data_18186 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18186 _Entry.PDB_ID 2LNZ 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 18186 _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 26 26 GLU N N 174 123.201 123.201 123.718 -0.517 18186 2 1 1 . 1 1 26 26 GLU HA H 174 4.422 4.422 4.740 -0.318 18186 3 1 1 . 1 1 26 26 GLU C C 174 176.498 176.498 175.361 1.137 18186 4 1 1 . 1 1 26 26 GLU CA C 174 55.987 55.987 55.858 0.129 18186 5 1 1 . 1 1 26 26 GLU CB C 174 30.674 30.674 29.072 1.602 18186 6 1 1 . 1 1 26 26 GLU H H 174 8.463 8.463 8.690 -0.227 18186 7 1 1 . 1 1 27 27 LEU N N 175 125.204 125.204 124.160 1.044 18186 8 1 1 . 1 1 27 27 LEU HA H 175 4.464 4.464 4.754 -0.290 18186 9 1 1 . 1 1 27 27 LEU C C 175 176.514 176.514 176.208 0.306 18186 10 1 1 . 1 1 27 27 LEU CA C 175 55.039 55.039 54.695 0.344 18186 11 1 1 . 1 1 27 27 LEU CB C 175 42.868 42.868 44.315 -1.446 18186 12 1 1 . 1 1 27 27 LEU H H 175 8.479 8.479 7.932 0.547 18186 13 1 1 . 1 1 28 28 THR N N 176 117.260 117.260 117.766 -0.506 18186 14 1 1 . 1 1 28 28 THR HA H 176 4.430 4.430 4.578 -0.148 18186 15 1 1 . 1 1 28 28 THR C C 176 173.007 173.007 173.223 -0.216 18186 16 1 1 . 1 1 28 28 THR CA C 176 61.148 61.148 62.032 -0.884 18186 17 1 1 . 1 1 28 28 THR CB C 176 70.400 70.400 69.585 0.814 18186 18 1 1 . 1 1 28 28 THR H H 176 8.363 8.363 8.310 0.053 18186 19 1 1 . 1 1 29 29 VAL N N 177 124.841 124.841 125.433 -0.592 18186 20 1 1 . 1 1 29 29 VAL HA H 177 3.604 3.604 4.009 -0.405 18186 21 1 1 . 1 1 29 29 VAL CA C 177 59.318 59.318 58.116 1.202 18186 22 1 1 . 1 1 29 29 VAL CB C 177 33.054 33.054 32.423 0.631 18186 23 1 1 . 1 1 29 29 VAL H H 177 7.950 7.950 8.144 -0.194 18186 24 1 1 . 1 1 30 30 PRO HA H 178 4.797 4.797 4.478 0.319 18186 25 1 1 . 1 1 30 30 PRO C C 178 175.813 175.813 176.586 -0.773 18186 26 1 1 . 1 1 30 30 PRO CA C 178 60.737 60.737 62.632 -1.895 18186 27 1 1 . 1 1 30 30 PRO CB C 178 28.074 28.074 30.317 -2.243 18186 28 1 1 . 1 1 31 31 TRP N N 179 125.415 125.415 124.773 0.642 18186 29 1 1 . 1 1 31 31 TRP HA H 179 4.179 4.179 4.233 -0.054 18186 30 1 1 . 1 1 31 31 TRP C C 179 177.545 177.545 177.678 -0.133 18186 31 1 1 . 1 1 31 31 TRP CA C 179 60.702 60.702 60.053 0.649 18186 32 1 1 . 1 1 31 31 TRP CB C 179 30.098 30.098 29.253 0.845 18186 33 1 1 . 1 1 31 31 TRP H H 179 7.898 7.898 7.875 0.023 18186 34 1 1 . 1 1 32 32 ASP N N 180 117.166 117.166 120.485 -3.319 18186 35 1 1 . 1 1 32 32 ASP HA H 180 4.480 4.480 4.362 0.118 18186 36 1 1 . 1 1 32 32 ASP C C 180 179.109 179.109 177.443 1.666 18186 37 1 1 . 1 1 32 32 ASP CA C 180 57.553 57.553 57.991 -0.438 18186 38 1 1 . 1 1 32 32 ASP CB C 180 39.449 39.449 40.130 -0.681 18186 39 1 1 . 1 1 32 32 ASP H H 180 8.740 8.740 8.644 0.096 18186 40 1 1 . 1 1 33 33 ASP N N 181 121.203 121.203 119.967 1.236 18186 41 1 1 . 1 1 33 33 ASP HA H 181 4.493 4.493 4.420 0.073 18186 42 1 1 . 1 1 33 33 ASP C C 181 179.288 179.288 178.629 0.659 18186 43 1 1 . 1 1 33 33 ASP CA C 181 57.069 57.069 57.353 -0.284 18186 44 1 1 . 1 1 33 33 ASP CB C 181 40.808 40.808 40.623 0.185 18186 45 1 1 . 1 1 33 33 ASP H H 181 7.713 7.713 8.475 -0.762 18186 46 1 1 . 1 1 34 34 ILE N N 182 122.718 122.718 120.217 2.501 18186 47 1 1 . 1 1 34 34 ILE HA H 182 3.479 3.479 3.647 -0.168 18186 48 1 1 . 1 1 34 34 ILE C C 182 176.679 176.679 177.486 -0.807 18186 49 1 1 . 1 1 34 34 ILE CA C 182 65.867 65.867 65.359 0.508 18186 50 1 1 . 1 1 34 34 ILE CB C 182 37.745 37.745 37.926 -0.181 18186 51 1 1 . 1 1 34 34 ILE H H 182 7.979 7.979 8.251 -0.272 18186 52 1 1 . 1 1 35 35 GLU N N 183 122.734 122.734 120.681 2.053 18186 53 1 1 . 1 1 35 35 GLU HA H 183 3.856 3.856 4.004 -0.148 18186 54 1 1 . 1 1 35 35 GLU C C 183 178.061 178.061 178.900 -0.839 18186 55 1 1 . 1 1 35 35 GLU CA C 183 61.190 61.190 59.756 1.434 18186 56 1 1 . 1 1 35 35 GLU CB C 183 29.306 29.306 29.638 -0.332 18186 57 1 1 . 1 1 35 35 GLU H H 183 8.938 8.938 8.196 0.742 18186 58 1 1 . 1 1 36 36 ALA N N 184 119.761 119.761 122.043 -2.282 18186 59 1 1 . 1 1 36 36 ALA HA H 184 4.022 4.022 4.058 -0.036 18186 60 1 1 . 1 1 36 36 ALA C C 184 180.257 180.257 179.218 1.039 18186 61 1 1 . 1 1 36 36 ALA CA C 184 55.378 55.378 55.224 0.154 18186 62 1 1 . 1 1 36 36 ALA CB C 184 18.118 18.118 18.445 -0.327 18186 63 1 1 . 1 1 36 36 ALA H H 184 7.675 7.675 7.897 -0.222 18186 64 1 1 . 1 1 37 37 LEU N N 185 120.850 120.850 120.663 0.187 18186 65 1 1 . 1 1 37 37 LEU HA H 185 4.168 4.168 4.172 -0.004 18186 66 1 1 . 1 1 37 37 LEU C C 185 179.866 179.866 178.754 1.112 18186 67 1 1 . 1 1 37 37 LEU CA C 185 58.236 58.236 57.957 0.279 18186 68 1 1 . 1 1 37 37 LEU CB C 185 41.824 41.824 42.074 -0.250 18186 69 1 1 . 1 1 37 37 LEU H H 185 7.563 7.563 7.796 -0.233 18186 70 1 1 . 1 1 38 38 LEU N N 186 120.391 120.391 118.822 1.569 18186 71 1 1 . 1 1 38 38 LEU HA H 186 3.677 3.677 4.167 -0.490 18186 72 1 1 . 1 1 38 38 LEU C C 186 178.449 178.449 179.422 -0.973 18186 73 1 1 . 1 1 38 38 LEU CA C 186 57.844 57.844 57.464 0.380 18186 74 1 1 . 1 1 38 38 LEU CB C 186 41.641 41.641 40.587 1.054 18186 75 1 1 . 1 1 38 38 LEU H H 186 8.633 8.633 8.624 0.009 18186 76 1 1 . 1 1 39 39 LYS N N 187 119.670 119.670 120.697 -1.027 18186 77 1 1 . 1 1 39 39 LYS HA H 187 3.778 3.778 3.986 -0.208 18186 78 1 1 . 1 1 39 39 LYS C C 187 178.295 178.295 178.340 -0.045 18186 79 1 1 . 1 1 39 39 LYS CA C 187 60.595 60.595 60.172 0.423 18186 80 1 1 . 1 1 39 39 LYS CB C 187 32.354 32.354 32.440 -0.086 18186 81 1 1 . 1 1 39 39 LYS H H 187 8.641 8.641 8.232 0.409 18186 82 1 1 . 1 1 40 40 ASN N N 188 115.677 115.677 117.025 -1.348 18186 83 1 1 . 1 1 40 40 ASN HA H 188 4.529 4.529 4.489 0.040 18186 84 1 1 . 1 1 40 40 ASN C C 188 177.759 177.759 178.573 -0.814 18186 85 1 1 . 1 1 40 40 ASN CA C 188 55.888 55.888 56.076 -0.188 18186 86 1 1 . 1 1 40 40 ASN CB C 188 38.679 38.679 38.538 0.141 18186 87 1 1 . 1 1 40 40 ASN H H 188 7.411 7.411 8.162 -0.751 18186 88 1 1 . 1 1 41 41 ASN N N 189 119.819 119.819 117.821 1.998 18186 89 1 1 . 1 1 41 41 ASN HA H 189 4.279 4.279 4.456 -0.177 18186 90 1 1 . 1 1 41 41 ASN C C 189 176.175 176.175 175.776 0.399 18186 91 1 1 . 1 1 41 41 ASN CA C 189 56.664 56.664 55.681 0.984 18186 92 1 1 . 1 1 41 41 ASN CB C 189 39.680 39.680 38.557 1.123 18186 93 1 1 . 1 1 41 41 ASN H H 189 8.367 8.367 8.284 0.083 18186 94 1 1 . 1 1 42 42 PHE N N 190 115.910 115.910 117.052 -1.142 18186 95 1 1 . 1 1 42 42 PHE HA H 190 4.960 4.960 4.798 0.162 18186 96 1 1 . 1 1 42 42 PHE C C 190 175.606 175.606 175.003 0.603 18186 97 1 1 . 1 1 42 42 PHE CA C 190 55.918 55.918 56.270 -0.352 18186 98 1 1 . 1 1 42 42 PHE CB C 190 37.143 37.143 38.327 -1.184 18186 99 1 1 . 1 1 42 42 PHE H H 190 8.424 8.424 7.895 0.529 18186 100 1 1 . 1 1 43 43 GLU N N 191 119.788 119.788 122.394 -2.606 18186 101 1 1 . 1 1 43 43 GLU HA H 191 4.003 4.003 3.950 0.053 18186 102 1 1 . 1 1 43 43 GLU C C 191 176.533 176.533 176.005 0.528 18186 103 1 1 . 1 1 43 43 GLU CA C 191 57.986 57.986 58.235 -0.249 18186 104 1 1 . 1 1 43 43 GLU CB C 191 27.992 27.992 27.422 0.570 18186 105 1 1 . 1 1 43 43 GLU H H 191 7.813 7.813 7.974 -0.161 18186 106 1 1 . 1 1 44 44 ASN N N 192 111.889 111.889 117.443 -5.554 18186 107 1 1 . 1 1 44 44 ASN HA H 192 4.257 4.257 4.726 -0.469 18186 108 1 1 . 1 1 44 44 ASN C C 192 174.399 174.399 174.042 0.357 18186 109 1 1 . 1 1 44 44 ASN CA C 192 54.532 54.532 54.123 0.409 18186 110 1 1 . 1 1 44 44 ASN CB C 192 37.989 37.989 40.026 -2.037 18186 111 1 1 . 1 1 44 44 ASN H H 192 9.162 9.162 8.781 0.381 18186 112 1 1 . 1 1 45 45 ASP N N 193 118.609 118.609 124.059 -5.450 18186 113 1 1 . 1 1 45 45 ASP HA H 193 4.773 4.773 4.965 -0.192 18186 114 1 1 . 1 1 45 45 ASP C C 193 175.994 175.994 176.173 -0.179 18186 115 1 1 . 1 1 45 45 ASP CA C 193 53.393 53.393 53.544 -0.151 18186 116 1 1 . 1 1 45 45 ASP CB C 193 40.525 40.525 40.630 -0.105 18186 117 1 1 . 1 1 45 45 ASP H H 193 7.571 7.571 8.303 -0.732 18186 118 1 1 . 1 1 46 46 GLN N N 194 124.969 124.969 122.075 2.894 18186 119 1 1 . 1 1 46 46 GLN HA H 194 3.947 3.947 4.018 -0.071 18186 120 1 1 . 1 1 46 46 GLN C C 194 178.265 178.265 177.616 0.649 18186 121 1 1 . 1 1 46 46 GLN CA C 194 58.622 58.622 58.727 -0.105 18186 122 1 1 . 1 1 46 46 GLN CB C 194 28.410 28.410 28.416 -0.006 18186 123 1 1 . 1 1 46 46 GLN H H 194 8.483 8.483 8.060 0.423 18186 124 1 1 . 1 1 47 47 ALA N N 195 122.283 122.283 120.770 1.513 18186 125 1 1 . 1 1 47 47 ALA HA H 195 4.118 4.118 3.916 0.202 18186 126 1 1 . 1 1 47 47 ALA C C 195 180.158 180.158 178.599 1.559 18186 127 1 1 . 1 1 47 47 ALA CA C 195 55.047 55.047 54.776 0.271 18186 128 1 1 . 1 1 47 47 ALA CB C 195 17.990 17.990 17.956 0.034 18186 129 1 1 . 1 1 47 47 ALA H H 195 8.259 8.259 8.649 -0.390 18186 130 1 1 . 1 1 48 48 ALA N N 196 122.453 122.453 121.010 1.443 18186 131 1 1 . 1 1 48 48 ALA HA H 196 3.885 3.885 3.921 -0.036 18186 132 1 1 . 1 1 48 48 ALA C C 196 179.094 179.094 179.213 -0.119 18186 133 1 1 . 1 1 48 48 ALA CA C 196 54.761 54.761 54.246 0.515 18186 134 1 1 . 1 1 48 48 ALA CB C 196 18.090 18.090 17.761 0.329 18186 135 1 1 . 1 1 48 48 ALA H H 196 7.576 7.576 7.359 0.217 18186 136 1 1 . 1 1 49 49 VAL N N 197 115.834 115.834 119.161 -3.327 18186 137 1 1 . 1 1 49 49 VAL HA H 197 3.262 3.262 3.444 -0.182 18186 138 1 1 . 1 1 49 49 VAL C C 197 177.538 177.538 177.995 -0.457 18186 139 1 1 . 1 1 49 49 VAL CA C 197 67.330 67.330 67.368 -0.038 18186 140 1 1 . 1 1 49 49 VAL CB C 197 32.065 32.065 31.210 0.854 18186 141 1 1 . 1 1 49 49 VAL H H 197 7.635 7.635 7.684 -0.049 18186 142 1 1 . 1 1 50 50 ARG N N 198 117.335 117.335 119.221 -1.886 18186 143 1 1 . 1 1 50 50 ARG HA H 198 3.966 3.966 3.876 0.090 18186 144 1 1 . 1 1 50 50 ARG C C 198 178.504 178.504 178.593 -0.089 18186 145 1 1 . 1 1 50 50 ARG CA C 198 59.205 59.205 60.145 -0.939 18186 146 1 1 . 1 1 50 50 ARG CB C 198 29.917 29.917 29.842 0.075 18186 147 1 1 . 1 1 50 50 ARG H H 198 8.022 8.022 8.073 -0.051 18186 148 1 1 . 1 1 51 51 GLN N N 199 117.513 117.513 118.013 -0.500 18186 149 1 1 . 1 1 51 51 GLN HA H 199 4.079 4.079 4.004 0.075 18186 150 1 1 . 1 1 51 51 GLN C C 199 179.594 179.594 178.840 0.754 18186 151 1 1 . 1 1 51 51 GLN CA C 199 59.209 59.209 58.826 0.383 18186 152 1 1 . 1 1 51 51 GLN CB C 199 29.186 29.186 28.701 0.485 18186 153 1 1 . 1 1 51 51 GLN H H 199 7.849 7.849 7.865 -0.016 18186 154 1 1 . 1 1 52 52 VAL N N 200 120.041 120.041 116.284 3.757 18186 155 1 1 . 1 1 52 52 VAL HA H 200 3.984 3.984 3.798 0.186 18186 156 1 1 . 1 1 52 52 VAL C C 200 177.885 177.885 177.910 -0.025 18186 157 1 1 . 1 1 52 52 VAL CA C 200 67.197 67.197 65.825 1.372 18186 158 1 1 . 1 1 52 52 VAL CB C 200 31.849 31.849 31.701 0.148 18186 159 1 1 . 1 1 52 52 VAL H H 200 8.189 8.189 8.173 0.016 18186 160 1 1 . 1 1 53 53 MET N N 201 118.360 118.360 119.825 -1.465 18186 161 1 1 . 1 1 53 53 MET HA H 201 4.384 4.384 4.296 0.088 18186 162 1 1 . 1 1 53 53 MET C C 201 178.909 178.909 178.847 0.062 18186 163 1 1 . 1 1 53 53 MET CA C 201 56.727 56.727 57.560 -0.833 18186 164 1 1 . 1 1 53 53 MET CB C 201 30.041 30.041 31.258 -1.217 18186 165 1 1 . 1 1 53 53 MET H H 201 8.824 8.824 8.165 0.659 18186 166 1 1 . 1 1 54 54 GLU N N 202 117.888 117.888 118.857 -0.969 18186 167 1 1 . 1 1 54 54 GLU HA H 202 3.971 3.971 3.970 0.001 18186 168 1 1 . 1 1 54 54 GLU C C 202 179.317 179.317 179.057 0.260 18186 169 1 1 . 1 1 54 54 GLU CA C 202 59.753 59.753 59.133 0.620 18186 170 1 1 . 1 1 54 54 GLU CB C 202 29.433 29.433 29.323 0.110 18186 171 1 1 . 1 1 54 54 GLU H H 202 8.610 8.610 8.590 0.020 18186 172 1 1 . 1 1 55 55 ARG N N 203 120.547 120.547 120.977 -0.430 18186 173 1 1 . 1 1 55 55 ARG HA H 203 4.137 4.137 4.189 -0.052 18186 174 1 1 . 1 1 55 55 ARG C C 203 178.586 178.586 178.695 -0.109 18186 175 1 1 . 1 1 55 55 ARG CA C 203 59.981 59.981 59.006 0.975 18186 176 1 1 . 