 1 34 34 GLY H H 34 7.938 7.938 7.755 0.183 19162 2479 1 9 . 1 1 35 35 ARG N N 35 118.164 118.164 121.164 -3.000 19162 2480 1 9 . 1 1 35 35 ARG C C 35 176.460 176.460 178.246 -1.786 19162 2481 1 9 . 1 1 35 35 ARG CA C 35 55.954 55.954 58.179 -2.225 19162 2482 1 9 . 1 1 35 35 ARG CB C 35 29.799 29.799 29.881 -0.082 19162 2483 1 9 . 1 1 35 35 ARG H H 35 7.624 7.624 7.190 0.434 19162 2484 1 9 . 1 1 36 36 LEU N N 36 118.897 118.897 119.917 -1.020 19162 2485 1 9 . 1 1 36 36 LEU C C 36 176.539 176.539 178.173 -1.634 19162 2486 1 9 . 1 1 36 36 LEU CA C 36 55.540 55.540 58.312 -2.772 19162 2487 1 9 . 1 1 36 36 LEU CB C 36 42.303 42.303 41.984 0.319 19162 2488 1 9 . 1 1 36 36 LEU H H 36 7.720 7.720 8.266 -0.546 19162 2489 1 9 . 1 1 37 37 VAL N N 37 118.530 118.530 117.817 0.713 19162 2490 1 9 . 1 1 37 37 VAL C C 37 173.804 173.804 175.404 -1.600 19162 2491 1 9 . 1 1 37 37 VAL CA C 37 59.472 59.472 68.122 -8.650 19162 2492 1 9 . 1 1 37 37 VAL CB C 37 31.722 31.722 28.893 2.829 19162 2493 1 9 . 1 1 37 37 VAL H H 37 7.911 7.911 7.583 0.328 19162 2494 1 9 . 1 1 38 38 PRO C C 38 177.636 177.636 177.963 -0.327 19162 2495 1 9 . 1 1 38 38 PRO CA C 38 63.611 63.611 65.163 -1.552 19162 2496 1 9 . 1 1 38 38 PRO CB C 38 31.093 31.093 31.488 -0.395 19162 2497 1 9 . 1 1 39 39 GLY N N 39 109.268 109.268 105.692 3.576 19162 2498 1 9 . 1 1 39 39 GLY C C 39 174.422 174.422 175.152 -0.730 19162 2499 1 9 . 1 1 39 39 GLY CA C 39 45.192 45.192 46.212 -1.020 19162 2500 1 9 . 1 1 39 39 GLY H H 39 8.525 8.525 7.637 0.888 19162 2501 1 9 . 1 1 40 40 ALA N N 40 123.391 123.391 123.476 -0.085 19162 2502 1 9 . 1 1 40 40 ALA C C 40 178.028 178.028 178.195 -0.167 19162 2503 1 9 . 1 1 40 40 ALA CA C 40 52.642 52.642 53.738 -1.096 19162 2504 1 9 . 1 1 40 40 ALA CB C 40 18.804 18.804 19.179 -0.375 19162 2505 1 9 . 1 1 40 40 ALA H H 40 7.965 7.965 7.580 0.385 19162 2506 1 9 . 1 1 41 41 THR N N 41 113.028 113.028 113.276 -0.248 19162 2507 1 9 . 1 1 41 41 THR C C 41 175.363 175.363 173.788 1.575 19162 2508 1 9 . 1 1 41 41 THR CA C 41 62.162 62.162 62.176 -0.014 19162 2509 1 9 . 1 1 41 41 THR CB C 41 69.467 69.467 68.700 0.767 19162 2510 1 9 . 1 1 41 41 THR H H 41 8.115 8.115 7.708 0.407 19162 2511 1 9 . 1 1 42 42 TYR N N 42 121.373 121.373 125.292 -3.919 19162 2512 1 9 . 1 1 42 42 TYR C C 42 176.303 176.303 173.671 2.632 19162 2513 1 9 . 1 1 42 42 TYR CA C 42 59.473 59.473 57.138 2.335 19162 2514 1 9 . 1 1 42 42 TYR CB C 42 37.992 37.992 38.257 -0.265 19162 2515 1 9 . 1 1 42 42 TYR H H 42 8.429 8.429 7.652 0.777 19162 2516 1 9 . 1 1 43 43 LEU N N 43 119.906 119.906 119.743 0.163 19162 2517 1 9 . 1 1 43 43 LEU C C 43 177.405 177.405 176.147 1.258 19162 2518 1 9 . 1 1 43 43 LEU CA C 43 55.540 55.540 53.432 2.108 19162 2519 1 9 . 1 1 43 43 LEU CB C 43 41.455 41.455 44.381 -2.926 19162 2520 1 9 . 1 1 43 43 LEU H H 43 7.899 7.899 8.101 -0.202 19162 2521 1 9 . 1 1 44 44 SER N N 44 115.779 115.779 116.561 -0.782 19162 2522 1 9 . 1 1 44 44 SER C C 44 175.049 175.049 174.440 0.609 19162 2523 1 9 . 1 1 44 44 SER CA C 44 59.058 59.058 57.555 1.503 19162 2524 1 9 . 1 1 44 44 SER CB C 44 63.649 63.649 62.072 1.577 19162 2525 1 9 . 1 1 44 44 SER H H 44 7.979 7.979 8.328 -0.349 19162 2526 1 9 . 1 1 45 45 LEU N N 45 122.199 122.199 125.340 -3.141 19162 2527 1 9 . 1 1 45 45 LEU C C 45 177.322 177.322 178.285 -0.963 19162 2528 1 9 . 1 1 45 45 LEU CA C 45 55.747 55.747 55.947 -0.200 19162 2529 1 9 . 1 1 45 45 LEU CB C 45 41.441 41.441 42.154 -0.713 19162 2530 1 9 . 1 1 45 45 LEU H H 45 8.211 8.211 8.585 -0.374 19162 2531 1 9 . 1 1 46 46 GLY N N 46 105.325 105.325 106.357 -1.032 19162 2532 1 9 . 1 1 46 46 GLY C C 46 174.422 174.422 174.753 -0.331 19162 2533 1 9 . 1 1 46 46 GLY CA C 46 45.812 45.812 45.412 0.400 19162 2534 1 9 . 1 1 46 46 GLY H H 46 8.129 8.129 8.383 -0.254 19162 2535 1 9 . 1 1 47 47 VAL N N 47 117.063 117.063 119.606 -2.543 19162 2536 1 9 . 1 1 47 47 VAL C C 47 177.087 177.087 176.411 0.676 19162 2537 1 9 . 1 1 47 47 VAL CA C 47 62.783 62.783 62.058 0.725 19162 2538 1 9 . 1 1 47 47 VAL CB C 47 31.524 31.524 33.071 -1.547 19162 2539 1 9 . 1 1 47 47 VAL H H 47 7.897 7.897 7.750 0.147 19162 2540 1 9 . 1 1 48 48 TRP N N 48 121.465 121.465 123.855 -2.390 19162 2541 1 9 . 1 1 48 48 TRP C C 48 175.284 175.284 175.182 0.102 19162 2542 1 9 . 1 1 48 48 TRP CA C 48 60.921 60.921 61.211 -0.290 19162 2543 1 9 . 1 1 48 48 TRP CB C 48 27.644 27.644 27.958 -0.314 19162 2544 1 9 . 1 1 48 48 TRP H H 48 7.938 7.938 8.504 -0.566 19162 2545 1 9 . 1 1 49 49 PRO C C 49 177.610 177.610 178.244 -0.634 19162 2546 1 9 . 1 1 49 49 PRO CA C 49 65.888 65.888 64.793 1.095 19162 2547 1 9 . 1 1 49 49 PRO CB C 49 30.599 30.599 31.171 -0.572 19162 2548 1 9 . 1 1 50 50 LEU N N 50 115.596 115.596 119.027 -3.431 19162 2549 1 9 . 1 1 50 50 LEU C C 50 179.125 179.125 179.156 -0.031 19162 2550 1 9 . 1 1 50 50 LEU CA C 50 57.195 57.195 57.590 -0.396 19162 2551 1 9 . 1 1 50 50 LEU CB C 50 40.579 40.579 41.551 -0.972 19162 2552 1 9 . 1 1 50 50 LEU H H 50 7.215 7.215 7.839 -0.624 19162 2553 1 9 . 1 1 51 51 LEU N N 51 119.906 119.906 118.510 1.396 19162 2554 1 9 . 1 1 51 51 LEU C C 51 178.812 178.812 179.099 -0.287 19162 2555 1 9 . 1 1 51 51 LEU CA C 51 57.402 57.402 57.997 -0.595 19162 2556 1 9 . 1 1 51 51 LEU CB C 51 41.027 41.027 40.613 0.414 19162 2557 1 9 . 1 1 51 51 LEU H H 51 7.856 7.856 7.365 0.491 19162 2558 1 9 . 1 1 52 52 LEU N N 52 117.980 117.980 117.646 0.334 19162 2559 1 9 . 1 1 52 52 LEU C C 52 178.655 178.655 179.393 -0.738 19162 2560 1 9 . 1 1 52 52 LEU CA C 52 57.753 57.753 57.402 0.351 19162 2561 1 9 . 1 1 52 52 LEU CB C 52 40.974 40.974 41.040 -0.066 19162 2562 1 9 . 1 1 52 52 LEU H H 52 7.965 7.965 7.355 0.610 19162 2563 1 9 . 1 1 53 53 VAL N N 53 117.063 117.063 117.501 -0.438 19162 2564 1 9 . 1 1 53 53 VAL C C 53 177.636 177.636 177.544 0.092 19162 2565 1 9 . 1 1 53 53 VAL CA C 53 66.302 66.302 65.211 1.091 19162 2566 1 9 . 1 1 53 53 VAL CB C 53 30.877 30.877 30.961 -0.084 19162 2567 1 9 . 1 1 53 53 VAL H H 53 7.774 7.774 7.576 0.198 19162 2568 1 9 . 1 1 54 54 ARG N N 54 118.439 118.439 120.185 -1.746 19162 2569 1 9 . 1 1 54 54 ARG C C 54 178.263 178.263 177.728 0.535 19162 2570 1 9 . 1 1 54 54 ARG CA C 54 58.230 58.230 59.567 -1.337 19162 2571 1 9 . 1 1 54 54 ARG CB C 54 29.368 29.368 30.034 -0.666 19162 2572 1 9 . 1 1 54 54 ARG H H 54 7.665 7.665 8.101 -0.435 19162 2573 1 9 . 1 1 55 55 LEU N N 55 117.888 117.888 117.237 0.651 19162 2574 1 9 . 1 1 55 55 LEU C C 55 177.649 177.649 178.923 -1.274 19162 2575 1 9 . 1 1 55 55 LEU CA C 55 56.521 56.521 57.008 -0.486 19162 2576 1 9 . 1 1 55 55 LEU CB C 55 42.097 42.097 42.087 0.010 19162 2577 1 9 . 1 1 55 55 LEU H H 55 7.789 7.789 7.464 0.325 19162 2578 1 9 . 1 1 56 56 LEU N N 56 116.146 116.146 118.735 -2.589 19162 2579 1 9 . 1 1 56 56 LEU C C 56 176.930 176.930 178.229 -1.299 19162 2580 1 9 . 1 1 56 56 LEU CA C 56 55.333 55.333 57.110 -1.777 19162 2581 1 9 . 1 1 56 56 LEU CB C 56 41.990 41.990 42.053 -0.063 19162 2582 1 9 . 1 1 56 56 LEU H H 56 7.693 7.693 7.377 0.316 19162 2583 1 9 . 1 1 57 57 ARG N N 57 118.897 118.897 119.521 -0.624 19162 2584 1 9 . 1 1 57 57 ARG C C 57 173.795 173.795 176.160 -2.365 19162 2585 1 9 . 1 1 57 57 ARG CA C 57 54.919 54.919 60.518 -5.599 19162 2586 1 9 . 1 1 57 57 ARG CB C 57 29.153 29.153 28.602 0.551 19162 2587 1 9 . 1 1 57 57 ARG H H 57 7.856 7.856 8.412 -0.556 19162 2588 1 9 . 1 1 58 58 PRO C C 58 177.009 177.009 177.609 -0.600 19162 2589 1 9 . 1 1 58 58 PRO CA C 58 63.611 63.611 64.404 -0.793 19162 2590 1 9 . 1 1 58 58 PRO CB C 58 31.027 31.027 31.651 -0.624 19162 2591 1 9 . 1 1 59 59 HIS N N 59 119.264 119.264 114.847 4.417 19162 2592 1 9 . 1 1 59 59 HIS C C 59 175.520 175.520 175.119 0.401 19162 2593 1 9 . 1 1 59 59 HIS CA C 59 56.574 56.574 58.154 -1.580 19162 2594 1 9 . 1 1 59 59 HIS CB C 59 30.446 30.446 28.815 1.631 19162 2595 1 9 . 1 1 59 59 HIS H H 59 8.375 8.375 7.926 0.449 19162 2596 1 9 . 1 1 60 60 ARG N N 60 122.382 122.382 121.412 0.970 19162 2597 1 9 . 1 1 60 60 ARG C C 60 175.598 175.598 174.278 1.320 19162 2598 1 9 . 1 1 60 60 ARG CA C 60 55.751 55.751 56.139 -0.388 19162 2599 1 9 . 1 1 60 60 ARG CB C 60 30.064 30.064 29.891 0.173 19162 2600 1 9 . 1 1 60 60 ARG H H 60 7.980 7.980 8.229 -0.249 19162 2601 1 9 . 1 1 61 61 ALA N N 61 125.041 125.041 126.169 -1.128 19162 2602 1 9 . 1 1 61 61 ALA C C 61 177.401 177.401 177.976 -0.575 19162 2603 1 9 . 1 1 61 61 ALA CA C 61 52.228 52.228 51.792 0.436 19162 2604 1 9 . 1 1 61 61 ALA CB C 61 18.804 18.804 19.707 -0.903 19162 2605 1 9 . 1 1 61 61 ALA H H 61 8.320 8.320 8.474 -0.154 19162 2606 1 9 . 1 1 62 62 LEU N N 62 121.281 121.281 116.678 4.603 19162 2607 1 9 . 1 1 62 62 LEU C C 62 175.911 175.911 175.857 0.054 19162 2608 1 9 . 1 1 62 62 LEU CA C 62 54.919 54.919 54.729 0.190 19162 2609 1 9 . 1 1 62 62 LEU CB C 62 41.657 41.657 41.353 0.304 19162 2610 1 9 . 1 1 62 62 LEU H H 62 8.115 8.115 8.719 -0.604 19162 2611 1 10 . 1 1 2 2 ALA C C 2 178.255 178.255 176.987 1.268 19162 2612 1 10 . 1 1 2 2 ALA CA C 2 53.263 53.263 52.350 0.913 19162 2613 1 10 . 1 1 2 2 ALA CB C 2 18.411 18.411 19.347 -0.936 19162 2614 1 10 . 1 1 3 3 LYS N N 3 119.081 119.081 119.987 -0.906 19162 2615 1 10 . 1 1 3 3 LYS C C 3 176.752 176.752 175.758 0.994 19162 2616 1 10 . 1 1 3 3 LYS CA C 3 57.816 57.816 58.230 -0.414 19162 2617 1 10 . 1 1 3 3 LYS CB C 3 31.751 31.751 30.859 0.892 19162 2618 1 10 . 1 1 3 3 LYS H H 3 8.607 8.607 8.931 -0.324 19162 2619 1 10 . 1 1 4 4 ASN N N 4 118.255 118.255 114.263 3.992 19162 2620 1 10 . 1 1 4 4 ASN C C 4 176.029 176.029 176.501 -0.472 19162 2621 1 10 . 1 1 4 4 ASN CA C 4 54.712 54.712 53.550 1.162 19162 2622 1 10 . 1 1 4 4 ASN CB C 4 38.244 38.244 38.386 -0.142 19162 2623 1 10 . 1 1 4 4 ASN H H 4 8.185 8.185 8.183 0.002 19162 2624 1 10 . 1 1 5 5 VAL N N 5 119.998 119.998 121.477 -1.479 19162 2625 1 10 . 1 1 5 5 VAL C C 5 177.259 177.259 177.901 -0.642 19162 2626 1 10 . 1 1 5 5 VAL CA C 5 64.232 64.232 65.986 -1.754 19162 2627 1 10 . 1 1 5 5 VAL CB C 5 31.524 31.524 31.112 0.412 19162 2628 1 10 . 1 1 5 5 VAL H H 5 7.857 7.857 8.086 -0.229 19162 2629 1 10 . 1 1 6 6 ILE N N 6 122.474 122.474 118.934 3.540 19162 2630 1 10 . 1 1 6 6 ILE C C 6 177.009 177.009 178.094 -1.085 19162 2631 1 10 . 1 1 6 6 ILE CA C 6 63.400 63.400 64.466 -1.066 19162 2632 1 10 . 1 1 6 6 ILE CB C 6 37.177 37.177 37.590 -0.414 19162 2633 1 10 . 1 1 6 6 ILE H H 6 8.062 8.062 8.130 -0.068 19162 2634 1 10 . 1 1 7 7 VAL N N 7 120.915 120.915 119.123 1.792 19162 2635 1 10 . 1 1 7 7 VAL C C 7 177.009 177.009 178.151 -1.142 19162 2636 1 10 . 1 1 7 7 VAL CA C 7 65.017 65.017 65.951 -0.934 19162 2637 1 10 . 1 1 7 7 VAL CB C 7 31.309 31.309 31.053 0.256 19162 2638 1 10 . 1 1 7 7 VAL H H 7 7.993 7.993 7.501 0.492 19162 2639 1 10 . 1 1 8 8 LEU N N 8 121.098 121.098 120.326 0.772 19162 2640 1 10 . 1 1 8 8 LEU C C 8 178.655 178.655 178.720 -0.065 19162 2641 1 10 . 1 1 8 8 LEU CA C 8 56.781 56.781 58.650 -1.869 19162 2642 1 10 . 1 1 8 8 LEU CB C 8 41.010 41.010 41.305 -0.295 19162 2643 1 10 . 1 1 8 8 LEU H H 8 8.061 8.061 7.776 0.285 19162 2644 1 10 . 1 1 9 9 ASN N N 9 118.347 118.347 117.174 1.173 19162 2645 1 10 . 1 1 9 9 ASN C C 9 176.695 176.695 177.108 -0.413 19162 2646 1 10 . 1 1 9 9 ASN CA C 9 54.919 54.919 56.225 -1.306 19162 2647 1 10 . 1 1 9 9 ASN CB C 9 38.674 38.674 38.161 0.513 19162 2648 1 10 . 1 1 9 9 ASN H H 9 8.102 8.102 7.584 0.518 19162 2649 1 10 . 1 1 10 10 ALA N N 10 124.124 124.124 122.096 2.028 19162 2650 1 10 . 1 1 10 10 ALA C C 10 178.263 178.263 179.201 -0.938 19162 2651 1 10 . 1 1 10 10 ALA CA C 10 54.505 54.505 55.059 -0.554 19162 2652 1 10 . 1 1 10 10 ALA CB C 10 17.942 17.942 18.363 -0.420 19162 2653 1 10 . 1 1 10 10 ALA H H 10 8.388 8.388 7.578 0.810 19162 2654 1 10 . 1 1 11 11 ALA N N 11 119.814 119.814 119.762 0.052 19162 2655 1 10 . 1 1 11 11 ALA C C 11 179.204 179.204 179.364 -0.160 19162 2656 1 10 . 1 1 11 11 ALA CA C 11 54.298 54.298 55.254 -0.956 19162 2657 1 10 . 1 1 11 11 ALA CB C 11 17.942 17.942 18.095 -0.153 19162 2658 1 10 . 1 1 11 11 ALA H H 11 8.279 8.279 7.953 0.326 19162 2659 1 10 . 1 1 12 12 SER N N 12 113.303 113.303 114.559 -1.256 19162 2660 1 10 . 1 1 12 12 SER C C 12 175.873 175.873 176.603 -0.730 19162 2661 1 10 . 1 1 12 12 SER CA C 12 60.140 60.140 61.131 -0.991 19162 2662 1 10 . 1 1 12 12 SER CB C 12 63.221 63.221 62.867 0.354 19162 2663 1 10 . 1 1 12 12 SER H H 12 7.952 7.952 7.408 0.544 19162 2664 1 10 . 1 1 13 13 ALA N N 13 124.308 124.308 123.612 0.696 19162 2665 1 10 . 1 1 13 13 ALA C C 13 178.420 178.420 179.242 -0.822 19162 2666 1 10 . 1 1 13 13 ALA CA C 13 53.470 53.470 54.682 -1.212 19162 2667 1 10 . 1 1 13 13 ALA CB C 13 18.373 18.373 18.024 0.349 19162 2668 1 10 . 1 1 13 13 ALA H H 13 7.924 7.924 7.576 0.348 19162 2669 1 10 . 1 1 14 14 ALA N N 14 119.998 119.998 120.990 -0.992 19162 2670 1 10 . 1 1 14 14 ALA C C 14 178.420 178.420 179.608 -1.188 19162 2671 1 10 . 1 1 14 14 ALA CA C 14 53.263 53.263 54.507 -1.244 19162 2672 1 10 . 1 1 14 14 ALA CB C 14 18.373 18.373 18.594 -0.221 19162 2673 1 10 . 1 1 14 14 ALA H H 14 7.965 7.965 7.596 0.369 19162 2674 1 10 . 1 1 15 15 GLY N N 15 105.417 105.417 107.058 -1.641 19162 2675 1 10 . 1 1 15 15 GLY C C 15 174.422 174.422 176.068 -1.646 19162 2676 1 10 . 1 1 15 15 GLY CA C 15 45.605 45.605 46.483 -0.878 19162 2677 1 10 . 1 1 15 15 GLY H H 15 8.020 8.020 7.831 0.189 19162 2678 1 10 . 1 1 16 16 ASN N N 16 118.989 118.989 118.215 0.774 19162 2679 1 10 . 1 1 16 16 ASN C C 16 175.598 175.598 176.058 -0.460 19162 2680 1 10 . 1 1 16 16 ASN CA C 16 53.677 53.677 54.198 -0.521 19162 2681 1 10 . 1 1 16 16 ASN CB C 16 38.621 38.621 38.118 0.503 19162 2682 1 10 . 1 1 16 16 ASN H H 16 8.156 8.156 7.590 0.566 19162 2683 1 10 . 1 1 17 17 HIS N N 17 119.081 119.081 121.622 -2.541 19162 2684 1 10 . 1 1 17 17 HIS C C 17 176.068 176.068 174.935 1.133 19162 2685 1 10 . 1 1 17 17 HIS CA C 17 56.781 56.781 57.458 -0.677 19162 2686 1 10 . 1 1 17 17 HIS CB C 17 29.942 29.942 28.137 1.805 19162 2687 1 10 . 1 1 17 17 HIS H H 17 8.322 8.322 7.535 0.787 19162 2688 1 10 . 1 1 18 18 GLY N N 18 109.543 109.543 113.027 -3.484 19162 2689 1 10 . 1 1 18 18 GLY C C 18 175.206 175.206 174.366 0.840 19162 2690 1 10 . 1 1 18 18 GLY CA C 18 47.054 47.054 45.122 1.932 19162 2691 1 10 . 1 1 18 18 GLY H H 18 8.607 8.607 7.911 0.696 19162 2692 1 10 . 1 1 19 19 PHE N N 19 120.640 120.640 125.323 -4.683 19162 2693 1 10 . 1 1 19 19 PHE C C 19 176.695 176.695 176.111 0.584 19162 2694 1 10 . 1 1 19 19 PHE CA C 19 60.507 60.507 60.318 0.189 19162 2695 1 10 . 1 1 19 19 PHE CB C 19 38.638 38.638 39.024 -0.386 19162 2696 1 10 . 1 1 19 19 PHE H H 19 8.716 8.716 8.892 -0.176 19162 2697 1 10 . 1 1 20 20 PHE N N 20 118.989 118.989 117.292 1.697 19162 2698 1 10 . 1 1 20 20 PHE C C 20 176.617 176.617 177.847 -1.230 19162 2699 1 10 . 1 1 20 20 PHE CA C 20 61.334 61.334 61.291 0.043 19162 2700 1 10 . 1 1 20 20 PHE CB C 20 38.460 38.460 38.158 0.302 19162 2701 1 10 . 1 1 20 20 PHE H H 20 8.143 8.143 7.914 0.229 19162 2702 1 10 . 1 1 21 21 TRP N N 21 118.897 118.897 120.775 -1.878 19162 2703 1 10 . 1 1 21 21 TRP C C 21 178.577 178.577 178.415 0.162 19162 2704 1 10 . 1 1 21 21 TRP CA C 21 59.691 59.691 60.925 -1.234 19162 2705 1 10 . 1 1 21 21 TRP CB C 21 29.636 29.636 29.789 -0.153 19162 2706 1 10 . 1 1 21 21 TRP H H 21 7.911 7.911 8.875 -0.964 19162 2707 1 10 . 1 1 22 22 GLY N N 22 105.692 105.692 106.780 -1.088 19162 2708 1 10 . 1 1 22 22 GLY C C 22 174.657 174.657 175.752 -1.095 19162 2709 1 10 . 1 1 22 22 GLY CA C 22 47.261 47.261 47.088 0.173 19162 2710 1 10 . 1 1 22 22 GLY H H 22 8.306 8.306 7.699 0.607 19162 2711 1 10 . 1 1 23 23 LEU N N 23 121.557 121.557 121.605 -0.048 19162 2712 1 10 . 1 1 23 23 LEU C C 23 179.752 179.752 178.574 1.178 19162 2713 1 10 . 1 1 23 23 LEU CA C 23 57.402 57.402 57.452 -0.050 19162 2714 1 10 . 1 1 23 23 LEU CB C 23 40.579 40.579 41.950 -1.371 19162 2715 1 10 . 1 1 23 23 LEU H H 23 7.993 7.993 7.436 0.557 19162 2716 1 10 . 1 1 24 24 LEU N N 24 122.382 122.382 119.951 2.431 19162 2717 1 10 . 1 1 24 24 LEU C C 24 178.185 178.185 179.240 -1.055 19162 2718 1 10 . 1 1 24 24 LEU CA C 24 58.437 58.437 57.402 1.035 19162 2719 1 10 . 1 1 24 24 LEU CB C 24 40.439 40.439 40.142 0.297 19162 2720 1 10 . 1 1 24 24 LEU H H 24 8.047 8.047 7.122 0.925 19162 2721 1 10 . 1 1 25 25 VAL N N 25 118.255 118.255 118.988 -0.733 19162 2722 1 10 . 1 1 25 25 VAL C C 25 177.636 177.636 177.941 -0.305 19162 2723 1 10 . 1 1 25 25 VAL CA C 25 67.129 67.129 65.695 1.434 19162 2724 1 10 . 1 1 25 25 VAL CB C 25 30.813 30.813 31.774 -0.961 19162 2725 1 10 . 1 1 25 25 VAL H H 25 8.102 8.102 7.146 0.956 19162 2726 1 10 . 1 1 26 26 VAL N N 26 118.072 118.072 118.709 -0.637 19162 2727 1 10 . 1 1 26 26 VAL C C 26 177.322 177.322 178.197 -0.875 19162 2728 1 10 . 1 1 26 26 VAL CA C 26 66.686 66.686 66.772 -0.086 19162 2729 1 10 . 1 1 26 26 VAL CB C 26 30.653 30.653 30.903 -0.250 19162 2730 1 10 . 1 1 26 26 VAL H H 26 8.088 8.088 7.546 0.542 19162 2731 1 10 . 1 1 27 27 THR N N 27 116.788 116.788 115.103 1.685 19162 2732 1 10 . 1 1 27 27 THR C C 27 177.322 177.322 176.810 0.512 19162 2733 1 10 . 1 1 27 27 THR CA C 27 67.750 67.750 65.848 1.902 19162 2734 1 10 . 1 1 27 27 THR H H 27 8.047 8.047 7.995 0.052 19162 2735 1 10 . 1 1 28 28 LEU N N 28 122.932 122.932 122.739 0.193 19162 2736 1 10 . 1 1 28 28 LEU C C 28 178.499 178.499 178.393 0.106 19162 2737 1 10 . 1 1 28 28 LEU CA C 28 58.230 58.230 57.300 0.930 19162 2738 1 10 . 1 1 28 28 LEU CB C 28 40.794 40.794 40.615 0.179 19162 2739 1 10 . 1 1 28 28 LEU H H 28 8.429 8.429 7.801 0.628 19162 2740 1 10 . 1 1 29 29 ALA N N 29 121.190 121.190 121.975 -0.785 19162 2741 1 10 . 1 1 29 29 ALA C C 29 178.890 178.890 179.466 -0.576 19162 2742 1 10 . 1 1 29 29 ALA CA C 29 55.333 55.333 54.889 0.444 19162 2743 1 10 . 1 1 29 29 ALA CB C 29 17.727 17.727 18.264 -0.537 19162 2744 1 10 . 1 1 29 29 ALA H H 29 8.607 8.607 7.661 0.946 19162 2745 1 10 . 1 1 30 30 TRP N N 30 118.622 118.622 119.048 -0.426 19162 2746 1 10 . 1 1 30 30 TRP C C 30 178.420 178.420 179.035 -0.615 19162 2747 1 10 . 1 1 30 30 TRP CA C 30 60.300 60.300 60.775 -0.475 19162 2748 1 10 . 1 1 30 30 TRP CB C 30 28.937 28.937 29.632 -0.695 19162 2749 1 10 . 1 1 30 30 TRP H H 30 8.538 8.538 7.921 0.617 19162 2750 1 10 . 1 1 31 31 HIS N N 31 117.888 117.888 120.309 -2.421 19162 2751 1 10 . 1 1 31 31 HIS C C 31 177.949 177.949 177.618 0.331 19162 2752 1 10 . 1 1 31 31 HIS CA C 31 59.886 59.886 60.218 -0.332 19162 2753 1 10 . 1 1 31 31 HIS CB C 31 30.015 30.015 30.089 -0.074 19162 2754 1 10 . 1 1 31 31 HIS H H 31 8.238 8.238 8.182 0.056 19162 2755 1 10 . 1 1 32 32 VAL N N 32 116.788 116.788 115.940 0.848 19162 2756 1 10 . 1 1 32 32 VAL C C 32 177.401 177.401 177.111 0.290 19162 2757 1 10 . 1 1 32 32 VAL CA C 32 64.853 64.853 64.240 0.613 19162 2758 1 10 . 