1 1 55 55 ARG CB C 203 29.915 29.915 30.244 -0.329 18186 177 1 1 . 1 1 55 55 ARG H H 203 7.585 7.585 7.678 -0.093 18186 178 1 1 . 1 1 56 56 LEU N N 204 119.246 119.246 120.677 -1.431 18186 179 1 1 . 1 1 56 56 LEU HA H 204 4.741 4.741 4.083 0.658 18186 180 1 1 . 1 1 56 56 LEU C C 204 180.650 180.650 179.290 1.360 18186 181 1 1 . 1 1 56 56 LEU CA C 204 58.247 58.247 58.105 0.142 18186 182 1 1 . 1 1 56 56 LEU CB C 204 43.834 43.834 41.970 1.864 18186 183 1 1 . 1 1 56 56 LEU H H 204 9.150 9.150 8.506 0.644 18186 184 1 1 . 1 1 57 57 GLN N N 205 117.821 117.821 117.775 0.046 18186 185 1 1 . 1 1 57 57 GLN HA H 205 3.836 3.836 3.621 0.215 18186 186 1 1 . 1 1 57 57 GLN C C 205 179.341 179.341 178.268 1.073 18186 187 1 1 . 1 1 57 57 GLN CA C 205 59.618 59.618 58.830 0.788 18186 188 1 1 . 1 1 57 57 GLN CB C 205 28.153 28.153 28.055 0.098 18186 189 1 1 . 1 1 57 57 GLN H H 205 8.529 8.529 8.130 0.399 18186 190 1 1 . 1 1 58 58 LYS N N 206 122.702 122.702 120.757 1.945 18186 191 1 1 . 1 1 58 58 LYS HA H 206 4.176 4.176 3.965 0.211 18186 192 1 1 . 1 1 58 58 LYS C C 206 180.260 180.260 179.197 1.063 18186 193 1 1 . 1 1 58 58 LYS CA C 206 59.400 59.400 59.319 0.081 18186 194 1 1 . 1 1 58 58 LYS CB C 206 32.555 32.555 32.280 0.275 18186 195 1 1 . 1 1 58 58 LYS H H 206 8.449 8.449 7.918 0.531 18186 196 1 1 . 1 1 59 59 GLY N N 207 108.195 108.195 106.648 1.547 18186 197 1 1 . 1 1 59 59 GLY C C 207 175.772 175.772 175.670 0.102 18186 198 1 1 . 1 1 59 59 GLY CA C 207 48.776 48.776 46.823 1.953 18186 199 1 1 . 1 1 59 59 GLY H H 207 8.980 8.980 8.395 0.585 18186 200 1 1 . 1 1 60 60 TRP N N 208 122.252 122.252 122.510 -0.258 18186 201 1 1 . 1 1 60 60 TRP HA H 208 4.317 4.317 4.511 -0.194 18186 202 1 1 . 1 1 60 60 TRP C C 208 178.892 178.892 176.418 2.474 18186 203 1 1 . 1 1 60 60 TRP CA C 208 61.295 61.295 60.279 1.016 18186 204 1 1 . 1 1 60 60 TRP CB C 208 30.038 30.038 29.514 0.524 18186 205 1 1 . 1 1 60 60 TRP H H 208 8.539 8.539 8.122 0.417 18186 206 1 1 . 1 1 61 61 SER N N 209 111.947 111.947 112.699 -0.752 18186 207 1 1 . 1 1 61 61 SER HA H 209 4.350 4.350 4.388 -0.038 18186 208 1 1 . 1 1 61 61 SER C C 209 175.979 175.979 176.865 -0.886 18186 209 1 1 . 1 1 61 61 SER CA C 209 61.244 61.244 60.996 0.248 18186 210 1 1 . 1 1 61 61 SER CB C 209 63.501 63.501 63.496 0.005 18186 211 1 1 . 1 1 61 61 SER H H 209 7.506 7.506 7.792 -0.286 18186 212 1 1 . 1 1 62 62 LEU N N 210 121.081 121.081 120.603 0.478 18186 213 1 1 . 1 1 62 62 LEU HA H 210 4.265 4.265 4.285 -0.020 18186 214 1 1 . 1 1 62 62 LEU C C 210 177.971 177.971 177.818 0.153 18186 215 1 1 . 1 1 62 62 LEU CA C 210 56.547 56.547 56.380 0.167 18186 216 1 1 . 1 1 62 62 LEU CB C 210 43.115 43.115 42.417 0.698 18186 217 1 1 . 1 1 62 62 LEU H H 210 7.847 7.847 7.643 0.204 18186 218 1 1 . 1 1 63 63 ALA N N 211 121.059 121.059 119.813 1.246 18186 219 1 1 . 1 1 63 63 ALA HA H 211 4.235 4.235 4.331 -0.096 18186 220 1 1 . 1 1 63 63 ALA C C 211 174.771 174.771 176.734 -1.963 18186 221 1 1 . 1 1 63 63 ALA CA C 211 51.860 51.860 51.772 0.088 18186 222 1 1 . 1 1 63 63 ALA CB C 211 19.824 19.824 18.678 1.146 18186 223 1 1 . 1 1 63 63 ALA H H 211 7.805 7.805 7.882 -0.077 18186 224 1 2 . 1 1 26 26 GLU N N 174 123.201 123.201 124.088 -0.887 18186 225 1 2 . 1 1 26 26 GLU HA H 174 4.422 4.422 4.589 -0.167 18186 226 1 2 . 1 1 26 26 GLU C C 174 176.498 176.498 175.554 0.944 18186 227 1 2 . 1 1 26 26 GLU CA C 174 55.987 55.987 55.911 0.076 18186 228 1 2 . 1 1 26 26 GLU CB C 174 30.674 30.674 28.668 2.006 18186 229 1 2 . 1 1 26 26 GLU H H 174 8.463 8.463 8.793 -0.330 18186 230 1 2 . 1 1 27 27 LEU N N 175 125.204 125.204 122.513 2.691 18186 231 1 2 . 1 1 27 27 LEU HA H 175 4.464 4.464 4.692 -0.228 18186 232 1 2 . 1 1 27 27 LEU C C 175 176.514 176.514 176.699 -0.185 18186 233 1 2 . 1 1 27 27 LEU CA C 175 55.039 55.039 54.425 0.614 18186 234 1 2 . 1 1 27 27 LEU CB C 175 42.868 42.868 43.227 -0.359 18186 235 1 2 . 1 1 27 27 LEU H H 175 8.479 8.479 7.552 0.927 18186 236 1 2 . 1 1 28 28 THR N N 176 117.260 117.260 118.017 -0.757 18186 237 1 2 . 1 1 28 28 THR HA H 176 4.430 4.430 4.624 -0.194 18186 238 1 2 . 1 1 28 28 THR C C 176 173.007 173.007 173.739 -0.732 18186 239 1 2 . 1 1 28 28 THR CA C 176 61.148 61.148 61.957 -0.809 18186 240 1 2 . 1 1 28 28 THR CB C 176 70.400 70.400 69.641 0.759 18186 241 1 2 . 1 1 28 28 THR H H 176 8.363 8.363 8.298 0.065 18186 242 1 2 . 1 1 29 29 VAL N N 177 124.841 124.841 125.441 -0.600 18186 243 1 2 . 1 1 29 29 VAL HA H 177 3.604 3.604 4.027 -0.423 18186 244 1 2 . 1 1 29 29 VAL CA C 177 59.318 59.318 57.984 1.334 18186 245 1 2 . 1 1 29 29 VAL CB C 177 33.054 33.054 32.278 0.777 18186 246 1 2 . 1 1 29 29 VAL H H 177 7.950 7.950 8.068 -0.118 18186 247 1 2 . 1 1 30 30 PRO HA H 178 4.797 4.797 4.440 0.357 18186 248 1 2 . 1 1 30 30 PRO C C 178 175.813 175.813 176.426 -0.613 18186 249 1 2 . 1 1 30 30 PRO CA C 178 60.737 60.737 62.606 -1.869 18186 250 1 2 . 1 1 30 30 PRO CB C 178 28.074 28.074 30.463 -2.389 18186 251 1 2 . 1 1 31 31 TRP N N 179 125.415 125.415 124.680 0.735 18186 252 1 2 . 1 1 31 31 TRP HA H 179 4.179 4.179 4.202 -0.023 18186 253 1 2 . 1 1 31 31 TRP C C 179 177.545 177.545 177.772 -0.227 18186 254 1 2 . 1 1 31 31 TRP CA C 179 60.702 60.702 60.368 0.334 18186 255 1 2 . 1 1 31 31 TRP CB C 179 30.098 30.098 29.275 0.823 18186 256 1 2 . 1 1 31 31 TRP H H 179 7.898 7.898 7.766 0.132 18186 257 1 2 . 1 1 32 32 ASP N N 180 117.166 117.166 119.554 -2.388 18186 258 1 2 . 1 1 32 32 ASP HA H 180 4.480 4.480 4.391 0.089 18186 259 1 2 . 1 1 32 32 ASP C C 180 179.109 179.109 177.830 1.279 18186 260 1 2 . 1 1 32 32 ASP CA C 180 57.553 57.553 57.882 -0.329 18186 261 1 2 . 1 1 32 32 ASP CB C 180 39.449 39.449 40.383 -0.934 18186 262 1 2 . 1 1 32 32 ASP H H 180 8.740 8.740 8.637 0.103 18186 263 1 2 . 1 1 33 33 ASP N N 181 121.203 121.203 119.043 2.160 18186 264 1 2 . 1 1 33 33 ASP HA H 181 4.493 4.493 4.436 0.057 18186 265 1 2 . 1 1 33 33 ASP C C 181 179.288 179.288 178.783 0.505 18186 266 1 2 . 1 1 33 33 ASP CA C 181 57.069 57.069 57.132 -0.063 18186 267 1 2 . 1 1 33 33 ASP CB C 181 40.808 40.808 40.621 0.187 18186 268 1 2 . 1 1 33 33 ASP H H 181 7.713 7.713 8.471 -0.758 18186 269 1 2 . 1 1 34 34 ILE N N 182 122.718 122.718 120.803 1.915 18186 270 1 2 . 1 1 34 34 ILE HA H 182 3.479 3.479 3.668 -0.189 18186 271 1 2 . 1 1 34 34 ILE C C 182 176.679 176.679 177.495 -0.816 18186 272 1 2 . 1 1 34 34 ILE CA C 182 65.867 65.867 65.282 0.585 18186 273 1 2 . 1 1 34 34 ILE CB C 182 37.745 37.745 37.993 -0.248 18186 274 1 2 . 1 1 34 34 ILE H H 182 7.979 7.979 8.254 -0.275 18186 275 1 2 . 1 1 35 35 GLU N N 183 122.734 122.734 120.700 2.034 18186 276 1 2 . 1 1 35 35 GLU HA H 183 3.856 3.856 3.995 -0.139 18186 277 1 2 . 1 1 35 35 GLU C C 183 178.061 178.061 178.742 -0.681 18186 278 1 2 . 1 1 35 35 GLU CA C 183 61.190 61.190 59.654 1.536 18186 279 1 2 . 1 1 35 35 GLU CB C 183 29.306 29.306 29.631 -0.326 18186 280 1 2 . 1 1 35 35 GLU H H 183 8.938 8.938 8.246 0.692 18186 281 1 2 . 1 1 36 36 ALA N N 184 119.761 119.761 121.796 -2.035 18186 282 1 2 . 1 1 36 36 ALA HA H 184 4.022 4.022 4.083 -0.061 18186 283 1 2 . 1 1 36 36 ALA C C 184 180.257 180.257 179.371 0.886 18186 284 1 2 . 1 1 36 36 ALA CA C 184 55.378 55.378 55.173 0.204 18186 285 1 2 . 1 1 36 36 ALA CB C 184 18.118 18.118 18.517 -0.399 18186 286 1 2 . 1 1 36 36 ALA H H 184 7.675 7.675 7.864 -0.189 18186 287 1 2 . 1 1 37 37 LEU N N 185 120.850 120.850 120.441 0.409 18186 288 1 2 . 1 1 37 37 LEU HA H 185 4.168 4.168 4.188 -0.020 18186 289 1 2 . 1 1 37 37 LEU C C 185 179.866 179.866 178.791 1.075 18186 290 1 2 . 1 1 37 37 LEU CA C 185 58.236 58.236 57.872 0.364 18186 291 1 2 . 1 1 37 37 LEU CB C 185 41.824 41.824 42.082 -0.258 18186 292 1 2 . 1 1 37 37 LEU H H 185 7.563 7.563 7.654 -0.091 18186 293 1 2 . 1 1 38 38 LEU N N 186 120.391 120.391 119.096 1.295 18186 294 1 2 . 1 1 38 38 LEU HA H 186 3.677 3.677 4.184 -0.507 18186 295 1 2 . 1 1 38 38 LEU C C 186 178.449 178.449 179.372 -0.923 18186 296 1 2 . 1 1 38 38 LEU CA C 186 57.844 57.844 57.555 0.289 18186 297 1 2 . 1 1 38 38 LEU CB C 186 41.641 41.641 40.645 0.996 18186 298 1 2 . 1 1 38 38 LEU H H 186 8.633 8.633 8.637 -0.004 18186 299 1 2 . 1 1 39 39 LYS N N 187 119.670 119.670 120.607 -0.937 18186 300 1 2 . 1 1 39 39 LYS HA H 187 3.778 3.778 4.002 -0.224 18186 301 1 2 . 1 1 39 39 LYS C C 187 178.295 178.295 178.304 -0.009 18186 302 1 2 . 1 1 39 39 LYS CA C 187 60.595 60.595 60.077 0.518 18186 303 1 2 . 1 1 39 39 LYS CB C 187 32.354 32.354 32.442 -0.088 18186 304 1 2 . 1 1 39 39 LYS H H 187 8.641 8.641 8.253 0.388 18186 305 1 2 . 1 1 40 40 ASN N N 188 115.677 115.677 117.013 -1.336 18186 306 1 2 . 1 1 40 40 ASN HA H 188 4.529 4.529 4.487 0.042 18186 307 1 2 . 1 1 40 40 ASN C C 188 177.759 177.759 178.571 -0.812 18186 308 1 2 . 1 1 40 40 ASN CA C 188 55.888 55.888 56.098 -0.210 18186 309 1 2 . 1 1 40 40 ASN CB C 188 38.679 38.679 38.551 0.128 18186 310 1 2 . 1 1 40 40 ASN H H 188 7.411 7.411 8.152 -0.741 18186 311 1 2 . 1 1 41 41 ASN N N 189 119.819 119.819 117.777 2.042 18186 312 1 2 . 1 1 41 41 ASN HA H 189 4.279 4.279 4.495 -0.216 18186 313 1 2 . 1 1 41 41 ASN C C 189 176.175 176.175 175.864 0.311 18186 314 1 2 . 1 1 41 41 ASN CA C 189 56.664 56.664 55.667 0.997 18186 315 1 2 . 1 1 41 41 ASN CB C 189 39.680 39.680 38.649 1.031 18186 316 1 2 . 1 1 41 41 ASN H H 189 8.367 8.367 8.248 0.119 18186 317 1 2 . 1 1 42 42 PHE N N 190 115.910 115.910 117.156 -1.246 18186 318 1 2 . 1 1 42 42 PHE HA H 190 4.960 4.960 4.793 0.167 18186 319 1 2 . 1 1 42 42 PHE C C 190 175.606 175.606 175.082 0.524 18186 320 1 2 . 1 1 42 42 PHE CA C 190 55.918 55.918 56.360 -0.442 18186 321 1 2 . 1 1 42 42 PHE CB C 190 37.143 37.143 38.400 -1.257 18186 322 1 2 . 1 1 42 42 PHE H H 190 8.424 8.424 7.921 0.503 18186 323 1 2 . 1 1 43 43 GLU N N 191 119.788 119.788 121.521 -1.733 18186 324 1 2 . 1 1 43 43 GLU HA H 191 4.003 4.003 4.019 -0.016 18186 325 1 2 . 1 1 43 43 GLU C C 191 176.533 176.533 175.907 0.626 18186 326 1 2 . 1 1 43 43 GLU CA C 191 57.986 57.986 58.134 -0.148 18186 327 1 2 . 1 1 43 43 GLU CB C 191 27.992 27.992 27.284 0.708 18186 328 1 2 . 1 1 43 43 GLU H H 191 7.813 7.813 8.042 -0.229 18186 329 1 2 . 1 1 44 44 ASN N N 192 111.889 111.889 117.600 -5.711 18186 330 1 2 . 1 1 44 44 ASN HA H 192 4.257 4.257 4.759 -0.502 18186 331 1 2 . 1 1 44 44 ASN C C 192 174.399 174.399 174.119 0.280 18186 332 1 2 . 1 1 44 44 ASN CA C 192 54.532 54.532 54.126 0.406 18186 333 1 2 . 1 1 44 44 ASN CB C 192 37.989 37.989 40.490 -2.501 18186 334 1 2 . 1 1 44 44 ASN H H 192 9.162 9.162 8.686 0.476 18186 335 1 2 . 1 1 45 45 ASP N N 193 118.609 118.609 122.981 -4.372 18186 336 1 2 . 1 1 45 45 ASP HA H 193 4.773 4.773 4.993 -0.220 18186 337 1 2 . 1 1 45 45 ASP C C 193 175.994 175.994 176.428 -0.434 18186 338 1 2 . 1 1 45 45 ASP CA C 193 53.393 53.393 53.148 0.245 18186 339 1 2 . 1 1 45 45 ASP CB C 193 40.525 40.525 40.532 -0.007 18186 340 1 2 . 1 1 45 45 ASP H H 193 7.571 7.571 8.189 -0.618 18186 341 1 2 . 1 1 46 46 GLN N N 194 124.969 124.969 122.578 2.391 18186 342 1 2 . 1 1 46 46 GLN HA H 194 3.947 3.947 4.001 -0.054 18186 343 1 2 . 1 1 46 46 GLN C C 194 178.265 178.265 177.665 0.600 18186 344 1 2 . 1 1 46 46 GLN CA C 194 58.622 58.622 58.870 -0.248 18186 345 1 2 . 1 1 46 46 GLN CB C 194 28.410 28.410 28.517 -0.107 18186 346 1 2 . 1 1 46 46 GLN H H 194 8.483 8.483 8.305 0.178 18186 347 1 2 . 1 1 47 47 ALA N N 195 122.283 122.283 120.866 1.417 18186 348 1 2 . 1 1 47 47 ALA HA H 195 4.118 4.118 3.906 0.212 18186 349 1 2 . 1 1 47 47 ALA C C 195 180.158 180.158 178.649 1.509 18186 350 1 2 . 1 1 47 47 ALA CA C 195 55.047 55.047 54.750 0.297 18186 351 1 2 . 1 1 47 47 ALA CB C 195 17.990 17.990 17.928 0.062 18186 352 1 2 . 