1 1 32 32 VAL CB C 32 30.877 30.877 30.421 0.456 19162 2759 1 10 . 1 1 32 32 VAL H H 32 8.429 8.429 7.771 0.658 19162 2760 1 10 . 1 1 33 33 LYS N N 33 120.548 120.548 121.616 -1.068 19162 2761 1 10 . 1 1 33 33 LYS C C 33 177.636 177.636 178.662 -1.026 19162 2762 1 10 . 1 1 33 33 LYS CA C 33 58.851 58.851 59.899 -1.048 19162 2763 1 10 . 1 1 33 33 LYS CB C 33 31.134 31.134 31.853 -0.719 19162 2764 1 10 . 1 1 33 33 LYS H H 33 8.047 8.047 7.675 0.372 19162 2765 1 10 . 1 1 34 34 GLY N N 34 106.701 106.701 104.804 1.897 19162 2766 1 10 . 1 1 34 34 GLY C C 34 174.814 174.814 176.466 -1.652 19162 2767 1 10 . 1 1 34 34 GLY CA C 34 46.019 46.019 46.642 -0.622 19162 2768 1 10 . 1 1 34 34 GLY H H 34 7.938 7.938 7.772 0.166 19162 2769 1 10 . 1 1 35 35 ARG N N 35 118.164 118.164 121.475 -3.311 19162 2770 1 10 . 1 1 35 35 ARG C C 35 176.460 176.460 178.341 -1.881 19162 2771 1 10 . 1 1 35 35 ARG CA C 35 55.954 55.954 58.633 -2.679 19162 2772 1 10 . 1 1 35 35 ARG CB C 35 29.799 29.799 29.860 -0.061 19162 2773 1 10 . 1 1 35 35 ARG H H 35 7.624 7.624 7.527 0.097 19162 2774 1 10 . 1 1 36 36 LEU N N 36 118.897 118.897 119.781 -0.884 19162 2775 1 10 . 1 1 36 36 LEU C C 36 176.539 176.539 178.359 -1.820 19162 2776 1 10 . 1 1 36 36 LEU CA C 36 55.540 55.540 57.889 -2.349 19162 2777 1 10 . 1 1 36 36 LEU CB C 36 42.303 42.303 41.966 0.337 19162 2778 1 10 . 1 1 36 36 LEU H H 36 7.720 7.720 8.044 -0.324 19162 2779 1 10 . 1 1 37 37 VAL N N 37 118.530 118.530 117.589 0.941 19162 2780 1 10 . 1 1 37 37 VAL C C 37 173.804 173.804 175.693 -1.889 19162 2781 1 10 . 1 1 37 37 VAL CA C 37 59.472 59.472 67.052 -7.580 19162 2782 1 10 . 1 1 37 37 VAL CB C 37 31.722 31.722 28.348 3.374 19162 2783 1 10 . 1 1 37 37 VAL H H 37 7.911 7.911 7.499 0.412 19162 2784 1 10 . 1 1 38 38 PRO C C 38 177.636 177.636 178.050 -0.414 19162 2785 1 10 . 1 1 38 38 PRO CA C 38 63.611 63.611 65.024 -1.413 19162 2786 1 10 . 1 1 38 38 PRO CB C 38 31.093 31.093 31.417 -0.324 19162 2787 1 10 . 1 1 39 39 GLY N N 39 109.268 109.268 105.951 3.317 19162 2788 1 10 . 1 1 39 39 GLY C C 39 174.422 174.422 175.190 -0.768 19162 2789 1 10 . 1 1 39 39 GLY CA C 39 45.192 45.192 46.241 -1.049 19162 2790 1 10 . 1 1 39 39 GLY H H 39 8.525 8.525 7.589 0.936 19162 2791 1 10 . 1 1 40 40 ALA N N 40 123.391 123.391 122.807 0.584 19162 2792 1 10 . 1 1 40 40 ALA C C 40 178.028 178.028 177.749 0.279 19162 2793 1 10 . 1 1 40 40 ALA CA C 40 52.642 52.642 53.782 -1.140 19162 2794 1 10 . 1 1 40 40 ALA CB C 40 18.804 18.804 19.131 -0.327 19162 2795 1 10 . 1 1 40 40 ALA H H 40 7.965 7.965 7.452 0.513 19162 2796 1 10 . 1 1 41 41 THR N N 41 113.028 113.028 111.616 1.412 19162 2797 1 10 . 1 1 41 41 THR C C 41 175.363 175.363 173.812 1.551 19162 2798 1 10 . 1 1 41 41 THR CA C 41 62.162 62.162 61.608 0.554 19162 2799 1 10 . 1 1 41 41 THR CB C 41 69.467 69.467 69.103 0.364 19162 2800 1 10 . 1 1 41 41 THR H H 41 8.115 8.115 7.534 0.581 19162 2801 1 10 . 1 1 42 42 TYR N N 42 121.373 121.373 125.595 -4.222 19162 2802 1 10 . 1 1 42 42 TYR C C 42 176.303 176.303 173.668 2.635 19162 2803 1 10 . 1 1 42 42 TYR CA C 42 59.473 59.473 57.105 2.369 19162 2804 1 10 . 1 1 42 42 TYR CB C 42 37.992 37.992 38.476 -0.484 19162 2805 1 10 . 1 1 42 42 TYR H H 42 8.429 8.429 7.645 0.784 19162 2806 1 10 . 1 1 43 43 LEU N N 43 119.906 119.906 120.404 -0.498 19162 2807 1 10 . 1 1 43 43 LEU C C 43 177.405 177.405 176.598 0.807 19162 2808 1 10 . 1 1 43 43 LEU CA C 43 55.540 55.540 53.263 2.277 19162 2809 1 10 . 1 1 43 43 LEU CB C 43 41.455 41.455 44.262 -2.807 19162 2810 1 10 . 1 1 43 43 LEU H H 43 7.899 7.899 8.163 -0.264 19162 2811 1 10 . 1 1 44 44 SER N N 44 115.779 115.779 116.468 -0.689 19162 2812 1 10 . 1 1 44 44 SER C C 44 175.049 175.049 174.206 0.843 19162 2813 1 10 . 1 1 44 44 SER CA C 44 59.058 59.058 57.620 1.438 19162 2814 1 10 . 1 1 44 44 SER CB C 44 63.649 63.649 62.218 1.431 19162 2815 1 10 . 1 1 44 44 SER H H 44 7.979 7.979 8.392 -0.413 19162 2816 1 10 . 1 1 45 45 LEU N N 45 122.199 122.199 125.279 -3.080 19162 2817 1 10 . 1 1 45 45 LEU C C 45 177.322 177.322 178.705 -1.383 19162 2818 1 10 . 1 1 45 45 LEU CA C 45 55.747 55.747 55.883 -0.136 19162 2819 1 10 . 1 1 45 45 LEU CB C 45 41.441 41.441 42.292 -0.851 19162 2820 1 10 . 1 1 45 45 LEU H H 45 8.211 8.211 8.263 -0.052 19162 2821 1 10 . 1 1 46 46 GLY N N 46 105.325 105.325 106.499 -1.174 19162 2822 1 10 . 1 1 46 46 GLY C C 46 174.422 174.422 175.093 -0.671 19162 2823 1 10 . 1 1 46 46 GLY CA C 46 45.812 45.812 45.583 0.229 19162 2824 1 10 . 1 1 46 46 GLY H H 46 8.129 8.129 8.506 -0.377 19162 2825 1 10 . 1 1 47 47 VAL N N 47 117.063 117.063 114.824 2.239 19162 2826 1 10 . 1 1 47 47 VAL C C 47 177.087 177.087 176.267 0.820 19162 2827 1 10 . 1 1 47 47 VAL CA C 47 62.783 62.783 61.867 0.916 19162 2828 1 10 . 1 1 47 47 VAL CB C 47 31.524 31.524 32.897 -1.373 19162 2829 1 10 . 1 1 47 47 VAL H H 47 7.897 7.897 7.742 0.155 19162 2830 1 10 . 1 1 48 48 TRP N N 48 121.465 121.465 124.904 -3.439 19162 2831 1 10 . 1 1 48 48 TRP C C 48 175.284 175.284 175.170 0.114 19162 2832 1 10 . 1 1 48 48 TRP CA C 48 60.921 60.921 60.967 -0.046 19162 2833 1 10 . 1 1 48 48 TRP CB C 48 27.644 27.644 27.787 -0.143 19162 2834 1 10 . 1 1 48 48 TRP H H 48 7.938 7.938 8.553 -0.615 19162 2835 1 10 . 1 1 49 49 PRO C C 49 177.610 177.610 178.363 -0.753 19162 2836 1 10 . 1 1 49 49 PRO CA C 49 65.888 65.888 64.512 1.376 19162 2837 1 10 . 1 1 49 49 PRO CB C 49 30.599 30.599 31.038 -0.439 19162 2838 1 10 . 1 1 50 50 LEU N N 50 115.596 115.596 118.786 -3.190 19162 2839 1 10 . 1 1 50 50 LEU C C 50 179.125 179.125 178.966 0.159 19162 2840 1 10 . 1 1 50 50 LEU CA C 50 57.195 57.195 57.308 -0.113 19162 2841 1 10 . 1 1 50 50 LEU CB C 50 40.579 40.579 41.586 -1.007 19162 2842 1 10 . 1 1 50 50 LEU H H 50 7.215 7.215 7.713 -0.498 19162 2843 1 10 . 1 1 51 51 LEU N N 51 119.906 119.906 118.280 1.626 19162 2844 1 10 . 1 1 51 51 LEU C C 51 178.812 178.812 179.511 -0.699 19162 2845 1 10 . 1 1 51 51 LEU CA C 51 57.402 57.402 57.633 -0.231 19162 2846 1 10 . 1 1 51 51 LEU CB C 51 41.027 41.027 41.383 -0.356 19162 2847 1 10 . 1 1 51 51 LEU H H 51 7.856 7.856 7.402 0.454 19162 2848 1 10 . 1 1 52 52 LEU N N 52 117.980 117.980 117.769 0.211 19162 2849 1 10 . 1 1 52 52 LEU C C 52 178.655 178.655 179.007 -0.352 19162 2850 1 10 . 1 1 52 52 LEU CA C 52 57.753 57.753 57.315 0.438 19162 2851 1 10 . 1 1 52 52 LEU CB C 52 40.974 40.974 40.592 0.382 19162 2852 1 10 . 1 1 52 52 LEU H H 52 7.965 7.965 7.583 0.382 19162 2853 1 10 . 1 1 53 53 VAL N N 53 117.063 117.063 116.418 0.645 19162 2854 1 10 . 1 1 53 53 VAL C C 53 177.636 177.636 177.365 0.271 19162 2855 1 10 . 1 1 53 53 VAL CA C 53 66.302 66.302 65.336 0.966 19162 2856 1 10 . 1 1 53 53 VAL CB C 53 30.877 30.877 30.912 -0.035 19162 2857 1 10 . 1 1 53 53 VAL H H 53 7.774 7.774 7.653 0.121 19162 2858 1 10 . 1 1 54 54 ARG N N 54 118.439 118.439 120.318 -1.879 19162 2859 1 10 . 1 1 54 54 ARG C C 54 178.263 178.263 177.854 0.409 19162 2860 1 10 . 1 1 54 54 ARG CA C 54 58.230 58.230 59.276 -1.046 19162 2861 1 10 . 1 1 54 54 ARG CB C 54 29.368 29.368 29.953 -0.585 19162 2862 1 10 . 1 1 54 54 ARG H H 54 7.665 7.665 7.661 0.004 19162 2863 1 10 . 1 1 55 55 LEU N N 55 117.888 117.888 118.701 -0.813 19162 2864 1 10 . 1 1 55 55 LEU C C 55 177.649 177.649 178.417 -0.768 19162 2865 1 10 . 1 1 55 55 LEU CA C 55 56.521 56.521 57.371 -0.850 19162 2866 1 10 . 1 1 55 55 LEU CB C 55 42.097 42.097 41.991 0.106 19162 2867 1 10 . 1 1 55 55 LEU H H 55 7.789 7.789 7.545 0.244 19162 2868 1 10 . 1 1 56 56 LEU N N 56 116.146 116.146 118.394 -2.248 19162 2869 1 10 . 1 1 56 56 LEU C C 56 176.930 176.930 179.055 -2.125 19162 2870 1 10 . 1 1 56 56 LEU CA C 56 55.333 55.333 57.465 -2.132 19162 2871 1 10 . 1 1 56 56 LEU CB C 56 41.990 41.990 41.601 0.389 19162 2872 1 10 . 1 1 56 56 LEU H H 56 7.693 7.693 7.504 0.189 19162 2873 1 10 . 1 1 57 57 ARG N N 57 118.897 118.897 120.311 -1.414 19162 2874 1 10 . 1 1 57 57 ARG C C 57 173.795 173.795 175.972 -2.177 19162 2875 1 10 . 1 1 57 57 ARG CA C 57 54.919 54.919 59.896 -4.977 19162 2876 1 10 . 1 1 57 57 ARG CB C 57 29.153 29.153 28.882 0.271 19162 2877 1 10 . 1 1 57 57 ARG H H 57 7.856 7.856 8.123 -0.267 19162 2878 1 10 . 1 1 58 58 PRO C C 58 177.009 177.009 176.911 0.098 19162 2879 1 10 . 1 1 58 58 PRO CA C 58 63.611 63.611 63.477 0.134 19162 2880 1 10 . 1 1 58 58 PRO CB C 58 31.027 31.027 31.722 -0.695 19162 2881 1 10 . 1 1 59 59 HIS N N 59 119.264 119.264 116.093 3.171 19162 2882 1 10 . 1 1 59 59 HIS C C 59 175.520 175.520 174.957 0.563 19162 2883 1 10 . 1 1 59 59 HIS CA C 59 56.574 56.574 57.471 -0.897 19162 2884 1 10 . 1 1 59 59 HIS CB C 59 30.446 30.446 30.108 0.338 19162 2885 1 10 . 1 1 59 59 HIS H H 59 8.375 8.375 8.223 0.152 19162 2886 1 10 . 1 1 60 60 ARG N N 60 122.382 122.382 118.734 3.648 19162 2887 1 10 . 1 1 60 60 ARG C C 60 175.598 175.598 175.395 0.203 19162 2888 1 10 . 1 1 60 60 ARG CA C 60 55.751 55.751 56.448 -0.697 19162 2889 1 10 . 1 1 60 60 ARG CB C 60 30.064 30.064 31.360 -1.296 19162 2890 1 10 . 1 1 60 60 ARG H H 60 7.980 7.980 8.285 -0.305 19162 2891 1 10 . 1 1 61 61 ALA N N 61 125.041 125.041 123.531 1.510 19162 2892 1 10 . 1 1 61 61 ALA C C 61 177.401 177.401 176.455 0.946 19162 2893 1 10 . 1 1 61 61 ALA CA C 61 52.228 52.228 52.788 -0.559 19162 2894 1 10 . 1 1 61 61 ALA CB C 61 18.804 18.804 18.014 0.790 19162 2895 1 10 . 1 1 61 61 ALA H H 61 8.320 8.320 8.284 0.036 19162 2896 1 10 . 1 1 62 62 LEU N N 62 121.281 121.281 119.102 2.179 19162 2897 1 10 . 1 1 62 62 LEU C C 62 175.911 175.911 177.084 -1.173 19162 2898 1 10 . 1 1 62 62 LEU CA C 62 54.919 54.919 55.834 -0.915 19162 2899 1 10 . 1 1 62 62 LEU CB C 62 41.657 41.657 42.990 -1.333 19162 2900 1 10 . 1 1 62 62 LEU H H 62 8.115 8.115 8.357 -0.242 19162 2901 1 11 . 1 1 2 2 ALA C C 2 178.255 178.255 176.600 1.655 19162 2902 1 11 . 1 1 2 2 ALA CA C 2 53.263 53.263 52.613 0.650 19162 2903 1 11 . 1 1 2 2 ALA CB C 2 18.411 18.411 18.161 0.250 19162 2904 1 11 . 1 1 3 3 LYS N N 3 119.081 119.081 119.401 -0.320 19162 2905 1 11 . 1 1 3 3 LYS C C 3 176.752 176.752 177.375 -0.623 19162 2906 1 11 . 1 1 3 3 LYS CA C 3 57.816 57.816 57.383 0.433 19162 2907 1 11 . 1 1 3 3 LYS CB C 3 31.751 31.751 33.116 -1.365 19162 2908 1 11 . 1 1 3 3 LYS H H 3 8.607 8.607 8.640 -0.033 19162 2909 1 11 . 1 1 4 4 ASN N N 4 118.255 118.255 120.426 -2.171 19162 2910 1 11 . 1 1 4 4 ASN C C 4 176.029 176.029 177.646 -1.617 19162 2911 1 11 . 1 1 4 4 ASN CA C 4 54.712 54.712 56.808 -2.096 19162 2912 1 11 . 1 1 4 4 ASN CB C 4 38.244 38.244 38.263 -0.019 19162 2913 1 11 . 1 1 4 4 ASN H H 4 8.185 8.185 8.005 0.180 19162 2914 1 11 . 1 1 5 5 VAL N N 5 119.998 119.998 119.825 0.173 19162 2915 1 11 . 1 1 5 5 VAL C C 5 177.259 177.259 177.459 -0.200 19162 2916 1 11 . 1 1 5 5 VAL CA C 5 64.232 64.232 66.431 -2.199 19162 2917 1 11 . 1 1 5 5 VAL CB C 5 31.524 31.524 31.493 0.031 19162 2918 1 11 . 1 1 5 5 VAL H H 5 7.857 7.857 7.511 0.346 19162 2919 1 11 . 1 1 6 6 ILE N N 6 122.474 122.474 119.327 3.147 19162 2920 1 11 . 1 1 6 6 ILE C C 6 177.009 177.009 178.166 -1.157 19162 2921 1 11 . 1 1 6 6 ILE CA C 6 63.400 63.400 64.623 -1.222 19162 2922 1 11 . 1 1 6 6 ILE CB C 6 37.177 37.177 37.283 -0.106 19162 2923 1 11 . 1 1 6 6 ILE H H 6 8.062 8.062 7.200 0.862 19162 2924 1 11 . 1 1 7 7 VAL N N 7 120.915 120.915 119.258 1.657 19162 2925 1 11 . 1 1 7 7 VAL C C 7 177.009 177.009 178.124 -1.115 19162 2926 1 11 . 1 1 7 7 VAL CA C 7 65.017 65.017 66.717 -1.700 19162 2927 1 11 . 1 1 7 7 VAL CB C 7 31.309 31.309 30.803 0.506 19162 2928 1 11 . 1 1 7 7 VAL H H 7 7.993 7.993 8.430 -0.437 19162 2929 1 11 . 1 1 8 8 LEU N N 8 121.098 121.098 120.308 0.790 19162 2930 1 11 . 1 1 8 8 LEU C C 8 178.655 178.655 178.839 -0.184 19162 2931 1 11 . 1 1 8 8 LEU CA C 8 56.781 56.781 58.491 -1.710 19162 2932 1 11 . 1 1 8 8 LEU CB C 8 41.010 41.010 41.307 -0.297 19162 2933 1 11 . 1 1 8 8 LEU H H 8 8.061 8.061 7.656 0.405 19162 2934 1 11 . 1 1 9 9 ASN N N 9 118.347 118.347 117.298 1.049 19162 2935 1 11 . 1 1 9 9 ASN C C 9 176.695 176.695 177.209 -0.514 19162 2936 1 11 . 1 1 9 9 ASN CA C 9 54.919 54.919 55.989 -1.070 19162 2937 1 11 . 1 1 9 9 ASN CB C 9 38.674 38.674 37.993 0.681 19162 2938 1 11 . 1 1 9 9 ASN H H 9 8.102 8.102 7.544 0.558 19162 2939 1 11 . 1 1 10 10 ALA N N 10 124.124 124.124 122.269 1.855 19162 2940 1 11 . 1 1 10 10 ALA C C 10 178.263 178.263 179.107 -0.844 19162 2941 1 11 . 1 1 10 10 ALA CA C 10 54.505 54.505 55.105 -0.600 19162 2942 1 11 . 1 1 10 10 ALA CB C 10 17.942 17.942 18.333 -0.391 19162 2943 1 11 . 1 1 10 10 ALA H H 10 8.388 8.388 7.609 0.779 19162 2944 1 11 . 1 1 11 11 ALA N N 11 119.814 119.814 119.762 0.052 19162 2945 1 11 . 1 1 11 11 ALA C C 11 179.204 179.204 179.327 -0.123 19162 2946 1 11 . 1 1 11 11 ALA CA C 11 54.298 54.298 55.283 -0.986 19162 2947 1 11 . 1 1 11 11 ALA CB C 11 17.942 17.942 18.087 -0.145 19162 2948 1 11 . 1 1 11 11 ALA H H 11 8.279 8.279 7.892 0.387 19162 2949 1 11 . 1 1 12 12 SER N N 12 113.303 113.303 114.896 -1.593 19162 2950 1 11 . 1 1 12 12 SER C C 12 175.873 175.873 176.510 -0.637 19162 2951 1 11 . 1 1 12 12 SER CA C 12 60.140 60.140 61.220 -1.080 19162 2952 1 11 . 1 1 12 12 SER CB C 12 63.221 63.221 62.572 0.649 19162 2953 1 11 . 1 1 12 12 SER H H 12 7.952 7.952 7.442 0.510 19162 2954 1 11 . 1 1 13 13 ALA N N 13 124.308 124.308 123.549 0.759 19162 2955 1 11 . 1 1 13 13 ALA C C 13 178.420 178.420 179.249 -0.829 19162 2956 1 11 . 1 1 13 13 ALA CA C 13 53.470 53.470 54.690 -1.220 19162 2957 1 11 . 1 1 13 13 ALA CB C 13 18.373 18.373 17.960 0.413 19162 2958 1 11 . 1 1 13 13 ALA H H 13 7.924 7.924 7.619 0.305 19162 2959 1 11 . 1 1 14 14 ALA N N 14 119.998 119.998 120.461 -0.463 19162 2960 1 11 . 1 1 14 14 ALA C C 14 178.420 178.420 179.048 -0.628 19162 2961 1 11 . 1 1 14 14 ALA CA C 14 53.263 53.263 54.706 -1.443 19162 2962 1 11 . 1 1 14 14 ALA CB C 14 18.373 18.373 18.492 -0.119 19162 2963 1 11 . 1 1 14 14 ALA H H 14 7.965 7.965 7.682 0.283 19162 2964 1 11 . 1 1 15 15 GLY N N 15 105.417 105.417 106.309 -0.892 19162 2965 1 11 . 1 1 15 15 GLY C C 15 174.422 174.422 175.835 -1.413 19162 2966 1 11 . 1 1 15 15 GLY CA C 15 45.605 45.605 46.456 -0.851 19162 2967 1 11 . 1 1 15 15 GLY H H 15 8.020 8.020 7.672 0.348 19162 2968 1 11 . 1 1 16 16 ASN N N 16 118.989 118.989 119.759 -0.770 19162 2969 1 11 . 1 1 16 16 ASN C C 16 175.598 175.598 175.843 -0.245 19162 2970 1 11 . 1 1 16 16 ASN CA C 16 53.677 53.677 54.151 -0.474 19162 2971 1 11 . 1 1 16 16 ASN CB C 16 38.621 38.621 38.412 0.209 19162 2972 1 11 . 1 1 16 16 ASN H H 16 8.156 8.156 7.503 0.653 19162 2973 1 11 . 1 1 17 17 HIS N N 17 119.081 119.081 121.390 -2.309 19162 2974 1 11 . 1 1 17 17 HIS C C 17 176.068 176.068 174.575 1.493 19162 2975 1 11 . 1 1 17 17 HIS CA C 17 56.781 56.781 57.394 -0.613 19162 2976 1 11 . 1 1 17 17 HIS CB C 17 29.942 29.942 27.892 2.050 19162 2977 1 11 . 1 1 17 17 HIS H H 17 8.322 8.322 7.518 0.804 19162 2978 1 11 . 1 1 18 18 GLY N N 18 109.543 109.543 112.320 -2.777 19162 2979 1 11 . 1 1 18 18 GLY C C 18 175.206 175.206 173.550 1.656 19162 2980 1 11 . 1 1 18 18 GLY CA C 18 47.054 47.054 44.294 2.760 19162 2981 1 11 . 1 1 18 18 GLY H H 18 8.607 8.607 7.663 0.944 19162 2982 1 11 . 1 1 19 19 PHE N N 19 120.640 120.640 124.006 -3.366 19162 2983 1 11 . 1 1 19 19 PHE C C 19 176.695 176.695 175.682 1.013 19162 2984 1 11 . 1 1 19 19 PHE CA C 19 60.507 60.507 59.089 1.418 19162 2985 1 11 . 1 1 19 19 PHE CB C 19 38.638 38.638 38.188 0.450 19162 2986 1 11 . 1 1 19 19 PHE H H 19 8.716 8.716 8.664 0.052 19162 2987 1 11 . 1 1 20 20 PHE N N 20 118.989 118.989 115.688 3.301 19162 2988 1 11 . 1 1 20 20 PHE C C 20 176.617 176.617 177.047 -0.430 19162 2989 1 11 . 1 1 20 20 PHE CA C 20 61.334 61.334 58.950 2.384 19162 2990 1 11 . 1 1 20 20 PHE CB C 20 38.460 38.460 36.596 1.864 19162 2991 1 11 . 1 1 20 20 PHE H H 20 8.143 8.143 6.860 1.283 19162 2992 1 11 . 1 1 21 21 TRP N N 21 118.897 118.897 122.402 -3.505 19162 2993 1 11 . 1 1 21 21 TRP C C 21 178.577 178.577 178.348 0.229 19162 2994 1 11 . 1 1 21 21 TRP CA C 21 59.691 59.691 60.741 -1.050 19162 2995 1 11 . 1 1 21 21 TRP CB C 21 29.636 29.636 29.680 -0.044 19162 2996 1 11 . 1 1 21 21 TRP H H 21 7.911 7.911 6.888 1.023 19162 2997 1 11 . 1 1 22 22 GLY N N 22 105.692 105.692 106.669 -0.977 19162 2998 1 11 . 1 1 22 22 GLY C C 22 174.657 174.657 175.782 -1.125 19162 2999 1 11 . 1 1 22 22 GLY CA C 22 47.261 47.261 47.182 0.079 19162 3000 1 11 . 1 1 22 22 GLY H H 22 8.306 8.306 7.576 0.730 19162 3001 1 11 . 1 1 23 23 LEU N N 23 121.557 121.557 121.968 -0.411 19162 3002 1 11 . 1 1 23 23 LEU C C 23 179.752 179.752 178.708 1.044 19162 3003 1 11 . 1 1 23 23 LEU CA C 23 57.402 57.402 57.988 -0.586 19162 3004 1 11 . 1 1 23 23 LEU CB C 23 40.579 40.579 41.690 -1.111 19162 3005 1 11 . 1 1 23 23 LEU H H 23 7.993 7.993 7.557 0.436 19162 3006 1 11 . 1 1 24 24 LEU N N 24 122.382 122.382 119.231 3.151 19162 3007 1 11 . 1 1 24 24 LEU C C 24 178.185 178.185 178.313 -0.128 19162 3008 1 11 . 1 1 24 24 LEU CA C 24 58.437 58.437 57.854 0.583 19162 3009 1 11 . 1 1 24 24 LEU CB C 24 40.439 40.439 41.168 -0.729 19162 3010 1 11 . 1 1 24 24 LEU H H 24 8.047 8.047 7.119 0.928 19162 3011 1 11 . 1 1 25 25 VAL N N 25 118.255 118.255 118.349 -0.094 19162 3012 1 11 . 1 1 25 25 VAL C C 25 177.636 177.636 178.371 -0.735 19162 3013 1 11 . 1 1 25 25 VAL CA C 25 67.129 67.129 66.552 0.577 19162 3014 1 11 . 1 1 25 25 VAL CB C 25 30.813 30.813 30.823 -0.010 19162 3015 1 11 . 1 1 25 25 VAL H H 25 8.102 8.102 7.066 1.036 19162 3016 1 11 . 1 1 26 26 VAL N N 26 118.072 118.072 120.112 -2.040 19162 3017 1 11 . 1 1 26 26 VAL C C 26 177.322 177.322 178.315 -0.993 19162 3018 1 11 . 1 1 26 26 VAL CA C 26 66.686 66.686 66.925 -0.240 19162 3019 1 11 . 1 1 26 26 VAL CB C 26 30.653 30.653 31.206 -0.553 19162 3020 1 11 . 1 1 26 26 VAL H H 26 8.088 8.088 7.568 0.520 19162 3021 1 11 . 1 1 27 27 THR N N 27 116.788 116.788 117.398 -0.610 19162 3022 1 11 . 1 1 27 27 THR C C 27 177.322 177.322 176.841 0.481 19162 3023 1 11 . 1 1 27 27 THR CA C 27 67.750 67.750 66.932 0.818 19162 3024 1 11 . 1 1 27 27 THR H H 27 8.047 8.047 8.142 -0.095 19162 3025 1 11 . 1 1 28 28 LEU N N 28 122.932 122.932 121.560 1.372 19162 3026 1 11 . 1 1 28 28 LEU C C 28 178.499 178.499 178.806 -0.307 19162 3027 1 11 . 1 1 28 28 LEU CA C 28 58.230 58.230 58.576 -0.346 19162 3028 1 11 . 1 1 28 28 LEU CB C 28 40.794 40.794 41.361 -0.567 19162 3029 1 11 . 1 1 28 28 LEU H H 28 8.429 8.429 8.072 0.357 19162 3030 1 11 . 1 1 29 29 ALA N N 29 121.190 121.190 121.876 -0.686 19162 3031 1 11 . 1 1 29 29 ALA C C 29 178.890 178.890 179.251 -0.361 19162 3032 1 11 . 1 1 29 29 ALA CA C 29 55.333 55.333 54.867 0.466 19162 3033 1 11 . 1 1 29 29 ALA CB C 29 17.727 17.727 18.189 -0.463 19162 3034 1 11 . 1 1 29 29 ALA H H 29 8.607 8.607 7.591 1.016 19162 3035 1 11 . 1 1 30 30 TRP N N 30 118.622 118.622 119.292 -0.670 19162 3036 1 11 . 