1 1 47 47 ALA H H 195 8.259 8.259 8.659 -0.400 18186 353 1 2 . 1 1 48 48 ALA N N 196 122.453 122.453 120.926 1.527 18186 354 1 2 . 1 1 48 48 ALA HA H 196 3.885 3.885 3.949 -0.064 18186 355 1 2 . 1 1 48 48 ALA C C 196 179.094 179.094 179.214 -0.120 18186 356 1 2 . 1 1 48 48 ALA CA C 196 54.761 54.761 54.251 0.510 18186 357 1 2 . 1 1 48 48 ALA CB C 196 18.090 18.090 17.818 0.272 18186 358 1 2 . 1 1 48 48 ALA H H 196 7.576 7.576 7.192 0.384 18186 359 1 2 . 1 1 49 49 VAL N N 197 115.834 115.834 119.289 -3.455 18186 360 1 2 . 1 1 49 49 VAL HA H 197 3.262 3.262 3.394 -0.132 18186 361 1 2 . 1 1 49 49 VAL C C 197 177.538 177.538 177.985 -0.447 18186 362 1 2 . 1 1 49 49 VAL CA C 197 67.330 67.330 67.159 0.171 18186 363 1 2 . 1 1 49 49 VAL CB C 197 32.065 32.065 31.183 0.882 18186 364 1 2 . 1 1 49 49 VAL H H 197 7.635 7.635 7.542 0.093 18186 365 1 2 . 1 1 50 50 ARG N N 198 117.335 117.335 118.667 -1.332 18186 366 1 2 . 1 1 50 50 ARG HA H 198 3.966 3.966 3.875 0.091 18186 367 1 2 . 1 1 50 50 ARG C C 198 178.504 178.504 178.885 -0.381 18186 368 1 2 . 1 1 50 50 ARG CA C 198 59.205 59.205 60.027 -0.822 18186 369 1 2 . 1 1 50 50 ARG CB C 198 29.917 29.917 29.850 0.067 18186 370 1 2 . 1 1 50 50 ARG H H 198 8.022 8.022 7.909 0.113 18186 371 1 2 . 1 1 51 51 GLN N N 199 117.513 117.513 118.363 -0.850 18186 372 1 2 . 1 1 51 51 GLN HA H 199 4.079 4.079 3.998 0.081 18186 373 1 2 . 1 1 51 51 GLN C C 199 179.594 179.594 178.766 0.828 18186 374 1 2 . 1 1 51 51 GLN CA C 199 59.209 59.209 58.860 0.349 18186 375 1 2 . 1 1 51 51 GLN CB C 199 29.186 29.186 28.721 0.465 18186 376 1 2 . 1 1 51 51 GLN H H 199 7.849 7.849 7.913 -0.064 18186 377 1 2 . 1 1 52 52 VAL N N 200 120.041 120.041 116.333 3.708 18186 378 1 2 . 1 1 52 52 VAL HA H 200 3.984 3.984 3.765 0.219 18186 379 1 2 . 1 1 52 52 VAL C C 200 177.885 177.885 177.990 -0.105 18186 380 1 2 . 1 1 52 52 VAL CA C 200 67.197 67.197 65.798 1.399 18186 381 1 2 . 1 1 52 52 VAL CB C 200 31.849 31.849 31.607 0.242 18186 382 1 2 . 1 1 52 52 VAL H H 200 8.189 8.189 8.154 0.035 18186 383 1 2 . 1 1 53 53 MET N N 201 118.360 118.360 119.848 -1.488 18186 384 1 2 . 1 1 53 53 MET HA H 201 4.384 4.384 4.256 0.128 18186 385 1 2 . 1 1 53 53 MET C C 201 178.909 178.909 178.789 0.120 18186 386 1 2 . 1 1 53 53 MET CA C 201 56.727 56.727 57.629 -0.902 18186 387 1 2 . 1 1 53 53 MET CB C 201 30.041 30.041 31.149 -1.108 18186 388 1 2 . 1 1 53 53 MET H H 201 8.824 8.824 8.210 0.614 18186 389 1 2 . 1 1 54 54 GLU N N 202 117.888 117.888 119.352 -1.464 18186 390 1 2 . 1 1 54 54 GLU HA H 202 3.971 3.971 4.202 -0.231 18186 391 1 2 . 1 1 54 54 GLU C C 202 179.317 179.317 179.381 -0.064 18186 392 1 2 . 1 1 54 54 GLU CA C 202 59.753 59.753 58.881 0.872 18186 393 1 2 . 1 1 54 54 GLU CB C 202 29.433 29.433 29.348 0.085 18186 394 1 2 . 1 1 54 54 GLU H H 202 8.610 8.610 8.262 0.348 18186 395 1 2 . 1 1 55 55 ARG N N 203 120.547 120.547 120.984 -0.437 18186 396 1 2 . 1 1 55 55 ARG HA H 203 4.137 4.137 4.182 -0.045 18186 397 1 2 . 1 1 55 55 ARG C C 203 178.586 178.586 178.722 -0.136 18186 398 1 2 . 1 1 55 55 ARG CA C 203 59.981 59.981 59.112 0.869 18186 399 1 2 . 1 1 55 55 ARG CB C 203 29.915 29.915 30.235 -0.320 18186 400 1 2 . 1 1 55 55 ARG H H 203 7.585 7.585 7.783 -0.198 18186 401 1 2 . 1 1 56 56 LEU N N 204 119.246 119.246 120.534 -1.288 18186 402 1 2 . 1 1 56 56 LEU HA H 204 4.741 4.741 4.087 0.654 18186 403 1 2 . 1 1 56 56 LEU C C 204 180.650 180.650 179.340 1.310 18186 404 1 2 . 1 1 56 56 LEU CA C 204 58.247 58.247 58.079 0.168 18186 405 1 2 . 1 1 56 56 LEU CB C 204 43.834 43.834 41.953 1.881 18186 406 1 2 . 1 1 56 56 LEU H H 204 9.150 9.150 8.460 0.690 18186 407 1 2 . 1 1 57 57 GLN N N 205 117.821 117.821 117.931 -0.110 18186 408 1 2 . 1 1 57 57 GLN HA H 205 3.836 3.836 3.628 0.208 18186 409 1 2 . 1 1 57 57 GLN C C 205 179.341 179.341 178.279 1.062 18186 410 1 2 . 1 1 57 57 GLN CA C 205 59.618 59.618 58.902 0.716 18186 411 1 2 . 1 1 57 57 GLN CB C 205 28.153 28.153 28.064 0.090 18186 412 1 2 . 1 1 57 57 GLN H H 205 8.529 8.529 8.220 0.309 18186 413 1 2 . 1 1 58 58 LYS N N 206 122.702 122.702 120.660 2.042 18186 414 1 2 . 1 1 58 58 LYS HA H 206 4.176 4.176 3.964 0.212 18186 415 1 2 . 1 1 58 58 LYS C C 206 180.260 180.260 179.204 1.056 18186 416 1 2 . 1 1 58 58 LYS CA C 206 59.400 59.400 59.333 0.067 18186 417 1 2 . 1 1 58 58 LYS CB C 206 32.555 32.555 32.296 0.259 18186 418 1 2 . 1 1 58 58 LYS H H 206 8.449 8.449 8.011 0.438 18186 419 1 2 . 1 1 59 59 GLY N N 207 108.195 108.195 106.641 1.554 18186 420 1 2 . 1 1 59 59 GLY C C 207 175.772 175.772 175.667 0.105 18186 421 1 2 . 1 1 59 59 GLY CA C 207 48.776 48.776 46.818 1.958 18186 422 1 2 . 1 1 59 59 GLY H H 207 8.980 8.980 8.393 0.587 18186 423 1 2 . 1 1 60 60 TRP N N 208 122.252 122.252 123.215 -0.963 18186 424 1 2 . 1 1 60 60 TRP HA H 208 4.317 4.317 4.422 -0.105 18186 425 1 2 . 1 1 60 60 TRP C C 208 178.892 178.892 176.898 1.994 18186 426 1 2 . 1 1 60 60 TRP CA C 208 61.295 61.295 60.348 0.947 18186 427 1 2 . 1 1 60 60 TRP CB C 208 30.038 30.038 29.826 0.212 18186 428 1 2 . 1 1 60 60 TRP H H 208 8.539 8.539 8.252 0.287 18186 429 1 2 . 1 1 61 61 SER N N 209 111.947 111.947 113.617 -1.670 18186 430 1 2 . 1 1 61 61 SER HA H 209 4.350 4.350 4.304 0.046 18186 431 1 2 . 1 1 61 61 SER C C 209 175.979 175.979 177.283 -1.304 18186 432 1 2 . 1 1 61 61 SER CA C 209 61.244 61.244 60.790 0.454 18186 433 1 2 . 1 1 61 61 SER CB C 209 63.501 63.501 63.006 0.495 18186 434 1 2 . 1 1 61 61 SER H H 209 7.506 7.506 7.829 -0.323 18186 435 1 2 . 1 1 62 62 LEU N N 210 121.081 121.081 122.086 -1.005 18186 436 1 2 . 1 1 62 62 LEU HA H 210 4.265 4.265 4.273 -0.008 18186 437 1 2 . 1 1 62 62 LEU C C 210 177.971 177.971 177.780 0.191 18186 438 1 2 . 1 1 62 62 LEU CA C 210 56.547 56.547 56.843 -0.296 18186 439 1 2 . 1 1 62 62 LEU CB C 210 43.115 43.115 42.388 0.728 18186 440 1 2 . 1 1 62 62 LEU H H 210 7.847 7.847 7.687 0.160 18186 441 1 2 . 1 1 63 63 ALA N N 211 121.059 121.059 120.134 0.925 18186 442 1 2 . 1 1 63 63 ALA HA H 211 4.235 4.235 4.380 -0.145 18186 443 1 2 . 1 1 63 63 ALA C C 211 174.771 174.771 176.490 -1.719 18186 444 1 2 . 1 1 63 63 ALA CA C 211 51.860 51.860 51.520 0.340 18186 445 1 2 . 1 1 63 63 ALA CB C 211 19.824 19.824 18.471 1.353 18186 446 1 2 . 1 1 63 63 ALA H H 211 7.805 7.805 7.965 -0.160 18186 447 1 3 . 1 1 26 26 GLU N N 174 123.201 123.201 123.763 -0.562 18186 448 1 3 . 1 1 26 26 GLU HA H 174 4.422 4.422 4.568 -0.146 18186 449 1 3 . 1 1 26 26 GLU C C 174 176.498 176.498 175.459 1.039 18186 450 1 3 . 1 1 26 26 GLU CA C 174 55.987 55.987 56.212 -0.225 18186 451 1 3 . 1 1 26 26 GLU CB C 174 30.674 30.674 29.333 1.341 18186 452 1 3 . 1 1 26 26 GLU H H 174 8.463 8.463 8.656 -0.193 18186 453 1 3 . 1 1 27 27 LEU N N 175 125.204 125.204 123.943 1.261 18186 454 1 3 . 1 1 27 27 LEU HA H 175 4.464 4.464 4.759 -0.295 18186 455 1 3 . 1 1 27 27 LEU C C 175 176.514 176.514 176.257 0.257 18186 456 1 3 . 1 1 27 27 LEU CA C 175 55.039 55.039 54.352 0.687 18186 457 1 3 . 1 1 27 27 LEU CB C 175 42.868 42.868 44.714 -1.846 18186 458 1 3 . 1 1 27 27 LEU H H 175 8.479 8.479 7.775 0.704 18186 459 1 3 . 1 1 28 28 THR N N 176 117.260 117.260 117.764 -0.504 18186 460 1 3 . 1 1 28 28 THR HA H 176 4.430 4.430 4.658 -0.228 18186 461 1 3 . 1 1 28 28 THR C C 176 173.007 173.007 173.410 -0.403 18186 462 1 3 . 1 1 28 28 THR CA C 176 61.148 61.148 61.937 -0.789 18186 463 1 3 . 1 1 28 28 THR CB C 176 70.400 70.400 69.517 0.883 18186 464 1 3 . 1 1 28 28 THR H H 176 8.363 8.363 8.332 0.031 18186 465 1 3 . 1 1 29 29 VAL N N 177 124.841 124.841 126.068 -1.227 18186 466 1 3 . 1 1 29 29 VAL HA H 177 3.604 3.604 4.035 -0.431 18186 467 1 3 . 1 1 29 29 VAL CA C 177 59.318 59.318 57.679 1.639 18186 468 1 3 . 1 1 29 29 VAL CB C 177 33.054 33.054 32.546 0.508 18186 469 1 3 . 1 1 29 29 VAL H H 177 7.950 7.950 8.036 -0.086 18186 470 1 3 . 1 1 30 30 PRO HA H 178 4.797 4.797 4.437 0.360 18186 471 1 3 . 1 1 30 30 PRO C C 178 175.813 175.813 176.409 -0.596 18186 472 1 3 . 1 1 30 30 PRO CA C 178 60.737 60.737 62.634 -1.897 18186 473 1 3 . 1 1 30 30 PRO CB C 178 28.074 28.074 30.366 -2.292 18186 474 1 3 . 1 1 31 31 TRP N N 179 125.415 125.415 124.387 1.028 18186 475 1 3 . 1 1 31 31 TRP HA H 179 4.179 4.179 4.203 -0.024 18186 476 1 3 . 1 1 31 31 TRP C C 179 177.545 177.545 177.651 -0.106 18186 477 1 3 . 1 1 31 31 TRP CA C 179 60.702 60.702 60.373 0.329 18186 478 1 3 . 1 1 31 31 TRP CB C 179 30.098 30.098 29.222 0.876 18186 479 1 3 . 1 1 31 31 TRP H H 179 7.898 7.898 7.805 0.093 18186 480 1 3 . 1 1 32 32 ASP N N 180 117.166 117.166 120.174 -3.008 18186 481 1 3 . 1 1 32 32 ASP HA H 180 4.480 4.480 4.359 0.121 18186 482 1 3 . 1 1 32 32 ASP C C 180 179.109 179.109 177.782 1.327 18186 483 1 3 . 1 1 32 32 ASP CA C 180 57.553 57.553 58.525 -0.972 18186 484 1 3 . 1 1 32 32 ASP CB C 180 39.449 39.449 40.081 -0.631 18186 485 1 3 . 1 1 32 32 ASP H H 180 8.740 8.740 8.632 0.108 18186 486 1 3 . 1 1 33 33 ASP N N 181 121.203 121.203 120.726 0.477 18186 487 1 3 . 1 1 33 33 ASP HA H 181 4.493 4.493 4.446 0.047 18186 488 1 3 . 1 1 33 33 ASP C C 181 179.288 179.288 178.521 0.767 18186 489 1 3 . 1 1 33 33 ASP CA C 181 57.069 57.069 57.225 -0.156 18186 490 1 3 . 1 1 33 33 ASP CB C 181 40.808 40.808 40.501 0.307 18186 491 1 3 . 1 1 33 33 ASP H H 181 7.713 7.713 8.452 -0.739 18186 492 1 3 . 1 1 34 34 ILE N N 182 122.718 122.718 120.198 2.520 18186 493 1 3 . 1 1 34 34 ILE HA H 182 3.479 3.479 3.633 -0.154 18186 494 1 3 . 1 1 34 34 ILE C C 182 176.679 176.679 177.440 -0.761 18186 495 1 3 . 1 1 34 34 ILE CA C 182 65.867 65.867 65.277 0.590 18186 496 1 3 . 1 1 34 34 ILE CB C 182 37.745 37.745 37.971 -0.226 18186 497 1 3 . 1 1 34 34 ILE H H 182 7.979 7.979 8.201 -0.222 18186 498 1 3 . 1 1 35 35 GLU N N 183 122.734 122.734 120.834 1.900 18186 499 1 3 . 1 1 35 35 GLU HA H 183 3.856 3.856 3.937 -0.081 18186 500 1 3 . 1 1 35 35 GLU C C 183 178.061 178.061 178.836 -0.775 18186 501 1 3 . 1 1 35 35 GLU CA C 183 61.190 61.190 59.840 1.350 18186 502 1 3 . 1 1 35 35 GLU CB C 183 29.306 29.306 29.570 -0.264 18186 503 1 3 . 1 1 35 35 GLU H H 183 8.938 8.938 8.280 0.658 18186 504 1 3 . 1 1 36 36 ALA N N 184 119.761 119.761 121.787 -2.026 18186 505 1 3 . 1 1 36 36 ALA HA H 184 4.022 4.022 4.056 -0.034 18186 506 1 3 . 1 1 36 36 ALA C C 184 180.257 180.257 179.308 0.949 18186 507 1 3 . 1 1 36 36 ALA CA C 184 55.378 55.378 55.185 0.193 18186 508 1 3 . 1 1 36 36 ALA CB C 184 18.118 18.118 18.482 -0.364 18186 509 1 3 . 1 1 36 36 ALA H H 184 7.675 7.675 7.819 -0.144 18186 510 1 3 . 1 1 37 37 LEU N N 185 120.850 120.850 120.586 0.264 18186 511 1 3 . 1 1 37 37 LEU HA H 185 4.168 4.168 4.170 -0.002 18186 512 1 3 . 1 1 37 37 LEU C C 185 179.866 179.866 178.738 1.128 18186 513 1 3 . 1 1 37 37 LEU CA C 185 58.236 58.236 57.914 0.322 18186 514 1 3 . 1 1 37 37 LEU CB C 185 41.824 41.824 42.081 -0.257 18186 515 1 3 . 1 1 37 37 LEU H H 185 7.563 7.563 7.751 -0.188 18186 516 1 3 . 1 1 38 38 LEU N N 186 120.391 120.391 118.960 1.431 18186 517 1 3 . 1 1 38 38 LEU HA H 186 3.677 3.677 4.152 -0.475 18186 518 1 3 . 1 1 38 38 LEU C C 186 178.449 178.449 179.358 -0.909 18186 519 1 3 . 1 1 38 38 LEU CA C 186 57.844 57.844 57.435 0.409 18186 520 1 3 . 1 1 38 38 LEU CB C 186 41.641 41.641 40.638 1.003 18186 521 1 3 . 1 1 38 38 LEU H H 186 8.633 8.633 8.632 0.001 18186 522 1 3 . 1 1 39 39 LYS N N 187 119.670 119.670 120.705 -1.035 18186 523 1 3 . 1 1 39 39 LYS HA H 187 3.778 3.778 3.986 -0.208 18186 524 1 3 . 1 1 39 39 LYS C C 187 178.295 178.295 178.239 0.056 18186 525 1 3 . 1 1 39 39 LYS CA C 187 60.595 60.595 60.112 0.483 18186 526 1 3 . 1 1 39 39 LYS CB C 187 32.354 32.354 32.413 -0.059 18186 527 1 3 . 1 1 39 39 LYS H H 187 8.641 8.641 8.293 0.348 18186 528 1 3 . 1 1 40 40 ASN N N 188 115.677 115.677 117.023 -1.346 18186 529 1 3 . 1 1 40 40 ASN HA H 188 4.529 4.529 4.480 0.049 18186 530 1 3 . 1 1 40 40 ASN C C 188 177.759 177.759 178.601 -0.842 18186 531 1 3 . 1 1 40 40 ASN CA C 188 55.888 55.888 56.129 -0.241 18186 532 1 3 . 1 1 40 40 ASN CB C 188 38.679 38.679 38.519 0.160 18186 533 1 3 . 1 1 40 40 ASN H H 188 7.411 7.411 8.070 -0.659 18186 534 1 3 . 1 1 41 41 ASN N N 189 119.819 119.819 117.585 2.234 18186 535 1 3 . 1 1 41 41 ASN HA H 189 4.279 4.279 4.456 -0.177 18186 536 1 3 . 1 1 41 41 ASN C C 189 176.175 176.175 175.669 0.506 18186 537 1 3 . 1 1 41 41 ASN CA C 189 56.664 56.664 55.616 1.048 18186 538 1 3 . 1 1 41 41 ASN CB C 189 39.680 39.680 38.582 1.098 18186 539 1 3 . 1 1 41 41 ASN H H 189 8.367 8.367 8.260 0.107 18186 540 1 3 . 1 1 42 42 PHE N N 190 115.910 115.910 116.562 -0.652 18186 541 1 3 . 1 1 42 42 PHE HA H 190 4.960 4.960 4.819 0.141 18186 542 1 3 . 1 1 42 42 PHE C C 190 175.606 175.606 174.946 0.660 18186 543 1 3 . 1 1 42 42 PHE CA C 190 55.918 55.918 56.095 -0.177 18186 544 1 3 . 1 1 42 42 PHE CB C 190 37.143 37.143 38.523 -1.380 18186 545 1 3 . 1 1 42 42 PHE H H 190 8.424 8.424 7.875 0.549 18186 546 1 3 . 1 1 43 43 GLU N N 191 119.788 119.788 121.715 -1.927 18186 547 1 3 . 1 1 43 43 GLU HA H 191 4.003 4.003 4.077 -0.074 18186 548 1 3 . 1 1 43 43 GLU C C 191 176.533 176.533 175.953 0.580 18186 549 1 3 . 1 1 43 43 GLU CA C 191 57.986 57.986 58.188 -0.202 18186 550 1 3 . 1 1 43 43 GLU CB C 191 27.992 27.992 27.318 0.674 18186 551 1 3 . 1 1 43 43 GLU H H 191 7.813 7.813 8.041 -0.228 18186 552 1 3 . 1 1 44 44 ASN N N 192 111.889 111.889 117.604 -5.715 18186 553 1 3 . 1 1 44 44 ASN HA H 192 4.257 4.257 4.751 -0.494 18186 554 1 3 . 1 1 44 44 ASN C C 192 174.399 174.399 174.218 0.181 18186 555 1 3 . 1 1 44 44 ASN CA C 192 54.532 54.532 54.163 0.368 18186 556 1 3 . 1 1 44 44 ASN CB C 192 37.989 37.989 40.339 -2.350 18186 557 1 3 . 1 1 44 44 ASN H H 192 9.162 9.162 8.709 0.453 18186 558 1 3 . 1 1 45 45 ASP N N 193 118.609 118.609 123.162 -4.553 18186 559 1 3 . 1 1 45 45 ASP HA H 193 4.773 4.773 4.982 -0.209 18186 560 1 3 . 1 1 45 45 ASP C C 193 175.994 175.994 176.392 -0.398 18186 561 1 3 . 1 1 45 45 ASP CA C 193 53.393 53.393 53.146 0.247 18186 562 1 3 . 1 1 45 45 ASP CB C 193 40.525 40.525 40.350 0.175 18186 563 1 3 . 1 1 45 45 ASP H H 193 7.571 7.571 8.236 -0.665 18186 564 1 3 . 1 1 46 46 GLN N N 194 124.969 124.969 121.975 2.994 18186 565 1 3 . 1 1 46 46 GLN HA H 194 3.947 3.947 4.001 -0.054 18186 566 1 3 . 1 1 46 46 GLN C C 194 178.265 178.265 177.581 0.684 18186 567 1 3 . 1 1 46 46 GLN CA C 194 58.622 58.622 58.743 -0.121 18186 568 1 3 . 1 1 46 46 GLN CB C 194 28.410 28.410 28.436 -0.025 18186 569 1 3 . 1 1 46 46 GLN H H 194 8.483 8.483 8.210 0.273 18186 570 1 3 . 1 1 47 47 ALA N N 195 122.283 122.283 120.823 1.460 18186 571 1 3 . 1 1 47 47 ALA HA H 195 4.118 4.118 3.903 0.215 18186 572 1 3 . 1 1 47 47 ALA C C 195 180.158 180.158 178.621 1.537 18186 573 1 3 . 1 1 47 47 ALA CA C 195 55.047 55.047 54.793 0.254 18186 574 1 3 . 1 1 47 47 ALA CB C 195 17.990 17.990 17.946 0.044 18186 575 1 3 . 1 1 47 47 ALA H H 195 8.259 8.259 8.661 -0.402 18186 576 1 3 . 1 1 48 48 ALA N N 196 122.453 122.453 120.835 1.618 18186 577 1 3 . 1 1 48 48 ALA HA H 196 3.885 3.885 3.939 -0.054 18186 578 1 3 . 1 1 48 48 ALA C C 196 179.094 179.094 179.220 -0.126 18186 579 1 3 . 1 1 48 48 ALA CA C 196 54.761 54.761 54.209 0.552 18186 580 1 3 . 1 1 48 48 ALA CB C 196 18.090 18.090 17.798 0.292 18186 581 1 3 . 1 1 48 48 ALA H H 196 7.576 7.576 7.378 0.198 18186 582 1 3 . 1 1 49 49 VAL N N 197 115.834 115.834 119.289 -3.455 18186 583 1 3 . 1 1 49 49 VAL HA H 197 3.262 3.262 3.467 -0.205 18186 584 1 3 . 1 1 49 49 VAL C C 197 177.538 177.538 178.070 -0.532 18186 585 1 3 . 1 1 49 49 VAL CA C 197 67.330 67.330 67.416 -0.086 18186 586 1 3 . 1 1 49 49 VAL CB C 197 32.065 32.065 31.291 0.774 18186 587 1 3 . 1 1 49 49 VAL H H 197 7.635 7.635 7.662 -0.027 18186 588 1 3 . 1 1 50 50 ARG N N 198 117.335 117.335 118.886 -1.551 18186 589 1 3 . 1 1 50 50 ARG HA H 198 3.966 3.966 3.893 0.073 18186 590 1 3 . 1 1 50 50 ARG C C 198 178.504 178.504 178.899 -0.395 18186 591 1 3 . 1 1 50 50 ARG CA C 198 59.205 59.205 60.148 -0.943 18186 592 1 3 . 1 1 50 50 ARG CB C 198 29.917 29.917 29.908 0.009 18186 593 1 3 . 1 1 50 50 ARG H H 198 8.022 8.022 8.204 -0.182 18186 594 1 3 . 1 1 51 51 GLN N N 199 117.513 117.513 118.244 -0.731 18186 595 1 3 . 1 1 51 51 GLN HA H 199 4.079 4.079 4.025 0.054 18186 596 1 3 . 1 1 51 51 GLN C C 199 179.594 179.594 178.790 0.804 18186 597 1 3 . 1 1 51 51 GLN CA C 199 59.209 59.209 58.869 0.340 18186 598 1 3 . 1 1 51 51 GLN CB C 199 29.186 29.186 28.698 0.489 18186 599 1 3 . 1 1 51 51 GLN H H 199 7.849 7.849 7.842 0.007 18186 600 1 3 . 1 1 52 52 VAL N N 200 120.041 120.041 117.276 2.765 18186 601 1 3 . 1 1 52 52 VAL HA H 200 3.984 3.984 3.816 0.168 18186 602 1 3 . 1 1 52 52 VAL C C 200 177.885 177.885 177.559 0.326 18186 603 1 3 . 1 1 52 52 VAL CA C 200 67.197 67.197 65.649 1.548 18186 604 1 3 . 1 1 52 52 VAL CB C 200 31.849 31.849 31.386 0.463 18186 605 1 3 . 1 1 52 52 VAL H H 200 8.189 8.189 8.237 -0.048 18186 606 1 3 . 1 1 53 53 MET N N 201 118.360 118.360 121.144 -2.784 18186 607 1 3 . 1 1 53 53 MET HA H 201 4.384 4.384 4.186 0.198 18186 608 1 3 . 1 1 53 53 MET C C 201 178.909 178.909 178.074 0.835 18186 609 1 3 . 1 1 53 53 MET CA C 201 56.727 56.727 59.208 -2.481 18186 610 1 3 . 1 1 53 53 MET CB C 201 30.041 30.041 32.603 -2.562 18186 611 1 3 . 1 1 53 53 MET H H 201 8.824 8.824 8.215 0.609 18186 612 1 3 . 1 1 54 54 GLU N N 202 117.888 117.888 118.504 -0.616 18186 613 1 3 . 1 1 54 54 GLU HA H 202 3.971 3.971 4.192 -0.221 18186 614 1 3 . 1 1 54 54 GLU C C 202 179.317 179.317 179.170 0.147 18186 615 1 3 . 1 1 54 54 GLU CA C 202 59.753 59.753 58.694 1.059 18186 616 1 3 . 1 1 54 54 GLU CB C 202 29.433 29.433 29.312 0.121 18186 617 1 3 . 1 1 54 54 GLU H H 202 8.610 8.610 8.294 0.316 18186 618 1 3 . 1 1 55 55 ARG N N 203 120.547 120.547 121.138 -0.591 18186 619 1 3 . 1 1 55 55 ARG HA H 203 4.137 4.137 4.169 -0.032 18186 620 1 3 . 1 1 55 55 ARG C C 203 178.586 178.586 178.650 -0.064 18186 621 1 3 . 1 1 55 55 ARG CA C 203 59.981 59.981 59.169 0.812 18186 622 1 3 . 1 1 55 55 ARG CB C 203 29.915 29.915 30.241 -0.326 18186 623 1 3 . 1 1 55 55 ARG H H 203 7.585 7.585 7.788 -0.203 18186 624 1 3 . 1 1 56 56 LEU N N 204 119.246 119.246 120.349 -1.103 18186 625 1 3 . 1 1 56 56 LEU HA H 204 4.741 4.741 4.091 0.650 18186 626 1 3 . 1 1 56 56 LEU C C 204 180.650 180.650 179.376 1.274 18186 627 1 3 . 1 1 56 56 LEU CA C 204 58.247 58.247 58.027 0.220 18186 628 1 3 . 1 1 56 56 LEU CB C 204 43.834 43.834 41.968 1.866 18186 629 1 3 . 1 1 56 56 LEU H H 204 9.150 9.150 8.372 0.778 18186 630 1 3 . 1 1 57 57 GLN N N 205 117.821 117.821 117.958 -0.137 18186 631 1 3 . 1 1 57 57 GLN HA H 205 3.836 3.836 3.579 0.257 18186 632 1 3 . 1 1 57 57 GLN C C 205 179.341 179.341 178.269 1.072 18186 633 1 3 . 1 1 57 57 GLN CA C 205 59.618 59.618 58.901 0.716 18186 634 1 3 . 1 1 57 57 GLN CB C 205 28.153 28.153 28.062 0.091 18186 635 1 3 . 1 1 57 57 GLN H H 205 8.529 8.529 8.172 0.357 18186 636 1 3 . 1 1 58 58 LYS N N 206 122.702 122.702 120.624 2.078 18186 637 1 3 . 1 1 58 58 LYS HA H 206 4.176 4.176 3.974 0.202 18186 638 1 3 . 1 1 58 58 LYS C C 206 180.260 180.260 179.233 1.027 18186 639 1 3 . 1 1 58 58 LYS CA C 206 59.400 59.400 59.294 0.106 18186 640 1 3 . 1 1 58 58 LYS CB C 206 32.555 32.555 32.299 0.256 18186 641 1 3 . 1 1 58 58 LYS H H 206 8.449 8.449 7.956 0.493 18186 642 1 3 . 1 1 59 59 GLY N N 207 108.195 108.195 106.622 1.573 18186 643 1 3 . 1 1 59 59 GLY C C 207 175.772 175.772 175.658 0.114 18186 644 1 3 . 1 1 59 59 GLY CA C 207 48.776 48.776 46.811 1.965 18186 645 1 3 . 1 1 59 59 GLY H H 207 8.980 8.980 8.373 0.607 18186 646 1 3 . 1 1 60 60 TRP N N 208 122.252 122.252 123.101 -0.849 18186 647 1 3 . 1 1 60 60 TRP HA H 208 4.317 4.317 4.366 -0.049 18186 648 1 3 . 1 1 60 60 TRP C C 208 178.892 178.892 176.683 2.209 18186 649 1 3 . 1 1 60 60 TRP CA C 208 61.295 61.295 60.440 0.855 18186 650 1 3 . 1 1 60 60 TRP CB C 208 30.038 30.038 29.736 0.302 18186 651 1 3 . 1 1 60 60 TRP H H 208 8.539 8.539 8.328 0.211 18186 652 1 3 . 1 1 61 61 SER N N 209 111.947 111.947 113.596 -1.649 18186 653 1 3 . 1 1 61 61 SER HA H 209 4.350 4.350 4.280 0.070 18186 654 1 3 . 1 1 61 61 SER C C 209 175.979 175.979 177.329 -1.350 18186 655 1 3 . 1 1 61 61 SER CA C 209 61.244 61.244 60.887 0.357 18186 656 1 3 . 1 1 61 61 SER CB C 209 63.501 63.501 63.007 0.494 18186 657 1 3 . 1 1 61 61 SER H H 209 7.506 7.506 7.804 -0.298 18186 658 1 3 . 1 1 62 62 LEU N N 210 121.081 121.081 121.450 -0.369 18186 659 1 3 . 1 1 62 62 LEU HA H 210 4.265 4.265 4.219 0.046 18186 660 1 3 . 1 1 62 62 LEU C C 210 177.971 177.971 177.270 0.701 18186 661 1 3 . 1 1 62 62 LEU CA C 210 56.547 56.547 56.745 -0.198 18186 662 1 3 . 1 1 62 62 LEU CB C 210 43.115 43.115 42.303 0.812 18186 663 1 3 . 1 1 62 62 LEU H H 210 7.847 7.847 7.630 0.217 18186 664 1 3 . 1 1 63 63 ALA N N 211 121.059 121.059 118.210 2.849 18186 665 1 3 . 1 1 63 63 ALA HA H 211 4.235 4.235 4.431 -0.196 18186 666 1 3 . 1 1 63 63 ALA C C 211 174.771 174.771 177.112 -2.341 18186 667 1 3 . 1 1 63 63 ALA CA C 211 51.860 51.860 51.048 0.812 18186 668 1 3 . 1 1 63 63 ALA CB C 211 19.824 19.824 18.364 1.460 18186 669 1 3 . 1 1 63 63 ALA H H 211 7.805 7.805 7.852 -0.047 18186 670 1 4 . 1 1 26 26 GLU N N 174 123.201 123.201 124.298 -1.097 18186 671 1 4 . 1 1 26 26 GLU HA H 174 4.422 4.422 4.516 -0.094 18186 672 1 4 . 1 1 26 26 GLU C C 174 176.498 176.498 175.293 1.205 18186 673 1 4 . 1 1 26 26 GLU CA C 174 55.987 55.987 56.022 -0.035 18186 674 1 4 . 1 1 26 26 GLU CB C 174 30.674 30.674 29.181 1.493 18186 675 1 4 . 1 1 26 26 GLU H H 174 8.463 8.463 8.752 -0.289 18186 676 1 4 . 1 1 27 27 LEU N N 175 125.204 125.204 122.055 3.149 18186 677 1 4 . 1 1 27 27 LEU HA H 175 4.464 4.464 4.693 -0.229 18186 678 1 4 . 1 1 27 27 LEU C C 175 176.514 176.514 176.369 0.145 18186 679 1 4 . 1 1 27 27 LEU CA C 175 55.039 55.039 54.263 0.776 18186 680 1 4 . 1 1 27 27 LEU CB C 175 42.868 42.868 43.442 -0.574 18186 681 1 4 . 1 1 27 27 LEU H H 175 8.479 8.479 7.598 0.881 18186 682 1 4 . 1 1 28 28 THR N N 176 117.260 117.260 117.790 -0.530 18186 683 1 4 . 1 1 28 28 THR HA H 176 4.430 4.430 4.620 -0.190 18186 684 1 4 . 1 1 28 28 THR C C 176 173.007 173.007 173.441 -0.434 18186 685 1 4 . 1 1 28 28 THR CA C 176 61.148 61.148 61.681 -0.533 18186 686 1 4 . 1 1 28 28 THR CB C 176 70.400 70.400 69.808 0.592 18186 687 1 4 . 1 1 28 28 THR H H 176 8.363 8.363 8.309 0.054 18186 688 1 4 . 1 1 29 29 VAL N N 177 124.841 124.841 125.199 -0.358 18186 689 1 4 . 1 1 29 29 VAL HA H 177 3.604 3.604 3.992 -0.388 18186 690 1 4 . 1 1 29 29 VAL CA C 177 59.318 59.318 57.612 1.706 18186 691 1 4 . 1 1 29 29 VAL CB C 177 33.054 33.054 32.232 0.822 18186 692 1 4 . 1 1 29 29 VAL H H 177 7.950 7.950 8.096 -0.146 18186 693 1 4 . 1 1 30 30 PRO HA H 178 4.797 4.797 4.421 0.376 18186 694 1 4 . 1 1 30 30 PRO C C 178 175.813 175.813 176.468 -0.655 18186 695 1 4 . 1 1 30 30 PRO CA C 178 60.737 60.737 62.614 -1.877 18186 696 1 4 . 1 1 30 30 PRO CB C 178 28.074 28.074 30.238 -2.164 18186 697 1 4 . 1 1 31 31 TRP N N 179 125.415 125.415 124.247 1.168 18186 698 1 4 . 1 1 31 31 TRP HA H 179 4.179 4.179 4.236 -0.057 18186 699 1 4 . 1 1 31 31 TRP C C 179 177.545 177.545 177.387 0.158 18186 700 1 4 . 1 1 31 31 TRP CA C 179 60.702 60.702 60.181 0.521 18186 701 1 4 . 1 1 31 31 TRP CB C 179 30.098 30.098 29.214 0.884 18186 702 1 4 . 1 1 31 31 TRP H H 179 7.898 7.898 7.866 0.032 18186 703 1 4 . 1 1 32 32 ASP N N 180 117.166 117.166 120.472 -3.306 18186 704 1 4 . 1 1 32 32 ASP HA H 180 4.480 4.480 4.410 0.070 18186 705 1 4 . 