1 1 30 30 TRP C C 30 178.420 178.420 179.039 -0.619 19162 3037 1 11 . 1 1 30 30 TRP CA C 30 60.300 60.300 60.312 -0.012 19162 3038 1 11 . 1 1 30 30 TRP CB C 30 28.937 28.937 29.422 -0.485 19162 3039 1 11 . 1 1 30 30 TRP H H 30 8.538 8.538 7.915 0.623 19162 3040 1 11 . 1 1 31 31 HIS N N 31 117.888 117.888 120.108 -2.220 19162 3041 1 11 . 1 1 31 31 HIS C C 31 177.949 177.949 177.683 0.266 19162 3042 1 11 . 1 1 31 31 HIS CA C 31 59.886 59.886 60.333 -0.447 19162 3043 1 11 . 1 1 31 31 HIS CB C 31 30.015 30.015 30.306 -0.291 19162 3044 1 11 . 1 1 31 31 HIS H H 31 8.238 8.238 8.222 0.016 19162 3045 1 11 . 1 1 32 32 VAL N N 32 116.788 116.788 115.567 1.221 19162 3046 1 11 . 1 1 32 32 VAL C C 32 177.401 177.401 177.011 0.390 19162 3047 1 11 . 1 1 32 32 VAL CA C 32 64.853 64.853 64.368 0.485 19162 3048 1 11 . 1 1 32 32 VAL CB C 32 30.877 30.877 31.309 -0.432 19162 3049 1 11 . 1 1 32 32 VAL H H 32 8.429 8.429 7.857 0.572 19162 3050 1 11 . 1 1 33 33 LYS N N 33 120.548 120.548 121.448 -0.900 19162 3051 1 11 . 1 1 33 33 LYS C C 33 177.636 177.636 178.736 -1.100 19162 3052 1 11 . 1 1 33 33 LYS CA C 33 58.851 58.851 59.980 -1.129 19162 3053 1 11 . 1 1 33 33 LYS CB C 33 31.134 31.134 31.846 -0.712 19162 3054 1 11 . 1 1 33 33 LYS H H 33 8.047 8.047 7.663 0.384 19162 3055 1 11 . 1 1 34 34 GLY N N 34 106.701 106.701 104.957 1.744 19162 3056 1 11 . 1 1 34 34 GLY C C 34 174.814 174.814 176.217 -1.403 19162 3057 1 11 . 1 1 34 34 GLY CA C 34 46.019 46.019 46.607 -0.588 19162 3058 1 11 . 1 1 34 34 GLY H H 34 7.938 7.938 7.850 0.088 19162 3059 1 11 . 1 1 35 35 ARG N N 35 118.164 118.164 122.250 -4.086 19162 3060 1 11 . 1 1 35 35 ARG C C 35 176.460 176.460 178.082 -1.622 19162 3061 1 11 . 1 1 35 35 ARG CA C 35 55.954 55.954 58.463 -2.509 19162 3062 1 11 . 1 1 35 35 ARG CB C 35 29.799 29.799 30.097 -0.298 19162 3063 1 11 . 1 1 35 35 ARG H H 35 7.624 7.624 7.543 0.081 19162 3064 1 11 . 1 1 36 36 LEU N N 36 118.897 118.897 118.897 0.000 19162 3065 1 11 . 1 1 36 36 LEU C C 36 176.539 176.539 178.456 -1.917 19162 3066 1 11 . 1 1 36 36 LEU CA C 36 55.540 55.540 57.948 -2.408 19162 3067 1 11 . 1 1 36 36 LEU CB C 36 42.303 42.303 42.050 0.253 19162 3068 1 11 . 1 1 36 36 LEU H H 36 7.720 7.720 8.094 -0.374 19162 3069 1 11 . 1 1 37 37 VAL N N 37 118.530 118.530 118.041 0.489 19162 3070 1 11 . 1 1 37 37 VAL C C 37 173.804 173.804 175.387 -1.583 19162 3071 1 11 . 1 1 37 37 VAL CA C 37 59.472 59.472 67.875 -8.403 19162 3072 1 11 . 1 1 37 37 VAL CB C 37 31.722 31.722 28.811 2.911 19162 3073 1 11 . 1 1 37 37 VAL H H 37 7.911 7.911 7.496 0.415 19162 3074 1 11 . 1 1 38 38 PRO C C 38 177.636 177.636 178.703 -1.067 19162 3075 1 11 . 1 1 38 38 PRO CA C 38 63.611 63.611 65.404 -1.794 19162 3076 1 11 . 1 1 38 38 PRO CB C 38 31.093 31.093 31.136 -0.043 19162 3077 1 11 . 1 1 39 39 GLY N N 39 109.268 109.268 107.253 2.015 19162 3078 1 11 . 1 1 39 39 GLY C C 39 174.422 174.422 175.809 -1.387 19162 3079 1 11 . 1 1 39 39 GLY CA C 39 45.192 45.192 46.102 -0.910 19162 3080 1 11 . 1 1 39 39 GLY H H 39 8.525 8.525 7.744 0.781 19162 3081 1 11 . 1 1 40 40 ALA N N 40 123.391 123.391 123.633 -0.242 19162 3082 1 11 . 1 1 40 40 ALA C C 40 178.028 178.028 177.987 0.041 19162 3083 1 11 . 1 1 40 40 ALA CA C 40 52.642 52.642 53.553 -0.911 19162 3084 1 11 . 1 1 40 40 ALA CB C 40 18.804 18.804 19.175 -0.371 19162 3085 1 11 . 1 1 40 40 ALA H H 40 7.965 7.965 7.651 0.314 19162 3086 1 11 . 1 1 41 41 THR N N 41 113.028 113.028 112.960 0.068 19162 3087 1 11 . 1 1 41 41 THR C C 41 175.363 175.363 173.790 1.573 19162 3088 1 11 . 1 1 41 41 THR CA C 41 62.162 62.162 61.209 0.953 19162 3089 1 11 . 1 1 41 41 THR CB C 41 69.467 69.467 69.244 0.223 19162 3090 1 11 . 1 1 41 41 THR H H 41 8.115 8.115 7.659 0.456 19162 3091 1 11 . 1 1 42 42 TYR N N 42 121.373 121.373 127.618 -6.245 19162 3092 1 11 . 1 1 42 42 TYR C C 42 176.303 176.303 174.121 2.182 19162 3093 1 11 . 1 1 42 42 TYR CA C 42 59.473 59.473 56.883 2.590 19162 3094 1 11 . 1 1 42 42 TYR CB C 42 37.992 37.992 37.803 0.189 19162 3095 1 11 . 1 1 42 42 TYR H H 42 8.429 8.429 7.776 0.653 19162 3096 1 11 . 1 1 43 43 LEU N N 43 119.906 119.906 119.713 0.193 19162 3097 1 11 . 1 1 43 43 LEU C C 43 177.405 177.405 176.561 0.844 19162 3098 1 11 . 1 1 43 43 LEU CA C 43 55.540 55.540 54.091 1.449 19162 3099 1 11 . 1 1 43 43 LEU CB C 43 41.455 41.455 44.189 -2.734 19162 3100 1 11 . 1 1 43 43 LEU H H 43 7.899 7.899 8.267 -0.368 19162 3101 1 11 . 1 1 44 44 SER N N 44 115.779 115.779 117.169 -1.390 19162 3102 1 11 . 1 1 44 44 SER C C 44 175.049 175.049 173.916 1.133 19162 3103 1 11 . 1 1 44 44 SER CA C 44 59.058 59.058 57.869 1.189 19162 3104 1 11 . 1 1 44 44 SER CB C 44 63.649 63.649 62.297 1.352 19162 3105 1 11 . 1 1 44 44 SER H H 44 7.979 7.979 8.444 -0.465 19162 3106 1 11 . 1 1 45 45 LEU N N 45 122.199 122.199 125.450 -3.251 19162 3107 1 11 . 1 1 45 45 LEU C C 45 177.322 177.322 178.852 -1.530 19162 3108 1 11 . 1 1 45 45 LEU CA C 45 55.747 55.747 55.040 0.707 19162 3109 1 11 . 1 1 45 45 LEU CB C 45 41.441 41.441 42.280 -0.839 19162 3110 1 11 . 1 1 45 45 LEU H H 45 8.211 8.211 8.402 -0.191 19162 3111 1 11 . 1 1 46 46 GLY N N 46 105.325 105.325 106.699 -1.374 19162 3112 1 11 . 1 1 46 46 GLY C C 46 174.422 174.422 175.004 -0.582 19162 3113 1 11 . 1 1 46 46 GLY CA C 46 45.812 45.812 45.583 0.229 19162 3114 1 11 . 1 1 46 46 GLY H H 46 8.129 8.129 8.590 -0.461 19162 3115 1 11 . 1 1 47 47 VAL N N 47 117.063 117.063 118.945 -1.882 19162 3116 1 11 . 1 1 47 47 VAL C C 47 177.087 177.087 176.399 0.688 19162 3117 1 11 . 1 1 47 47 VAL CA C 47 62.783 62.783 61.961 0.822 19162 3118 1 11 . 1 1 47 47 VAL CB C 47 31.524 31.524 33.347 -1.823 19162 3119 1 11 . 1 1 47 47 VAL H H 47 7.897 7.897 7.789 0.108 19162 3120 1 11 . 1 1 48 48 TRP N N 48 121.465 121.465 124.765 -3.300 19162 3121 1 11 . 1 1 48 48 TRP C C 48 175.284 175.284 175.207 0.077 19162 3122 1 11 . 1 1 48 48 TRP CA C 48 60.921 60.921 61.043 -0.122 19162 3123 1 11 . 1 1 48 48 TRP CB C 48 27.644 27.644 27.996 -0.352 19162 3124 1 11 . 1 1 48 48 TRP H H 48 7.938 7.938 8.548 -0.610 19162 3125 1 11 . 1 1 49 49 PRO C C 49 177.610 177.610 178.150 -0.540 19162 3126 1 11 . 1 1 49 49 PRO CA C 49 65.888 65.888 64.624 1.264 19162 3127 1 11 . 1 1 49 49 PRO CB C 49 30.599 30.599 31.078 -0.479 19162 3128 1 11 . 1 1 50 50 LEU N N 50 115.596 115.596 118.597 -3.001 19162 3129 1 11 . 1 1 50 50 LEU C C 50 179.125 179.125 179.240 -0.115 19162 3130 1 11 . 1 1 50 50 LEU CA C 50 57.195 57.195 57.452 -0.257 19162 3131 1 11 . 1 1 50 50 LEU CB C 50 40.579 40.579 41.499 -0.920 19162 3132 1 11 . 1 1 50 50 LEU H H 50 7.215 7.215 7.722 -0.507 19162 3133 1 11 . 1 1 51 51 LEU N N 51 119.906 119.906 119.358 0.548 19162 3134 1 11 . 1 1 51 51 LEU C C 51 178.812 178.812 178.516 0.296 19162 3135 1 11 . 1 1 51 51 LEU CA C 51 57.402 57.402 58.212 -0.810 19162 3136 1 11 . 1 1 51 51 LEU CB C 51 41.027 41.027 41.789 -0.762 19162 3137 1 11 . 1 1 51 51 LEU H H 51 7.856 7.856 7.604 0.252 19162 3138 1 11 . 1 1 52 52 LEU N N 52 117.980 117.980 118.116 -0.136 19162 3139 1 11 . 1 1 52 52 LEU C C 52 178.655 178.655 179.563 -0.908 19162 3140 1 11 . 1 1 52 52 LEU CA C 52 57.753 57.753 57.566 0.187 19162 3141 1 11 . 1 1 52 52 LEU CB C 52 40.974 40.974 40.559 0.415 19162 3142 1 11 . 1 1 52 52 LEU H H 52 7.965 7.965 7.371 0.594 19162 3143 1 11 . 1 1 53 53 VAL N N 53 117.063 117.063 117.503 -0.440 19162 3144 1 11 . 1 1 53 53 VAL C C 53 177.636 177.636 177.665 -0.029 19162 3145 1 11 . 1 1 53 53 VAL CA C 53 66.302 66.302 65.859 0.444 19162 3146 1 11 . 1 1 53 53 VAL CB C 53 30.877 30.877 30.696 0.181 19162 3147 1 11 . 1 1 53 53 VAL H H 53 7.774 7.774 7.469 0.305 19162 3148 1 11 . 1 1 54 54 ARG N N 54 118.439 118.439 119.747 -1.308 19162 3149 1 11 . 1 1 54 54 ARG C C 54 178.263 178.263 177.748 0.515 19162 3150 1 11 . 1 1 54 54 ARG CA C 54 58.230 58.230 59.207 -0.977 19162 3151 1 11 . 1 1 54 54 ARG CB C 54 29.368 29.368 29.947 -0.579 19162 3152 1 11 . 1 1 54 54 ARG H H 54 7.665 7.665 7.568 0.097 19162 3153 1 11 . 1 1 55 55 LEU N N 55 117.888 117.888 117.906 -0.018 19162 3154 1 11 . 1 1 55 55 LEU C C 55 177.649 177.649 179.163 -1.514 19162 3155 1 11 . 1 1 55 55 LEU CA C 55 56.521 56.521 56.975 -0.454 19162 3156 1 11 . 1 1 55 55 LEU CB C 55 42.097 42.097 41.968 0.129 19162 3157 1 11 . 1 1 55 55 LEU H H 55 7.789 7.789 7.489 0.300 19162 3158 1 11 . 1 1 56 56 LEU N N 56 116.146 116.146 118.379 -2.233 19162 3159 1 11 . 1 1 56 56 LEU C C 56 176.930 176.930 178.299 -1.369 19162 3160 1 11 . 1 1 56 56 LEU CA C 56 55.333 55.333 57.085 -1.752 19162 3161 1 11 . 1 1 56 56 LEU CB C 56 41.990 41.990 41.821 0.169 19162 3162 1 11 . 1 1 56 56 LEU H H 56 7.693 7.693 7.307 0.386 19162 3163 1 11 . 1 1 57 57 ARG N N 57 118.897 118.897 120.151 -1.254 19162 3164 1 11 . 1 1 57 57 ARG C C 57 173.795 173.795 176.042 -2.247 19162 3165 1 11 . 1 1 57 57 ARG CA C 57 54.919 54.919 59.696 -4.777 19162 3166 1 11 . 1 1 57 57 ARG CB C 57 29.153 29.153 28.557 0.596 19162 3167 1 11 . 1 1 57 57 ARG H H 57 7.856 7.856 8.036 -0.180 19162 3168 1 11 . 1 1 58 58 PRO C C 58 177.009 177.009 176.595 0.414 19162 3169 1 11 . 1 1 58 58 PRO CA C 58 63.611 63.611 63.522 0.089 19162 3170 1 11 . 1 1 58 58 PRO CB C 58 31.027 31.027 31.759 -0.732 19162 3171 1 11 . 1 1 59 59 HIS N N 59 119.264 119.264 116.957 2.307 19162 3172 1 11 . 1 1 59 59 HIS C C 59 175.520 175.520 173.942 1.578 19162 3173 1 11 . 1 1 59 59 HIS CA C 59 56.574 56.574 57.063 -0.489 19162 3174 1 11 . 1 1 59 59 HIS CB C 59 30.446 30.446 30.240 0.206 19162 3175 1 11 . 1 1 59 59 HIS H H 59 8.375 8.375 7.988 0.387 19162 3176 1 11 . 1 1 60 60 ARG N N 60 122.382 122.382 118.376 4.006 19162 3177 1 11 . 1 1 60 60 ARG C C 60 175.598 175.598 174.544 1.054 19162 3178 1 11 . 1 1 60 60 ARG CA C 60 55.751 55.751 55.874 -0.123 19162 3179 1 11 . 1 1 60 60 ARG CB C 60 30.064 30.064 31.422 -1.358 19162 3180 1 11 . 1 1 60 60 ARG H H 60 7.980 7.980 7.376 0.604 19162 3181 1 11 . 1 1 61 61 ALA N N 61 125.041 125.041 126.597 -1.556 19162 3182 1 11 . 1 1 61 61 ALA C C 61 177.401 177.401 177.354 0.047 19162 3183 1 11 . 1 1 61 61 ALA CA C 61 52.228 52.228 53.450 -1.222 19162 3184 1 11 . 1 1 61 61 ALA CB C 61 18.804 18.804 18.585 0.219 19162 3185 1 11 . 1 1 61 61 ALA H H 61 8.320 8.320 8.629 -0.309 19162 3186 1 11 . 1 1 62 62 LEU N N 62 121.281 121.281 120.046 1.235 19162 3187 1 11 . 1 1 62 62 LEU C C 62 175.911 175.911 177.429 -1.518 19162 3188 1 11 . 1 1 62 62 LEU CA C 62 54.919 54.919 53.915 1.004 19162 3189 1 11 . 1 1 62 62 LEU CB C 62 41.657 41.657 40.478 1.179 19162 3190 1 11 . 1 1 62 62 LEU H H 62 8.115 8.115 7.677 0.438 19162 3191 1 12 . 1 1 2 2 ALA C C 2 178.255 178.255 178.731 -0.476 19162 3192 1 12 . 1 1 2 2 ALA CA C 2 53.263 53.263 53.951 -0.688 19162 3193 1 12 . 1 1 2 2 ALA CB C 2 18.411 18.411 19.286 -0.875 19162 3194 1 12 . 1 1 3 3 LYS N N 3 119.081 119.081 118.716 0.365 19162 3195 1 12 . 1 1 3 3 LYS C C 3 176.752 176.752 175.191 1.561 19162 3196 1 12 . 1 1 3 3 LYS CA C 3 57.816 57.816 55.907 1.909 19162 3197 1 12 . 1 1 3 3 LYS CB C 3 31.751 31.751 31.364 0.387 19162 3198 1 12 . 1 1 3 3 LYS H H 3 8.607 8.607 8.346 0.261 19162 3199 1 12 . 1 1 4 4 ASN N N 4 118.255 118.255 118.622 -0.367 19162 3200 1 12 . 1 1 4 4 ASN C C 4 176.029 176.029 175.987 0.042 19162 3201 1 12 . 1 1 4 4 ASN CA C 4 54.712 54.712 54.034 0.678 19162 3202 1 12 . 1 1 4 4 ASN CB C 4 38.244 38.244 40.410 -2.166 19162 3203 1 12 . 1 1 4 4 ASN H H 4 8.185 8.185 7.985 0.200 19162 3204 1 12 . 1 1 5 5 VAL N N 5 119.998 119.998 121.462 -1.464 19162 3205 1 12 . 1 1 5 5 VAL C C 5 177.259 177.259 177.642 -0.383 19162 3206 1 12 . 1 1 5 5 VAL CA C 5 64.232 64.232 66.536 -2.304 19162 3207 1 12 . 1 1 5 5 VAL CB C 5 31.524 31.524 31.469 0.055 19162 3208 1 12 . 1 1 5 5 VAL H H 5 7.857 7.857 7.409 0.448 19162 3209 1 12 . 1 1 6 6 ILE N N 6 122.474 122.474 118.880 3.594 19162 3210 1 12 . 1 1 6 6 ILE C C 6 177.009 177.009 177.980 -0.971 19162 3211 1 12 . 1 1 6 6 ILE CA C 6 63.400 63.400 64.678 -1.278 19162 3212 1 12 . 1 1 6 6 ILE CB C 6 37.177 37.177 37.501 -0.324 19162 3213 1 12 . 1 1 6 6 ILE H H 6 8.062 8.062 7.851 0.211 19162 3214 1 12 . 1 1 7 7 VAL N N 7 120.915 120.915 119.632 1.283 19162 3215 1 12 . 1 1 7 7 VAL C C 7 177.009 177.009 177.832 -0.823 19162 3216 1 12 . 1 1 7 7 VAL CA C 7 65.017 65.017 66.313 -1.296 19162 3217 1 12 . 1 1 7 7 VAL CB C 7 31.309 31.309 31.288 0.021 19162 3218 1 12 . 1 1 7 7 VAL H H 7 7.993 7.993 7.520 0.473 19162 3219 1 12 . 1 1 8 8 LEU N N 8 121.098 121.098 119.791 1.307 19162 3220 1 12 . 1 1 8 8 LEU C C 8 178.655 178.655 178.717 -0.062 19162 3221 1 12 . 1 1 8 8 LEU CA C 8 56.781 56.781 58.647 -1.866 19162 3222 1 12 . 1 1 8 8 LEU CB C 8 41.010 41.010 41.380 -0.370 19162 3223 1 12 . 1 1 8 8 LEU H H 8 8.061 8.061 7.735 0.326 19162 3224 1 12 . 1 1 9 9 ASN N N 9 118.347 118.347 117.253 1.094 19162 3225 1 12 . 1 1 9 9 ASN C C 9 176.695 176.695 177.148 -0.453 19162 3226 1 12 . 1 1 9 9 ASN CA C 9 54.919 54.919 56.127 -1.208 19162 3227 1 12 . 1 1 9 9 ASN CB C 9 38.674 38.674 38.161 0.513 19162 3228 1 12 . 1 1 9 9 ASN H H 9 8.102 8.102 7.526 0.576 19162 3229 1 12 . 1 1 10 10 ALA N N 10 124.124 124.124 122.092 2.032 19162 3230 1 12 . 1 1 10 10 ALA C C 10 178.263 178.263 179.137 -0.874 19162 3231 1 12 . 1 1 10 10 ALA CA C 10 54.505 54.505 55.020 -0.515 19162 3232 1 12 . 1 1 10 10 ALA CB C 10 17.942 17.942 18.320 -0.378 19162 3233 1 12 . 1 1 10 10 ALA H H 10 8.388 8.388 7.640 0.748 19162 3234 1 12 . 1 1 11 11 ALA N N 11 119.814 119.814 119.608 0.206 19162 3235 1 12 . 1 1 11 11 ALA C C 11 179.204 179.204 179.331 -0.127 19162 3236 1 12 . 1 1 11 11 ALA CA C 11 54.298 54.298 55.153 -0.855 19162 3237 1 12 . 1 1 11 11 ALA CB C 11 17.942 17.942 18.093 -0.151 19162 3238 1 12 . 1 1 11 11 ALA H H 11 8.279 8.279 7.851 0.428 19162 3239 1 12 . 1 1 12 12 SER N N 12 113.303 113.303 115.152 -1.849 19162 3240 1 12 . 1 1 12 12 SER C C 12 175.873 175.873 176.412 -0.539 19162 3241 1 12 . 1 1 12 12 SER CA C 12 60.140 60.140 60.994 -0.854 19162 3242 1 12 . 1 1 12 12 SER CB C 12 63.221 63.221 62.226 0.995 19162 3243 1 12 . 1 1 12 12 SER H H 12 7.952 7.952 7.601 0.351 19162 3244 1 12 . 1 1 13 13 ALA N N 13 124.308 124.308 123.609 0.699 19162 3245 1 12 . 1 1 13 13 ALA C C 13 178.420 178.420 178.872 -0.452 19162 3246 1 12 . 1 1 13 13 ALA CA C 13 53.470 53.470 54.632 -1.162 19162 3247 1 12 . 1 1 13 13 ALA CB C 13 18.373 18.373 17.878 0.495 19162 3248 1 12 . 1 1 13 13 ALA H H 13 7.924 7.924 7.440 0.484 19162 3249 1 12 . 1 1 14 14 ALA N N 14 119.998 119.998 120.824 -0.826 19162 3250 1 12 . 1 1 14 14 ALA C C 14 178.420 178.420 179.474 -1.054 19162 3251 1 12 . 1 1 14 14 ALA CA C 14 53.263 53.263 54.018 -0.755 19162 3252 1 12 . 1 1 14 14 ALA CB C 14 18.373 18.373 18.462 -0.090 19162 3253 1 12 . 1 1 14 14 ALA H H 14 7.965 7.965 7.512 0.453 19162 3254 1 12 . 1 1 15 15 GLY N N 15 105.417 105.417 107.215 -1.798 19162 3255 1 12 . 1 1 15 15 GLY C C 15 174.422 174.422 175.832 -1.410 19162 3256 1 12 . 1 1 15 15 GLY CA C 15 45.605 45.605 46.174 -0.569 19162 3257 1 12 . 1 1 15 15 GLY H H 15 8.020 8.020 7.699 0.321 19162 3258 1 12 . 1 1 16 16 ASN N N 16 118.989 118.989 119.429 -0.440 19162 3259 1 12 . 1 1 16 16 ASN C C 16 175.598 175.598 176.073 -0.475 19162 3260 1 12 . 1 1 16 16 ASN CA C 16 53.677 53.677 54.388 -0.711 19162 3261 1 12 . 1 1 16 16 ASN CB C 16 38.621 38.621 38.994 -0.373 19162 3262 1 12 . 1 1 16 16 ASN H H 16 8.156 8.156 7.538 0.618 19162 3263 1 12 . 1 1 17 17 HIS N N 17 119.081 119.081 120.053 -0.972 19162 3264 1 12 . 1 1 17 17 HIS C C 17 176.068 176.068 175.125 0.943 19162 3265 1 12 . 1 1 17 17 HIS CA C 17 56.781 56.781 57.556 -0.775 19162 3266 1 12 . 1 1 17 17 HIS CB C 17 29.942 29.942 28.161 1.781 19162 3267 1 12 . 1 1 17 17 HIS H H 17 8.322 8.322 7.787 0.535 19162 3268 1 12 . 1 1 18 18 GLY N N 18 109.543 109.543 111.350 -1.807 19162 3269 1 12 . 1 1 18 18 GLY C C 18 175.206 175.206 173.990 1.216 19162 3270 1 12 . 1 1 18 18 GLY CA C 18 47.054 47.054 44.943 2.111 19162 3271 1 12 . 1 1 18 18 GLY H H 18 8.607 8.607 7.788 0.819 19162 3272 1 12 . 1 1 19 19 PHE N N 19 120.640 120.640 121.980 -1.340 19162 3273 1 12 . 1 1 19 19 PHE C C 19 176.695 176.695 176.690 0.005 19162 3274 1 12 . 1 1 19 19 PHE CA C 19 60.507 60.507 59.621 0.886 19162 3275 1 12 . 1 1 19 19 PHE CB C 19 38.638 38.638 39.332 -0.694 19162 3276 1 12 . 1 1 19 19 PHE H H 19 8.716 8.716 8.740 -0.024 19162 3277 1 12 . 1 1 20 20 PHE N N 20 118.989 118.989 118.711 0.278 19162 3278 1 12 . 1 1 20 20 PHE C C 20 176.617 176.617 178.043 -1.426 19162 3279 1 12 . 1 1 20 20 PHE CA C 20 61.334 61.334 61.505 -0.171 19162 3280 1 12 . 1 1 20 20 PHE CB C 20 38.460 38.460 38.216 0.244 19162 3281 1 12 . 1 1 20 20 PHE H H 20 8.143 8.143 7.930 0.213 19162 3282 1 12 . 1 1 21 21 TRP N N 21 118.897 118.897 120.014 -1.117 19162 3283 1 12 . 1 1 21 21 TRP C C 21 178.577 178.577 177.997 0.580 19162 3284 1 12 . 1 1 21 21 TRP CA C 21 59.691 59.691 59.747 -0.056 19162 3285 1 12 . 1 1 21 21 TRP CB C 21 29.636 29.636 29.478 0.158 19162 3286 1 12 . 1 1 21 21 TRP H H 21 7.911 7.911 8.346 -0.435 19162 3287 1 12 . 1 1 22 22 GLY N N 22 105.692 105.692 106.943 -1.251 19162 3288 1 12 . 1 1 22 22 GLY C C 22 174.657 174.657 175.883 -1.226 19162 3289 1 12 . 1 1 22 22 GLY CA C 22 47.261 47.261 46.796 0.465 19162 3290 1 12 . 1 1 22 22 GLY H H 22 8.306 8.306 7.416 0.890 19162 3291 1 12 . 1 1 23 23 LEU N N 23 121.557 121.557 121.809 -0.252 19162 3292 1 12 . 1 1 23 23 LEU C C 23 179.752 179.752 178.585 1.167 19162 3293 1 12 . 1 1 23 23 LEU CA C 23 57.402 57.402 57.663 -0.260 19162 3294 1 12 . 1 1 23 23 LEU CB C 23 40.579 40.579 41.763 -1.184 19162 3295 1 12 . 1 1 23 23 LEU H H 23 7.993 7.993 7.473 0.520 19162 3296 1 12 . 1 1 24 24 LEU N N 24 122.382 122.382 119.128 3.254 19162 3297 1 12 . 1 1 24 24 LEU C C 24 178.185 178.185 178.623 -0.438 19162 3298 1 12 . 1 1 24 24 LEU CA C 24 58.437 58.437 57.818 0.619 19162 3299 1 12 . 1 1 24 24 LEU CB C 24 40.439 40.439 41.277 -0.838 19162 3300 1 12 . 1 1 24 24 LEU H H 24 8.047 8.047 7.219 0.828 19162 3301 1 12 . 1 1 25 25 VAL N N 25 118.255 118.255 118.261 -0.006 19162 3302 1 12 . 1 1 25 25 VAL C C 25 177.636 177.636 178.018 -0.382 19162 3303 1 12 . 1 1 25 25 VAL CA C 25 67.129 67.129 66.227 0.902 19162 3304 1 12 . 1 1 25 25 VAL CB C 25 30.813 30.813 31.047 -0.234 19162 3305 1 12 . 1 1 25 25 VAL H H 25 8.102 8.102 7.170 0.932 19162 3306 1 12 . 1 1 26 26 VAL N N 26 118.072 118.072 118.768 -0.696 19162 3307 1 12 . 1 1 26 26 VAL C C 26 177.322 177.322 178.194 -0.872 19162 3308 1 12 . 1 1 26 26 VAL CA C 26 66.686 66.686 66.454 0.231 19162 3309 1 12 . 1 1 26 26 VAL CB C 26 30.653 30.653 30.931 -0.278 19162 3310 1 12 . 1 1 26 26 VAL H H 26 8.088 8.088 7.291 0.797 19162 3311 1 12 . 1 1 27 27 THR N N 27 116.788 116.788 115.123 1.665 19162 3312 1 12 . 1 1 27 27 THR C C 27 177.322 177.322 176.859 0.463 19162 3313 1 12 . 1 1 27 27 THR CA C 27 67.750 67.750 66.347 1.403 19162 3314 1 12 . 1 1 27 27 THR H H 27 8.047 8.047 7.995 0.052 19162 3315 1 12 . 1 1 28 28 LEU N N 28 122.932 122.932 122.465 0.467 19162 3316 1 12 . 1 1 28 28 LEU C C 28 178.499 178.499 178.746 -0.247 19162 3317 1 12 . 1 1 28 28 LEU CA C 28 58.230 58.230 58.512 -0.282 19162 3318 1 12 . 1 1 28 28 LEU CB C 28 40.794 40.794 41.358 -0.565 19162 3319 1 12 . 1 1 28 28 LEU H H 28 8.429 8.429 8.015 0.414 19162 3320 1 12 . 1 1 29 29 ALA N N 29 121.190 121.190 121.851 -0.661 19162 3321 1 12 . 1 1 29 29 ALA C C 29 178.890 178.890 180.223 -1.333 19162 3322 1 12 . 1 1 29 29 ALA CA C 29 55.333 55.333 54.844 0.488 19162 3323 1 12 . 1 1 29 29 ALA CB C 29 17.727 17.727 18.241 -0.514 19162 3324 1 12 . 1 1 29 29 ALA H H 29 8.607 8.607 7.619 0.988 19162 3325 1 12 . 1 1 30 30 TRP N N 30 118.622 118.622 119.745 -1.123 19162 3326 1 12 . 1 1 30 30 TRP C C 30 178.420 178.420 178.796 -0.376 19162 3327 1 12 . 1 1 30 30 TRP CA C 30 60.300 60.300 60.925 -0.625 19162 3328 1 12 . 1 1 30 30 TRP CB C 30 28.937 28.937 29.390 -0.453 19162 3329 1 12 . 1 1 30 30 TRP H H 30 8.538 8.538 7.855 0.683 19162 3330 1 12 . 1 1 31 31 HIS N N 31 117.888 117.888 120.026 -2.138 19162 3331 1 12 . 1 1 31 31 HIS C C 31 177.949 177.949 177.671 0.278 19162 3332 1 12 . 1 1 31 31 HIS CA C 31 59.886 59.886 60.203 -0.317 19162 3333 1 12 . 1 1 31 31 HIS CB C 31 30.015 30.015 30.544 -0.529 19162 3334 1 12 . 1 1 31 31 HIS H H 31 8.238 8.238 7.962 0.276 19162 3335 1 12 . 1 1 32 32 VAL N N 32 116.788 116.788 114.957 1.831 19162 3336 1 12 . 1 1 32 32 VAL C C 32 177.401 177.401 176.947 0.454 19162 3337 1 12 . 1 1 32 32 VAL CA C 32 64.853 64.853 64.632 0.221 19162 3338 1 12 . 1 1 32 32 VAL CB C 32 30.877 30.877 31.178 -0.301 19162 3339 1 12 . 1 1 32 32 VAL H H 32 8.429 8.429 7.806 0.623 19162 3340 1 12 . 1 1 33 33 LYS N N 33 120.548 120.548 121.005 -0.457 19162 3341 1 12 . 1 1 33 33 LYS C C 33 177.636 177.636 178.906 -1.270 19162 3342 1 12 . 1 1 33 33 LYS CA C 33 58.851 58.851 59.769 -0.918 19162 3343 1 12 . 1 1 33 33 LYS CB C 33 31.134 31.134 31.697 -0.562 19162 3344 1 12 . 1 1 33 33 LYS H H 33 8.047 8.047 7.479 0.568 19162 3345 1 12 . 1 1 34 34 GLY N N 34 106.701 106.701 104.658 2.043 19162 3346 1 12 . 1 1 34 34 GLY C C 34 174.814 174.814 176.168 -1.354 19162 3347 1 12 . 1 1 34 34 GLY CA C 34 46.019 46.019 46.414 -0.395 19162 3348 1 12 . 1 1 34 34 GLY H H 34 7.938 7.938 7.795 0.143 19162 3349 1 12 . 1 1 35 35 ARG N N 35 118.164 118.164 121.480 -3.316 19162 3350 1 12 . 1 1 35 35 ARG C C 35 176.460 176.460 178.334 -1.874 19162 3351 1 12 . 1 1 35 35 ARG CA C 35 55.954 55.954 58.639 -2.684 19162 3352 1 12 . 1 1 35 35 ARG CB C 35 29.799 29.799 29.911 -0.112 19162 3353 1 12 . 1 1 35 35 ARG H H 35 7.624 7.624 7.561 0.063 19162 3354 1 12 . 1 1 36 36 LEU N N 36 118.897 118.897 119.547 -0.650 19162 3355 1 12 . 1 1 36 36 LEU C C 36 176.539 176.539 178.348 -1.809 19162 3356 1 12 . 1 1 36 36 LEU CA C 36 55.540 55.540 58.000 -2.460 19162 3357 1 12 . 1 1 36 36 LEU CB C 36 42.303 42.303 41.973 0.330 19162 3358 1 12 . 1 1 36 36 LEU H H 36 7.720 7.720 7.976 -0.256 19162 3359 1 12 . 1 1 37 37 VAL N N 37 118.530 118.530 117.887 0.643 19162 3360 1 12 . 1 1 37 37 VAL C C 37 173.804 173.804 175.423 -1.619 19162 3361 1 12 . 1 1 37 37 VAL CA C 37 59.472 59.472 67.946 -8.474 19162 3362 1 12 . 1 1 37 37 VAL CB C 37 31.722 31.722 28.826 2.896 19162 3363 1 12 . 1 1 37 37 VAL H H 37 7.911 7.911 7.520 0.391 19162 3364 1 12 . 1 1 38 38 PRO C C 38 177.636 177.636 178.623 -0.987 19162 3365 1 12 . 1 1 38 38 PRO CA C 38 63.611 63.611 65.142 -1.531 19162 3366 1 12 . 1 1 38 38 PRO CB C 38 31.093 31.093 31.306 -0.213 19162 3367 1 12 . 1 1 39 39 GLY N N 39 109.268 109.268 106.939 2.329 19162 3368 1 12 . 1 1 39 39 GLY C C 39 174.422 174.422 174.973 -0.551 19162 3369 1 12 . 1 1 39 39 GLY CA C 39 45.192 45.192 46.202 -1.010 19162 3370 1 12 . 1 1 39 39 GLY H H 39 8.525 8.525 7.684 0.841 19162 3371 1 12 . 1 1 40 40 ALA N N 40 123.391 123.391 122.771 0.620 19162 3372 1 12 . 1 1 40 40 ALA C C 40 178.028 178.028 177.642 0.386 19162 3373 1 12 . 1 1 40 40 ALA CA C 40 52.642 52.642 53.864 -1.222 19162 3374 1 12 . 1 1 40 40 ALA CB C 40 18.804 18.804 19.167 -0.363 19162 3375 1 12 . 1 1 40 40 ALA H H 40 7.965 7.965 7.598 0.367 19162 3376 1 12 . 1 1 41 41 THR N N 41 113.028 113.028 111.886 1.142 19162 3377 1 12 . 1 1 41 41 THR C C 41 175.363 175.363 173.739 1.624 19162 3378 1 12 . 1 1 41 41 THR CA C 41 62.162 62.162 61.940 0.222 19162 3379 1 12 . 1 1 41 41 THR CB C 41 69.467 69.467 68.827 0.640 19162 3380 1 12 . 1 1 41 41 THR H H 41 8.115 8.115 7.530 0.585 19162 3381 1 12 . 1 1 42 42 TYR N N 42 121.373 121.373 125.333 -3.960 19162 3382 1 12 . 1 1 42 42 TYR C C 42 176.303 176.303 173.760 2.543 19162 3383 1 12 . 1 1 42 42 TYR CA C 42 59.473 59.473 56.874 2.599 19162 3384 1 12 . 1 1 42 42 TYR CB C 42 37.992 37.992 38.108 -0.116 19162 3385 1 12 . 1 1 42 42 TYR H H 42 8.429 8.429 7.537 0.892 19162 3386 1 12 . 1 1 43 43 LEU N N 43 119.906 119.906 120.534 -0.628 19162 3387 1 12 . 1 1 43 43 LEU C C 43 177.405 177.405 176.762 0.643 19162 3388 1 12 . 1 1 43 43 LEU CA C 43 55.540 55.540 53.682 1.858 19162 3389 1 12 . 1 1 43 43 LEU CB C 43 41.455 41.455 43.928 -2.474 19162 3390 1 12 . 1 1 43 43 LEU H H 43 7.899 7.899 8.291 -0.392 19162 3391 1 12 . 1 1 44 44 SER N N 44 115.779 115.779 116.350 -0.571 19162 3392 1 12 . 1 1 44 44 SER C C 44 175.049 175.049 174.721 0.328 19162 3393 1 12 . 1 1 44 44 SER CA C 44 59.058 59.058 57.321 1.737 19162 3394 1 12 . 1 1 44 44 SER CB C 44 63.649 63.649 61.498 2.151 19162 3395 1 12 . 1 1 44 44 SER H H 44 7.979 7.979 8.314 -0.335 19162 3396 1 12 . 1 1 45 45 LEU N N 45 122.199 122.199 126.122 -3.923 19162 3397 1 12 . 1 1 45 45 LEU C C 45 177.322 177.322 178.850 -1.528 19162 3398 1 12 . 1 1 45 45 LEU CA C 45 55.747 55.747 55.688 0.059 19162 3399 1 12 . 1 1 45 45 LEU CB C 45 41.441 41.441 42.215 -0.774 19162 3400 1 12 . 1 1 45 45 LEU H H 45 8.211 8.211 8.212 -0.001 19162 3401 1 12 . 1 1 46 46 GLY N N 46 105.325 105.325 106.679 -1.354 19162 3402 1 12 . 1 1 46 46 GLY C C 46 174.422 174.422 175.248 -0.826 19162 3403 1 12 . 1 1 46 46 GLY CA C 46 45.812 45.812 46.517 -0.705 19162 3404 1 12 . 1 1 46 46 GLY H H 46 8.129 8.129 8.448 -0.319 19162 3405 1 12 . 1 1 47 47 VAL N N 47 117.063 117.063 119.492 -2.429 19162 3406 1 12 . 1 1 47 47 VAL C C 47 177.087 177.087 176.905 0.182 19162 3407 1 12 . 1 1 47 47 VAL CA C 47 62.783 62.783 63.469 -0.686 19162 3408 1 12 . 1 1 47 47 VAL CB C 47 31.524 31.524 32.421 -0.897 19162 3409 1 12 . 1 1 47 47 VAL H H 47 7.897 7.897 7.609 0.288 19162 3410 1 12 . 1 1 48 48 TRP N N 48 121.465 121.465 121.627 -0.162 19162 3411 1 12 . 1 1 48 48 TRP C C 48 175.284 175.284 175.551 -0.267 19162 3412 1 12 . 1 1 48 48 TRP CA C 48 60.921 60.921 60.999 -0.078 19162 3413 1 12 . 1 1 48 48 TRP CB C 48 27.644 27.644 27.628 0.016 19162 3414 1 12 . 1 1 48 48 TRP H H 48 7.938 7.938 8.512 -0.574 19162 3415 1 12 . 1 1 49 49 PRO C C 49 177.610 177.610 178.057 -0.447 19162 3416 1 12 . 1 1 49 49 PRO CA C 49 65.888 65.888 64.608 1.280 19162 3417 1 12 . 1 1 49 49 PRO CB C 49 30.599 30.599 31.348 -0.749 19162 3418 1 12 . 1 1 50 50 LEU N N 50 115.596 115.596 119.051 -3.455 19162 3419 1 12 . 1 1 50 50 LEU C C 50 179.125 179.125 179.248 -0.123 19162 3420 1 12 . 1 1 50 50 LEU CA C 50 57.195 57.195 57.632 -0.437 19162 3421 1 12 . 1 1 50 50 LEU CB C 50 40.579 40.579 41.801 -1.222 19162 3422 1 12 . 1 1 50 50 LEU H H 50 7.215 7.215 7.845 -0.630 19162 3423 1 12 . 1 1 51 51 LEU N N 51 119.906 119.906 118.833 1.073 19162 3424 1 12 . 1 1 51 51 LEU C C 51 178.812 178.812 179.007 -0.195 19162 3425 1 12 . 1 1 51 51 LEU CA C 51 57.402 57.402 57.960 -0.558 19162 3426 1 12 . 1 1 51 51 LEU CB C 51 41.027 41.027 41.240 -0.213 19162 3427 1 12 . 1 1 51 51 LEU H H 51 7.856 7.856 7.286 0.570 19162 3428 1 12 . 1 1 52 52 LEU N N 52 117.980 117.980 118.935 -0.955 19162 3429 1 12 . 1 1 52 52 LEU C C 52 178.655 178.655 178.875 -0.220 19162 3430 1 12 . 1 1 52 52 LEU CA C 52 57.753 57.753 57.768 -0.015 19162 3431 1 12 . 1 1 52 52 LEU CB C 52 40.974 40.974 41.348 -0.374 19162 3432 1 12 . 1 1 52 52 LEU H H 52 7.965 7.965 7.151 0.814 19162 3433 1 12 . 1 1 53 53 VAL N N 53 117.063 117.063 116.783 0.280 19162 3434 1 12 . 1 1 53 53 VAL C C 53 177.636 177.636 177.356 0.280 19162 3435 1 12 . 1 1 53 53 VAL CA C 53 66.302 66.302 65.939 0.363 19162 3436 1 12 . 1 1 53 53 VAL CB C 53 30.877 30.877 31.148 -0.271 19162 3437 1 12 . 1 1 53 53 VAL H H 53 7.774 7.774 7.554 0.220 19162 3438 1 12 . 1 1 54 54 ARG N N 54 118.439 118.439 120.061 -1.622 19162 3439 1 12 . 1 1 54 54 ARG C C 54 178.263 178.263 177.817 0.446 19162 3440 1 12 . 1 1 54 54 ARG CA C 54 58.230 58.230 59.312 -1.082 19162 3441 1 12 . 1 1 54 54 ARG CB C 54 29.368 29.368 29.873 -0.505 19162 3442 1 12 . 1 1 54 54 ARG H H 54 7.665 7.665 7.529 0.136 19162 3443 1 12 . 1 1 55 55 LEU N N 55 117.888 117.888 117.539 0.349 19162 3444 1 12 . 1 1 55 55 LEU C C 55 177.649 177.649 179.066 -1.417 19162 3445 1 12 . 1 1 55 55 LEU CA C 55 56.521 56.521 57.200 -0.679 19162 3446 1 12 . 1 1 55 55 LEU CB C 55 42.097 42.097 41.880 0.217 19162 3447 1 12 . 1 1 55 55 LEU H H 55 7.789 7.789 7.552 0.237 19162 3448 1 12 . 1 1 56 56 LEU N N 56 116.146 116.146 117.936 -1.790 19162 3449 1 12 . 1 1 56 56 LEU C C 56 176.930 176.930 179.037 -2.107 19162 3450 1 12 . 1 1 56 56 LEU CA C 56 55.333 55.333 57.036 -1.703 19162 3451 1 12 . 1 1 56 56 LEU CB C 56 41.990 41.990 41.481 0.509 19162 3452 1 12 . 1 1 56 56 LEU H H 56 7.693 7.693 7.298 0.395 19162 3453 1 12 . 1 1 57 57 ARG N N 57 118.897 118.897 120.602 -1.705 19162 3454 1 12 . 1 1 57 57 ARG C C 57 173.795 173.795 176.041 -2.246 19162 3455 1 12 . 1 1 57 57 ARG CA C 57 54.919 54.919 60.017 -5.098 19162 3456 1 12 . 1 1 57 57 ARG CB C 57 29.153 29.153 28.933 0.220 19162 3457 1 12 . 1 1 57 57 ARG H H 57 7.856 7.856 8.305 -0.449 19162 3458 1 12 . 1 1 58 58 PRO C C 58 177.009 177.009 176.922 0.087 19162 3459 1 12 . 1 1 58 58 PRO CA C 58 63.611 63.611 63.491 0.120 19162 3460 1 12 . 1 1 58 58 PRO CB C 58 31.027 31.027 31.728 -0.701 19162 3461 1 12 . 1 1 59 59 HIS N N 59 119.264 119.264 115.989 3.275 19162 3462 1 12 . 1 1 59 59 HIS C C 59 175.520 175.520 174.991 0.529 19162 3463 1 12 . 1 1 59 59 HIS CA C 59 56.574 56.574 57.528 -0.954 19162 3464 1 12 . 1 1 59 59 HIS CB C 59 30.446 30.446 30.116 0.330 19162 3465 1 12 . 1 1 59 59 HIS H H 59 8.375 8.375 8.204 0.171 19162 3466 1 12 . 1 1 60 60 ARG N N 60 122.382 122.382 119.853 2.529 19162 3467 1 12 . 1 1 60 60 ARG C C 60 175.598 175.598 175.883 -0.285 19162 3468 1 12 . 1 1 60 60 ARG CA C 60 55.751 55.751 56.492 -0.742 19162 3469 1 12 . 1 1 60 60 ARG CB C 60 30.064 30.064 31.372 -1.308 19162 3470 1 12 . 1 1 60 60 ARG H H 60 7.980 7.980 8.454 -0.474 19162 3471 1 12 . 1 1 61 61 ALA N N 61 125.041 125.041 122.631 2.410 19162 3472 1 12 . 1 1 61 61 ALA C C 61 177.401 177.401 177.144 0.257 19162 3473 1 12 . 1 1 61 61 ALA CA C 61 52.228 52.228 53.955 -1.727 19162 3474 1 12 . 1 1 61 61 ALA CB C 61 18.804 18.804 16.868 1.936 19162 3475 1 12 . 1 1 61 61 ALA H H 61 8.320 8.320 8.529 -0.209 19162 3476 1 12 . 1 1 62 62 LEU N N 62 121.281 121.281 119.921 1.360 19162 3477 1 12 . 1 1 62 62 LEU C C 62 175.911 175.911 176.825 -0.914 19162 3478 1 12 . 1 1 62 62 LEU CA C 62 54.919 54.919 53.854 1.065 19162 3479 1 12 . 1 1 62 62 LEU CB C 62 41.657 41.657 41.462 0.195 19162 3480 1 12 . 1 1 62 62 LEU H H 62 8.115 8.115 8.064 0.051 19162 3481 1 13 . 1 1 2 2 ALA C C 2 178.255 178.255 177.632 0.623 19162 3482 1 13 . 1 1 2 2 ALA CA C 2 53.263 53.263 53.607 -0.344 19162 3483 1 13 . 1 1 2 2 ALA CB C 2 18.411 18.411 19.056 -0.645 19162 3484 1 13 . 1 1 3 3 LYS N N 3 119.081 119.081 115.499 3.582 19162 3485 1 13 . 1 1 3 3 LYS C C 3 176.752 176.752 175.837 0.915 19162 3486 1 13 . 1 1 3 3 LYS CA C 3 57.816 57.816 56.706 1.111 19162 3487 1 13 . 1 1 3 3 LYS CB C 3 31.751 31.751 33.440 -1.689 19162 3488 1 13 . 1 1 3 3 LYS H H 3 8.607 8.607 8.121 0.486 19162 3489 1 13 . 1 1 4 4 ASN N N 4 118.255 118.255 120.094 -1.839 19162 3490 1 13 . 1 1 4 4 ASN C C 4 176.029 176.029 174.962 1.067 19162 3491 1 13 . 1 1 4 4 ASN CA C 4 54.712 54.712 53.958 0.754 19162 3492 1 13 . 1 1 4 4 ASN CB C 4 38.244 38.244 37.289 0.955 19162 3493 1 13 . 1 1 4 4 ASN H H 4 8.185 8.185 8.779 -0.594 19162 3494 1 13 . 1 1 5 5 VAL N N 5 119.998 119.998 114.373 5.625 19162 3495 1 13 . 1 1 5 5 VAL C C 5 177.259 177.259 176.617 0.642 19162 3496 1 13 . 1 1 5 5 VAL CA C 5 64.232 64.232 63.863 0.369 19162 3497 1 13 . 1 1 5 5 VAL CB C 5 31.524 31.524 32.072 -0.548 19162 3498 1 13 . 1 1 5 5 VAL H H 5 7.857 7.857 8.053 -0.196 19162 3499 1 13 . 1 1 6 6 ILE N N 6 122.474 122.474 122.245 0.229 19162 3500 1 13 . 1 1 6 6 ILE C C 6 177.009 177.009 177.771 -0.762 19162 3501 1 13 . 1 1 6 6 ILE CA C 6 63.400 63.400 65.267 -1.867 19162 3502 1 13 . 1 1 6 6 ILE CB C 6 37.177 37.177 37.620 -0.443 19162 3503 1 13 . 1 1 6 6 ILE H H 6 8.062 8.062 7.688 0.374 19162 3504 1 13 . 1 1 7 7 VAL N N 7 120.915 120.915 120.180 0.735 19162 3505 1 13 . 1 1 7 7 VAL C C 7 177.009 177.009 177.281 -0.272 19162 3506 1 13 . 1 1 7 7 VAL CA C 7 65.017 65.017 66.881 -1.864 19162 3507 1 13 . 1 1 7 7 VAL CB C 7 31.309 31.309 31.901 -0.592 19162 3508 1 13 . 1 1 7 7 VAL H H 7 7.993 7.993 7.493 0.500 19162 3509 1 13 . 1 1 8 8 LEU N N 8 121.098 121.098 119.235 1.863 19162 3510 1 13 . 1 1 8 8 LEU C C 8 178.655 178.655 179.001 -0.346 19162 3511 1 13 . 1 1 8 8 LEU CA C 8 56.781 56.781 57.992 -1.211 19162 3512 1 13 . 1 1 8 8 LEU CB C 8 41.010 41.010 41.326 -0.316 19162 3513 1 13 . 1 1 8 8 LEU H H 8 8.061 8.061 7.242 0.819 19162 3514 1 13 . 1 1 9 9 ASN N N 9 118.347 118.347 117.623 0.724 19162 3515 1 13 . 1 1 9 9 ASN C C 9 176.695 176.695 177.228 -0.533 19162 3516 1 13 . 1 1 9 9 ASN CA C 9 54.919 54.919 56.117 -1.198 19162 3517 1 13 . 1 1 9 9 ASN CB C 9 38.674 38.674 38.214 0.460 19162 3518 1 13 . 1 1 9 9 ASN H H 9 8.102 8.102 7.702 0.400 19162 3519 1 13 . 1 1 10 10 ALA N N 10 124.124 124.124 122.028 2.096 19162 3520 1 13 . 1 1 10 10 ALA C C 10 178.263 178.263 179.428 -1.165 19162 3521 1 13 . 1 1 10 10 ALA CA C 10 54.505 54.505 54.975 -0.470 19162 3522 1 13 . 1 1 10 10 ALA CB C 10 17.942 17.942 18.121 -0.179 19162 3523 1 13 . 1 1 10 10 ALA H H 10 8.388 8.388 7.764 0.624 19162 3524 1 13 . 1 1 11 11 ALA N N 11 119.814 119.814 120.484 -0.670 19162 3525 1 13 . 1 1 11 11 ALA C C 11 179.204 179.204 179.527 -0.323 19162 3526 1 13 . 1 1 11 11 ALA CA C 11 54.298 54.298 54.984 -0.686 19162 3527 1 13 . 1 1 11 11 ALA CB C 11 17.942 17.942 17.868 0.074 19162 3528 1 13 . 1 1 11 11 ALA H H 11 8.279 8.279 7.850 0.429 19162 3529 1 13 . 1 1 12 12 SER N N 12 113.303 113.303 114.411 -1.108 19162 3530 1 13 . 1 1 12 12 SER C C 12 175.873 175.873 176.480 -0.607 19162 3531 1 13 . 1 1 12 12 SER CA C 12 60.140 60.140 61.018 -0.878 19162 3532 1 13 . 1 1 12 12 SER CB C 12 63.221 63.221 62.890 0.331 19162 3533 1 13 . 1 1 12 12 SER H H 12 7.952 7.952 7.601 0.351 19162 3534 1 13 . 1 1 13 13 ALA N N 13 124.308 124.308 123.414 0.894 19162 3535 1 13 . 1 1 13 13 ALA C C 13 178.420 178.420 179.190 -0.770 19162 3536 1 13 . 1 1 13 13 ALA CA C 13 53.470 53.470 54.848 -1.378 19162 3537 1 13 . 1 1 13 13 ALA CB C 13 18.373 18.373 18.131 0.242 19162 3538 1 13 . 1 1 13 13 ALA H H 13 7.924 7.924 7.675 0.249 19162 3539 1 13 . 1 1 14 14 ALA N N 14 119.998 119.998 120.752 -0.754 19162 3540 1 13 . 1 1 14 14 ALA C C 14 178.420 178.420 179.170 -0.750 19162 3541 1 13 . 1 1 14 14 ALA CA C 14 53.263 53.263 54.832 -1.569 19162 3542 1 13 . 1 1 14 14 ALA CB C 14 18.373 18.373 18.408 -0.035 19162 3543 1 13 . 1 1 14 14 ALA H H 14 7.965 7.965 7.620 0.345 19162 3544 1 13 . 1 1 15 15 GLY N N 15 105.417 105.417 105.986 -0.569 19162 3545 1 13 . 1 1 15 15 GLY C C 15 174.422 174.422 175.901 -1.479 19162 3546 1 13 . 1 1 15 15 GLY CA C 15 45.605 45.605 46.568 -0.963 19162 3547 1 13 . 1 1 15 15 GLY H H 15 8.020 8.020 7.616 0.404 19162 3548 1 13 . 1 1 16 16 ASN N N 16 118.989 118.989 117.987 1.002 19162 3549 1 13 . 1 1 16 16 ASN C C 16 175.598 175.598 175.786 -0.188 19162 3550 1 13 . 1 1 16 16 ASN CA C 16 53.677 53.677 54.144 -0.467 19162 3551 1 13 . 1 1 16 16 ASN CB C 16 38.621 38.621 38.191 0.430 19162 3552 1 13 . 1 1 16 16 ASN H H 16 8.156 8.156 7.457 0.699 19162 3553 1 13 . 1 1 17 17 HIS N N 17 119.081 119.081 121.705 -2.624 19162 3554 1 13 . 1 1 17 17 HIS C C 17 176.068 176.068 174.654 1.414 19162 3555 1 13 . 1 1 17 17 HIS CA C 17 56.781 56.781 57.645 -0.864 19162 3556 1 13 . 1 1 17 17 HIS CB C 17 29.942 29.942 28.965 0.977 19162 3557 1 13 . 1 1 17 17 HIS H H 17 8.322 8.322 7.602 0.720 19162 3558 1 13 . 1 1 18 18 GLY N N 18 109.543 109.543 113.293 -3.750 19162 3559 1 13 . 1 1 18 18 GLY C C 18 175.206 175.206 174.096 1.110 19162 3560 1 13 . 1 1 18 18 GLY CA C 18 47.054 47.054 44.941 2.113 19162 3561 1 13 . 1 1 18 18 GLY H H 18 8.607 8.607 7.624 0.983 19162 3562 1 13 . 1 1 19 19 PHE N N 19 120.640 120.640 125.225 -4.585 19162 3563 1 13 . 1 1 19 19 PHE C C 19 176.695 176.695 175.141 1.554 19162 3564 1 13 . 1 1 19 19 PHE CA C 19 60.507 60.507 60.617 -0.110 19162 3565 1 13 . 1 1 19 19 PHE CB C 19 38.638 38.638 39.149 -0.511 19162 3566 1 13 . 1 1 19 19 PHE H H 19 8.716 8.716 8.602 0.114 19162 3567 1 13 . 1 1 20 20 PHE N N 20 118.989 118.989 116.770 2.219 19162 3568 1 13 . 1 1 20 20 PHE C C 20 176.617 176.617 177.692 -1.075 19162 3569 1 13 . 1 1 20 20 PHE CA C 20 61.334 61.334 61.336 -0.001 19162 3570 1 13 . 1 1 20 20 PHE CB C 20 38.460 38.460 38.368 0.092 19162 3571 1 13 . 1 1 20 20 PHE H H 20 8.143 8.143 8.172 -0.029 19162 3572 1 13 . 1 1 21 21 TRP N N 21 118.897 118.897 120.849 -1.952 19162 3573 1 13 . 1 1 21 21 TRP C C 21 178.577 178.577 178.294 0.283 19162 3574 1 13 . 1 1 21 21 TRP CA C 21 59.691 59.691 59.609 0.082 19162 3575 1 13 . 1 1 21 21 TRP CB C 21 29.636 29.636 30.017 -0.381 19162 3576 1 13 . 1 1 21 21 TRP H H 21 7.911 7.911 8.870 -0.959 19162 3577 1 13 . 1 1 22 22 GLY N N 22 105.692 105.692 106.776 -1.084 19162 3578 1 13 . 1 1 22 22 GLY C C 22 174.657 174.657 175.641 -0.984 19162 3579 1 13 . 1 1 22 22 GLY CA C 22 47.261 47.261 46.908 0.353 19162 3580 1 13 . 1 1 22 22 GLY H H 22 8.306 8.306 7.696 0.610 19162 3581 1 13 . 1 1 23 23 LEU N N 23 121.557 121.557 121.219 0.338 19162 3582 1 13 . 1 1 23 23 LEU C C 23 179.752 179.752 178.982 0.770 19162 3583 1 13 . 1 1 23 23 LEU CA C 23 57.402 57.402 56.992 0.410 19162 3584 1 13 . 1 1 23 23 LEU CB C 23 40.579 40.579 41.512 -0.933 19162 3585 1 13 . 1 1 23 23 LEU H H 23 7.993 7.993 7.308 0.685 19162 3586 1 13 . 1 1 24 24 LEU N N 24 122.382 122.382 120.509 1.873 19162 3587 1 13 . 1 1 24 24 LEU C C 24 178.185 178.185 178.483 -0.298 19162 3588 1 13 . 1 1 24 24 LEU CA C 24 58.437 58.437 57.426 1.011 19162 3589 1 13 . 1 1 24 24 LEU CB C 24 40.439 40.439 41.099 -0.660 19162 3590 1 13 . 1 1 24 24 LEU H H 24 8.047 8.047 7.093 0.954 19162 3591 1 13 . 1 1 25 25 VAL N N 25 118.255 118.255 118.505 -0.250 19162 3592 1 13 . 