1 1 32 32 ASP C C 180 179.109 179.109 177.783 1.326 18186 706 1 4 . 1 1 32 32 ASP CA C 180 57.553 57.553 57.783 -0.230 18186 707 1 4 . 1 1 32 32 ASP CB C 180 39.449 39.449 39.864 -0.415 18186 708 1 4 . 1 1 32 32 ASP H H 180 8.740 8.740 8.579 0.161 18186 709 1 4 . 1 1 33 33 ASP N N 181 121.203 121.203 120.652 0.551 18186 710 1 4 . 1 1 33 33 ASP HA H 181 4.493 4.493 4.464 0.029 18186 711 1 4 . 1 1 33 33 ASP C C 181 179.288 179.288 178.555 0.733 18186 712 1 4 . 1 1 33 33 ASP CA C 181 57.069 57.069 57.246 -0.177 18186 713 1 4 . 1 1 33 33 ASP CB C 181 40.808 40.808 40.632 0.176 18186 714 1 4 . 1 1 33 33 ASP H H 181 7.713 7.713 8.407 -0.694 18186 715 1 4 . 1 1 34 34 ILE N N 182 122.718 122.718 120.272 2.446 18186 716 1 4 . 1 1 34 34 ILE HA H 182 3.479 3.479 3.644 -0.165 18186 717 1 4 . 1 1 34 34 ILE C C 182 176.679 176.679 177.390 -0.711 18186 718 1 4 . 1 1 34 34 ILE CA C 182 65.867 65.867 65.323 0.544 18186 719 1 4 . 1 1 34 34 ILE CB C 182 37.745 37.745 37.982 -0.237 18186 720 1 4 . 1 1 34 34 ILE H H 182 7.979 7.979 8.223 -0.244 18186 721 1 4 . 1 1 35 35 GLU N N 183 122.734 122.734 120.735 1.999 18186 722 1 4 . 1 1 35 35 GLU HA H 183 3.856 3.856 3.997 -0.141 18186 723 1 4 . 1 1 35 35 GLU C C 183 178.061 178.061 178.831 -0.770 18186 724 1 4 . 1 1 35 35 GLU CA C 183 61.190 61.190 59.776 1.414 18186 725 1 4 . 1 1 35 35 GLU CB C 183 29.306 29.306 29.559 -0.253 18186 726 1 4 . 1 1 35 35 GLU H H 183 8.938 8.938 8.227 0.711 18186 727 1 4 . 1 1 36 36 ALA N N 184 119.761 119.761 121.911 -2.150 18186 728 1 4 . 1 1 36 36 ALA HA H 184 4.022 4.022 4.071 -0.049 18186 729 1 4 . 1 1 36 36 ALA C C 184 180.257 180.257 179.244 1.013 18186 730 1 4 . 1 1 36 36 ALA CA C 184 55.378 55.378 55.154 0.224 18186 731 1 4 . 1 1 36 36 ALA CB C 184 18.118 18.118 18.499 -0.381 18186 732 1 4 . 1 1 36 36 ALA H H 184 7.675 7.675 7.848 -0.173 18186 733 1 4 . 1 1 37 37 LEU N N 185 120.850 120.850 120.656 0.194 18186 734 1 4 . 1 1 37 37 LEU HA H 185 4.168 4.168 4.180 -0.012 18186 735 1 4 . 1 1 37 37 LEU C C 185 179.866 179.866 178.718 1.148 18186 736 1 4 . 1 1 37 37 LEU CA C 185 58.236 58.236 57.908 0.328 18186 737 1 4 . 1 1 37 37 LEU CB C 185 41.824 41.824 42.075 -0.251 18186 738 1 4 . 1 1 37 37 LEU H H 185 7.563 7.563 7.769 -0.206 18186 739 1 4 . 1 1 38 38 LEU N N 186 120.391 120.391 118.886 1.505 18186 740 1 4 . 1 1 38 38 LEU HA H 186 3.677 3.677 4.156 -0.479 18186 741 1 4 . 1 1 38 38 LEU C C 186 178.449 178.449 179.331 -0.882 18186 742 1 4 . 1 1 38 38 LEU CA C 186 57.844 57.844 57.416 0.428 18186 743 1 4 . 1 1 38 38 LEU CB C 186 41.641 41.641 40.563 1.078 18186 744 1 4 . 1 1 38 38 LEU H H 186 8.633 8.633 8.687 -0.054 18186 745 1 4 . 1 1 39 39 LYS N N 187 119.670 119.670 120.904 -1.234 18186 746 1 4 . 1 1 39 39 LYS HA H 187 3.778 3.778 3.976 -0.198 18186 747 1 4 . 1 1 39 39 LYS C C 187 178.295 178.295 178.278 0.017 18186 748 1 4 . 1 1 39 39 LYS CA C 187 60.595 60.595 60.125 0.470 18186 749 1 4 . 1 1 39 39 LYS CB C 187 32.354 32.354 32.378 -0.024 18186 750 1 4 . 1 1 39 39 LYS H H 187 8.641 8.641 8.223 0.418 18186 751 1 4 . 1 1 40 40 ASN N N 188 115.677 115.677 116.981 -1.304 18186 752 1 4 . 1 1 40 40 ASN HA H 188 4.529 4.529 4.481 0.048 18186 753 1 4 . 1 1 40 40 ASN C C 188 177.759 177.759 178.615 -0.856 18186 754 1 4 . 1 1 40 40 ASN CA C 188 55.888 55.888 56.100 -0.212 18186 755 1 4 . 1 1 40 40 ASN CB C 188 38.679 38.679 38.517 0.162 18186 756 1 4 . 1 1 40 40 ASN H H 188 7.411 7.411 8.091 -0.680 18186 757 1 4 . 1 1 41 41 ASN N N 189 119.819 119.819 117.868 1.951 18186 758 1 4 . 1 1 41 41 ASN HA H 189 4.279 4.279 4.449 -0.170 18186 759 1 4 . 1 1 41 41 ASN C C 189 176.175 176.175 175.770 0.405 18186 760 1 4 . 1 1 41 41 ASN CA C 189 56.664 56.664 55.686 0.978 18186 761 1 4 . 1 1 41 41 ASN CB C 189 39.680 39.680 38.550 1.130 18186 762 1 4 . 1 1 41 41 ASN H H 189 8.367 8.367 8.308 0.059 18186 763 1 4 . 1 1 42 42 PHE N N 190 115.910 115.910 117.368 -1.458 18186 764 1 4 . 1 1 42 42 PHE HA H 190 4.960 4.960 4.850 0.110 18186 765 1 4 . 1 1 42 42 PHE C C 190 175.606 175.606 175.035 0.571 18186 766 1 4 . 1 1 42 42 PHE CA C 190 55.918 55.918 56.058 -0.140 18186 767 1 4 . 1 1 42 42 PHE CB C 190 37.143 37.143 38.800 -1.657 18186 768 1 4 . 1 1 42 42 PHE H H 190 8.424 8.424 8.006 0.418 18186 769 1 4 . 1 1 43 43 GLU N N 191 119.788 119.788 121.566 -1.778 18186 770 1 4 . 1 1 43 43 GLU HA H 191 4.003 4.003 4.070 -0.067 18186 771 1 4 . 1 1 43 43 GLU C C 191 176.533 176.533 175.907 0.626 18186 772 1 4 . 1 1 43 43 GLU CA C 191 57.986 57.986 58.169 -0.183 18186 773 1 4 . 1 1 43 43 GLU CB C 191 27.992 27.992 27.296 0.696 18186 774 1 4 . 1 1 43 43 GLU H H 191 7.813 7.813 8.073 -0.260 18186 775 1 4 . 1 1 44 44 ASN N N 192 111.889 111.889 117.384 -5.495 18186 776 1 4 . 1 1 44 44 ASN HA H 192 4.257 4.257 4.709 -0.452 18186 777 1 4 . 1 1 44 44 ASN C C 192 174.399 174.399 173.965 0.434 18186 778 1 4 . 1 1 44 44 ASN CA C 192 54.532 54.532 53.964 0.568 18186 779 1 4 . 1 1 44 44 ASN CB C 192 37.989 37.989 40.693 -2.704 18186 780 1 4 . 1 1 44 44 ASN H H 192 9.162 9.162 8.697 0.465 18186 781 1 4 . 1 1 45 45 ASP N N 193 118.609 118.609 121.674 -3.065 18186 782 1 4 . 1 1 45 45 ASP HA H 193 4.773 4.773 4.966 -0.193 18186 783 1 4 . 1 1 45 45 ASP C C 193 175.994 175.994 176.097 -0.103 18186 784 1 4 . 1 1 45 45 ASP CA C 193 53.393 53.393 52.530 0.863 18186 785 1 4 . 1 1 45 45 ASP CB C 193 40.525 40.525 40.907 -0.382 18186 786 1 4 . 1 1 45 45 ASP H H 193 7.571 7.571 8.105 -0.534 18186 787 1 4 . 1 1 46 46 GLN N N 194 124.969 124.969 123.643 1.326 18186 788 1 4 . 1 1 46 46 GLN HA H 194 3.947 3.947 4.179 -0.232 18186 789 1 4 . 1 1 46 46 GLN C C 194 178.265 178.265 177.263 1.002 18186 790 1 4 . 1 1 46 46 GLN CA C 194 58.622 58.622 57.690 0.932 18186 791 1 4 . 1 1 46 46 GLN CB C 194 28.410 28.410 28.547 -0.137 18186 792 1 4 . 1 1 46 46 GLN H H 194 8.483 8.483 8.749 -0.266 18186 793 1 4 . 1 1 47 47 ALA N N 195 122.283 122.283 121.885 0.398 18186 794 1 4 . 1 1 47 47 ALA HA H 195 4.118 4.118 4.085 0.033 18186 795 1 4 . 1 1 47 47 ALA C C 195 180.158 180.158 178.461 1.697 18186 796 1 4 . 1 1 47 47 ALA CA C 195 55.047 55.047 54.213 0.834 18186 797 1 4 . 1 1 47 47 ALA CB C 195 17.990 17.990 18.227 -0.237 18186 798 1 4 . 1 1 47 47 ALA H H 195 8.259 8.259 7.992 0.267 18186 799 1 4 . 1 1 48 48 ALA N N 196 122.453 122.453 122.587 -0.134 18186 800 1 4 . 1 1 48 48 ALA HA H 196 3.885 3.885 3.951 -0.066 18186 801 1 4 . 1 1 48 48 ALA C C 196 179.094 179.094 179.089 0.005 18186 802 1 4 . 1 1 48 48 ALA CA C 196 54.761 54.761 54.515 0.246 18186 803 1 4 . 1 1 48 48 ALA CB C 196 18.090 18.090 17.721 0.369 18186 804 1 4 . 1 1 48 48 ALA H H 196 7.576 7.576 7.699 -0.123 18186 805 1 4 . 1 1 49 49 VAL N N 197 115.834 115.834 118.428 -2.594 18186 806 1 4 . 1 1 49 49 VAL HA H 197 3.262 3.262 3.498 -0.236 18186 807 1 4 . 1 1 49 49 VAL C C 197 177.538 177.538 178.080 -0.542 18186 808 1 4 . 1 1 49 49 VAL CA C 197 67.330 67.330 66.587 0.743 18186 809 1 4 . 1 1 49 49 VAL CB C 197 32.065 32.065 30.763 1.302 18186 810 1 4 . 1 1 49 49 VAL H H 197 7.635 7.635 7.594 0.041 18186 811 1 4 . 1 1 50 50 ARG N N 198 117.335 117.335 118.655 -1.320 18186 812 1 4 . 1 1 50 50 ARG HA H 198 3.966 3.966 3.923 0.043 18186 813 1 4 . 1 1 50 50 ARG C C 198 178.504 178.504 179.057 -0.553 18186 814 1 4 . 1 1 50 50 ARG CA C 198 59.205 59.205 60.124 -0.919 18186 815 1 4 . 1 1 50 50 ARG CB C 198 29.917 29.917 29.896 0.021 18186 816 1 4 . 1 1 50 50 ARG H H 198 8.022 8.022 7.713 0.309 18186 817 1 4 . 1 1 51 51 GLN N N 199 117.513 117.513 117.858 -0.345 18186 818 1 4 . 1 1 51 51 GLN HA H 199 4.079 4.079 3.978 0.101 18186 819 1 4 . 1 1 51 51 GLN C C 199 179.594 179.594 178.697 0.897 18186 820 1 4 . 1 1 51 51 GLN CA C 199 59.209 59.209 58.995 0.214 18186 821 1 4 . 1 1 51 51 GLN CB C 199 29.186 29.186 28.719 0.467 18186 822 1 4 . 1 1 51 51 GLN H H 199 7.849 7.849 7.928 -0.079 18186 823 1 4 . 1 1 52 52 VAL N N 200 120.041 120.041 117.307 2.734 18186 824 1 4 . 1 1 52 52 VAL HA H 200 3.984 3.984 3.852 0.132 18186 825 1 4 . 1 1 52 52 VAL C C 200 177.885 177.885 177.771 0.114 18186 826 1 4 . 1 1 52 52 VAL CA C 200 67.197 67.197 65.867 1.330 18186 827 1 4 . 1 1 52 52 VAL CB C 200 31.849 31.849 31.402 0.447 18186 828 1 4 . 1 1 52 52 VAL H H 200 8.189 8.189 8.127 0.062 18186 829 1 4 . 1 1 53 53 MET N N 201 118.360 118.360 119.677 -1.317 18186 830 1 4 . 1 1 53 53 MET HA H 201 4.384 4.384 4.303 0.081 18186 831 1 4 . 1 1 53 53 MET C C 201 178.909 178.909 178.915 -0.006 18186 832 1 4 . 1 1 53 53 MET CA C 201 56.727 56.727 57.636 -0.909 18186 833 1 4 . 1 1 53 53 MET CB C 201 30.041 30.041 31.167 -1.126 18186 834 1 4 . 1 1 53 53 MET H H 201 8.824 8.824 8.171 0.653 18186 835 1 4 . 1 1 54 54 GLU N N 202 117.888 117.888 118.900 -1.012 18186 836 1 4 . 1 1 54 54 GLU HA H 202 3.971 3.971 3.962 0.009 18186 837 1 4 . 1 1 54 54 GLU C C 202 179.317 179.317 179.015 0.302 18186 838 1 4 . 1 1 54 54 GLU CA C 202 59.753 59.753 59.029 0.724 18186 839 1 4 . 1 1 54 54 GLU CB C 202 29.433 29.433 29.312 0.121 18186 840 1 4 . 1 1 54 54 GLU H H 202 8.610 8.610 8.394 0.216 18186 841 1 4 . 1 1 55 55 ARG N N 203 120.547 120.547 121.087 -0.540 18186 842 1 4 . 1 1 55 55 ARG HA H 203 4.137 4.137 4.167 -0.030 18186 843 1 4 . 1 1 55 55 ARG C C 203 178.586 178.586 178.698 -0.112 18186 844 1 4 . 1 1 55 55 ARG CA C 203 59.981 59.981 59.126 0.855 18186 845 1 4 . 1 1 55 55 ARG CB C 203 29.915 29.915 30.230 -0.315 18186 846 1 4 . 1 1 55 55 ARG H H 203 7.585 7.585 7.758 -0.173 18186 847 1 4 . 1 1 56 56 LEU N N 204 119.246 119.246 120.409 -1.163 18186 848 1 4 . 1 1 56 56 LEU HA H 204 4.741 4.741 4.096 0.645 18186 849 1 4 . 1 1 56 56 LEU C C 204 180.650 180.650 179.316 1.334 18186 850 1 4 . 1 1 56 56 LEU CA C 204 58.247 58.247 58.037 0.210 18186 851 1 4 . 1 1 56 56 LEU CB C 204 43.834 43.834 41.964 1.870 18186 852 1 4 . 1 1 56 56 LEU H H 204 9.150 9.150 8.409 0.741 18186 853 1 4 . 1 1 57 57 GLN N N 205 117.821 117.821 118.032 -0.211 18186 854 1 4 . 1 1 57 57 GLN HA H 205 3.836 3.836 3.532 0.304 18186 855 1 4 . 1 1 57 57 GLN C C 205 179.341 179.341 178.259 1.082 18186 856 1 4 . 1 1 57 57 GLN CA C 205 59.618 59.618 58.990 0.628 18186 857 1 4 . 1 1 57 57 GLN CB C 205 28.153 28.153 28.021 0.132 18186 858 1 4 . 1 1 57 57 GLN H H 205 8.529 8.529 8.150 0.379 18186 859 1 4 . 1 1 58 58 LYS N N 206 122.702 122.702 120.820 1.882 18186 860 1 4 . 1 1 58 58 LYS HA H 206 4.176 4.176 3.995 0.181 18186 861 1 4 . 1 1 58 58 LYS C C 206 180.260 180.260 179.186 1.074 18186 862 1 4 . 1 1 58 58 LYS CA C 206 59.400 59.400 59.340 0.060 18186 863 1 4 . 1 1 58 58 LYS CB C 206 32.555 32.555 32.250 0.305 18186 864 1 4 . 1 1 58 58 LYS H H 206 8.449 8.449 8.017 0.432 18186 865 1 4 . 1 1 59 59 GLY N N 207 108.195 108.195 106.745 1.450 18186 866 1 4 . 1 1 59 59 GLY C C 207 175.772 175.772 175.678 0.094 18186 867 1 4 . 1 1 59 59 GLY CA C 207 48.776 48.776 46.862 1.914 18186 868 1 4 . 1 1 59 59 GLY H H 207 8.980 8.980 8.336 0.644 18186 869 1 4 . 1 1 60 60 TRP N N 208 122.252 122.252 123.429 -1.177 18186 870 1 4 . 1 1 60 60 TRP HA H 208 4.317 4.317 4.379 -0.062 18186 871 1 4 . 1 1 60 60 TRP C C 208 178.892 178.892 176.671 2.221 18186 872 1 4 . 1 1 60 60 TRP CA C 208 61.295 61.295 60.670 0.625 18186 873 1 4 . 1 1 60 60 TRP CB C 208 30.038 30.038 29.791 0.247 18186 874 1 4 . 1 1 60 60 TRP H H 208 8.539 8.539 8.347 0.192 18186 875 1 4 . 1 1 61 61 SER N N 209 111.947 111.947 113.256 -1.309 18186 876 1 4 . 1 1 61 61 SER HA H 209 4.350 4.350 4.287 0.063 18186 877 1 4 . 1 1 61 61 SER C C 209 175.979 175.979 176.673 -0.694 18186 878 1 4 . 1 1 61 61 SER CA C 209 61.244 61.244 61.344 -0.100 18186 879 1 4 . 1 1 61 61 SER CB C 209 63.501 63.501 62.996 0.505 18186 880 1 4 . 1 1 61 61 SER H H 209 7.506 7.506 7.905 -0.399 18186 881 1 4 . 1 1 62 62 LEU N N 210 121.081 121.081 120.948 0.133 18186 882 1 4 . 1 1 62 62 LEU HA H 210 4.265 4.265 4.299 -0.034 18186 883 1 4 . 1 1 62 62 LEU C C 210 177.971 177.971 177.670 0.301 18186 884 1 4 . 1 1 62 62 LEU CA C 210 56.547 56.547 56.777 -0.230 18186 885 1 4 . 1 1 62 62 LEU CB C 210 43.115 43.115 42.303 0.812 18186 886 1 4 . 1 1 62 62 LEU H H 210 7.847 7.847 7.735 0.112 18186 887 1 4 . 1 1 63 63 ALA N N 211 121.059 121.059 119.333 1.726 18186 888 1 4 . 1 1 63 63 ALA HA H 211 4.235 4.235 4.422 -0.187 18186 889 1 4 . 1 1 63 63 ALA C C 211 174.771 174.771 176.985 -2.214 18186 890 1 4 . 1 1 63 63 ALA CA C 211 51.860 51.860 51.438 0.423 18186 891 1 4 . 1 1 63 63 ALA CB C 211 19.824 19.824 18.513 1.311 18186 892 1 4 . 1 1 63 63 ALA H H 211 7.805 7.805 7.880 -0.075 18186 893 1 5 . 1 1 26 26 GLU N N 174 123.201 123.201 123.643 -0.442 18186 894 1 5 . 1 1 26 26 GLU HA H 174 4.422 4.422 4.653 -0.231 18186 895 1 5 . 1 1 26 26 GLU C C 174 176.498 176.498 175.504 0.994 18186 896 1 5 . 1 1 26 26 GLU CA C 174 55.987 55.987 55.953 0.034 18186 897 1 5 . 1 1 26 26 GLU CB C 174 30.674 30.674 28.895 1.778 18186 898 1 5 . 1 1 26 26 GLU H H 174 8.463 8.463 8.667 -0.204 18186 899 1 5 . 1 1 27 27 LEU N N 175 125.204 125.204 124.177 1.027 18186 900 1 5 . 1 1 27 27 LEU HA H 175 4.464 4.464 4.765 -0.301 18186 901 1 5 . 1 1 27 27 LEU C C 175 176.514 176.514 176.085 0.429 18186 902 1 5 . 1 1 27 27 LEU CA C 175 55.039 55.039 54.759 0.280 18186 903 1 5 . 1 1 27 27 LEU CB C 175 42.868 42.868 44.945 -2.077 18186 904 1 5 . 1 1 27 27 LEU H H 175 8.479 8.479 7.875 0.604 18186 905 1 5 . 1 1 28 28 THR N N 176 117.260 117.260 117.392 -0.132 18186 906 1 5 . 1 1 28 28 THR HA H 176 4.430 4.430 4.595 -0.165 18186 907 1 5 . 1 1 28 28 THR C C 176 173.007 173.007 173.098 -0.091 18186 908 1 5 . 1 1 28 28 THR CA C 176 61.148 61.148 61.932 -0.784 18186 909 1 5 . 1 1 28 28 THR CB C 176 70.400 70.400 69.698 0.702 18186 910 1 5 . 1 1 28 28 THR H H 176 8.363 8.363 8.318 0.045 18186 911 1 5 . 1 1 29 29 VAL N N 177 124.841 124.841 124.808 0.033 18186 912 1 5 . 1 1 29 29 VAL HA H 177 3.604 3.604 3.981 -0.377 18186 913 1 5 . 1 1 29 29 VAL CA C 177 59.318 59.318 58.061 1.257 18186 914 1 5 . 1 1 29 29 VAL CB C 177 33.054 33.054 32.376 0.678 18186 915 1 5 . 1 1 29 29 VAL H H 177 7.950 7.950 8.052 -0.102 18186 916 1 5 . 1 1 30 30 PRO HA H 178 4.797 4.797 4.463 0.334 18186 917 1 5 . 1 1 30 30 PRO C C 178 175.813 175.813 176.711 -0.898 18186 918 1 5 . 1 1 30 30 PRO CA C 178 60.737 60.737 62.586 -1.849 18186 919 1 5 . 1 1 30 30 PRO CB C 178 28.074 28.074 30.419 -2.345 18186 920 1 5 . 1 1 31 31 TRP N N 179 125.415 125.415 124.344 1.071 18186 921 1 5 . 1 1 31 31 TRP HA H 179 4.179 4.179 4.241 -0.062 18186 922 1 5 . 1 1 31 31 TRP C C 179 177.545 177.545 177.494 0.051 18186 923 1 5 . 1 1 31 31 TRP CA C 179 60.702 60.702 60.040 0.662 18186 924 1 5 . 1 1 31 31 TRP CB C 179 30.098 30.098 29.261 0.837 18186 925 1 5 . 1 1 31 31 TRP H H 179 7.898 7.898 7.845 0.053 18186 926 1 5 . 1 1 32 32 ASP N N 180 117.166 117.166 120.250 -3.084 18186 927 1 5 . 1 1 32 32 ASP HA H 180 4.480 4.480 4.383 0.097 18186 928 1 5 . 1 1 32 32 ASP C C 180 179.109 179.109 177.841 1.268 18186 929 1 5 . 1 1 32 32 ASP CA C 180 57.553 57.553 58.607 -1.054 18186 930 1 5 . 1 1 32 32 ASP CB C 180 39.449 39.449 39.837 -0.387 18186 931 1 5 . 1 1 32 32 ASP H H 180 8.740 8.740 8.536 0.204 18186 932 1 5 . 1 1 33 33 ASP N N 181 121.203 121.203 120.151 1.052 18186 933 1 5 . 1 1 33 33 ASP HA H 181 4.493 4.493 4.475 0.018 18186 934 1 5 . 1 1 33 33 ASP C C 181 179.288 179.288 178.827 0.461 18186 935 1 5 . 1 1 33 33 ASP CA C 181 57.069 57.069 56.859 0.210 18186 936 1 5 . 1 1 33 33 ASP CB C 181 40.808 40.808 40.550 0.258 18186 937 1 5 . 1 1 33 33 ASP H H 181 7.713 7.713 8.428 -0.715 18186 938 1 5 . 1 1 34 34 ILE N N 182 122.718 122.718 120.761 1.957 18186 939 1 5 . 1 1 34 34 ILE HA H 182 3.479 3.479 3.662 -0.183 18186 940 1 5 . 1 1 34 34 ILE C C 182 176.679 176.679 177.479 -0.800 18186 941 1 5 . 1 1 34 34 ILE CA C 182 65.867 65.867 65.277 0.590 18186 942 1 5 . 1 1 34 34 ILE CB C 182 37.745 37.745 37.968 -0.223 18186 943 1 5 . 1 1 34 34 ILE H H 182 7.979 7.979 8.188 -0.209 18186 944 1 5 . 1 1 35 35 GLU N N 183 122.734 122.734 120.750 1.984 18186 945 1 5 . 1 1 35 35 GLU HA H 183 3.856 3.856 3.985 -0.129 18186 946 1 5 . 1 1 35 35 GLU C C 183 178.061 178.061 178.791 -0.730 18186 947 1 5 . 1 1 35 35 GLU CA C 183 61.190 61.190 59.729 1.461 18186 948 1 5 . 1 1 35 35 GLU CB C 183 29.306 29.306 29.627 -0.321 18186 949 1 5 . 1 1 35 35 GLU H H 183 8.938 8.938 8.187 0.751 18186 950 1 5 . 1 1 36 36 ALA N N 184 119.761 119.761 121.707 -1.946 18186 951 1 5 . 1 1 36 36 ALA HA H 184 4.022 4.022 4.147 -0.125 18186 952 1 5 . 1 1 36 36 ALA C C 184 180.257 180.257 179.734 0.523 18186 953 1 5 . 1 1 36 36 ALA CA C 184 55.378 55.378 54.944 0.434 18186 954 1 5 . 1 1 36 36 ALA CB C 184 18.118 18.118 18.308 -0.190 18186 955 1 5 . 1 1 36 36 ALA H H 184 7.675 7.675 7.820 -0.145 18186 956 1 5 . 1 1 37 37 LEU N N 185 120.850 120.850 120.480 0.370 18186 957 1 5 . 1 1 37 37 LEU HA H 185 4.168 4.168 4.171 -0.003 18186 958 1 5 . 1 1 37 37 LEU C C 185 179.866 179.866 178.792 1.074 18186 959 1 5 . 1 1 37 37 LEU CA C 185 58.236 58.236 57.865 0.371 18186 960 1 5 . 1 1 37 37 LEU CB C 185 41.824 41.824 42.073 -0.249 18186 961 1 5 . 1 1 37 37 LEU H H 185 7.563 7.563 7.706 -0.143 18186 962 1 5 . 1 1 38 38 LEU N N 186 120.391 120.391 118.908 1.483 18186 963 1 5 . 1 1 38 38 LEU HA H 186 3.677 3.677 4.150 -0.473 18186 964 1 5 . 1 1 38 38 LEU C C 186 178.449 178.449 179.370 -0.921 18186 965 1 5 . 1 1 38 38 LEU CA C 186 57.844 57.844 57.482 0.362 18186 966 1 5 . 1 1 38 38 LEU CB C 186 41.641 41.641 40.612 1.029 18186 967 1 5 . 1 1 38 38 LEU H H 186 8.633 8.633 8.625 0.008 18186 968 1 5 . 1 1 39 39 LYS N N 187 119.670 119.670 120.792 -1.122 18186 969 1 5 . 1 1 39 39 LYS HA H 187 3.778 3.778 4.002 -0.224 18186 970 1 5 . 1 1 39 39 LYS C C 187 178.295 178.295 178.212 0.083 18186 971 1 5 . 1 1 39 39 LYS CA C 187 60.595 60.595 60.071 0.524 18186 972 1 5 . 1 1 39 39 LYS CB C 187 32.354 32.354 32.443 -0.089 18186 973 1 5 . 1 1 39 39 LYS H H 187 8.641 8.641 8.301 0.340 18186 974 1 5 . 1 1 40 40 ASN N N 188 115.677 115.677 116.493 -0.816 18186 975 1 5 . 1 1 40 40 ASN HA H 188 4.529 4.529 4.507 0.022 18186 976 1 5 . 1 1 40 40 ASN C C 188 177.759 177.759 178.140 -0.381 18186 977 1 5 . 1 1 40 40 ASN CA C 188 55.888 55.888 55.802 0.086 18186 978 1 5 . 1 1 40 40 ASN CB C 188 38.679 38.679 38.565 0.114 18186 979 1 5 . 1 1 40 40 ASN H H 188 7.411 7.411 8.135 -0.724 18186 980 1 5 . 1 1 41 41 ASN N N 189 119.819 119.819 117.611 2.208 18186 981 1 5 . 1 1 41 41 ASN HA H 189 4.279 4.279 4.491 -0.212 18186 982 1 5 . 1 1 41 41 ASN C C 189 176.175 176.175 175.722 0.453 18186 983 1 5 . 1 1 41 41 ASN CA C 189 56.664 56.664 55.365 1.299 18186 984 1 5 . 1 1 41 41 ASN CB C 189 39.680 39.680 39.097 0.583 18186 985 1 5 . 1 1 41 41 ASN H H 189 8.367 8.367 8.117 0.250 18186 986 1 5 . 1 1 42 42 PHE N N 190 115.910 115.910 116.990 -1.080 18186 987 1 5 . 1 1 42 42 PHE HA H 190 4.960 4.960 4.788 0.172 18186 988 1 5 . 1 1 42 42 PHE C C 190 175.606 175.606 174.907 0.699 18186 989 1 5 . 1 1 42 42 PHE CA C 190 55.918 55.918 55.936 -0.018 18186 990 1 5 . 1 1 42 42 PHE CB C 190 37.143 37.143 38.608 -1.465 18186 991 1 5 . 1 1 42 42 PHE H H 190 8.424 8.424 7.870 0.554 18186 992 1 5 . 1 1 43 43 GLU N N 191 119.788 119.788 121.135 -1.347 18186 993 1 5 . 1 1 43 43 GLU HA H 191 4.003 4.003 4.134 -0.131 18186 994 1 5 . 1 1 43 43 GLU C C 191 176.533 176.533 175.863 0.670 18186 995 1 5 . 1 1 43 43 GLU CA C 191 57.986 57.986 57.695 0.291 18186 996 1 5 . 1 1 43 43 GLU CB C 191 27.992 27.992 27.148 0.844 18186 997 1 5 . 1 1 43 43 GLU H H 191 7.813 7.813 8.208 -0.395 18186 998 1 5 . 1 1 44 44 ASN N N 192 111.889 111.889 116.816 -4.927 18186 999 1 5 . 1 1 44 44 ASN HA H 192 4.257 4.257 4.749 -0.492 18186 1000 1 5 . 1 1 44 44 ASN C C 192 174.399 174.399 174.278 0.121 18186 1001 1 5 . 1 1 44 44 ASN CA C 192 54.532 54.532 53.997 0.535 18186 1002 1 5 . 1 1 44 44 ASN CB C 192 37.989 37.989 41.007 -3.018 18186 1003 1 5 . 1 1 44 44 ASN H H 192 9.162 9.162 8.736 0.426 18186 1004 1 5 . 1 1 45 45 ASP N N 193 118.609 118.609 122.767 -4.158 18186 1005 1 5 . 1 1 45 45 ASP HA H 193 4.773 4.773 4.995 -0.222 18186 1006 1 5 . 1 1 45 45 ASP C C 193 175.994 175.994 176.034 -0.040 18186 1007 1 5 . 1 1 45 45 ASP CA C 193 53.393 53.393 53.386 0.007 18186 1008 1 5 . 1 1 45 45 ASP CB C 193 40.525 40.525 41.365 -0.840 18186 1009 1 5 . 1 1 45 45 ASP H H 193 7.571 7.571 8.277 -0.706 18186 1010 1 5 . 1 1 46 46 GLN N N 194 124.969 124.969 122.831 2.138 18186 1011 1 5 . 1 1 46 46 GLN HA H 194 3.947 3.947 4.019 -0.072 18186 1012 1 5 . 1 1 46 46 GLN C C 194 178.265 178.265 177.523 0.742 18186 1013 1 5 . 1 1 46 46 GLN CA C 194 58.622 58.622 58.778 -0.156 18186 1014 1 5 . 1 1 46 46 GLN CB C 194 28.410 28.410 28.506 -0.096 18186 1015 1 5 . 1 1 46 46 GLN H H 194 8.483 8.483 8.668 -0.185 18186 1016 1 5 . 1 1 47 47 ALA N N 195 122.283 122.283 121.051 1.232 18186 1017 1 5 . 1 1 47 47 ALA HA H 195 4.118 4.118 3.904 0.214 18186 1018 1 5 . 1 1 47 47 ALA C C 195 180.158 180.158 178.608 1.550 18186 1019 1 5 . 1 1 47 47 ALA CA C 195 55.047 55.047 54.808 0.239 18186 1020 1 5 . 1 1 47 47 ALA CB C 195 17.990 17.990 17.936 0.054 18186 1021 1 5 . 1 1 47 47 ALA H H 195 8.259 8.259 8.616 -0.357 18186 1022 1 5 . 1 1 48 48 ALA N N 196 122.453 122.453 121.077 1.376 18186 1023 1 5 . 1 1 48 48 ALA HA H 196 3.885 3.885 3.927 -0.042 18186 1024 1 5 . 1 1 48 48 ALA C C 196 179.094 179.094 179.271 -0.177 18186 1025 1 5 . 1 1 48 48 ALA CA C 196 54.761 54.761 54.390 0.371 18186 1026 1 5 . 1 1 48 48 ALA CB C 196 18.090 18.090 17.798 0.292 18186 1027 1 5 . 1 1 48 48 ALA H H 196 7.576 7.576 7.369 0.207 18186 1028 1 5 . 1 1 49 49 VAL N N 197 115.834 115.834 118.765 -2.931 18186 1029 1 5 . 1 1 49 49 VAL HA H 197 3.262 3.262 3.506 -0.244 18186 1030 1 5 . 1 1 49 49 VAL C C 197 177.538 177.538 178.401 -0.863 18186 1031 1 5 . 1 1 49 49 VAL CA C 197 67.330 67.330 66.231 1.099 18186 1032 1 5 . 1 1 49 49 VAL CB C 197 32.065 32.065 30.694 1.371 18186 1033 1 5 . 1 1 49 49 VAL H H 197 7.635 7.635 7.610 0.025 18186 1034 1 5 . 1 1 50 50 ARG N N 198 117.335 117.335 118.856 -1.521 18186 1035 1 5 . 1 1 50 50 ARG HA H 198 3.966 3.966 3.878 0.088 18186 1036 1 5 . 1 1 50 50 ARG C C 198 178.504 178.504 178.925 -0.421 18186 1037 1 5 . 1 1 50 50 ARG CA C 198 59.205 59.205 60.265 -1.060 18186 1038 1 5 . 1 1 50 50 ARG CB C 198 29.917 29.917 29.904 0.013 18186 1039 1 5 . 1 1 50 50 ARG H H 198 8.022 8.022 8.075 -0.053 18186 1040 1 5 . 1 1 51 51 GLN N N 199 117.513 117.513 117.911 -0.398 18186 1041 1 5 . 1 1 51 51 GLN HA H 199 4.079 4.079 3.970 0.109 18186 1042 1 5 . 1 1 51 51 GLN C C 199 179.594 179.594 178.646 0.948 18186 1043 1 5 . 1 1 51 51 GLN CA C 199 59.209 59.209 58.990 0.219 18186 1044 1 5 . 1 1 51 51 GLN CB C 199 29.186 29.186 28.696 0.490 18186 1045 1 5 . 1 1 51 51 GLN H H 199 7.849 7.849 7.939 -0.090 18186 1046 1 5 . 1 1 52 52 VAL N N 200 120.041 120.041 117.164 2.877 18186 1047 1 5 . 1 1 52 52 VAL HA H 200 3.984 3.984 3.876 0.108 18186 1048 1 5 . 1 1 52 52 VAL C C 200 177.885 177.885 177.799 0.086 18186 1049 1 5 . 1 1 52 52 VAL CA C 200 67.197 67.197 65.722 1.475 18186 1050 1 5 . 1 1 52 52 VAL CB C 200 31.849 31.849 31.119 0.730 18186 1051 1 5 . 1 1 52 52 VAL H H 200 8.189 8.189 8.213 -0.024 18186 1052 1 5 . 1 1 53 53 MET N N 201 118.360 118.360 120.257 -1.897 18186 1053 1 5 . 1 1 53 53 MET HA H 201 4.384 4.384 4.289 0.095 18186 1054 1 5 . 1 1 53 53 MET C C 201 178.909 178.909 178.826 0.083 18186 1055 1 5 . 1 1 53 53 MET CA C 201 56.727 56.727 58.005 -1.278 18186 1056 1 5 . 1 1 53 53 MET CB C 201 30.041 30.041 31.111 -1.070 18186 1057 1 5 . 