1 1 25 25 VAL C C 25 177.636 177.636 178.085 -0.449 19162 3593 1 13 . 1 1 25 25 VAL CA C 25 67.129 67.129 66.900 0.229 19162 3594 1 13 . 1 1 25 25 VAL CB C 25 30.813 30.813 31.229 -0.416 19162 3595 1 13 . 1 1 25 25 VAL H H 25 8.102 8.102 7.039 1.063 19162 3596 1 13 . 1 1 26 26 VAL N N 26 118.072 118.072 118.969 -0.897 19162 3597 1 13 . 1 1 26 26 VAL C C 26 177.322 177.322 177.856 -0.534 19162 3598 1 13 . 1 1 26 26 VAL CA C 26 66.686 66.686 66.850 -0.164 19162 3599 1 13 . 1 1 26 26 VAL CB C 26 30.653 30.653 31.495 -0.842 19162 3600 1 13 . 1 1 26 26 VAL H H 26 8.088 8.088 7.355 0.733 19162 3601 1 13 . 1 1 27 27 THR N N 27 116.788 116.788 114.966 1.822 19162 3602 1 13 . 1 1 27 27 THR C C 27 177.322 177.322 176.620 0.702 19162 3603 1 13 . 1 1 27 27 THR CA C 27 67.750 67.750 66.179 1.571 19162 3604 1 13 . 1 1 27 27 THR H H 27 8.047 8.047 8.083 -0.036 19162 3605 1 13 . 1 1 28 28 LEU N N 28 122.932 122.932 122.940 -0.008 19162 3606 1 13 . 1 1 28 28 LEU C C 28 178.499 178.499 177.880 0.619 19162 3607 1 13 . 1 1 28 28 LEU CA C 28 58.230 58.230 57.729 0.501 19162 3608 1 13 . 1 1 28 28 LEU CB C 28 40.794 40.794 41.450 -0.656 19162 3609 1 13 . 1 1 28 28 LEU H H 28 8.429 8.429 7.832 0.597 19162 3610 1 13 . 1 1 29 29 ALA N N 29 121.190 121.190 121.957 -0.767 19162 3611 1 13 . 1 1 29 29 ALA C C 29 178.890 178.890 179.479 -0.589 19162 3612 1 13 . 1 1 29 29 ALA CA C 29 55.333 55.333 54.886 0.447 19162 3613 1 13 . 1 1 29 29 ALA CB C 29 17.727 17.727 18.218 -0.491 19162 3614 1 13 . 1 1 29 29 ALA H H 29 8.607 8.607 7.622 0.985 19162 3615 1 13 . 1 1 30 30 TRP N N 30 118.622 118.622 119.422 -0.800 19162 3616 1 13 . 1 1 30 30 TRP C C 30 178.420 178.420 178.866 -0.446 19162 3617 1 13 . 1 1 30 30 TRP CA C 30 60.300 60.300 60.662 -0.362 19162 3618 1 13 . 1 1 30 30 TRP CB C 30 28.937 28.937 29.494 -0.557 19162 3619 1 13 . 1 1 30 30 TRP H H 30 8.538 8.538 7.982 0.556 19162 3620 1 13 . 1 1 31 31 HIS N N 31 117.888 117.888 120.028 -2.140 19162 3621 1 13 . 1 1 31 31 HIS C C 31 177.949 177.949 177.619 0.330 19162 3622 1 13 . 1 1 31 31 HIS CA C 31 59.886 59.886 60.248 -0.362 19162 3623 1 13 . 1 1 31 31 HIS CB C 31 30.015 30.015 30.472 -0.457 19162 3624 1 13 . 1 1 31 31 HIS H H 31 8.238 8.238 8.135 0.103 19162 3625 1 13 . 1 1 32 32 VAL N N 32 116.788 116.788 115.098 1.690 19162 3626 1 13 . 1 1 32 32 VAL C C 32 177.401 177.401 177.027 0.374 19162 3627 1 13 . 1 1 32 32 VAL CA C 32 64.853 64.853 64.714 0.139 19162 3628 1 13 . 1 1 32 32 VAL CB C 32 30.877 30.877 31.181 -0.304 19162 3629 1 13 . 1 1 32 32 VAL H H 32 8.429 8.429 7.728 0.701 19162 3630 1 13 . 1 1 33 33 LYS N N 33 120.548 120.548 121.024 -0.476 19162 3631 1 13 . 1 1 33 33 LYS C C 33 177.636 177.636 178.943 -1.307 19162 3632 1 13 . 1 1 33 33 LYS CA C 33 58.851 58.851 59.880 -1.029 19162 3633 1 13 . 1 1 33 33 LYS CB C 33 31.134 31.134 31.714 -0.580 19162 3634 1 13 . 1 1 33 33 LYS H H 33 8.047 8.047 7.532 0.515 19162 3635 1 13 . 1 1 34 34 GLY N N 34 106.701 106.701 104.834 1.867 19162 3636 1 13 . 1 1 34 34 GLY C C 34 174.814 174.814 176.125 -1.311 19162 3637 1 13 . 1 1 34 34 GLY CA C 34 46.019 46.019 46.446 -0.427 19162 3638 1 13 . 1 1 34 34 GLY H H 34 7.938 7.938 7.878 0.060 19162 3639 1 13 . 1 1 35 35 ARG N N 35 118.164 118.164 121.509 -3.345 19162 3640 1 13 . 1 1 35 35 ARG C C 35 176.460 176.460 178.356 -1.896 19162 3641 1 13 . 1 1 35 35 ARG CA C 35 55.954 55.954 58.636 -2.682 19162 3642 1 13 . 1 1 35 35 ARG CB C 35 29.799 29.799 30.003 -0.204 19162 3643 1 13 . 1 1 35 35 ARG H H 35 7.624 7.624 7.454 0.170 19162 3644 1 13 . 1 1 36 36 LEU N N 36 118.897 118.897 119.951 -1.054 19162 3645 1 13 . 1 1 36 36 LEU C C 36 176.539 176.539 178.327 -1.788 19162 3646 1 13 . 1 1 36 36 LEU CA C 36 55.540 55.540 57.927 -2.387 19162 3647 1 13 . 1 1 36 36 LEU CB C 36 42.303 42.303 41.990 0.313 19162 3648 1 13 . 1 1 36 36 LEU H H 36 7.720 7.720 8.182 -0.462 19162 3649 1 13 . 1 1 37 37 VAL N N 37 118.530 118.530 117.644 0.886 19162 3650 1 13 . 1 1 37 37 VAL C C 37 173.804 173.804 175.710 -1.906 19162 3651 1 13 . 1 1 37 37 VAL CA C 37 59.472 59.472 67.251 -7.779 19162 3652 1 13 . 1 1 37 37 VAL CB C 37 31.722 31.722 28.427 3.295 19162 3653 1 13 . 1 1 37 37 VAL H H 37 7.911 7.911 7.519 0.392 19162 3654 1 13 . 1 1 38 38 PRO C C 38 177.636 177.636 178.622 -0.986 19162 3655 1 13 . 1 1 38 38 PRO CA C 38 63.611 63.611 65.058 -1.448 19162 3656 1 13 . 1 1 38 38 PRO CB C 38 31.093 31.093 31.323 -0.230 19162 3657 1 13 . 1 1 39 39 GLY N N 39 109.268 109.268 107.027 2.241 19162 3658 1 13 . 1 1 39 39 GLY C C 39 174.422 174.422 175.686 -1.264 19162 3659 1 13 . 1 1 39 39 GLY CA C 39 45.192 45.192 45.961 -0.769 19162 3660 1 13 . 1 1 39 39 GLY H H 39 8.525 8.525 7.897 0.628 19162 3661 1 13 . 1 1 40 40 ALA N N 40 123.391 123.391 124.317 -0.926 19162 3662 1 13 . 1 1 40 40 ALA C C 40 178.028 178.028 178.166 -0.138 19162 3663 1 13 . 1 1 40 40 ALA CA C 40 52.642 52.642 53.625 -0.983 19162 3664 1 13 . 1 1 40 40 ALA CB C 40 18.804 18.804 18.871 -0.067 19162 3665 1 13 . 1 1 40 40 ALA H H 40 7.965 7.965 7.584 0.381 19162 3666 1 13 . 1 1 41 41 THR N N 41 113.028 113.028 113.272 -0.244 19162 3667 1 13 . 1 1 41 41 THR C C 41 175.363 175.363 173.675 1.688 19162 3668 1 13 . 1 1 41 41 THR CA C 41 62.162 62.162 63.270 -1.108 19162 3669 1 13 . 1 1 41 41 THR CB C 41 69.467 69.467 67.916 1.551 19162 3670 1 13 . 1 1 41 41 THR H H 41 8.115 8.115 7.555 0.560 19162 3671 1 13 . 1 1 42 42 TYR N N 42 121.373 121.373 123.653 -2.280 19162 3672 1 13 . 1 1 42 42 TYR C C 42 176.303 176.303 174.169 2.134 19162 3673 1 13 . 1 1 42 42 TYR CA C 42 59.473 59.473 57.108 2.365 19162 3674 1 13 . 1 1 42 42 TYR CB C 42 37.992 37.992 38.237 -0.245 19162 3675 1 13 . 1 1 42 42 TYR H H 42 8.429 8.429 7.571 0.858 19162 3676 1 13 . 1 1 43 43 LEU N N 43 119.906 119.906 123.693 -3.787 19162 3677 1 13 . 1 1 43 43 LEU C C 43 177.405 177.405 176.056 1.349 19162 3678 1 13 . 1 1 43 43 LEU CA C 43 55.540 55.540 55.588 -0.048 19162 3679 1 13 . 1 1 43 43 LEU CB C 43 41.455 41.455 42.746 -1.291 19162 3680 1 13 . 1 1 43 43 LEU H H 43 7.899 7.899 8.462 -0.563 19162 3681 1 13 . 1 1 44 44 SER N N 44 115.779 115.779 114.147 1.632 19162 3682 1 13 . 1 1 44 44 SER C C 44 175.049 175.049 174.062 0.987 19162 3683 1 13 . 1 1 44 44 SER CA C 44 59.058 59.058 57.812 1.246 19162 3684 1 13 . 1 1 44 44 SER CB C 44 63.649 63.649 63.948 -0.299 19162 3685 1 13 . 1 1 44 44 SER H H 44 7.979 7.979 8.217 -0.238 19162 3686 1 13 . 1 1 45 45 LEU N N 45 122.199 122.199 127.527 -5.328 19162 3687 1 13 . 1 1 45 45 LEU C C 45 177.322 177.322 178.601 -1.279 19162 3688 1 13 . 1 1 45 45 LEU CA C 45 55.747 55.747 55.096 0.651 19162 3689 1 13 . 1 1 45 45 LEU CB C 45 41.441 41.441 41.655 -0.214 19162 3690 1 13 . 1 1 45 45 LEU H H 45 8.211 8.211 8.954 -0.743 19162 3691 1 13 . 1 1 46 46 GLY N N 46 105.325 105.325 108.522 -3.197 19162 3692 1 13 . 1 1 46 46 GLY C C 46 174.422 174.422 175.152 -0.730 19162 3693 1 13 . 1 1 46 46 GLY CA C 46 45.812 45.812 45.338 0.474 19162 3694 1 13 . 1 1 46 46 GLY H H 46 8.129 8.129 8.403 -0.274 19162 3695 1 13 . 1 1 47 47 VAL N N 47 117.063 117.063 116.105 0.958 19162 3696 1 13 . 1 1 47 47 VAL C C 47 177.087 177.087 176.419 0.668 19162 3697 1 13 . 1 1 47 47 VAL CA C 47 62.783 62.783 62.451 0.332 19162 3698 1 13 . 1 1 47 47 VAL CB C 47 31.524 31.524 32.754 -1.230 19162 3699 1 13 . 1 1 47 47 VAL H H 47 7.897 7.897 7.642 0.255 19162 3700 1 13 . 1 1 48 48 TRP N N 48 121.465 121.465 124.939 -3.474 19162 3701 1 13 . 1 1 48 48 TRP C C 48 175.284 175.284 175.466 -0.182 19162 3702 1 13 . 1 1 48 48 TRP CA C 48 60.921 60.921 61.766 -0.845 19162 3703 1 13 . 1 1 48 48 TRP CB C 48 27.644 27.644 27.445 0.199 19162 3704 1 13 . 1 1 48 48 TRP H H 48 7.938 7.938 8.608 -0.670 19162 3705 1 13 . 1 1 49 49 PRO C C 49 177.610 177.610 178.434 -0.824 19162 3706 1 13 . 1 1 49 49 PRO CA C 49 65.888 65.888 64.975 0.913 19162 3707 1 13 . 1 1 49 49 PRO CB C 49 30.599 30.599 31.615 -1.016 19162 3708 1 13 . 1 1 50 50 LEU N N 50 115.596 115.596 119.626 -4.030 19162 3709 1 13 . 1 1 50 50 LEU C C 50 179.125 179.125 179.195 -0.070 19162 3710 1 13 . 1 1 50 50 LEU CA C 50 57.195 57.195 57.390 -0.195 19162 3711 1 13 . 1 1 50 50 LEU CB C 50 40.579 40.579 41.108 -0.529 19162 3712 1 13 . 1 1 50 50 LEU H H 50 7.215 7.215 8.020 -0.805 19162 3713 1 13 . 1 1 51 51 LEU N N 51 119.906 119.906 119.432 0.474 19162 3714 1 13 . 1 1 51 51 LEU C C 51 178.812 178.812 178.720 0.092 19162 3715 1 13 . 1 1 51 51 LEU CA C 51 57.402 57.402 58.115 -0.713 19162 3716 1 13 . 1 1 51 51 LEU CB C 51 41.027 41.027 41.695 -0.668 19162 3717 1 13 . 1 1 51 51 LEU H H 51 7.856 7.856 7.611 0.245 19162 3718 1 13 . 1 1 52 52 LEU N N 52 117.980 117.980 118.657 -0.677 19162 3719 1 13 . 1 1 52 52 LEU C C 52 178.655 178.655 179.234 -0.579 19162 3720 1 13 . 1 1 52 52 LEU CA C 52 57.753 57.753 57.879 -0.126 19162 3721 1 13 . 1 1 52 52 LEU CB C 52 40.974 40.974 41.248 -0.274 19162 3722 1 13 . 1 1 52 52 LEU H H 52 7.965 7.965 7.490 0.475 19162 3723 1 13 . 1 1 53 53 VAL N N 53 117.063 117.063 118.781 -1.718 19162 3724 1 13 . 1 1 53 53 VAL C C 53 177.636 177.636 178.042 -0.406 19162 3725 1 13 . 1 1 53 53 VAL CA C 53 66.302 66.302 66.188 0.114 19162 3726 1 13 . 1 1 53 53 VAL CB C 53 30.877 30.877 30.921 -0.044 19162 3727 1 13 . 1 1 53 53 VAL H H 53 7.774 7.774 8.057 -0.283 19162 3728 1 13 . 1 1 54 54 ARG N N 54 118.439 118.439 119.760 -1.321 19162 3729 1 13 . 1 1 54 54 ARG C C 54 178.263 178.263 178.204 0.059 19162 3730 1 13 . 1 1 54 54 ARG CA C 54 58.230 58.230 59.400 -1.170 19162 3731 1 13 . 1 1 54 54 ARG CB C 54 29.368 29.368 29.968 -0.600 19162 3732 1 13 . 1 1 54 54 ARG H H 54 7.665 7.665 7.797 -0.132 19162 3733 1 13 . 1 1 55 55 LEU N N 55 117.888 117.888 117.911 -0.023 19162 3734 1 13 . 1 1 55 55 LEU C C 55 177.649 177.649 179.175 -1.526 19162 3735 1 13 . 1 1 55 55 LEU CA C 55 56.521 56.521 57.225 -0.704 19162 3736 1 13 . 1 1 55 55 LEU CB C 55 42.097 42.097 41.699 0.398 19162 3737 1 13 . 1 1 55 55 LEU H H 55 7.789 7.789 7.572 0.217 19162 3738 1 13 . 1 1 56 56 LEU N N 56 116.146 116.146 117.516 -1.370 19162 3739 1 13 . 1 1 56 56 LEU C C 56 176.930 176.930 179.054 -2.124 19162 3740 1 13 . 1 1 56 56 LEU CA C 56 55.333 55.333 56.831 -1.498 19162 3741 1 13 . 1 1 56 56 LEU CB C 56 41.990 41.990 40.943 1.048 19162 3742 1 13 . 1 1 56 56 LEU H H 56 7.693 7.693 7.339 0.354 19162 3743 1 13 . 1 1 57 57 ARG N N 57 118.897 118.897 120.147 -1.250 19162 3744 1 13 . 1 1 57 57 ARG C C 57 173.795 173.795 176.064 -2.269 19162 3745 1 13 . 1 1 57 57 ARG CA C 57 54.919 54.919 59.544 -4.625 19162 3746 1 13 . 1 1 57 57 ARG CB C 57 29.153 29.153 29.021 0.132 19162 3747 1 13 . 1 1 57 57 ARG H H 57 7.856 7.856 8.209 -0.353 19162 3748 1 13 . 1 1 58 58 PRO C C 58 177.009 177.009 176.628 0.381 19162 3749 1 13 . 1 1 58 58 PRO CA C 58 63.611 63.611 63.545 0.066 19162 3750 1 13 . 1 1 58 58 PRO CB C 58 31.027 31.027 31.782 -0.755 19162 3751 1 13 . 1 1 59 59 HIS N N 59 119.264 119.264 116.693 2.571 19162 3752 1 13 . 1 1 59 59 HIS C C 59 175.520 175.520 174.003 1.517 19162 3753 1 13 . 1 1 59 59 HIS CA C 59 56.574 56.574 56.597 -0.023 19162 3754 1 13 . 1 1 59 59 HIS CB C 59 30.446 30.446 30.392 0.054 19162 3755 1 13 . 1 1 59 59 HIS H H 59 8.375 8.375 8.079 0.296 19162 3756 1 13 . 1 1 60 60 ARG N N 60 122.382 122.382 119.357 3.025 19162 3757 1 13 . 1 1 60 60 ARG C C 60 175.598 175.598 174.535 1.063 19162 3758 1 13 . 1 1 60 60 ARG CA C 60 55.751 55.751 55.856 -0.105 19162 3759 1 13 . 1 1 60 60 ARG CB C 60 30.064 30.064 31.669 -1.605 19162 3760 1 13 . 1 1 60 60 ARG H H 60 7.980 7.980 7.758 0.222 19162 3761 1 13 . 1 1 61 61 ALA N N 61 125.041 125.041 126.653 -1.612 19162 3762 1 13 . 1 1 61 61 ALA C C 61 177.401 177.401 177.818 -0.417 19162 3763 1 13 . 1 1 61 61 ALA CA C 61 52.228 52.228 52.738 -0.510 19162 3764 1 13 . 1 1 61 61 ALA CB C 61 18.804 18.804 18.716 0.088 19162 3765 1 13 . 1 1 61 61 ALA H H 61 8.320 8.320 8.717 -0.397 19162 3766 1 13 . 1 1 62 62 LEU N N 62 121.281 121.281 119.343 1.938 19162 3767 1 13 . 1 1 62 62 LEU C C 62 175.911 175.911 177.147 -1.236 19162 3768 1 13 . 1 1 62 62 LEU CA C 62 54.919 54.919 54.079 0.840 19162 3769 1 13 . 1 1 62 62 LEU CB C 62 41.657 41.657 40.870 0.787 19162 3770 1 13 . 1 1 62 62 LEU H H 62 8.115 8.115 8.069 0.046 19162 3771 1 14 . 1 1 2 2 ALA C C 2 178.255 178.255 177.272 0.983 19162 3772 1 14 . 1 1 2 2 ALA CA C 2 53.263 53.263 52.714 0.549 19162 3773 1 14 . 1 1 2 2 ALA CB C 2 18.411 18.411 18.889 -0.478 19162 3774 1 14 . 1 1 3 3 LYS N N 3 119.081 119.081 117.264 1.817 19162 3775 1 14 . 1 1 3 3 LYS C C 3 176.752 176.752 176.434 0.318 19162 3776 1 14 . 1 1 3 3 LYS CA C 3 57.816 57.816 56.930 0.886 19162 3777 1 14 . 1 1 3 3 LYS CB C 3 31.751 31.751 32.819 -1.068 19162 3778 1 14 . 1 1 3 3 LYS H H 3 8.607 8.607 8.108 0.499 19162 3779 1 14 . 1 1 4 4 ASN N N 4 118.255 118.255 119.203 -0.948 19162 3780 1 14 . 1 1 4 4 ASN C C 4 176.029 176.029 177.149 -1.120 19162 3781 1 14 . 1 1 4 4 ASN CA C 4 54.712 54.712 56.039 -1.327 19162 3782 1 14 . 1 1 4 4 ASN CB C 4 38.244 38.244 38.031 0.213 19162 3783 1 14 . 1 1 4 4 ASN H H 4 8.185 8.185 8.680 -0.495 19162 3784 1 14 . 1 1 5 5 VAL N N 5 119.998 119.998 119.763 0.235 19162 3785 1 14 . 1 1 5 5 VAL C C 5 177.259 177.259 177.743 -0.484 19162 3786 1 14 . 1 1 5 5 VAL CA C 5 64.232 64.232 65.970 -1.738 19162 3787 1 14 . 1 1 5 5 VAL CB C 5 31.524 31.524 31.031 0.493 19162 3788 1 14 . 1 1 5 5 VAL H H 5 7.857 7.857 7.573 0.284 19162 3789 1 14 . 1 1 6 6 ILE N N 6 122.474 122.474 119.527 2.947 19162 3790 1 14 . 1 1 6 6 ILE C C 6 177.009 177.009 178.419 -1.410 19162 3791 1 14 . 1 1 6 6 ILE CA C 6 63.400 63.400 64.698 -1.298 19162 3792 1 14 . 1 1 6 6 ILE CB C 6 37.177 37.177 37.420 -0.243 19162 3793 1 14 . 1 1 6 6 ILE H H 6 8.062 8.062 7.149 0.913 19162 3794 1 14 . 1 1 7 7 VAL N N 7 120.915 120.915 119.383 1.532 19162 3795 1 14 . 1 1 7 7 VAL C C 7 177.009 177.009 178.164 -1.155 19162 3796 1 14 . 1 1 7 7 VAL CA C 7 65.017 65.017 66.764 -1.747 19162 3797 1 14 . 1 1 7 7 VAL CB C 7 31.309 31.309 30.818 0.491 19162 3798 1 14 . 1 1 7 7 VAL H H 7 7.993 7.993 8.417 -0.424 19162 3799 1 14 . 1 1 8 8 LEU N N 8 121.098 121.098 119.947 1.151 19162 3800 1 14 . 1 1 8 8 LEU C C 8 178.655 178.655 178.784 -0.129 19162 3801 1 14 . 1 1 8 8 LEU CA C 8 56.781 56.781 58.458 -1.677 19162 3802 1 14 . 1 1 8 8 LEU CB C 8 41.010 41.010 41.444 -0.434 19162 3803 1 14 . 1 1 8 8 LEU H H 8 8.061 8.061 7.558 0.503 19162 3804 1 14 . 1 1 9 9 ASN N N 9 118.347 118.347 117.052 1.295 19162 3805 1 14 . 1 1 9 9 ASN C C 9 176.695 176.695 177.107 -0.412 19162 3806 1 14 . 1 1 9 9 ASN CA C 9 54.919 54.919 56.293 -1.374 19162 3807 1 14 . 1 1 9 9 ASN CB C 9 38.674 38.674 38.334 0.340 19162 3808 1 14 . 1 1 9 9 ASN H H 9 8.102 8.102 7.529 0.573 19162 3809 1 14 . 1 1 10 10 ALA N N 10 124.124 124.124 121.957 2.167 19162 3810 1 14 . 1 1 10 10 ALA C C 10 178.263 178.263 179.323 -1.060 19162 3811 1 14 . 1 1 10 10 ALA CA C 10 54.505 54.505 54.893 -0.388 19162 3812 1 14 . 1 1 10 10 ALA CB C 10 17.942 17.942 18.155 -0.214 19162 3813 1 14 . 1 1 10 10 ALA H H 10 8.388 8.388 7.612 0.776 19162 3814 1 14 . 1 1 11 11 ALA N N 11 119.814 119.814 119.497 0.317 19162 3815 1 14 . 1 1 11 11 ALA C C 11 179.204 179.204 179.440 -0.236 19162 3816 1 14 . 1 1 11 11 ALA CA C 11 54.298 54.298 55.026 -0.728 19162 3817 1 14 . 1 1 11 11 ALA CB C 11 17.942 17.942 17.956 -0.014 19162 3818 1 14 . 1 1 11 11 ALA H H 11 8.279 8.279 7.863 0.416 19162 3819 1 14 . 1 1 12 12 SER N N 12 113.303 113.303 114.666 -1.363 19162 3820 1 14 . 1 1 12 12 SER C C 12 175.873 175.873 176.358 -0.485 19162 3821 1 14 . 1 1 12 12 SER CA C 12 60.140 60.140 61.303 -1.163 19162 3822 1 14 . 1 1 12 12 SER CB C 12 63.221 63.221 62.762 0.459 19162 3823 1 14 . 1 1 12 12 SER H H 12 7.952 7.952 7.477 0.475 19162 3824 1 14 . 1 1 13 13 ALA N N 13 124.308 124.308 122.968 1.340 19162 3825 1 14 . 1 1 13 13 ALA C C 13 178.420 178.420 178.728 -0.308 19162 3826 1 14 . 1 1 13 13 ALA CA C 13 53.470 53.470 54.749 -1.279 19162 3827 1 14 . 1 1 13 13 ALA CB C 13 18.373 18.373 18.298 0.075 19162 3828 1 14 . 1 1 13 13 ALA H H 13 7.924 7.924 7.408 0.516 19162 3829 1 14 . 1 1 14 14 ALA N N 14 119.998 119.998 119.485 0.513 19162 3830 1 14 . 1 1 14 14 ALA C C 14 178.420 178.420 179.531 -1.111 19162 3831 1 14 . 1 1 14 14 ALA CA C 14 53.263 53.263 53.687 -0.424 19162 3832 1 14 . 1 1 14 14 ALA CB C 14 18.373 18.373 18.372 0.001 19162 3833 1 14 . 1 1 14 14 ALA H H 14 7.965 7.965 7.262 0.703 19162 3834 1 14 . 1 1 15 15 GLY N N 15 105.417 105.417 106.814 -1.397 19162 3835 1 14 . 1 1 15 15 GLY C C 15 174.422 174.422 175.877 -1.455 19162 3836 1 14 . 1 1 15 15 GLY CA C 15 45.605 45.605 46.334 -0.729 19162 3837 1 14 . 1 1 15 15 GLY H H 15 8.020 8.020 7.727 0.293 19162 3838 1 14 . 1 1 16 16 ASN N N 16 118.989 118.989 118.552 0.437 19162 3839 1 14 . 1 1 16 16 ASN C C 16 175.598 175.598 176.432 -0.834 19162 3840 1 14 . 1 1 16 16 ASN CA C 16 53.677 53.677 54.407 -0.730 19162 3841 1 14 . 1 1 16 16 ASN CB C 16 38.621 38.621 38.408 0.212 19162 3842 1 14 . 1 1 16 16 ASN H H 16 8.156 8.156 7.483 0.673 19162 3843 1 14 . 1 1 17 17 HIS N N 17 119.081 119.081 119.962 -0.881 19162 3844 1 14 . 1 1 17 17 HIS C C 17 176.068 176.068 175.244 0.824 19162 3845 1 14 . 1 1 17 17 HIS CA C 17 56.781 56.781 57.449 -0.668 19162 3846 1 14 . 1 1 17 17 HIS CB C 17 29.942 29.942 27.504 2.438 19162 3847 1 14 . 1 1 17 17 HIS H H 17 8.322 8.322 7.666 0.656 19162 3848 1 14 . 1 1 18 18 GLY N N 18 109.543 109.543 111.501 -1.958 19162 3849 1 14 . 1 1 18 18 GLY C C 18 175.206 175.206 174.193 1.013 19162 3850 1 14 . 1 1 18 18 GLY CA C 18 47.054 47.054 45.217 1.837 19162 3851 1 14 . 1 1 18 18 GLY H H 18 8.607 8.607 7.935 0.672 19162 3852 1 14 . 1 1 19 19 PHE N N 19 120.640 120.640 125.822 -5.182 19162 3853 1 14 . 1 1 19 19 PHE C C 19 176.695 176.695 176.286 0.409 19162 3854 1 14 . 1 1 19 19 PHE CA C 19 60.507 60.507 59.959 0.548 19162 3855 1 14 . 1 1 19 19 PHE CB C 19 38.638 38.638 38.981 -0.343 19162 3856 1 14 . 1 1 19 19 PHE H H 19 8.716 8.716 8.979 -0.263 19162 3857 1 14 . 1 1 20 20 PHE N N 20 118.989 118.989 117.075 1.914 19162 3858 1 14 . 1 1 20 20 PHE C C 20 176.617 176.617 177.815 -1.198 19162 3859 1 14 . 1 1 20 20 PHE CA C 20 61.334 61.334 61.493 -0.159 19162 3860 1 14 . 1 1 20 20 PHE CB C 20 38.460 38.460 38.199 0.261 19162 3861 1 14 . 1 1 20 20 PHE H H 20 8.143 8.143 8.209 -0.066 19162 3862 1 14 . 1 1 21 21 TRP N N 21 118.897 118.897 121.221 -2.324 19162 3863 1 14 . 1 1 21 21 TRP C C 21 178.577 178.577 178.345 0.232 19162 3864 1 14 . 1 1 21 21 TRP CA C 21 59.691 59.691 59.732 -0.041 19162 3865 1 14 . 1 1 21 21 TRP CB C 21 29.636 29.636 30.039 -0.403 19162 3866 1 14 . 1 1 21 21 TRP H H 21 7.911 7.911 8.382 -0.471 19162 3867 1 14 . 1 1 22 22 GLY N N 22 105.692 105.692 106.981 -1.289 19162 3868 1 14 . 1 1 22 22 GLY C C 22 174.657 174.657 175.677 -1.020 19162 3869 1 14 . 1 1 22 22 GLY CA C 22 47.261 47.261 46.871 0.390 19162 3870 1 14 . 