1 1 53 53 MET H H 201 8.824 8.824 8.209 0.615 18186 1058 1 5 . 1 1 54 54 GLU N N 202 117.888 117.888 118.820 -0.932 18186 1059 1 5 . 1 1 54 54 GLU HA H 202 3.971 3.971 3.954 0.017 18186 1060 1 5 . 1 1 54 54 GLU C C 202 179.317 179.317 179.068 0.249 18186 1061 1 5 . 1 1 54 54 GLU CA C 202 59.753 59.753 59.103 0.650 18186 1062 1 5 . 1 1 54 54 GLU CB C 202 29.433 29.433 29.320 0.113 18186 1063 1 5 . 1 1 54 54 GLU H H 202 8.610 8.610 8.361 0.249 18186 1064 1 5 . 1 1 55 55 ARG N N 203 120.547 120.547 121.018 -0.471 18186 1065 1 5 . 1 1 55 55 ARG HA H 203 4.137 4.137 4.181 -0.044 18186 1066 1 5 . 1 1 55 55 ARG C C 203 178.586 178.586 178.657 -0.071 18186 1067 1 5 . 1 1 55 55 ARG CA C 203 59.981 59.981 59.105 0.876 18186 1068 1 5 . 1 1 55 55 ARG CB C 203 29.915 29.915 30.255 -0.340 18186 1069 1 5 . 1 1 55 55 ARG H H 203 7.585 7.585 7.727 -0.142 18186 1070 1 5 . 1 1 56 56 LEU N N 204 119.246 119.246 120.498 -1.252 18186 1071 1 5 . 1 1 56 56 LEU HA H 204 4.741 4.741 4.088 0.653 18186 1072 1 5 . 1 1 56 56 LEU C C 204 180.650 180.650 179.307 1.343 18186 1073 1 5 . 1 1 56 56 LEU CA C 204 58.247 58.247 58.082 0.165 18186 1074 1 5 . 1 1 56 56 LEU CB C 204 43.834 43.834 41.953 1.881 18186 1075 1 5 . 1 1 56 56 LEU H H 204 9.150 9.150 8.481 0.669 18186 1076 1 5 . 1 1 57 57 GLN N N 205 117.821 117.821 117.953 -0.132 18186 1077 1 5 . 1 1 57 57 GLN HA H 205 3.836 3.836 3.586 0.250 18186 1078 1 5 . 1 1 57 57 GLN C C 205 179.341 179.341 178.370 0.971 18186 1079 1 5 . 1 1 57 57 GLN CA C 205 59.618 59.618 58.907 0.711 18186 1080 1 5 . 1 1 57 57 GLN CB C 205 28.153 28.153 28.037 0.116 18186 1081 1 5 . 1 1 57 57 GLN H H 205 8.529 8.529 8.131 0.398 18186 1082 1 5 . 1 1 58 58 LYS N N 206 122.702 122.702 121.038 1.664 18186 1083 1 5 . 1 1 58 58 LYS HA H 206 4.176 4.176 3.989 0.187 18186 1084 1 5 . 1 1 58 58 LYS C C 206 180.260 180.260 179.142 1.118 18186 1085 1 5 . 1 1 58 58 LYS CA C 206 59.400 59.400 59.342 0.058 18186 1086 1 5 . 1 1 58 58 LYS CB C 206 32.555 32.555 32.273 0.282 18186 1087 1 5 . 1 1 58 58 LYS H H 206 8.449 8.449 7.917 0.532 18186 1088 1 5 . 1 1 59 59 GLY N N 207 108.195 108.195 106.730 1.465 18186 1089 1 5 . 1 1 59 59 GLY C C 207 175.772 175.772 175.669 0.103 18186 1090 1 5 . 1 1 59 59 GLY CA C 207 48.776 48.776 46.894 1.883 18186 1091 1 5 . 1 1 59 59 GLY H H 207 8.980 8.980 8.446 0.534 18186 1092 1 5 . 1 1 60 60 TRP N N 208 122.252 122.252 122.835 -0.583 18186 1093 1 5 . 1 1 60 60 TRP HA H 208 4.317 4.317 4.431 -0.114 18186 1094 1 5 . 1 1 60 60 TRP C C 208 178.892 178.892 176.538 2.354 18186 1095 1 5 . 1 1 60 60 TRP CA C 208 61.295 61.295 60.634 0.661 18186 1096 1 5 . 1 1 60 60 TRP CB C 208 30.038 30.038 29.786 0.252 18186 1097 1 5 . 1 1 60 60 TRP H H 208 8.539 8.539 8.277 0.262 18186 1098 1 5 . 1 1 61 61 SER N N 209 111.947 111.947 112.861 -0.914 18186 1099 1 5 . 1 1 61 61 SER HA H 209 4.350 4.350 4.322 0.028 18186 1100 1 5 . 1 1 61 61 SER C C 209 175.979 175.979 176.503 -0.524 18186 1101 1 5 . 1 1 61 61 SER CA C 209 61.244 61.244 61.006 0.238 18186 1102 1 5 . 1 1 61 61 SER CB C 209 63.501 63.501 63.391 0.110 18186 1103 1 5 . 1 1 61 61 SER H H 209 7.506 7.506 7.810 -0.304 18186 1104 1 5 . 1 1 62 62 LEU N N 210 121.081 121.081 121.522 -0.441 18186 1105 1 5 . 1 1 62 62 LEU HA H 210 4.265 4.265 4.279 -0.014 18186 1106 1 5 . 1 1 62 62 LEU C C 210 177.971 177.971 177.654 0.317 18186 1107 1 5 . 1 1 62 62 LEU CA C 210 56.547 56.547 56.720 -0.173 18186 1108 1 5 . 1 1 62 62 LEU CB C 210 43.115 43.115 42.227 0.888 18186 1109 1 5 . 1 1 62 62 LEU H H 210 7.847 7.847 7.712 0.135 18186 1110 1 5 . 1 1 63 63 ALA N N 211 121.059 121.059 120.418 0.641 18186 1111 1 5 . 1 1 63 63 ALA HA H 211 4.235 4.235 4.325 -0.090 18186 1112 1 5 . 1 1 63 63 ALA C C 211 174.771 174.771 176.592 -1.821 18186 1113 1 5 . 1 1 63 63 ALA CA C 211 51.860 51.860 52.232 -0.372 18186 1114 1 5 . 1 1 63 63 ALA CB C 211 19.824 19.824 18.253 1.571 18186 1115 1 5 . 1 1 63 63 ALA H H 211 7.805 7.805 7.831 -0.026 18186 1116 1 6 . 1 1 26 26 GLU N N 174 123.201 123.201 120.699 2.502 18186 1117 1 6 . 1 1 26 26 GLU HA H 174 4.422 4.422 4.665 -0.243 18186 1118 1 6 . 1 1 26 26 GLU C C 174 176.498 176.498 175.484 1.014 18186 1119 1 6 . 1 1 26 26 GLU CA C 174 55.987 55.987 55.947 0.040 18186 1120 1 6 . 1 1 26 26 GLU CB C 174 30.674 30.674 30.252 0.422 18186 1121 1 6 . 1 1 26 26 GLU H H 174 8.463 8.463 8.702 -0.239 18186 1122 1 6 . 1 1 27 27 LEU N N 175 125.204 125.204 122.524 2.680 18186 1123 1 6 . 1 1 27 27 LEU HA H 175 4.464 4.464 4.358 0.106 18186 1124 1 6 . 1 1 27 27 LEU C C 175 176.514 176.514 176.610 -0.096 18186 1125 1 6 . 1 1 27 27 LEU CA C 175 55.039 55.039 55.113 -0.074 18186 1126 1 6 . 1 1 27 27 LEU CB C 175 42.868 42.868 42.497 0.371 18186 1127 1 6 . 1 1 27 27 LEU H H 175 8.479 8.479 7.819 0.660 18186 1128 1 6 . 1 1 28 28 THR N N 176 117.260 117.260 118.072 -0.812 18186 1129 1 6 . 1 1 28 28 THR HA H 176 4.430 4.430 4.695 -0.265 18186 1130 1 6 . 1 1 28 28 THR C C 176 173.007 173.007 173.262 -0.255 18186 1131 1 6 . 1 1 28 28 THR CA C 176 61.148 61.148 61.545 -0.397 18186 1132 1 6 . 1 1 28 28 THR CB C 176 70.400 70.400 69.932 0.468 18186 1133 1 6 . 1 1 28 28 THR H H 176 8.363 8.363 8.127 0.236 18186 1134 1 6 . 1 1 29 29 VAL N N 177 124.841 124.841 124.270 0.571 18186 1135 1 6 . 1 1 29 29 VAL HA H 177 3.604 3.604 4.009 -0.405 18186 1136 1 6 . 1 1 29 29 VAL CA C 177 59.318 59.318 57.639 1.679 18186 1137 1 6 . 1 1 29 29 VAL CB C 177 33.054 33.054 32.263 0.791 18186 1138 1 6 . 1 1 29 29 VAL H H 177 7.950 7.950 7.958 -0.008 18186 1139 1 6 . 1 1 30 30 PRO HA H 178 4.797 4.797 4.433 0.364 18186 1140 1 6 . 1 1 30 30 PRO C C 178 175.813 175.813 176.408 -0.595 18186 1141 1 6 . 1 1 30 30 PRO CA C 178 60.737 60.737 62.624 -1.887 18186 1142 1 6 . 1 1 30 30 PRO CB C 178 28.074 28.074 30.336 -2.262 18186 1143 1 6 . 1 1 31 31 TRP N N 179 125.415 125.415 124.452 0.963 18186 1144 1 6 . 1 1 31 31 TRP HA H 179 4.179 4.179 4.215 -0.036 18186 1145 1 6 . 1 1 31 31 TRP C C 179 177.545 177.545 177.711 -0.166 18186 1146 1 6 . 1 1 31 31 TRP CA C 179 60.702 60.702 60.266 0.436 18186 1147 1 6 . 1 1 31 31 TRP CB C 179 30.098 30.098 29.284 0.814 18186 1148 1 6 . 1 1 31 31 TRP H H 179 7.898 7.898 7.797 0.101 18186 1149 1 6 . 1 1 32 32 ASP N N 180 117.166 117.166 119.910 -2.744 18186 1150 1 6 . 1 1 32 32 ASP HA H 180 4.480 4.480 4.429 0.051 18186 1151 1 6 . 1 1 32 32 ASP C C 180 179.109 179.109 177.527 1.582 18186 1152 1 6 . 1 1 32 32 ASP CA C 180 57.553 57.553 57.719 -0.166 18186 1153 1 6 . 1 1 32 32 ASP CB C 180 39.449 39.449 40.336 -0.887 18186 1154 1 6 . 1 1 32 32 ASP H H 180 8.740 8.740 8.605 0.135 18186 1155 1 6 . 1 1 33 33 ASP N N 181 121.203 121.203 119.910 1.293 18186 1156 1 6 . 1 1 33 33 ASP HA H 181 4.493 4.493 4.411 0.082 18186 1157 1 6 . 1 1 33 33 ASP C C 181 179.288 179.288 178.545 0.743 18186 1158 1 6 . 1 1 33 33 ASP CA C 181 57.069 57.069 57.465 -0.396 18186 1159 1 6 . 1 1 33 33 ASP CB C 181 40.808 40.808 40.579 0.229 18186 1160 1 6 . 1 1 33 33 ASP H H 181 7.713 7.713 8.442 -0.729 18186 1161 1 6 . 1 1 34 34 ILE N N 182 122.718 122.718 120.096 2.622 18186 1162 1 6 . 1 1 34 34 ILE HA H 182 3.479 3.479 3.641 -0.162 18186 1163 1 6 . 1 1 34 34 ILE C C 182 176.679 176.679 177.384 -0.705 18186 1164 1 6 . 1 1 34 34 ILE CA C 182 65.867 65.867 65.240 0.627 18186 1165 1 6 . 1 1 34 34 ILE CB C 182 37.745 37.745 37.970 -0.225 18186 1166 1 6 . 1 1 34 34 ILE H H 182 7.979 7.979 8.220 -0.241 18186 1167 1 6 . 1 1 35 35 GLU N N 183 122.734 122.734 120.780 1.954 18186 1168 1 6 . 1 1 35 35 GLU HA H 183 3.856 3.856 3.984 -0.128 18186 1169 1 6 . 1 1 35 35 GLU C C 183 178.061 178.061 178.811 -0.750 18186 1170 1 6 . 1 1 35 35 GLU CA C 183 61.190 61.190 59.786 1.404 18186 1171 1 6 . 1 1 35 35 GLU CB C 183 29.306 29.306 29.566 -0.260 18186 1172 1 6 . 1 1 35 35 GLU H H 183 8.938 8.938 8.135 0.803 18186 1173 1 6 . 1 1 36 36 ALA N N 184 119.761 119.761 121.723 -1.962 18186 1174 1 6 . 1 1 36 36 ALA HA H 184 4.022 4.022 4.155 -0.133 18186 1175 1 6 . 1 1 36 36 ALA C C 184 180.257 180.257 179.721 0.536 18186 1176 1 6 . 1 1 36 36 ALA CA C 184 55.378 55.378 54.924 0.454 18186 1177 1 6 . 1 1 36 36 ALA CB C 184 18.118 18.118 18.307 -0.189 18186 1178 1 6 . 1 1 36 36 ALA H H 184 7.675 7.675 7.901 -0.226 18186 1179 1 6 . 1 1 37 37 LEU N N 185 120.850 120.850 120.565 0.285 18186 1180 1 6 . 1 1 37 37 LEU HA H 185 4.168 4.168 4.171 -0.003 18186 1181 1 6 . 1 1 37 37 LEU C C 185 179.866 179.866 178.765 1.101 18186 1182 1 6 . 1 1 37 37 LEU CA C 185 58.236 58.236 57.884 0.352 18186 1183 1 6 . 1 1 37 37 LEU CB C 185 41.824 41.824 42.062 -0.238 18186 1184 1 6 . 1 1 37 37 LEU H H 185 7.563 7.563 7.674 -0.111 18186 1185 1 6 . 1 1 38 38 LEU N N 186 120.391 120.391 119.016 1.375 18186 1186 1 6 . 1 1 38 38 LEU HA H 186 3.677 3.677 4.141 -0.464 18186 1187 1 6 . 1 1 38 38 LEU C C 186 178.449 178.449 179.335 -0.886 18186 1188 1 6 . 1 1 38 38 LEU CA C 186 57.844 57.844 57.471 0.373 18186 1189 1 6 . 1 1 38 38 LEU CB C 186 41.641 41.641 40.617 1.024 18186 1190 1 6 . 1 1 38 38 LEU H H 186 8.633 8.633 8.649 -0.016 18186 1191 1 6 . 1 1 39 39 LYS N N 187 119.670 119.670 120.784 -1.114 18186 1192 1 6 . 1 1 39 39 LYS HA H 187 3.778 3.778 3.989 -0.211 18186 1193 1 6 . 1 1 39 39 LYS C C 187 178.295 178.295 178.291 0.004 18186 1194 1 6 . 1 1 39 39 LYS CA C 187 60.595 60.595 60.093 0.502 18186 1195 1 6 . 1 1 39 39 LYS CB C 187 32.354 32.354 32.430 -0.076 18186 1196 1 6 . 1 1 39 39 LYS H H 187 8.641 8.641 8.269 0.372 18186 1197 1 6 . 1 1 40 40 ASN N N 188 115.677 115.677 116.930 -1.253 18186 1198 1 6 . 1 1 40 40 ASN HA H 188 4.529 4.529 4.477 0.052 18186 1199 1 6 . 1 1 40 40 ASN C C 188 177.759 177.759 178.651 -0.892 18186 1200 1 6 . 1 1 40 40 ASN CA C 188 55.888 55.888 56.085 -0.197 18186 1201 1 6 . 1 1 40 40 ASN CB C 188 38.679 38.679 38.503 0.176 18186 1202 1 6 . 1 1 40 40 ASN H H 188 7.411 7.411 8.182 -0.771 18186 1203 1 6 . 1 1 41 41 ASN N N 189 119.819 119.819 117.648 2.171 18186 1204 1 6 . 1 1 41 41 ASN HA H 189 4.279 4.279 4.454 -0.175 18186 1205 1 6 . 1 1 41 41 ASN C C 189 176.175 176.175 175.706 0.469 18186 1206 1 6 . 1 1 41 41 ASN CA C 189 56.664 56.664 55.613 1.051 18186 1207 1 6 . 1 1 41 41 ASN CB C 189 39.680 39.680 38.609 1.071 18186 1208 1 6 . 1 1 41 41 ASN H H 189 8.367 8.367 8.236 0.131 18186 1209 1 6 . 1 1 42 42 PHE N N 190 115.910 115.910 116.805 -0.895 18186 1210 1 6 . 1 1 42 42 PHE HA H 190 4.960 4.960 4.821 0.139 18186 1211 1 6 . 1 1 42 42 PHE C C 190 175.606 175.606 174.917 0.689 18186 1212 1 6 . 1 1 42 42 PHE CA C 190 55.918 55.918 56.038 -0.120 18186 1213 1 6 . 1 1 42 42 PHE CB C 190 37.143 37.143 38.401 -1.258 18186 1214 1 6 . 1 1 42 42 PHE H H 190 8.424 8.424 7.867 0.557 18186 1215 1 6 . 1 1 43 43 GLU N N 191 119.788 119.788 121.484 -1.696 18186 1216 1 6 . 1 1 43 43 GLU HA H 191 4.003 4.003 4.056 -0.053 18186 1217 1 6 . 1 1 43 43 GLU C C 191 176.533 176.533 175.974 0.559 18186 1218 1 6 . 1 1 43 43 GLU CA C 191 57.986 57.986 58.181 -0.195 18186 1219 1 6 . 1 1 43 43 GLU CB C 191 27.992 27.992 27.282 0.711 18186 1220 1 6 . 1 1 43 43 GLU H H 191 7.813 7.813 8.036 -0.223 18186 1221 1 6 . 1 1 44 44 ASN N N 192 111.889 111.889 117.526 -5.637 18186 1222 1 6 . 1 1 44 44 ASN HA H 192 4.257 4.257 4.749 -0.492 18186 1223 1 6 . 1 1 44 44 ASN C C 192 174.399 174.399 174.131 0.268 18186 1224 1 6 . 1 1 44 44 ASN CA C 192 54.532 54.532 54.178 0.354 18186 1225 1 6 . 1 1 44 44 ASN CB C 192 37.989 37.989 40.304 -2.315 18186 1226 1 6 . 1 1 44 44 ASN H H 192 9.162 9.162 8.715 0.447 18186 1227 1 6 . 1 1 45 45 ASP N N 193 118.609 118.609 123.150 -4.541 18186 1228 1 6 . 1 1 45 45 ASP HA H 193 4.773 4.773 4.980 -0.207 18186 1229 1 6 . 1 1 45 45 ASP C C 193 175.994 175.994 176.433 -0.439 18186 1230 1 6 . 1 1 45 45 ASP CA C 193 53.393 53.393 53.144 0.249 18186 1231 1 6 . 