1 1 22 22 GLY H H 22 8.306 8.306 8.032 0.274 19162 3871 1 14 . 1 1 23 23 LEU N N 23 121.557 121.557 122.331 -0.774 19162 3872 1 14 . 1 1 23 23 LEU C C 23 179.752 179.752 178.651 1.101 19162 3873 1 14 . 1 1 23 23 LEU CA C 23 57.402 57.402 57.207 0.195 19162 3874 1 14 . 1 1 23 23 LEU CB C 23 40.579 40.579 41.827 -1.248 19162 3875 1 14 . 1 1 23 23 LEU H H 23 7.993 7.993 7.664 0.329 19162 3876 1 14 . 1 1 24 24 LEU N N 24 122.382 122.382 120.172 2.210 19162 3877 1 14 . 1 1 24 24 LEU C C 24 178.185 178.185 178.242 -0.057 19162 3878 1 14 . 1 1 24 24 LEU CA C 24 58.437 58.437 57.960 0.477 19162 3879 1 14 . 1 1 24 24 LEU CB C 24 40.439 40.439 41.162 -0.723 19162 3880 1 14 . 1 1 24 24 LEU H H 24 8.047 8.047 7.543 0.504 19162 3881 1 14 . 1 1 25 25 VAL N N 25 118.255 118.255 118.568 -0.313 19162 3882 1 14 . 1 1 25 25 VAL C C 25 177.636 177.636 177.713 -0.077 19162 3883 1 14 . 1 1 25 25 VAL CA C 25 67.129 67.129 66.340 0.789 19162 3884 1 14 . 1 1 25 25 VAL CB C 25 30.813 30.813 31.442 -0.629 19162 3885 1 14 . 1 1 25 25 VAL H H 25 8.102 8.102 6.988 1.114 19162 3886 1 14 . 1 1 26 26 VAL N N 26 118.072 118.072 119.500 -1.428 19162 3887 1 14 . 1 1 26 26 VAL C C 26 177.322 177.322 178.007 -0.685 19162 3888 1 14 . 1 1 26 26 VAL CA C 26 66.686 66.686 66.687 -0.001 19162 3889 1 14 . 1 1 26 26 VAL CB C 26 30.653 30.653 31.497 -0.845 19162 3890 1 14 . 1 1 26 26 VAL H H 26 8.088 8.088 7.231 0.857 19162 3891 1 14 . 1 1 27 27 THR N N 27 116.788 116.788 116.582 0.206 19162 3892 1 14 . 1 1 27 27 THR C C 27 177.322 177.322 176.558 0.764 19162 3893 1 14 . 1 1 27 27 THR CA C 27 67.750 67.750 66.425 1.325 19162 3894 1 14 . 1 1 27 27 THR H H 27 8.047 8.047 7.967 0.080 19162 3895 1 14 . 1 1 28 28 LEU N N 28 122.932 122.932 121.554 1.378 19162 3896 1 14 . 1 1 28 28 LEU C C 28 178.499 178.499 178.407 0.092 19162 3897 1 14 . 1 1 28 28 LEU CA C 28 58.230 58.230 57.553 0.677 19162 3898 1 14 . 1 1 28 28 LEU CB C 28 40.794 40.794 40.875 -0.081 19162 3899 1 14 . 1 1 28 28 LEU H H 28 8.429 8.429 8.120 0.309 19162 3900 1 14 . 1 1 29 29 ALA N N 29 121.190 121.190 121.737 -0.547 19162 3901 1 14 . 1 1 29 29 ALA C C 29 178.890 178.890 180.384 -1.494 19162 3902 1 14 . 1 1 29 29 ALA CA C 29 55.333 55.333 54.859 0.474 19162 3903 1 14 . 1 1 29 29 ALA CB C 29 17.727 17.727 18.379 -0.652 19162 3904 1 14 . 1 1 29 29 ALA H H 29 8.607 8.607 7.728 0.879 19162 3905 1 14 . 1 1 30 30 TRP N N 30 118.622 118.622 119.100 -0.478 19162 3906 1 14 . 1 1 30 30 TRP C C 30 178.420 178.420 178.995 -0.575 19162 3907 1 14 . 1 1 30 30 TRP CA C 30 60.300 60.300 60.456 -0.156 19162 3908 1 14 . 1 1 30 30 TRP CB C 30 28.937 28.937 29.512 -0.575 19162 3909 1 14 . 1 1 30 30 TRP H H 30 8.538 8.538 8.061 0.477 19162 3910 1 14 . 1 1 31 31 HIS N N 31 117.888 117.888 119.856 -1.968 19162 3911 1 14 . 1 1 31 31 HIS C C 31 177.949 177.949 177.430 0.519 19162 3912 1 14 . 1 1 31 31 HIS CA C 31 59.886 59.886 59.695 0.191 19162 3913 1 14 . 1 1 31 31 HIS CB C 31 30.015 30.015 29.947 0.068 19162 3914 1 14 . 1 1 31 31 HIS H H 31 8.238 8.238 7.959 0.279 19162 3915 1 14 . 1 1 32 32 VAL N N 32 116.788 116.788 115.229 1.559 19162 3916 1 14 . 1 1 32 32 VAL C C 32 177.401 177.401 176.987 0.414 19162 3917 1 14 . 1 1 32 32 VAL CA C 32 64.853 64.853 64.690 0.163 19162 3918 1 14 . 1 1 32 32 VAL CB C 32 30.877 30.877 31.133 -0.256 19162 3919 1 14 . 1 1 32 32 VAL H H 32 8.429 8.429 7.636 0.793 19162 3920 1 14 . 1 1 33 33 LYS N N 33 120.548 120.548 120.980 -0.432 19162 3921 1 14 . 1 1 33 33 LYS C C 33 177.636 177.636 178.894 -1.258 19162 3922 1 14 . 1 1 33 33 LYS CA C 33 58.851 58.851 59.831 -0.980 19162 3923 1 14 . 1 1 33 33 LYS CB C 33 31.134 31.134 31.650 -0.516 19162 3924 1 14 . 1 1 33 33 LYS H H 33 8.047 8.047 7.479 0.568 19162 3925 1 14 . 1 1 34 34 GLY N N 34 106.701 106.701 104.789 1.912 19162 3926 1 14 . 1 1 34 34 GLY C C 34 174.814 174.814 176.154 -1.340 19162 3927 1 14 . 1 1 34 34 GLY CA C 34 46.019 46.019 46.418 -0.399 19162 3928 1 14 . 1 1 34 34 GLY H H 34 7.938 7.938 7.902 0.036 19162 3929 1 14 . 1 1 35 35 ARG N N 35 118.164 118.164 121.506 -3.342 19162 3930 1 14 . 1 1 35 35 ARG C C 35 176.460 176.460 178.321 -1.861 19162 3931 1 14 . 1 1 35 35 ARG CA C 35 55.954 55.954 58.614 -2.660 19162 3932 1 14 . 1 1 35 35 ARG CB C 35 29.799 29.799 29.849 -0.051 19162 3933 1 14 . 1 1 35 35 ARG H H 35 7.624 7.624 7.330 0.294 19162 3934 1 14 . 1 1 36 36 LEU N N 36 118.897 118.897 119.743 -0.846 19162 3935 1 14 . 1 1 36 36 LEU C C 36 176.539 176.539 178.441 -1.902 19162 3936 1 14 . 1 1 36 36 LEU CA C 36 55.540 55.540 57.881 -2.341 19162 3937 1 14 . 1 1 36 36 LEU CB C 36 42.303 42.303 41.961 0.342 19162 3938 1 14 . 1 1 36 36 LEU H H 36 7.720 7.720 8.119 -0.399 19162 3939 1 14 . 1 1 37 37 VAL N N 37 118.530 118.530 117.474 1.056 19162 3940 1 14 . 1 1 37 37 VAL C C 37 173.804 173.804 175.283 -1.479 19162 3941 1 14 . 1 1 37 37 VAL CA C 37 59.472 59.472 67.797 -8.325 19162 3942 1 14 . 1 1 37 37 VAL CB C 37 31.722 31.722 29.134 2.588 19162 3943 1 14 . 1 1 37 37 VAL H H 37 7.911 7.911 7.404 0.507 19162 3944 1 14 . 1 1 38 38 PRO C C 38 177.636 177.636 177.920 -0.284 19162 3945 1 14 . 1 1 38 38 PRO CA C 38 63.611 63.611 64.988 -1.377 19162 3946 1 14 . 1 1 38 38 PRO CB C 38 31.093 31.093 31.419 -0.326 19162 3947 1 14 . 1 1 39 39 GLY N N 39 109.268 109.268 105.747 3.521 19162 3948 1 14 . 1 1 39 39 GLY C C 39 174.422 174.422 174.872 -0.450 19162 3949 1 14 . 1 1 39 39 GLY CA C 39 45.192 45.192 46.145 -0.953 19162 3950 1 14 . 1 1 39 39 GLY H H 39 8.525 8.525 7.691 0.834 19162 3951 1 14 . 1 1 40 40 ALA N N 40 123.391 123.391 122.612 0.779 19162 3952 1 14 . 1 1 40 40 ALA C C 40 178.028 178.028 177.889 0.139 19162 3953 1 14 . 1 1 40 40 ALA CA C 40 52.642 52.642 53.880 -1.238 19162 3954 1 14 . 1 1 40 40 ALA CB C 40 18.804 18.804 18.980 -0.176 19162 3955 1 14 . 1 1 40 40 ALA H H 40 7.965 7.965 7.448 0.517 19162 3956 1 14 . 1 1 41 41 THR N N 41 113.028 113.028 111.831 1.197 19162 3957 1 14 . 1 1 41 41 THR C C 41 175.363 175.363 173.958 1.405 19162 3958 1 14 . 1 1 41 41 THR CA C 41 62.162 62.162 61.470 0.692 19162 3959 1 14 . 1 1 41 41 THR CB C 41 69.467 69.467 67.957 1.510 19162 3960 1 14 . 1 1 41 41 THR H H 41 8.115 8.115 7.595 0.520 19162 3961 1 14 . 1 1 42 42 TYR N N 42 121.373 121.373 125.812 -4.439 19162 3962 1 14 . 1 1 42 42 TYR C C 42 176.303 176.303 174.818 1.485 19162 3963 1 14 . 1 1 42 42 TYR CA C 42 59.473 59.473 56.900 2.573 19162 3964 1 14 . 1 1 42 42 TYR CB C 42 37.992 37.992 37.865 0.127 19162 3965 1 14 . 1 1 42 42 TYR H H 42 8.429 8.429 7.502 0.927 19162 3966 1 14 . 1 1 43 43 LEU N N 43 119.906 119.906 120.977 -1.071 19162 3967 1 14 . 1 1 43 43 LEU C C 43 177.405 177.405 176.755 0.650 19162 3968 1 14 . 1 1 43 43 LEU CA C 43 55.540 55.540 54.693 0.847 19162 3969 1 14 . 1 1 43 43 LEU CB C 43 41.455 41.455 42.392 -0.937 19162 3970 1 14 . 1 1 43 43 LEU H H 43 7.899 7.899 8.540 -0.641 19162 3971 1 14 . 1 1 44 44 SER N N 44 115.779 115.779 113.252 2.527 19162 3972 1 14 . 1 1 44 44 SER C C 44 175.049 175.049 174.149 0.900 19162 3973 1 14 . 1 1 44 44 SER CA C 44 59.058 59.058 58.011 1.047 19162 3974 1 14 . 1 1 44 44 SER CB C 44 63.649 63.649 63.497 0.152 19162 3975 1 14 . 1 1 44 44 SER H H 44 7.979 7.979 8.004 -0.025 19162 3976 1 14 . 1 1 45 45 LEU N N 45 122.199 122.199 123.771 -1.572 19162 3977 1 14 . 1 1 45 45 LEU C C 45 177.322 177.322 178.794 -1.472 19162 3978 1 14 . 1 1 45 45 LEU CA C 45 55.747 55.747 56.514 -0.766 19162 3979 1 14 . 1 1 45 45 LEU CB C 45 41.441 41.441 42.190 -0.748 19162 3980 1 14 . 1 1 45 45 LEU H H 45 8.211 8.211 8.795 -0.584 19162 3981 1 14 . 1 1 46 46 GLY N N 46 105.325 105.325 107.365 -2.040 19162 3982 1 14 . 1 1 46 46 GLY C C 46 174.422 174.422 175.548 -1.126 19162 3983 1 14 . 1 1 46 46 GLY CA C 46 45.812 45.812 46.918 -1.106 19162 3984 1 14 . 1 1 46 46 GLY H H 46 8.129 8.129 8.711 -0.582 19162 3985 1 14 . 1 1 47 47 VAL N N 47 117.063 117.063 116.523 0.540 19162 3986 1 14 . 1 1 47 47 VAL C C 47 177.087 177.087 176.874 0.213 19162 3987 1 14 . 1 1 47 47 VAL CA C 47 62.783 62.783 64.094 -1.311 19162 3988 1 14 . 1 1 47 47 VAL CB C 47 31.524 31.524 32.075 -0.551 19162 3989 1 14 . 1 1 47 47 VAL H H 47 7.897 7.897 7.710 0.187 19162 3990 1 14 . 1 1 48 48 TRP N N 48 121.465 121.465 123.507 -2.042 19162 3991 1 14 . 1 1 48 48 TRP C C 48 175.284 175.284 175.750 -0.466 19162 3992 1 14 . 1 1 48 48 TRP CA C 48 60.921 60.921 61.557 -0.636 19162 3993 1 14 . 1 1 48 48 TRP CB C 48 27.644 27.644 27.731 -0.087 19162 3994 1 14 . 1 1 48 48 TRP H H 48 7.938 7.938 8.582 -0.644 19162 3995 1 14 . 1 1 49 49 PRO C C 49 177.610 177.610 178.358 -0.748 19162 3996 1 14 . 1 1 49 49 PRO CA C 49 65.888 65.888 65.306 0.582 19162 3997 1 14 . 1 1 49 49 PRO CB C 49 30.599 30.599 31.281 -0.682 19162 3998 1 14 . 1 1 50 50 LEU N N 50 115.596 115.596 118.723 -3.127 19162 3999 1 14 . 1 1 50 50 LEU C C 50 179.125 179.125 179.346 -0.221 19162 4000 1 14 . 1 1 50 50 LEU CA C 50 57.195 57.195 57.343 -0.148 19162 4001 1 14 . 1 1 50 50 LEU CB C 50 40.579 40.579 41.497 -0.918 19162 4002 1 14 . 1 1 50 50 LEU H H 50 7.215 7.215 7.962 -0.747 19162 4003 1 14 . 1 1 51 51 LEU N N 51 119.906 119.906 120.040 -0.134 19162 4004 1 14 . 1 1 51 51 LEU C C 51 178.812 178.812 178.487 0.325 19162 4005 1 14 . 1 1 51 51 LEU CA C 51 57.402 57.402 58.317 -0.915 19162 4006 1 14 . 1 1 51 51 LEU CB C 51 41.027 41.027 41.722 -0.695 19162 4007 1 14 . 1 1 51 51 LEU H H 51 7.856 7.856 7.323 0.533 19162 4008 1 14 . 1 1 52 52 LEU N N 52 117.980 117.980 117.640 0.340 19162 4009 1 14 . 1 1 52 52 LEU C C 52 178.655 178.655 179.164 -0.509 19162 4010 1 14 . 1 1 52 52 LEU CA C 52 57.753 57.753 57.412 0.341 19162 4011 1 14 . 1 1 52 52 LEU CB C 52 40.974 40.974 41.221 -0.247 19162 4012 1 14 . 1 1 52 52 LEU H H 52 7.965 7.965 7.115 0.850 19162 4013 1 14 . 1 1 53 53 VAL N N 53 117.063 117.063 118.704 -1.641 19162 4014 1 14 . 1 1 53 53 VAL C C 53 177.636 177.636 177.903 -0.267 19162 4015 1 14 . 1 1 53 53 VAL CA C 53 66.302 66.302 66.125 0.177 19162 4016 1 14 . 1 1 53 53 VAL CB C 53 30.877 30.877 30.823 0.054 19162 4017 1 14 . 1 1 53 53 VAL H H 53 7.774 7.774 7.886 -0.112 19162 4018 1 14 . 1 1 54 54 ARG N N 54 118.439 118.439 119.725 -1.286 19162 4019 1 14 . 1 1 54 54 ARG C C 54 178.263 178.263 177.882 0.381 19162 4020 1 14 . 1 1 54 54 ARG CA C 54 58.230 58.230 59.423 -1.193 19162 4021 1 14 . 1 1 54 54 ARG CB C 54 29.368 29.368 30.018 -0.650 19162 4022 1 14 . 1 1 54 54 ARG H H 54 7.665 7.665 7.545 0.120 19162 4023 1 14 . 1 1 55 55 LEU N N 55 117.888 117.888 118.620 -0.732 19162 4024 1 14 . 1 1 55 55 LEU C C 55 177.649 177.649 178.599 -0.950 19162 4025 1 14 . 1 1 55 55 LEU CA C 55 56.521 56.521 57.402 -0.881 19162 4026 1 14 . 1 1 55 55 LEU CB C 55 42.097 42.097 42.113 -0.016 19162 4027 1 14 . 1 1 55 55 LEU H H 55 7.789 7.789 7.474 0.315 19162 4028 1 14 . 1 1 56 56 LEU N N 56 116.146 116.146 117.868 -1.722 19162 4029 1 14 . 1 1 56 56 LEU C C 56 176.930 176.930 179.138 -2.208 19162 4030 1 14 . 1 1 56 56 LEU CA C 56 55.333 55.333 57.043 -1.710 19162 4031 1 14 . 1 1 56 56 LEU CB C 56 41.990 41.990 41.377 0.613 19162 4032 1 14 . 1 1 56 56 LEU H H 56 7.693 7.693 7.263 0.430 19162 4033 1 14 . 1 1 57 57 ARG N N 57 118.897 118.897 120.531 -1.634 19162 4034 1 14 . 1 1 57 57 ARG C C 57 173.795 173.795 175.987 -2.192 19162 4035 1 14 . 1 1 57 57 ARG CA C 57 54.919 54.919 59.979 -5.060 19162 4036 1 14 . 1 1 57 57 ARG CB C 57 29.153 29.153 28.922 0.231 19162 4037 1 14 . 1 1 57 57 ARG H H 57 7.856 7.856 8.377 -0.521 19162 4038 1 14 . 1 1 58 58 PRO C C 58 177.009 177.009 176.865 0.144 19162 4039 1 14 . 1 1 58 58 PRO CA C 58 63.611 63.611 63.421 0.190 19162 4040 1 14 . 1 1 58 58 PRO CB C 58 31.027 31.027 31.714 -0.687 19162 4041 1 14 . 1 1 59 59 HIS N N 59 119.264 119.264 116.789 2.475 19162 4042 1 14 . 1 1 59 59 HIS C C 59 175.520 175.520 174.001 1.519 19162 4043 1 14 . 1 1 59 59 HIS CA C 59 56.574 56.574 56.897 -0.322 19162 4044 1 14 . 1 1 59 59 HIS CB C 59 30.446 30.446 30.246 0.200 19162 4045 1 14 . 1 1 59 59 HIS H H 59 8.375 8.375 8.301 0.074 19162 4046 1 14 . 1 1 60 60 ARG N N 60 122.382 122.382 120.119 2.263 19162 4047 1 14 . 1 1 60 60 ARG C C 60 175.598 175.598 173.777 1.821 19162 4048 1 14 . 1 1 60 60 ARG CA C 60 55.751 55.751 55.693 0.058 19162 4049 1 14 . 1 1 60 60 ARG CB C 60 30.064 30.064 31.543 -1.479 19162 4050 1 14 . 1 1 60 60 ARG H H 60 7.980 7.980 7.642 0.338 19162 4051 1 14 . 1 1 61 61 ALA N N 61 125.041 125.041 121.894 3.147 19162 4052 1 14 . 1 1 61 61 ALA C C 61 177.401 177.401 177.801 -0.400 19162 4053 1 14 . 1 1 61 61 ALA CA C 61 52.228 52.228 51.989 0.239 19162 4054 1 14 . 1 1 61 61 ALA CB C 61 18.804 18.804 19.130 -0.326 19162 4055 1 14 . 1 1 61 61 ALA H H 61 8.320 8.320 8.383 -0.063 19162 4056 1 14 . 1 1 62 62 LEU N N 62 121.281 121.281 120.126 1.155 19162 4057 1 14 . 1 1 62 62 LEU C C 62 175.911 175.911 178.119 -2.208 19162 4058 1 14 . 1 1 62 62 LEU CA C 62 54.919 54.919 56.675 -1.756 19162 4059 1 14 . 1 1 62 62 LEU CB C 62 41.657 41.657 41.249 0.408 19162 4060 1 14 . 1 1 62 62 LEU H H 62 8.115 8.115 8.278 -0.163 19162 4061 1 15 . 1 1 2 2 ALA C C 2 178.255 178.255 178.316 -0.061 19162 4062 1 15 . 1 1 2 2 ALA CA C 2 53.263 53.263 53.829 -0.566 19162 4063 1 15 . 1 1 2 2 ALA CB C 2 18.411 18.411 18.094 0.317 19162 4064 1 15 . 1 1 3 3 LYS N N 3 119.081 119.081 123.330 -4.249 19162 4065 1 15 . 1 1 3 3 LYS C C 3 176.752 176.752 175.348 1.404 19162 4066 1 15 . 1 1 3 3 LYS CA C 3 57.816 57.816 55.965 1.851 19162 4067 1 15 . 1 1 3 3 LYS CB C 3 31.751 31.751 30.815 0.936 19162 4068 1 15 . 1 1 3 3 LYS H H 3 8.607 8.607 8.285 0.322 19162 4069 1 15 . 1 1 4 4 ASN N N 4 118.255 118.255 117.599 0.656 19162 4070 1 15 . 1 1 4 4 ASN C C 4 176.029 176.029 176.369 -0.340 19162 4071 1 15 . 1 1 4 4 ASN CA C 4 54.712 54.712 53.638 1.075 19162 4072 1 15 . 1 1 4 4 ASN CB C 4 38.244 38.244 39.283 -1.039 19162 4073 1 15 . 1 1 4 4 ASN H H 4 8.185 8.185 8.320 -0.135 19162 4074 1 15 . 1 1 5 5 VAL N N 5 119.998 119.998 121.440 -1.442 19162 4075 1 15 . 1 1 5 5 VAL C C 5 177.259 177.259 177.492 -0.233 19162 4076 1 15 . 1 1 5 5 VAL CA C 5 64.232 64.232 66.093 -1.861 19162 4077 1 15 . 1 1 5 5 VAL CB C 5 31.524 31.524 31.367 0.157 19162 4078 1 15 . 1 1 5 5 VAL H H 5 7.857 7.857 7.435 0.422 19162 4079 1 15 . 1 1 6 6 ILE N N 6 122.474 122.474 118.992 3.482 19162 4080 1 15 . 1 1 6 6 ILE C C 6 177.009 177.009 178.140 -1.131 19162 4081 1 15 . 1 1 6 6 ILE CA C 6 63.400 63.400 64.607 -1.207 19162 4082 1 15 . 1 1 6 6 ILE CB C 6 37.177 37.177 37.423 -0.246 19162 4083 1 15 . 1 1 6 6 ILE H H 6 8.062 8.062 7.925 0.137 19162 4084 1 15 . 1 1 7 7 VAL N N 7 120.915 120.915 119.490 1.425 19162 4085 1 15 . 1 1 7 7 VAL C C 7 177.009 177.009 178.185 -1.176 19162 4086 1 15 . 1 1 7 7 VAL CA C 7 65.017 65.017 66.108 -1.091 19162 4087 1 15 . 1 1 7 7 VAL CB C 7 31.309 31.309 30.985 0.324 19162 4088 1 15 . 1 1 7 7 VAL H H 7 7.993 7.993 7.532 0.461 19162 4089 1 15 . 1 1 8 8 LEU N N 8 121.098 121.098 119.953 1.145 19162 4090 1 15 . 1 1 8 8 LEU C C 8 178.655 178.655 178.727 -0.072 19162 4091 1 15 . 1 1 8 8 LEU CA C 8 56.781 56.781 58.566 -1.785 19162 4092 1 15 . 1 1 8 8 LEU CB C 8 41.010 41.010 41.316 -0.306 19162 4093 1 15 . 1 1 8 8 LEU H H 8 8.061 8.061 7.828 0.233 19162 4094 1 15 . 1 1 9 9 ASN N N 9 118.347 118.347 117.206 1.141 19162 4095 1 15 . 1 1 9 9 ASN C C 9 176.695 176.695 177.118 -0.423 19162 4096 1 15 . 1 1 9 9 ASN CA C 9 54.919 54.919 56.251 -1.332 19162 4097 1 15 . 1 1 9 9 ASN CB C 9 38.674 38.674 38.270 0.404 19162 4098 1 15 . 1 1 9 9 ASN H H 9 8.102 8.102 7.524 0.578 19162 4099 1 15 . 1 1 10 10 ALA N N 10 124.124 124.124 122.134 1.990 19162 4100 1 15 . 1 1 10 10 ALA C C 10 178.263 178.263 179.182 -0.919 19162 4101 1 15 . 1 1 10 10 ALA CA C 10 54.505 54.505 55.028 -0.523 19162 4102 1 15 . 1 1 10 10 ALA CB C 10 17.942 17.942 18.342 -0.400 19162 4103 1 15 . 1 1 10 10 ALA H H 10 8.388 8.388 7.604 0.784 19162 4104 1 15 . 1 1 11 11 ALA N N 11 119.814 119.814 119.682 0.132 19162 4105 1 15 . 1 1 11 11 ALA C C 11 179.204 179.204 179.322 -0.118 19162 4106 1 15 . 1 1 11 11 ALA CA C 11 54.298 54.298 55.233 -0.935 19162 4107 1 15 . 1 1 11 11 ALA CB C 11 17.942 17.942 18.109 -0.167 19162 4108 1 15 . 1 1 11 11 ALA H H 11 8.279 8.279 7.854 0.425 19162 4109 1 15 . 1 1 12 12 SER N N 12 113.303 113.303 115.031 -1.728 19162 4110 1 15 . 1 1 12 12 SER C C 12 175.873 175.873 176.491 -0.618 19162 4111 1 15 . 1 1 12 12 SER CA C 12 60.140 60.140 61.037 -0.897 19162 4112 1 15 . 1 1 12 12 SER CB C 12 63.221 63.221 62.296 0.925 19162 4113 1 15 . 1 1 12 12 SER H H 12 7.952 7.952 7.464 0.488 19162 4114 1 15 . 1 1 13 13 ALA N N 13 124.308 124.308 124.792 -0.484 19162 4115 1 15 . 1 1 13 13 ALA C C 13 178.420 178.420 179.297 -0.877 19162 4116 1 15 . 1 1 13 13 ALA CA C 13 53.470 53.470 54.642 -1.172 19162 4117 1 15 . 1 1 13 13 ALA CB C 13 18.373 18.373 18.080 0.293 19162 4118 1 15 . 1 1 13 13 ALA H H 13 7.924 7.924 7.494 0.430 19162 4119 1 15 . 1 1 14 14 ALA N N 14 119.998 119.998 120.696 -0.698 19162 4120 1 15 . 1 1 14 14 ALA C C 14 178.420 178.420 179.121 -0.701 19162 4121 1 15 . 1 1 14 14 ALA CA C 14 53.263 53.263 54.786 -1.523 19162 4122 1 15 . 1 1 14 14 ALA CB C 14 18.373 18.373 18.412 -0.039 19162 4123 1 15 . 1 1 14 14 ALA H H 14 7.965 7.965 7.514 0.451 19162 4124 1 15 . 1 1 15 15 GLY N N 15 105.417 105.417 106.123 -0.706 19162 4125 1 15 . 1 1 15 15 GLY C C 15 174.422 174.422 175.679 -1.257 19162 4126 1 15 . 1 1 15 15 GLY CA C 15 45.605 45.605 46.568 -0.963 19162 4127 1 15 . 1 1 15 15 GLY H H 15 8.020 8.020 7.666 0.354 19162 4128 1 15 . 1 1 16 16 ASN N N 16 118.989 118.989 117.669 1.320 19162 4129 1 15 . 1 1 16 16 ASN C C 16 175.598 175.598 175.886 -0.288 19162 4130 1 15 . 1 1 16 16 ASN CA C 16 53.677 53.677 55.024 -1.347 19162 4131 1 15 . 1 1 16 16 ASN CB C 16 38.621 38.621 38.250 0.371 19162 4132 1 15 . 1 1 16 16 ASN H H 16 8.156 8.156 7.470 0.686 19162 4133 1 15 . 1 1 17 17 HIS N N 17 119.081 119.081 121.484 -2.403 19162 4134 1 15 . 1 1 17 17 HIS C C 17 176.068 176.068 174.646 1.422 19162 4135 1 15 . 1 1 17 17 HIS CA C 17 56.781 56.781 57.543 -0.762 19162 4136 1 15 . 1 1 17 17 HIS CB C 17 29.942 29.942 28.606 1.336 19162 4137 1 15 . 1 1 17 17 HIS H H 17 8.322 8.322 7.549 0.773 19162 4138 1 15 . 1 1 18 18 GLY N N 18 109.543 109.543 113.166 -3.623 19162 4139 1 15 . 1 1 18 18 GLY C C 18 175.206 175.206 174.226 0.980 19162 4140 1 15 . 1 1 18 18 GLY CA C 18 47.054 47.054 44.999 2.055 19162 4141 1 15 . 1 1 18 18 GLY H H 18 8.607 8.607 7.549 1.058 19162 4142 1 15 . 1 1 19 19 PHE N N 19 120.640 120.640 124.947 -4.307 19162 4143 1 15 . 1 1 19 19 PHE C C 19 176.695 176.695 174.973 1.722 19162 4144 1 15 . 1 1 19 19 PHE CA C 19 60.507 60.507 59.892 0.615 19162 4145 1 15 . 1 1 19 19 PHE CB C 19 38.638 38.638 38.794 -0.156 19162 4146 1 15 . 1 1 19 19 PHE H H 19 8.716 8.716 8.561 0.155 19162 4147 1 15 . 1 1 20 20 PHE N N 20 118.989 118.989 116.560 2.429 19162 4148 1 15 . 1 1 20 20 PHE C C 20 176.617 176.617 177.614 -0.997 19162 4149 1 15 . 1 1 20 20 PHE CA C 20 61.334 61.334 60.795 0.539 19162 4150 1 15 . 1 1 20 20 PHE CB C 20 38.460 38.460 37.649 0.811 19162 4151 1 15 . 1 1 20 20 PHE H H 20 8.143 8.143 7.747 0.396 19162 4152 1 15 . 1 1 21 21 TRP N N 21 118.897 118.897 121.098 -2.201 19162 4153 1 15 . 1 1 21 21 TRP C C 21 178.577 178.577 178.373 0.204 19162 4154 1 15 . 1 1 21 21 TRP CA C 21 59.691 59.691 60.905 -1.214 19162 4155 1 15 . 1 1 21 21 TRP CB C 21 29.636 29.636 29.702 -0.066 19162 4156 1 15 . 1 1 21 21 TRP H H 21 7.911 7.911 8.690 -0.779 19162 4157 1 15 . 1 1 22 22 GLY N N 22 105.692 105.692 106.708 -1.016 19162 4158 1 15 . 1 1 22 22 GLY C C 22 174.657 174.657 175.763 -1.106 19162 4159 1 15 . 1 1 22 22 GLY CA C 22 47.261 47.261 47.031 0.230 19162 4160 1 15 . 1 1 22 22 GLY H H 22 8.306 8.306 7.761 0.545 19162 4161 1 15 . 1 1 23 23 LEU N N 23 121.557 121.557 121.601 -0.044 19162 4162 1 15 . 1 1 23 23 LEU C C 23 179.752 179.752 178.398 1.354 19162 4163 1 15 . 1 1 23 23 LEU CA C 23 57.402 57.402 57.115 0.286 19162 4164 1 15 . 1 1 23 23 LEU CB C 23 40.579 40.579 41.574 -0.995 19162 4165 1 15 . 1 1 23 23 LEU H H 23 7.993 7.993 7.408 0.585 19162 4166 1 15 . 1 1 24 24 LEU N N 24 122.382 122.382 119.355 3.027 19162 4167 1 15 . 1 1 24 24 LEU C C 24 178.185 178.185 178.225 -0.040 19162 4168 1 15 . 1 1 24 24 LEU CA C 24 58.437 58.437 57.741 0.696 19162 4169 1 15 . 1 1 24 24 LEU CB C 24 40.439 40.439 41.050 -0.611 19162 4170 1 15 . 1 1 24 24 LEU H H 24 8.047 8.047 7.015 1.032 19162 4171 1 15 . 1 1 25 25 VAL N N 25 118.255 118.255 118.422 -0.167 19162 4172 1 15 . 1 1 25 25 VAL C C 25 177.636 177.636 178.075 -0.439 19162 4173 1 15 . 1 1 25 25 VAL CA C 25 67.129 67.129 66.846 0.283 19162 4174 1 15 . 1 1 25 25 VAL CB C 25 30.813 30.813 31.193 -0.380 19162 4175 1 15 . 1 1 25 25 VAL H H 25 8.102 8.102 7.037 1.065 19162 4176 1 15 . 1 1 26 26 VAL N N 26 118.072 118.072 119.695 -1.623 19162 4177 1 15 . 1 1 26 26 VAL C C 26 177.322 177.322 178.022 -0.700 19162 4178 1 15 . 1 1 26 26 VAL CA C 26 66.686 66.686 66.700 -0.014 19162 4179 1 15 . 1 1 26 26 VAL CB C 26 30.653 30.653 31.120 -0.467 19162 4180 1 15 . 1 1 26 26 VAL H H 26 8.088 8.088 7.307 0.781 19162 4181 1 15 . 1 1 27 27 THR N N 27 116.788 116.788 117.110 -0.322 19162 4182 1 15 . 1 1 27 27 THR C C 27 177.322 177.322 176.649 0.673 19162 4183 1 15 . 1 1 27 27 THR CA C 27 67.750 67.750 66.702 1.048 19162 4184 1 15 . 1 1 27 27 THR H H 27 8.047 8.047 7.981 0.066 19162 4185 1 15 . 1 1 28 28 LEU N N 28 122.932 122.932 121.577 1.355 19162 4186 1 15 . 1 1 28 28 LEU C C 28 178.499 178.499 178.925 -0.426 19162 4187 1 15 . 1 1 28 28 LEU CA C 28 58.230 58.230 58.543 -0.313 19162 4188 1 15 . 1 1 28 28 LEU CB C 28 40.794 40.794 41.356 -0.562 19162 4189 1 15 . 1 1 28 28 LEU H H 28 8.429 8.429 8.096 0.333 19162 4190 1 15 . 1 1 29 29 ALA N N 29 121.190 121.190 121.816 -0.626 19162 4191 1 15 . 1 1 29 29 ALA C C 29 178.890 178.890 180.024 -1.134 19162 4192 1 15 . 1 1 29 29 ALA CA C 29 55.333 55.333 54.855 0.478 19162 4193 1 15 . 1 1 29 29 ALA CB C 29 17.727 17.727 18.314 -0.587 19162 4194 1 15 . 1 1 29 29 ALA H H 29 8.607 8.607 7.713 0.894 19162 4195 1 15 . 1 1 30 30 TRP N N 30 118.622 118.622 118.845 -0.223 19162 4196 1 15 . 1 1 30 30 TRP C C 30 178.420 178.420 179.019 -0.599 19162 4197 1 15 . 1 1 30 30 TRP CA C 30 60.300 60.300 60.136 0.163 19162 4198 1 15 . 1 1 30 30 TRP CB C 30 28.937 28.937 29.425 -0.488 19162 4199 1 15 . 1 1 30 30 TRP H H 30 8.538 8.538 8.117 0.421 19162 4200 1 15 . 1 1 31 31 HIS N N 31 117.888 117.888 119.946 -2.058 19162 4201 1 15 . 1 1 31 31 HIS C C 31 177.949 177.949 177.711 0.238 19162 4202 1 15 . 1 1 31 31 HIS CA C 31 59.886 59.886 60.184 -0.298 19162 4203 1 15 . 1 1 31 31 HIS CB C 31 30.015 30.015 30.512 -0.497 19162 4204 1 15 . 1 1 31 31 HIS H H 31 8.238 8.238 8.117 0.121 19162 4205 1 15 . 1 1 32 32 VAL N N 32 116.788 116.788 114.782 2.006 19162 4206 1 15 . 1 1 32 32 VAL C C 32 177.401 177.401 176.882 0.519 19162 4207 1 15 . 1 1 32 32 VAL CA C 32 64.853 64.853 64.566 0.287 19162 4208 1 15 . 1 1 32 32 VAL CB C 32 30.877 30.877 31.163 -0.286 19162 4209 1 15 . 1 1 32 32 VAL H H 32 8.429 8.429 7.749 0.680 19162 4210 1 15 . 1 1 33 33 LYS N N 33 120.548 120.548 121.044 -0.496 19162 4211 1 15 . 1 1 33 33 LYS C C 33 177.636 177.636 178.911 -1.275 19162 4212 1 15 . 1 1 33 33 LYS CA C 33 58.851 58.851 59.755 -0.904 19162 4213 1 15 . 1 1 33 33 LYS CB C 33 31.134 31.134 31.682 -0.548 19162 4214 1 15 . 1 1 33 33 LYS H H 33 8.047 8.047 7.519 0.528 19162 4215 1 15 . 1 1 34 34 GLY N N 34 106.701 106.701 104.719 1.982 19162 4216 1 15 . 1 1 34 34 GLY C C 34 174.814 174.814 176.228 -1.414 19162 4217 1 15 . 1 1 34 34 GLY CA C 34 46.019 46.019 46.401 -0.382 19162 4218 1 15 . 1 1 34 34 GLY H H 34 7.938 7.938 7.816 0.122 19162 4219 1 15 . 1 1 35 35 ARG N N 35 118.164 118.164 121.613 -3.449 19162 4220 1 15 . 1 1 35 35 ARG C C 35 176.460 176.460 178.354 -1.894 19162 4221 1 15 . 1 1 35 35 ARG CA C 35 55.954 55.954 58.644 -2.690 19162 4222 1 15 . 1 1 35 35 ARG CB C 35 29.799 29.799 29.884 -0.085 19162 4223 1 15 . 1 1 35 35 ARG H H 35 7.624 7.624 7.561 0.063 19162 4224 1 15 . 1 1 36 36 LEU N N 36 118.897 118.897 119.774 -0.877 19162 4225 1 15 . 1 1 36 36 LEU C C 36 176.539 176.539 178.411 -1.872 19162 4226 1 15 . 1 1 36 36 LEU CA C 36 55.540 55.540 57.871 -2.331 19162 4227 1 15 . 1 1 36 36 LEU CB C 36 42.303 42.303 41.996 0.307 19162 4228 1 15 . 1 1 36 36 LEU H H 36 7.720 7.720 7.869 -0.149 19162 4229 1 15 . 1 1 37 37 VAL N N 37 118.530 118.530 117.570 0.960 19162 4230 1 15 . 1 1 37 37 VAL C C 37 173.804 173.804 175.283 -1.479 19162 4231 1 15 . 1 1 37 37 VAL CA C 37 59.472 59.472 67.705 -8.233 19162 4232 1 15 . 1 1 37 37 VAL CB C 37 31.722 31.722 29.052 2.670 19162 4233 1 15 . 1 1 37 37 VAL H H 37 7.911 7.911 7.398 0.513 19162 4234 1 15 . 1 1 38 38 PRO C C 38 177.636 177.636 179.103 -1.467 19162 4235 1 15 . 1 1 38 38 PRO CA C 38 63.611 63.611 65.321 -1.710 19162 4236 1 15 . 1 1 38 38 PRO CB C 38 31.093 31.093 31.227 -0.134 19162 4237 1 15 . 1 1 39 39 GLY N N 39 109.268 109.268 107.525 1.743 19162 4238 1 15 . 1 1 39 39 GLY C C 39 174.422 174.422 175.723 -1.301 19162 4239 1 15 . 1 1 39 39 GLY CA C 39 45.192 45.192 46.393 -1.201 19162 4240 1 15 . 1 1 39 39 GLY H H 39 8.525 8.525 7.910 0.615 19162 4241 1 15 . 1 1 40 40 ALA N N 40 123.391 123.391 124.177 -0.786 19162 4242 1 15 . 1 1 40 40 ALA C C 40 178.028 178.028 178.095 -0.067 19162 4243 1 15 . 1 1 40 40 ALA CA C 40 52.642 52.642 53.549 -0.907 19162 4244 1 15 . 1 1 40 40 ALA CB C 40 18.804 18.804 19.023 -0.219 19162 4245 1 15 . 1 1 40 40 ALA H H 40 7.965 7.965 7.620 0.345 19162 4246 1 15 . 1 1 41 41 THR N N 41 113.028 113.028 113.167 -0.139 19162 4247 1 15 . 1 1 41 41 THR C C 41 175.363 175.363 173.554 1.809 19162 4248 1 15 . 1 1 41 41 THR CA C 41 62.162 62.162 62.561 -0.399 19162 4249 1 15 . 1 1 41 41 THR CB C 41 69.467 69.467 68.251 1.216 19162 4250 1 15 . 1 1 41 41 THR H H 41 8.115 8.115 7.531 0.584 19162 4251 1 15 . 1 1 42 42 TYR N N 42 121.373 121.373 121.888 -0.515 19162 4252 1 15 . 1 1 42 42 TYR C C 42 176.303 176.303 174.151 2.152 19162 4253 1 15 . 1 1 42 42 TYR CA C 42 59.473 59.473 56.479 2.994 19162 4254 1 15 . 1 1 42 42 TYR CB C 42 37.992 37.992 38.618 -0.626 19162 4255 1 15 . 1 1 42 42 TYR H H 42 8.429 8.429 7.671 0.758 19162 4256 1 15 . 1 1 43 43 LEU N N 43 119.906 119.906 125.623 -5.717 19162 4257 1 15 . 1 1 43 43 LEU C C 43 177.405 177.405 177.141 0.264 19162 4258 1 15 . 1 1 43 43 LEU CA C 43 55.540 55.540 55.649 -0.109 19162 4259 1 15 . 1 1 43 43 LEU CB C 43 41.455 41.455 41.517 -0.062 19162 4260 1 15 . 1 1 43 43 LEU H H 43 7.899 7.899 8.550 -0.651 19162 4261 1 15 . 1 1 44 44 SER N N 44 115.779 115.779 117.394 -1.615 19162 4262 1 15 . 1 1 44 44 SER C C 44 175.049 175.049 175.105 -0.056 19162 4263 1 15 . 1 1 44 44 SER CA C 44 59.058 59.058 58.459 0.598 19162 4264 1 15 . 1 1 44 44 SER CB C 44 63.649 63.649 63.744 -0.095 19162 4265 1 15 . 1 1 44 44 SER H H 44 7.979 7.979 8.066 -0.087 19162 4266 1 15 . 1 1 45 45 LEU N N 45 122.199 122.199 129.887 -7.688 19162 4267 1 15 . 1 1 45 45 LEU C C 45 177.322 177.322 179.105 -1.783 19162 4268 1 15 . 1 1 45 45 LEU CA C 45 55.747 55.747 55.731 0.016 19162 4269 1 15 . 1 1 45 45 LEU CB C 45 41.441 41.441 42.118 -0.677 19162 4270 1 15 . 1 1 45 45 LEU H H 45 8.211 8.211 8.845 -0.634 19162 4271 1 15 . 1 1 46 46 GLY N N 46 105.325 105.325 108.287 -2.962 19162 4272 1 15 . 1 1 46 46 GLY C C 46 174.422 174.422 175.085 -0.663 19162 4273 1 15 . 1 1 46 46 GLY CA C 46 45.812 45.812 45.589 0.223 19162 4274 1 15 . 1 1 46 46 GLY H H 46 8.129 8.129 8.503 -0.374 19162 4275 1 15 . 1 1 47 47 VAL N N 47 117.063 117.063 115.770 1.293 19162 4276 1 15 . 1 1 47 47 VAL C C 47 177.087 177.087 176.387 0.700 19162 4277 1 15 . 1 1 47 47 VAL CA C 47 62.783 62.783 62.409 0.374 19162 4278 1 15 . 1 1 47 47 VAL CB C 47 31.524 31.524 32.779 -1.255 19162 4279 1 15 . 1 1 47 47 VAL H H 47 7.897 7.897 7.687 0.210 19162 4280 1 15 . 1 1 48 48 TRP N N 48 121.465 121.465 124.872 -3.407 19162 4281 1 15 . 1 1 48 48 TRP C C 48 175.284 175.284 175.315 -0.031 19162 4282 1 15 . 1 1 48 48 TRP CA C 48 60.921 60.921 61.432 -0.511 19162 4283 1 15 . 1 1 48 48 TRP CB C 48 27.644 27.644 27.785 -0.141 19162 4284 1 15 . 1 1 48 48 TRP H H 48 7.938 7.938 8.534 -0.596 19162 4285 1 15 . 1 1 49 49 PRO C C 49 177.610 177.610 178.146 -0.536 19162 4286 1 15 . 1 1 49 49 PRO CA C 49 65.888 65.888 64.668 1.220 19162 4287 1 15 . 1 1 49 49 PRO CB C 49 30.599 30.599 31.134 -0.535 19162 4288 1 15 . 1 1 50 50 LEU N N 50 115.596 115.596 119.505 -3.909 19162 4289 1 15 . 1 1 50 50 LEU C C 50 179.125 179.125 178.962 0.163 19162 4290 1 15 . 1 1 50 50 LEU CA C 50 57.195 57.195 57.337 -0.142 19162 4291 1 15 . 1 1 50 50 LEU CB C 50 40.579 40.579 41.243 -0.664 19162 4292 1 15 . 1 1 50 50 LEU H H 50 7.215 7.215 7.967 -0.752 19162 4293 1 15 . 1 1 51 51 LEU N N 51 119.906 119.906 118.158 1.748 19162 4294 1 15 . 1 1 51 51 LEU C C 51 178.812 178.812 179.270 -0.458 19162 4295 1 15 . 1 1 51 51 LEU CA C 51 57.402 57.402 57.793 -0.391 19162 4296 1 15 . 1 1 51 51 LEU CB C 51 41.027 41.027 41.186 -0.159 19162 4297 1 15 . 1 1 51 51 LEU H H 51 7.856 7.856 7.347 0.509 19162 4298 1 15 . 1 1 52 52 LEU N N 52 117.980 117.980 118.311 -0.331 19162 4299 1 15 . 1 1 52 52 LEU C C 52 178.655 178.655 179.355 -0.700 19162 4300 1 15 . 1 1 52 52 LEU CA C 52 57.753 57.753 57.474 0.279 19162 4301 1 15 . 1 1 52 52 LEU CB C 52 40.974 40.974 40.660 0.314 19162 4302 1 15 . 1 1 52 52 LEU H H 52 7.965 7.965 7.218 0.747 19162 4303 1 15 . 1 1 53 53 VAL N N 53 117.063 117.063 114.869 2.194 19162 4304 1 15 . 1 1 53 53 VAL C C 53 177.636 177.636 177.463 0.173 19162 4305 1 15 . 1 1 53 53 VAL CA C 53 66.302 66.302 65.711 0.591 19162 4306 1 15 . 1 1 53 53 VAL CB C 53 30.877 30.877 31.170 -0.293 19162 4307 1 15 . 1 1 53 53 VAL H H 53 7.774 7.774 7.533 0.241 19162 4308 1 15 . 1 1 54 54 ARG N N 54 118.439 118.439 120.010 -1.571 19162 4309 1 15 . 1 1 54 54 ARG C C 54 178.263 178.263 177.760 0.503 19162 4310 1 15 . 1 1 54 54 ARG CA C 54 58.230 58.230 59.386 -1.155 19162 4311 1 15 . 1 1 54 54 ARG CB C 54 29.368 29.368 30.001 -0.633 19162 4312 1 15 . 1 1 54 54 ARG H H 54 7.665 7.665 7.511 0.154 19162 4313 1 15 . 1 1 55 55 LEU N N 55 117.888 117.888 118.696 -0.808 19162 4314 1 15 . 1 1 55 55 LEU C C 55 177.649 177.649 178.154 -0.505 19162 4315 1 15 . 1 1 55 55 LEU CA C 55 56.521 56.521 57.228 -0.708 19162 4316 1 15 . 1 1 55 55 LEU CB C 55 42.097 42.097 41.939 0.158 19162 4317 1 15 . 1 1 55 55 LEU H H 55 7.789 7.789 7.467 0.322 19162 4318 1 15 . 1 1 56 56 LEU N N 56 116.146 116.146 118.385 -2.239 19162 4319 1 15 . 1 1 56 56 LEU C C 56 176.930 176.930 178.219 -1.289 19162 4320 1 15 . 1 1 56 56 LEU CA C 56 55.333 55.333 56.943 -1.610 19162 4321 1 15 . 1 1 56 56 LEU CB C 56 41.990 41.990 41.824 0.166 19162 4322 1 15 . 1 1 56 56 LEU H H 56 7.693 7.693 7.220 0.473 19162 4323 1 15 . 1 1 57 57 ARG N N 57 118.897 118.897 120.020 -1.123 19162 4324 1 15 . 1 1 57 57 ARG C C 57 173.795 173.795 176.110 -2.315 19162 4325 1 15 . 1 1 57 57 ARG CA C 57 54.919 54.919 59.916 -4.997 19162 4326 1 15 . 1 1 57 57 ARG CB C 57 29.153 29.153 28.486 0.667 19162 4327 1 15 . 1 1 57 57 ARG H H 57 7.856 7.856 8.262 -0.406 19162 4328 1 15 . 1 1 58 58 PRO C C 58 177.009 177.009 176.506 0.503 19162 4329 1 15 . 1 1 58 58 PRO CA C 58 63.611 63.611 63.672 -0.061 19162 4330 1 15 . 1 1 58 58 PRO CB C 58 31.027 31.027 31.855 -0.828 19162 4331 1 15 . 1 1 59 59 HIS N N 59 119.264 119.264 116.260 3.004 19162 4332 1 15 . 1 1 59 59 HIS C C 59 175.520 175.520 174.149 1.371 19162 4333 1 15 . 1 1 59 59 HIS CA C 59 56.574 56.574 57.045 -0.471 19162 4334 1 15 . 1 1 59 59 HIS CB C 59 30.446 30.446 30.175 0.271 19162 4335 1 15 . 1 1 59 59 HIS H H 59 8.375 8.375 7.924 0.451 19162 4336 1 15 . 1 1 60 60 ARG N N 60 122.382 122.382 123.292 -0.910 19162 4337 1 15 . 1 1 60 60 ARG C C 60 175.598 175.598 174.343 1.255 19162 4338 1 15 . 1 1 60 60 ARG CA C 60 55.751 55.751 55.757 -0.006 19162 4339 1 15 . 1 1 60 60 ARG CB C 60 30.064 30.064 31.994 -1.930 19162 4340 1 15 . 1 1 60 60 ARG H H 60 7.980 7.980 8.681 -0.701 19162 4341 1 15 . 1 1 61 61 ALA N N 61 125.041 125.041 128.141 -3.100 19162 4342 1 15 . 1 1 61 61 ALA C C 61 177.401 177.401 177.724 -0.323 19162 4343 1 15 . 1 1 61 61 ALA CA C 61 52.228 52.228 52.990 -0.762 19162 4344 1 15 . 1 1 61 61 ALA CB C 61 18.804 18.804 18.767 0.037 19162 4345 1 15 . 1 1 61 61 ALA H H 61 8.320 8.320 8.734 -0.414 19162 4346 1 15 . 1 1 62 62 LEU N N 62 121.281 121.281 119.591 1.690 19162 4347 1 15 . 1 1 62 62 LEU C C 62 175.911 175.911 177.896 -1.985 19162 4348 1 15 . 1 1 62 62 LEU CA C 62 54.919 54.919 55.087 -0.168 19162 4349 1 15 . 1 1 62 62 LEU CB C 62 41.657 41.657 40.933 0.724 19162 4350 1 15 . 1 1 62 62 LEU H H 62 8.115 8.115 7.759 0.356 19162 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 57 1.894 0.303 1.886 19162 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 19162 3 1 1 "Average Difference" C 61 1.002 0.247 0.979 19162 4 1 1 "Average Difference" CA 61 1.709 0.469 1.657 19162 5 1 1 "Average Difference" CB 54 0.836 0.113 0.836 19162 6 1 1 "Average Difference" HN 57 0.572 -0.310 0.485 19162 7 1 2 "Average Difference" N 57 2.162 0.606 2.093 19162 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 19162 9 1 2 "Average Difference" C 61 1.070 0.166 1.065 19162 10 1 2 "Average Difference" CA 61 1.637 0.412 1.598 19162 11 1 2 "Average Difference" CB 54 0.787 0.137 0.782 19162 12 1 2 "Average Difference" HN 57 0.591 -0.320 0.501 19162 13 1 3 "Average Difference" N 57 2.200 0.549 2.150 19162 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 19162 15 1 3 "Average Difference" C 61 1.065 0.314 1.027 19162 16 1 3 "Average Difference" CA 61 1.619 0.452 1.567 19162 17 1 3 "Average Difference" CB 54 0.796 0.122 0.794 19162 18 1 3 "Average Difference" HN 57 0.574 -0.315 0.484 19162 19 1 4 "Average Difference" N 57 2.299 0.149 2.314 19162 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 19162 21 1 4 "Average Difference" C 61 1.089 0.142 1.089 19162 22 1 4 "Average Difference" CA 61 1.657 0.326 1.638 19162 23 1 4 "Average Difference" CB 54 0.820 0.163 0.811 19162 24 1 4 "Average Difference" HN 57 0.513 -0.277 0.435 19162 25 1 5 "Average Difference" N 57 2.128 0.227 2.135 19162 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 19162 27 1 5 "Average Difference" C 61 1.107 0.229 1.092 19162 28 1 5 "Average Difference" CA 61 1.605 0.399 1.568 19162 29 1 5 "Average Difference" CB 54 0.872 0.204 0.856 19162 30 1 5 "Average Difference" HN 57 0.546 -0.260 0.485 19162 31 1 6 "Average Difference" N 57 2.110 0.379 2.095 19162 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 19162 33 1 6 "Average Difference" C 61 1.079 0.241 1.061 19162 34 1 6 "Average Difference" CA 61 1.727 0.455 1.680 19162 35 1 6 "Average Difference" CB 54 0.891 0.087 0.895 19162 36 1 6 "Average Difference" HN 57 0.527 -0.251 0.467 19162 37 1 7 "Average Difference" N 57 1.940 0.389 1.918 19162 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 19162 39 1 7 "Average Difference" C 61 1.072 0.228 1.056 19162 40 1 7 "Average Difference" CA 61 1.670 0.375 1.641 19162 41 1 7 "Average Difference" CB 54 0.902 0.189 0.891 19162 42 1 7 "Average Difference" HN 57 0.544 -0.301 0.457 19162 43 1 8 "Average Difference" N 57 2.106 0.223 2.113 19162 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 19162 45 1 8 "Average Difference" C 61 1.041 0.328 0.996 19162 46 1 8 "Average Difference" CA 61 1.735 0.452 1.689 19162 47 1 8 "Average Difference" CB 54 0.850 0.048 0.857 19162 48 1 8 "Average Difference" HN 57 0.554 -0.310 0.464 19162 49 1 9 "Average Difference" N 57 1.923 0.175 1.933 19162 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 19162 51 1 9 "Average Difference" C 61 1.020 0.194 1.010 19162 52 1 9 "Average Difference" CA 61 1.703 0.385 1.673 19162 53 1 9 "Average Difference" CB 54 0.842 0.142 0.838 19162 54 1 9 "Average Difference" HN 57 0.518 -0.267 0.448 19162 55 1 10 "Average Difference" N 57 2.070 0.138 2.084 19162 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 19162 57 1 10 "Average Difference" C 61 1.030 0.295 0.995 19162 58 1 10 "Average Difference" CA 61 1.620 0.419 1.577 19162 59 1 10 "Average Difference" CB 54 0.888 0.106 0.890 19162 60 1 10 "Average Difference" HN 57 0.490 -0.231 0.436 19162 61 1 11 "Average Difference" N 57 2.033 0.480 1.993 19162 62 1 11 "Average Difference" HA 0 0.000 0.000 0.000 19162 63 1 11 "Average Difference" C 61 1.059 0.272 1.031 19162 64 1 11 "Average Difference" CA 61 1.711 0.459 1.662 19162 65 1 11 "Average Difference" CB 54 0.901 0.074 0.906 19162 66 1 11 "Average Difference" HN 57 0.546 -0.326 0.442 19162 67 1 12 "Average Difference" N 57 1.754 0.157 1.762 19162 68 1 12 "Average Difference" HA 0 0.000 0.000 0.000 19162 69 1 12 "Average Difference" C 61 0.998 0.335 0.948 19162 70 1 12 "Average Difference" CA 61 1.701 0.500 1.639 19162 71 1 12 "Average Difference" CB 54 0.917 0.131 0.916 19162 72 1 12 "Average Difference" HN 57 0.510 -0.300 0.416 19162 73 1 13 "Average Difference" N 57 2.190 0.344 2.182 19162 74 1 13 "Average Difference" HA 0 0.000 0.000 0.000 19162 75 1 13 "Average Difference" C 61 1.052 0.221 1.037 19162 76 1 13 "Average Difference" CA 61 1.540 0.456 1.483 19162 77 1 13 "Average Difference" CB 54 0.805 0.168 0.795 19162 78 1 13 "Average Difference" HN 57 0.542 -0.236 0.493 19162 79 1 14 "Average Difference" N 57 1.874 0.087 1.889 19162 80 1 14 "Average Difference" HA 0 0.000 0.000 0.000 19162 81 1 14 "Average Difference" C 61 1.039 0.344 0.988 19162 82 1 14 "Average Difference" CA 61 1.637 0.565 1.549 19162 83 1 14 "Average Difference" CB 54 0.743 0.111 0.742 19162 84 1 14 "Average Difference" HN 57 0.540 -0.258 0.479 19162 85 1 15 "Average Difference" N 57 2.340 0.611 2.279 19162 86 1 15 "Average Difference" HA 0 0.000 0.000 0.000 19162 87 1 15 "Average Difference" C 61 1.053 0.289 1.021 19162 88 1 15 "Average Difference" CA 61 1.632 0.521 1.560 19162 89 1 15 "Average Difference" CB 54 0.715 0.070 0.718 19162 90 1 15 "Average Difference" HN 57 0.543 -0.281 0.468 19162 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 19162 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ALA C C 2 178.255 178.255 177.737 0.518 19162 2 1 . 1 1 2 2 ALA CA C 2 53.263 53.263 53.140 0.123 19162 3 1 . 1 1 2 2 ALA CB C 2 18.411 18.411 19.016 -0.605 19162 4 1 . 1 1 3 3 LYS N N 3 119.081 119.081 119.440 -0.359 19162 5 1 . 1 1 3 3 LYS C C 3 176.752 176.752 175.851 0.901 19162 6 1 . 1 1 3 3 LYS CA C 3 57.816 57.816 56.727 1.089 19162 7 1 . 1 1 3 3 LYS CB C 3 31.751 31.751 31.954 -0.203 19162 8 1 . 1 1 3 3 LYS H H 3 8.607 8.607 8.365 0.242 19162 9 1 . 1 1 4 4 ASN N N 4 118.255 118.255 118.142 0.113 19162 10 1 . 1 1 4 4 ASN C C 4 176.029 176.029 176.156 -0.127 19162 11 1 . 1 1 4 4 ASN CA C 4 54.712 54.712 54.513 0.199 19162 12 1 . 1 1 4 4 ASN CB C 4 38.244 38.244 39.019 -0.775 19162 13 1 . 1 1 4 4 ASN H H 4 8.185 8.185 8.387 -0.202 19162 14 1 . 1 1 5 5 VAL N N 5 119.998 119.998 119.475 0.523 19162 15 1 . 1 1 5 5 VAL C C 5 177.259 177.259 177.498 -0.239 19162 16 1 . 1 1 5 5 VAL CA C 5 64.232 64.232 65.606 -1.374 19162 17 1 . 1 1 5 5 VAL CB C 5 31.524 31.524 31.506 0.018 19162 18 1 . 1 1 5 5 VAL H H 5 7.857 7.857 7.719 0.138 19162 19 1 . 1 1 6 6 ILE N N 6 122.474 122.474 119.613 2.861 19162 20 1 . 1 1 6 6 ILE C C 6 177.009 177.009 178.026 -1.017 19162 21 1 . 1 1 6 6 ILE CA C 6 63.400 63.400 64.782 -1.382 19162 22 1 . 1 1 6 6 ILE CB C 6 37.177 37.177 37.407 -0.231 19162 23 1 . 1 1 6 6 ILE H H 6 8.062 8.062 7.774 0.288 19162 24 1 . 1 1 7 7 VAL N N 7 120.915 120.915 119.464 1.451 19162 25 1 . 1 1 7 7 VAL C C 7 177.009 177.009 177.932 -0.923 19162 26 1 . 1 1 7 7 VAL CA C 7 65.017 65.017 66.301 -1.284 19162 27 1 . 1 1 7 7 VAL CB C 7 31.309 31.309 31.126 0.183 19162 28 1 . 1 1 7 7 VAL H H 7 7.993 7.993 7.821 0.172 19162 29 1 . 1 1 8 8 LEU N N 8 121.098 121.098 119.863 1.235 19162 30 1 . 1 1 8 8 LEU C C 8 178.655 178.655 178.816 -0.161 19162 31 1 . 1 1 8 8 LEU CA C 8 56.781 56.781 58.412 -1.631 19162 32 1 . 1 1 8 8 LEU CB C 8 41.010 41.010 41.334 -0.324 19162 33 1 . 1 1 8 8 LEU H H 8 8.061 8.061 7.683 0.378 19162 34 1 . 1 1 9 9 ASN N N 9 118.347 118.347 117.336 1.011 19162 35 1 . 1 1 9 9 ASN C C 9 176.695 176.695 177.166 -0.471 19162 36 1 . 1 1 9 9 ASN CA C 9 54.919 54.919 56.147 -1.228 19162 37 1 . 1 1 9 9 ASN CB C 9 38.674 38.674 38.186 0.488 19162 38 1 . 1 1 9 9 ASN H H 9 8.102 8.102 7.576 0.526 19162 39 1 . 1 1 10 10 ALA N N 10 124.124 124.124 122.038 2.086 19162 40 1 . 1 1 10 10 ALA C C 10 178.263 178.263 179.308 -1.045 19162 41 1 . 1 1 10 10 ALA CA C 10 54.505 54.505 54.981 -0.476 19162 42 1 . 1 1 10 10 ALA CB C 10 17.942 17.942 18.193 -0.251 19162 43 1 . 1 1 10 10 ALA H H 10 8.388 8.388 7.646 0.742 19162 44 1 . 1 1 11 11 ALA N N 11 119.814 119.814 119.841 -0.027 19162 45 1 . 1 1 11 11 ALA C C 11 179.204 179.204 179.456 -0.252 19162 46 1 . 1 1 11 11 ALA CA C 11 54.298 54.298 55.132 -0.834 19162 47 1 . 1 1 11 11 ALA CB C 11 17.942 17.942 17.975 -0.033 19162 48 1 . 1 1 11 11 ALA H H 11 8.279 8.279 7.865 0.414 19162 49 1 . 1 1 12 12 SER N N 12 113.303 113.303 114.654 -1.351 19162 50 1 . 1 1 12 12 SER C C 12 175.873 175.873 176.471 -0.598 19162 51 1 . 1 1 12 12 SER CA C 12 60.140 60.140 61.099 -0.959 19162 52 1 . 1 1 12 12 SER CB C 12 63.221 63.221 62.697 0.524 19162 53 1 . 1 1 12 12 SER H H 12 7.952 7.952 7.483 0.469 19162 54 1 . 1 1 13 13 ALA N N 13 124.308 124.308 123.511 0.797 19162 55 1 . 1 1 13 13 ALA C C 13 178.420 178.420 179.040 -0.620 19162 56 1 . 1 1 13 13 ALA CA C 13 53.470 53.470 54.736 -1.266 19162 57 1 . 1 1 13 13 ALA CB C 13 18.373 18.373 18.132 0.241 19162 58 1 . 1 1 13 13 ALA H H 13 7.924 7.924 7.529 0.395 19162 59 1 . 1 1 14 14 ALA N N 14 119.998 119.998 120.787 -0.789 19162 60 1 . 1 1 14 14 ALA C C 14 178.420 178.420 179.535 -1.115 19162 61 1 . 1 1 14 14 ALA CA C 14 53.263 53.263 54.364 -1.101 19162 62 1 . 1 1 14 14 ALA CB C 14 18.373 18.373 18.477 -0.104 19162 63 1 . 1 1 14 14 ALA H H 14 7.965 7.965 7.584 0.381 19162 64 1 . 1 1 15 15 GLY N N 15 105.417 105.417 106.944 -1.527 19162 65 1 . 1 1 15 15 GLY C C 15 174.422 174.422 175.898 -1.476 19162 66 1 . 1 1 15 15 GLY CA C 15 45.605 45.605 46.334 -0.729 19162 67 1 . 1 1 15 15 GLY H H 15 8.020 8.020 7.707 0.313 19162 68 1 . 1 1 16 16 ASN N N 16 118.989 118.989 118.772 0.217 19162 69 1 . 1 1 16 16 ASN C C 16 175.598 175.598 176.051 -0.453 19162 70 1 . 1 1 16 16 ASN CA C 16 53.677 53.677 54.488 -0.811 19162 71 1 . 1 1 16 16 ASN CB C 16 38.621 38.621 38.527 0.094 19162 72 1 . 1 1 16 16 ASN H H 16 8.156 8.156 7.463 0.693 19162 73 1 . 1 1 17 17 HIS N N 17 119.081 119.081 120.756 -1.675 19162 74 1 . 1 1 17 17 HIS C C 17 176.068 176.068 174.733 1.335 19162 75 1 . 1 1 17 17 HIS CA C 17 56.781 56.781 57.333 -0.552 19162 76 1 . 1 1 17 17 HIS CB C 17 29.942 29.942 28.385 1.557 19162 77 1 . 1 1 17 17 HIS H H 17 8.322 8.322 7.542 0.780 19162 78 1 . 1 1 18 18 GLY N N 18 109.543 109.543 112.258 -2.715 19162 79 1 . 1 1 18 18 GLY C C 18 175.206 175.206 173.753 1.453 19162 80 1 . 1 1 18 18 GLY CA C 18 47.054 47.054 44.735 2.319 19162 81 1 . 1 1 18 18 GLY H H 18 8.607 8.607 7.791 0.816 19162 82 1 . 1 1 19 19 PHE N N 19 120.640 120.640 124.756 -4.116 19162 83 1 . 1 1 19 19 PHE C C 19 176.695 176.695 175.775 0.920 19162 84 1 . 1 1 19 19 PHE CA C 19 60.507 60.507 59.567 0.940 19162 85 1 . 1 1 19 19 PHE CB C 19 38.638 38.638 38.611 0.027 19162 86 1 . 1 1 19 19 PHE H H 19 8.716 8.716 8.682 0.034 19162 87 1 . 1 1 20 20 PHE N N 20 118.989 118.989 116.699 2.290 19162 88 1 . 1 1 20 20 PHE C C 20 176.617 176.617 177.437 -0.820 19162 89 1 . 1 1 20 20 PHE CA C 20 61.334 61.334 60.367 0.967 19162 90 1 . 1 1 20 20 PHE CB C 20 38.460 38.460 37.583 0.877 19162 91 1 . 1 1 20 20 PHE H H 20 8.143 8.143 7.511 0.632 19162 92 1 . 1 1 21 21 TRP N N 21 118.897 118.897 121.377 -2.480 19162 93 1 . 1 1 21 21 TRP C C 21 178.577 178.577 178.283 0.294 19162 94 1 . 1 1 21 21 TRP CA C 21 59.691 59.691 59.936 -0.245 19162 95 1 . 1 1 21 21 TRP CB C 21 29.636 29.636 29.795 -0.159 19162 96 1 . 1 1 21 21 TRP H H 21 7.911 7.911 7.807 0.104 19162 97 1 . 1 1 22 22 GLY N N 22 105.692 105.692 106.657 -0.965 19162 98 1 . 1 1 22 22 GLY C C 22 174.657 174.657 175.701 -1.044 19162 99 1 . 1 1 22 22 GLY CA C 22 47.261 47.261 46.993 0.268 19162 100 1 . 1 1 22 22 GLY H H 22 8.306 8.306 7.687 0.619 19162 101 1 . 1 1 23 23 LEU N N 23 121.557 121.557 121.922 -0.365 19162 102 1 . 1 1 23 23 LEU C C 23 179.752 179.752 178.565 1.187 19162 103 1 . 1 1 23 23 LEU CA C 23 57.402 57.402 57.418 -0.016 19162 104 1 . 1 1 23 23 LEU CB C 23 40.579 40.579 41.728 -1.149 19162 105 1 . 1 1 23 23 LEU H H 23 7.993 7.993 7.465 0.528 19162 106 1 . 1 1 24 24 LEU N N 24 122.382 122.382 119.657 2.725 19162 107 1 . 1 1 24 24 LEU C C 24 178.185 178.185 178.485 -0.300 19162 108 1 . 1 1 24 24 LEU CA C 24 58.437 58.437 57.765 0.672 19162 109 1 . 1 1 24 24 LEU CB C 24 40.439 40.439 41.163 -0.724 19162 110 1 . 1 1 24 24 LEU H H 24 8.047 8.047 7.202 0.845 19162 111 1 . 1 1 25 25 VAL N N 25 118.255 118.255 117.884 0.371 19162 112 1 . 1 1 25 25 VAL C C 25 177.636 177.636 177.939 -0.303 19162 113 1 . 1 1 25 25 VAL CA C 25 67.129 67.129 66.118 1.011 19162 114 1 . 1 1 25 25 VAL CB C 25 30.813 30.813 31.093 -0.280 19162 115 1 . 1 1 25 25 VAL H H 25 8.102 8.102 7.067 1.035 19162 116 1 . 1 1 26 26 VAL N N 26 118.072 118.072 119.280 -1.208 19162 117 1 . 1 1 26 26 VAL C C 26 177.322 177.322 178.162 -0.840 19162 118 1 . 1 1 26 26 VAL CA C 26 66.686 66.686 66.710 -0.024 19162 119 1 . 1 1 26 26 VAL CB C 26 30.653 30.653 31.119 -0.466 19162 120 1 . 1 1 26 26 VAL H H 26 8.088 8.088 7.376 0.712 19162 121 1 . 1 1 27 27 THR N N 27 116.788 116.788 116.249 0.539 19162 122 1 . 1 1 27 27 THR C C 27 177.322 177.322 176.731 0.591 19162 123 1 . 1 1 27 27 THR CA C 27 67.750 67.750 66.555 1.195 19162 124 1 . 1 1 27 27 THR H H 27 8.047 8.047 7.953 0.094 19162 125 1 . 1 1 28 28 LEU N N 28 122.932 122.932 122.207 0.725 19162 126 1 . 1 1 28 28 LEU C C 28 178.499 178.499 178.453 0.046 19162 127 1 . 1 1 28 28 LEU CA C 28 58.230 58.230 58.079 0.151 19162 128 1 . 1 1 28 28 LEU CB C 28 40.794 40.794 41.285 -0.491 19162 129 1 . 1 1 28 28 LEU H H 28 8.429 8.429 7.999 0.430 19162 130 1 . 1 1 29 29 ALA N N 29 121.190 121.190 121.860 -0.670 19162 131 1 . 1 1 29 29 ALA C C 29 178.890 178.890 179.680 -0.790 19162 132 1 . 1 1 29 29 ALA CA C 29 55.333 55.333 54.862 0.471 19162 133 1 . 1 1 29 29 ALA CB C 29 17.727 17.727 18.220 -0.493 19162 134 1 . 1 1 29 29 ALA H H 29 8.607 8.607 7.644 0.963 19162 135 1 . 1 1 30 30 TRP N N 30 118.622 118.622 119.143 -0.521 19162 136 1 . 1 1 30 30 TRP C C 30 178.420 178.420 179.000 -0.580 19162 137 1 . 1 1 30 30 TRP CA C 30 60.300 60.300 60.631 -0.331 19162 138 1 . 1 1 30 30 TRP CB C 30 28.937 28.937 29.447 -0.510 19162 139 1 . 1 1 30 30 TRP H H 30 8.538 8.538 7.901 0.637 19162 140 1 . 1 1 31 31 HIS N N 31 117.888 117.888 119.784 -1.896 19162 141 1 . 1 1 31 31 HIS C C 31 177.949 177.949 177.574 0.375 19162 142 1 . 1 1 31 31 HIS CA C 31 59.886 59.886 59.862 0.024 19162 143 1 . 1 1 31 31 HIS CB C 31 30.015 30.015 30.217 -0.202 19162 144 1 . 1 1 31 31 HIS H H 31 8.238 8.238 8.019 0.219 19162 145 1 . 1 1 32 32 VAL N N 32 116.788 116.788 115.399 1.389 19162 146 1 . 1 1 32 32 VAL C C 32 177.401 177.401 176.947 0.454 19162 147 1 . 1 1 32 32 VAL CA C 32 64.853 64.853 64.543 0.310 19162 148 1 . 1 1 32 32 VAL CB C 32 30.877 30.877 30.966 -0.089 19162 149 1 . 1 1 32 32 VAL H H 32 8.429 8.429 7.738 0.691 19162 150 1 . 1 1 33 33 LYS N N 33 120.548 120.548 121.125 -0.577 19162 151 1 . 1 1 33 33 LYS C C 33 177.636 177.636 178.813 -1.177 19162 152 1 . 1 1 33 33 LYS CA C 33 58.851 58.851 59.927 -1.076 19162 153 1 . 1 1 33 33 LYS CB C 33 31.134 31.134 31.716 -0.582 19162 154 1 . 1 1 33 33 LYS H H 33 8.047 8.047 7.574 0.473 19162 155 1 . 1 1 34 34 GLY N N 34 106.701 106.701 104.884 1.817 19162 156 1 . 1 1 34 34 GLY C C 34 174.814 174.814 176.260 -1.446 19162 157 1 . 1 1 34 34 GLY CA C 34 46.019 46.019 46.529 -0.510 19162 158 1 . 1 1 34 34 GLY H H 34 7.938 7.938 7.887 0.051 19162 159 1 . 1 1 35 35 ARG N N 35 118.164 118.164 121.588 -3.424 19162 160 1 . 1 1 35 35 ARG C C 35 176.460 176.460 178.300 -1.840 19162 161 1 . 1 1 35 35 ARG CA C 35 55.954 55.954 58.428 -2.474 19162 162 1 . 1 1 35 35 ARG CB C 35 29.799 29.799 29.864 -0.065 19162 163 1 . 1 1 35 35 ARG H H 35 7.624 7.624 7.490 0.134 19162 164 1 . 1 1 36 36 LEU N N 36 118.897 118.897 119.734 -0.837 19162 165 1 . 1 1 36 36 LEU C C 36 176.539 176.539 178.357 -1.818 19162 166 1 . 1 1 36 36 LEU CA C 36 55.540 55.540 57.952 -2.412 19162 167 1 . 1 1 36 36 LEU CB C 36 42.303 42.303 41.980 0.323 19162 168 1 . 1 1 36 36 LEU H H 36 7.720 7.720 8.111 -0.391 19162 169 1 . 1 1 37 37 VAL N N 37 118.530 118.530 117.773 0.757 19162 170 1 . 1 1 37 37 VAL C C 37 173.804 173.804 175.392 -1.588 19162 171 1 . 1 1 37 37 VAL CA C 37 59.472 59.472 67.692 -8.220 19162 172 1 . 1 1 37 37 VAL CB C 37 31.722 31.722 28.915 2.807 19162 173 1 . 1 1 37 37 VAL H H 37 7.911 7.911 7.467 0.444 19162 174 1 . 1 1 38 38 PRO C C 38 177.636 177.636 178.485 -0.849 19162 175 1 . 1 1 38 38 PRO CA C 38 63.611 63.611 65.127 -1.517 19162 176 1 . 1 1 38 38 PRO CB C 38 31.093 31.093 31.332 -0.239 19162 177 1 . 1 1 39 39 GLY N N 39 109.268 109.268 106.618 2.650 19162 178 1 . 1 1 39 39 GLY C C 39 174.422 174.422 175.323 -0.901 19162 179 1 . 1 1 39 39 GLY CA C 39 45.192 45.192 46.176 -0.984 19162 180 1 . 1 1 39 39 GLY H H 39 8.525 8.525 7.707 0.818 19162 181 1 . 1 1 40 40 ALA N N 40 123.391 123.391 123.306 0.085 19162 182 1 . 1 1 40 40 ALA C C 40 178.028 178.028 177.899 0.129 19162 183 1 . 1 1 40 40 ALA CA C 40 52.642 52.642 53.768 -1.126 19162 184 1 . 1 1 40 40 ALA CB C 40 18.804 18.804 19.101 -0.297 19162 185 1 . 1 1 40 40 ALA H H 40 7.965 7.965 7.554 0.411 19162 186 1 . 1 1 41 41 THR N N 41 113.028 113.028 112.295 0.733 19162 187 1 . 1 1 41 41 THR C C 41 175.363 175.363 173.728 1.635 19162 188 1 . 1 1 41 41 THR CA C 41 62.162 62.162 62.036 0.126 19162 189 1 . 1 1 41 41 THR CB C 41 69.467 69.467 68.675 0.792 19162 190 1 . 1 1 41 41 THR H H 41 8.115 8.115 7.567 0.548 19162 191 1 . 1 1 42 42 TYR N N 42 121.373 121.373 125.039 -3.666 19162 192 1 . 1 1 42 42 TYR C C 42 176.303 176.303 174.020 2.283 19162 193 1 . 1 1 42 42 TYR CA C 42 59.473 59.473 56.918 2.555 19162 194 1 . 1 1 42 42 TYR CB C 42 37.992 37.992 38.216 -0.224 19162 195 1 . 1 1 42 42 TYR H H 42 8.429 8.429 7.616 0.813 19162 196 1 . 1 1 43 43 LEU N N 43 119.906 119.906 121.511 -1.605 19162 197 1 . 1 1 43 43 LEU C C 43 177.405 177.405 176.420 0.985 19162 198 1 . 1 1 43 43 LEU CA C 43 55.540 55.540 54.127 1.413 19162 199 1 . 1 1 43 43 LEU CB C 43 41.455 41.455 43.595 -2.140 19162 200 1 . 1 1 43 43 LEU H H 43 7.899 7.899 8.339 -0.440 19162 201 1 . 1 1 44 44 SER N N 44 115.779 115.779 116.141 -0.362 19162 202 1 . 1 1 44 44 SER C C 44 175.049 175.049 174.433 0.616 19162 203 1 . 1 1 44 44 SER CA C 44 59.058 59.058 57.867 1.191 19162 204 1 . 1 1 44 44 SER CB C 44 63.649 63.649 62.886 0.763 19162 205 1 . 1 1 44 44 SER H H 44 7.979 7.979 8.269 -0.290 19162 206 1 . 1 1 45 45 LEU N N 45 122.199 122.199 126.548 -4.349 19162 207 1 . 1 1 45 45 LEU C C 45 177.322 177.322 178.683 -1.361 19162 208 1 . 1 1 45 45 LEU CA C 45 55.747 55.747 55.635 0.112 19162 209 1 . 1 1 45 45 LEU CB C 45 41.441 41.441 42.146 -0.705 19162 210 1 . 1 1 45 45 LEU H H 45 8.211 8.211 8.629 -0.418 19162 211 1 . 1 1 46 46 GLY N N 46 105.325 105.325 107.133 -1.808 19162 212 1 . 1 1 46 46 GLY C C 46 174.422 174.422 175.060 -0.638 19162 213 1 . 1 1 46 46 GLY CA C 46 45.812 45.812 45.737 0.075 19162 214 1 . 1 1 46 46 GLY H H 46 8.129 8.129 8.498 -0.369 19162 215 1 . 1 1 47 47 VAL N N 47 117.063 117.063 117.376 -0.313 19162 216 1 . 1 1 47 47 VAL C C 47 177.087 177.087 176.442 0.645 19162 217 1 . 1 1 47 47 VAL CA C 47 62.783 62.783 62.406 0.377 19162 218 1 . 1 1 47 47 VAL CB C 47 31.524 31.524 32.693 -1.169 19162 219 1 . 1 1 47 47 VAL H H 47 7.897 7.897 7.688 0.209 19162 220 1 . 1 1 48 48 TRP N N 48 121.465 121.465 124.047 -2.582 19162 221 1 . 1 1 48 48 TRP C C 48 175.284 175.284 175.388 -0.104 19162 222 1 . 1 1 48 48 TRP CA C 48 60.921 60.921 61.454 -0.533 19162 223 1 . 1 1 48 48 TRP CB C 48 27.644 27.644 27.702 -0.058 19162 224 1 . 1 1 48 48 TRP H H 48 7.938 7.938 8.561 -0.623 19162 225 1 . 1 1 49 49 PRO C C 49 177.610 177.610 178.283 -0.673 19162 226 1 . 1 1 49 49 PRO CA C 49 65.888 65.888 64.846 1.042 19162 227 1 . 1 1 49 49 PRO CB C 49 30.599 30.599 31.240 -0.641 19162 228 1 . 1 1 50 50 LEU N N 50 115.596 115.596 119.052 -3.456 19162 229 1 . 1 1 50 50 LEU C C 50 179.125 179.125 179.181 -0.056 19162 230 1 . 1 1 50 50 LEU CA C 50 57.195 57.195 57.493 -0.298 19162 231 1 . 1 1 50 50 LEU CB C 50 40.579 40.579 41.522 -0.942 19162 232 1 . 1 1 50 50 LEU H H 50 7.215 7.215 7.857 -0.642 19162 233 1 . 1 1 51 51 LEU N N 51 119.906 119.906 118.933 0.973 19162 234 1 . 1 1 51 51 LEU C C 51 178.812 178.812 178.968 -0.156 19162 235 1 . 1 1 51 51 LEU CA C 51 57.402 57.402 57.948 -0.546 19162 236 1 . 1 1 51 51 LEU CB C 51 41.027 41.027 41.326 -0.299 19162 237 1 . 1 1 51 51 LEU H H 51 7.856 7.856 7.452 0.404 19162 238 1 . 1 1 52 52 LEU N N 52 117.980 117.980 118.324 -0.344 19162 239 1 . 1 1 52 52 LEU C C 52 178.655 178.655 179.230 -0.575 19162 240 1 . 1 1 52 52 LEU CA C 52 57.753 57.753 57.597 0.156 19162 241 1 . 1 1 52 52 LEU CB C 52 40.974 40.974 41.002 -0.028 19162 242 1 . 1 1 52 52 LEU H H 52 7.965 7.965 7.322 0.643 19162 243 1 . 1 1 53 53 VAL N N 53 117.063 117.063 117.661 -0.598 19162 244 1 . 1 1 53 53 VAL C C 53 177.636 177.636 177.660 -0.024 19162 245 1 . 1 1 53 53 VAL CA C 53 66.302 66.302 65.916 0.386 19162 246 1 . 1 1 53 53 VAL CB C 53 30.877 30.877 31.051 -0.174 19162 247 1 . 1 1 53 53 VAL H H 53 7.774 7.774 7.654 0.120 19162 248 1 . 1 1 54 54 ARG N N 54 118.439 118.439 119.953 -1.514 19162 249 1 . 1 1 54 54 ARG C C 54 178.263 178.263 177.979 0.284 19162 250 1 . 1 1 54 54 ARG CA C 54 58.230 58.230 59.390 -1.160 19162 251 1 . 1 1 54 54 ARG CB C 54 29.368 29.368 29.961 -0.593 19162 252 1 . 1 1 54 54 ARG H H 54 7.665 7.665 7.701 -0.036 19162 253 1 . 1 1 55 55 LEU N N 55 117.888 117.888 118.254 -0.366 19162 254 1 . 1 1 55 55 LEU C C 55 177.649 177.649 178.701 -1.052 19162 255 1 . 1 1 55 55 LEU CA C 55 56.521 56.521 57.219 -0.698 19162 256 1 . 1 1 55 55 LEU CB C 55 42.097 42.097 41.912 0.185 19162 257 1 . 1 1 55 55 LEU H H 55 7.789 7.789 7.525 0.264 19162 258 1 . 1 1 56 56 LEU N N 56 116.146 116.146 118.491 -2.345 19162 259 1 . 1 1 56 56 LEU C C 56 176.930 176.930 178.541 -1.611 19162 260 1 . 1 1 56 56 LEU CA C 56 55.333 55.333 57.093 -1.760 19162 261 1 . 1 1 56 56 LEU CB C 56 41.990 41.990 41.771 0.219 19162 262 1 . 1 1 56 56 LEU H H 56 7.693 7.693 7.318 0.375 19162 263 1 . 1 1 57 57 ARG N N 57 118.897 118.897 120.000 -1.103 19162 264 1 . 1 1 57 57 ARG C C 57 173.795 173.795 176.120 -2.325 19162 265 1 . 1 1 57 57 ARG CA C 57 54.919 54.919 59.928 -5.010 19162 266 1 . 1 1 57 57 ARG CB C 57 29.153 29.153 28.691 0.462 19162 267 1 . 1 1 57 57 ARG H H 57 7.856 7.856 8.241 -0.385 19162 268 1 . 1 1 58 58 PRO C C 58 177.009 177.009 176.835 0.174 19162 269 1 . 1 1 58 58 PRO CA C 58 63.611 63.611 63.751 -0.140 19162 270 1 . 1 1 58 58 PRO CB C 58 31.027 31.027 31.724 -0.697 19162 271 1 . 1 1 59 59 HIS N N 59 119.264 119.264 116.377 2.887 19162 272 1 . 1 1 59 59 HIS C C 59 175.520 175.520 174.444 1.076 19162 273 1 . 1 1 59 59 HIS CA C 59 56.574 56.574 57.254 -0.680 19162 274 1 . 1 1 59 59 HIS CB C 59 30.446 30.446 29.931 0.515 19162 275 1 . 1 1 59 59 HIS H H 59 8.375 8.375 8.046 0.329 19162 276 1 . 1 1 60 60 ARG N N 60 122.382 122.382 120.553 1.829 19162 277 1 . 1 1 60 60 ARG C C 60 175.598 175.598 174.589 1.009 19162 278 1 . 1 1 60 60 ARG CA C 60 55.751 55.751 56.110 -0.359 19162 279 1 . 1 1 60 60 ARG CB C 60 30.064 30.064 31.310 -1.246 19162 280 1 . 1 1 60 60 ARG H H 60 7.980 7.980 8.176 -0.196 19162 281 1 . 1 1 61 61 ALA N N 61 125.041 125.041 124.935 0.106 19162 282 1 . 1 1 61 61 ALA C C 61 177.401 177.401 177.210 0.191 19162 283 1 . 1 1 61 61 ALA CA C 61 52.228 52.228 52.737 -0.509 19162 284 1 . 1 1 61 61 ALA CB C 61 18.804 18.804 18.708 0.096 19162 285 1 . 1 1 61 61 ALA H H 61 8.320 8.320 8.584 -0.264 19162 286 1 . 1 1 62 62 LEU N N 62 121.281 121.281 119.843 1.438 19162 287 1 . 1 1 62 62 LEU C C 62 175.911 175.911 177.277 -1.366 19162 288 1 . 1 1 62 62 LEU CA C 62 54.919 54.919 54.858 0.061 19162 289 1 . 1 1 62 62 LEU CB C 62 41.657 41.657 41.357 0.300 19162 290 1 . 1 1 62 62 LEU H H 62 8.115 8.115 8.066 0.049 19162 stop_ save_