1 1 45 45 ASP CB C 193 40.525 40.525 40.251 0.274 18186 1232 1 6 . 1 1 45 45 ASP H H 193 7.571 7.571 8.235 -0.664 18186 1233 1 6 . 1 1 46 46 GLN N N 194 124.969 124.969 122.240 2.729 18186 1234 1 6 . 1 1 46 46 GLN HA H 194 3.947 3.947 4.011 -0.064 18186 1235 1 6 . 1 1 46 46 GLN C C 194 178.265 178.265 177.591 0.674 18186 1236 1 6 . 1 1 46 46 GLN CA C 194 58.622 58.622 58.717 -0.095 18186 1237 1 6 . 1 1 46 46 GLN CB C 194 28.410 28.410 28.454 -0.044 18186 1238 1 6 . 1 1 46 46 GLN H H 194 8.483 8.483 8.141 0.342 18186 1239 1 6 . 1 1 47 47 ALA N N 195 122.283 122.283 120.985 1.298 18186 1240 1 6 . 1 1 47 47 ALA HA H 195 4.118 4.118 3.902 0.216 18186 1241 1 6 . 1 1 47 47 ALA C C 195 180.158 180.158 178.643 1.515 18186 1242 1 6 . 1 1 47 47 ALA CA C 195 55.047 55.047 54.827 0.220 18186 1243 1 6 . 1 1 47 47 ALA CB C 195 17.990 17.990 17.942 0.048 18186 1244 1 6 . 1 1 47 47 ALA H H 195 8.259 8.259 8.654 -0.395 18186 1245 1 6 . 1 1 48 48 ALA N N 196 122.453 122.453 121.022 1.431 18186 1246 1 6 . 1 1 48 48 ALA HA H 196 3.885 3.885 3.907 -0.022 18186 1247 1 6 . 1 1 48 48 ALA C C 196 179.094 179.094 179.268 -0.174 18186 1248 1 6 . 1 1 48 48 ALA CA C 196 54.761 54.761 54.314 0.447 18186 1249 1 6 . 1 1 48 48 ALA CB C 196 18.090 18.090 17.722 0.368 18186 1250 1 6 . 1 1 48 48 ALA H H 196 7.576 7.576 7.302 0.274 18186 1251 1 6 . 1 1 49 49 VAL N N 197 115.834 115.834 119.204 -3.370 18186 1252 1 6 . 1 1 49 49 VAL HA H 197 3.262 3.262 3.484 -0.222 18186 1253 1 6 . 1 1 49 49 VAL C C 197 177.538 177.538 178.044 -0.506 18186 1254 1 6 . 1 1 49 49 VAL CA C 197 67.330 67.330 67.439 -0.109 18186 1255 1 6 . 1 1 49 49 VAL CB C 197 32.065 32.065 31.286 0.779 18186 1256 1 6 . 1 1 49 49 VAL H H 197 7.635 7.635 7.653 -0.018 18186 1257 1 6 . 1 1 50 50 ARG N N 198 117.335 117.335 118.852 -1.517 18186 1258 1 6 . 1 1 50 50 ARG HA H 198 3.966 3.966 3.889 0.077 18186 1259 1 6 . 1 1 50 50 ARG C C 198 178.504 178.504 178.972 -0.468 18186 1260 1 6 . 1 1 50 50 ARG CA C 198 59.205 59.205 60.136 -0.931 18186 1261 1 6 . 1 1 50 50 ARG CB C 198 29.917 29.917 29.917 0.000 18186 1262 1 6 . 1 1 50 50 ARG H H 198 8.022 8.022 8.160 -0.138 18186 1263 1 6 . 1 1 51 51 GLN N N 199 117.513 117.513 117.820 -0.307 18186 1264 1 6 . 1 1 51 51 GLN HA H 199 4.079 4.079 4.003 0.076 18186 1265 1 6 . 1 1 51 51 GLN C C 199 179.594 179.594 178.723 0.871 18186 1266 1 6 . 1 1 51 51 GLN CA C 199 59.209 59.209 58.960 0.249 18186 1267 1 6 . 1 1 51 51 GLN CB C 199 29.186 29.186 28.754 0.432 18186 1268 1 6 . 1 1 51 51 GLN H H 199 7.849 7.849 7.837 0.012 18186 1269 1 6 . 1 1 52 52 VAL N N 200 120.041 120.041 117.595 2.446 18186 1270 1 6 . 1 1 52 52 VAL HA H 200 3.984 3.984 3.842 0.142 18186 1271 1 6 . 1 1 52 52 VAL C C 200 177.885 177.885 177.768 0.117 18186 1272 1 6 . 1 1 52 52 VAL CA C 200 67.197 67.197 65.953 1.244 18186 1273 1 6 . 1 1 52 52 VAL CB C 200 31.849 31.849 31.413 0.436 18186 1274 1 6 . 1 1 52 52 VAL H H 200 8.189 8.189 8.230 -0.041 18186 1275 1 6 . 1 1 53 53 MET N N 201 118.360 118.360 119.577 -1.217 18186 1276 1 6 . 1 1 53 53 MET HA H 201 4.384 4.384 4.297 0.087 18186 1277 1 6 . 1 1 53 53 MET C C 201 178.909 178.909 178.951 -0.042 18186 1278 1 6 . 1 1 53 53 MET CA C 201 56.727 56.727 57.732 -1.005 18186 1279 1 6 . 1 1 53 53 MET CB C 201 30.041 30.041 31.181 -1.140 18186 1280 1 6 . 1 1 53 53 MET H H 201 8.824 8.824 8.199 0.625 18186 1281 1 6 . 1 1 54 54 GLU N N 202 117.888 117.888 118.793 -0.905 18186 1282 1 6 . 1 1 54 54 GLU HA H 202 3.971 3.971 3.987 -0.016 18186 1283 1 6 . 1 1 54 54 GLU C C 202 179.317 179.317 179.023 0.294 18186 1284 1 6 . 1 1 54 54 GLU CA C 202 59.753 59.753 58.973 0.780 18186 1285 1 6 . 1 1 54 54 GLU CB C 202 29.433 29.433 29.331 0.102 18186 1286 1 6 . 1 1 54 54 GLU H H 202 8.610 8.610 8.368 0.242 18186 1287 1 6 . 1 1 55 55 ARG N N 203 120.547 120.547 121.159 -0.612 18186 1288 1 6 . 1 1 55 55 ARG HA H 203 4.137 4.137 4.182 -0.045 18186 1289 1 6 . 1 1 55 55 ARG C C 203 178.586 178.586 178.726 -0.140 18186 1290 1 6 . 1 1 55 55 ARG CA C 203 59.981 59.981 59.077 0.904 18186 1291 1 6 . 1 1 55 55 ARG CB C 203 29.915 29.915 30.239 -0.324 18186 1292 1 6 . 1 1 55 55 ARG H H 203 7.585 7.585 7.765 -0.180 18186 1293 1 6 . 1 1 56 56 LEU N N 204 119.246 119.246 120.542 -1.296 18186 1294 1 6 . 1 1 56 56 LEU HA H 204 4.741 4.741 4.100 0.641 18186 1295 1 6 . 1 1 56 56 LEU C C 204 180.650 180.650 179.258 1.392 18186 1296 1 6 . 1 1 56 56 LEU CA C 204 58.247 58.247 58.109 0.138 18186 1297 1 6 . 1 1 56 56 LEU CB C 204 43.834 43.834 41.971 1.863 18186 1298 1 6 . 1 1 56 56 LEU H H 204 9.150 9.150 8.476 0.674 18186 1299 1 6 . 1 1 57 57 GLN N N 205 117.821 117.821 118.025 -0.204 18186 1300 1 6 . 1 1 57 57 GLN HA H 205 3.836 3.836 3.496 0.340 18186 1301 1 6 . 1 1 57 57 GLN C C 205 179.341 179.341 178.254 1.087 18186 1302 1 6 . 1 1 57 57 GLN CA C 205 59.618 59.618 58.985 0.633 18186 1303 1 6 . 1 1 57 57 GLN CB C 205 28.153 28.153 28.013 0.140 18186 1304 1 6 . 1 1 57 57 GLN H H 205 8.529 8.529 8.183 0.346 18186 1305 1 6 . 1 1 58 58 LYS N N 206 122.702 122.702 120.857 1.845 18186 1306 1 6 . 1 1 58 58 LYS HA H 206 4.176 4.176 3.990 0.186 18186 1307 1 6 . 1 1 58 58 LYS C C 206 180.260 180.260 179.165 1.095 18186 1308 1 6 . 1 1 58 58 LYS CA C 206 59.400 59.400 59.321 0.079 18186 1309 1 6 . 1 1 58 58 LYS CB C 206 32.555 32.555 32.274 0.281 18186 1310 1 6 . 1 1 58 58 LYS H H 206 8.449 8.449 7.976 0.473 18186 1311 1 6 . 1 1 59 59 GLY N N 207 108.195 108.195 106.849 1.346 18186 1312 1 6 . 1 1 59 59 GLY C C 207 175.772 175.772 175.683 0.089 18186 1313 1 6 . 1 1 59 59 GLY CA C 207 48.776 48.776 46.884 1.892 18186 1314 1 6 . 1 1 59 59 GLY H H 207 8.980 8.980 8.328 0.652 18186 1315 1 6 . 1 1 60 60 TRP N N 208 122.252 122.252 122.895 -0.643 18186 1316 1 6 . 1 1 60 60 TRP HA H 208 4.317 4.317 4.438 -0.120 18186 1317 1 6 . 1 1 60 60 TRP C C 208 178.892 178.892 176.365 2.527 18186 1318 1 6 . 1 1 60 60 TRP CA C 208 61.295 61.295 60.562 0.733 18186 1319 1 6 . 1 1 60 60 TRP CB C 208 30.038 30.038 29.795 0.243 18186 1320 1 6 . 1 1 60 60 TRP H H 208 8.539 8.539 8.345 0.194 18186 1321 1 6 . 1 1 61 61 SER N N 209 111.947 111.947 112.611 -0.664 18186 1322 1 6 . 1 1 61 61 SER HA H 209 4.350 4.350 4.333 0.017 18186 1323 1 6 . 1 1 61 61 SER C C 209 175.979 175.979 176.668 -0.689 18186 1324 1 6 . 1 1 61 61 SER CA C 209 61.244 61.244 61.153 0.091 18186 1325 1 6 . 1 1 61 61 SER CB C 209 63.501 63.501 63.240 0.261 18186 1326 1 6 . 1 1 61 61 SER H H 209 7.506 7.506 7.844 -0.338 18186 1327 1 6 . 1 1 62 62 LEU N N 210 121.081 121.081 121.352 -0.271 18186 1328 1 6 . 1 1 62 62 LEU HA H 210 4.265 4.265 4.258 0.007 18186 1329 1 6 . 1 1 62 62 LEU C C 210 177.971 177.971 177.997 -0.026 18186 1330 1 6 . 1 1 62 62 LEU CA C 210 56.547 56.547 56.544 0.003 18186 1331 1 6 . 1 1 62 62 LEU CB C 210 43.115 43.115 42.096 1.019 18186 1332 1 6 . 1 1 62 62 LEU H H 210 7.847 7.847 7.867 -0.020 18186 1333 1 6 . 1 1 63 63 ALA N N 211 121.059 121.059 119.423 1.636 18186 1334 1 6 . 1 1 63 63 ALA HA H 211 4.235 4.235 4.296 -0.061 18186 1335 1 6 . 1 1 63 63 ALA C C 211 174.771 174.771 176.234 -1.463 18186 1336 1 6 . 1 1 63 63 ALA CA C 211 51.860 51.860 51.714 0.146 18186 1337 1 6 . 1 1 63 63 ALA CB C 211 19.824 19.824 18.654 1.170 18186 1338 1 6 . 1 1 63 63 ALA H H 211 7.805 7.805 7.986 -0.181 18186 1339 1 7 . 1 1 26 26 GLU N N 174 123.201 123.201 121.474 1.727 18186 1340 1 7 . 1 1 26 26 GLU HA H 174 4.422 4.422 4.652 -0.230 18186 1341 1 7 . 1 1 26 26 GLU C C 174 176.498 176.498 176.103 0.395 18186 1342 1 7 . 1 1 26 26 GLU CA C 174 55.987 55.987 56.180 -0.193 18186 1343 1 7 . 1 1 26 26 GLU CB C 174 30.674 30.674 30.388 0.286 18186 1344 1 7 . 1 1 26 26 GLU H H 174 8.463 8.463 8.611 -0.148 18186 1345 1 7 . 1 1 27 27 LEU N N 175 125.204 125.204 121.837 3.367 18186 1346 1 7 . 1 1 27 27 LEU HA H 175 4.464 4.464 4.339 0.125 18186 1347 1 7 . 1 1 27 27 LEU C C 175 176.514 176.514 176.380 0.134 18186 1348 1 7 . 1 1 27 27 LEU CA C 175 55.039 55.039 54.538 0.501 18186 1349 1 7 . 1 1 27 27 LEU CB C 175 42.868 42.868 42.702 0.166 18186 1350 1 7 . 1 1 27 27 LEU H H 175 8.479 8.479 7.718 0.761 18186 1351 1 7 . 1 1 28 28 THR N N 176 117.260 117.260 116.577 0.683 18186 1352 1 7 . 1 1 28 28 THR HA H 176 4.430 4.430 4.631 -0.201 18186 1353 1 7 . 1 1 28 28 THR C C 176 173.007 173.007 173.264 -0.257 18186 1354 1 7 . 1 1 28 28 THR CA C 176 61.148 61.148 61.744 -0.596 18186 1355 1 7 . 1 1 28 28 THR CB C 176 70.400 70.400 69.676 0.724 18186 1356 1 7 . 1 1 28 28 THR H H 176 8.363 8.363 8.136 0.227 18186 1357 1 7 . 1 1 29 29 VAL N N 177 124.841 124.841 124.287 0.554 18186 1358 1 7 . 1 1 29 29 VAL HA H 177 3.604 3.604 4.005 -0.401 18186 1359 1 7 . 1 1 29 29 VAL CA C 177 59.318 59.318 57.900 1.418 18186 1360 1 7 . 1 1 29 29 VAL CB C 177 33.054 33.054 32.121 0.933 18186 1361 1 7 . 1 1 29 29 VAL H H 177 7.950 7.950 8.011 -0.061 18186 1362 1 7 . 1 1 30 30 PRO HA H 178 4.797 4.797 4.399 0.399 18186 1363 1 7 . 1 1 30 30 PRO C C 178 175.813 175.813 176.422 -0.609 18186 1364 1 7 . 1 1 30 30 PRO CA C 178 60.737 60.737 62.712 -1.975 18186 1365 1 7 . 1 1 30 30 PRO CB C 178 28.074 28.074 30.321 -2.247 18186 1366 1 7 . 1 1 31 31 TRP N N 179 125.415 125.415 124.869 0.546 18186 1367 1 7 . 1 1 31 31 TRP HA H 179 4.179 4.179 4.208 -0.029 18186 1368 1 7 . 1 1 31 31 TRP C C 179 177.545 177.545 177.880 -0.335 18186 1369 1 7 . 1 1 31 31 TRP CA C 179 60.702 60.702 60.508 0.194 18186 1370 1 7 . 1 1 31 31 TRP CB C 179 30.098 30.098 29.301 0.797 18186 1371 1 7 . 1 1 31 31 TRP H H 179 7.898 7.898 7.815 0.083 18186 1372 1 7 . 1 1 32 32 ASP N N 180 117.166 117.166 119.435 -2.269 18186 1373 1 7 . 1 1 32 32 ASP HA H 180 4.480 4.480 4.351 0.129 18186 1374 1 7 . 1 1 32 32 ASP C C 180 179.109 179.109 177.644 1.465 18186 1375 1 7 . 1 1 32 32 ASP CA C 180 57.553 57.553 58.003 -0.450 18186 1376 1 7 . 1 1 32 32 ASP CB C 180 39.449 39.449 40.332 -0.883 18186 1377 1 7 . 1 1 32 32 ASP H H 180 8.740 8.740 8.676 0.064 18186 1378 1 7 . 1 1 33 33 ASP N N 181 121.203 121.203 119.524 1.679 18186 1379 1 7 . 1 1 33 33 ASP HA H 181 4.493 4.493 4.418 0.075 18186 1380 1 7 . 1 1 33 33 ASP C C 181 179.288 179.288 178.599 0.689 18186 1381 1 7 . 1 1 33 33 ASP CA C 181 57.069 57.069 57.428 -0.359 18186 1382 1 7 . 1 1 33 33 ASP CB C 181 40.808 40.808 40.589 0.219 18186 1383 1 7 . 1 1 33 33 ASP H H 181 7.713 7.713 8.439 -0.726 18186 1384 1 7 . 1 1 34 34 ILE N N 182 122.718 122.718 120.540 2.178 18186 1385 1 7 . 1 1 34 34 ILE HA H 182 3.479 3.479 3.621 -0.142 18186 1386 1 7 . 1 1 34 34 ILE C C 182 176.679 176.679 177.491 -0.812 18186 1387 1 7 . 1 1 34 34 ILE CA C 182 65.867 65.867 65.429 0.438 18186 1388 1 7 . 1 1 34 34 ILE CB C 182 37.745 37.745 38.042 -0.297 18186 1389 1 7 . 1 1 34 34 ILE H H 182 7.979 7.979 8.063 -0.084 18186 1390 1 7 . 1 1 35 35 GLU N N 183 122.734 122.734 120.326 2.408 18186 1391 1 7 . 1 1 35 35 GLU HA H 183 3.856 3.856 3.979 -0.123 18186 1392 1 7 . 1 1 35 35 GLU C C 183 178.061 178.061 178.850 -0.789 18186 1393 1 7 . 1 1 35 35 GLU CA C 183 61.190 61.190 59.763 1.427 18186 1394 1 7 . 1 1 35 35 GLU CB C 183 29.306 29.306 29.659 -0.353 18186 1395 1 7 . 1 1 35 35 GLU H H 183 8.938 8.938 8.397 0.541 18186 1396 1 7 . 1 1 36 36 ALA N N 184 119.761 119.761 121.834 -2.073 18186 1397 1 7 . 1 1 36 36 ALA HA H 184 4.022 4.022 4.095 -0.073 18186 1398 1 7 . 1 1 36 36 ALA C C 184 180.257 180.257 179.325 0.932 18186 1399 1 7 . 1 1 36 36 ALA CA C 184 55.378 55.378 55.133 0.245 18186 1400 1 7 . 1 1 36 36 ALA CB C 184 18.118 18.118 18.548 -0.430 18186 1401 1 7 . 1 1 36 36 ALA H H 184 7.675 7.675 7.889 -0.214 18186 1402 1 7 . 1 1 37 37 LEU N N 185 120.850 120.850 120.684 0.166 18186 1403 1 7 . 1 1 37 37 LEU HA H 185 4.168 4.168 4.159 0.009 18186 1404 1 7 . 1 1 37 37 LEU C C 185 179.866 179.866 178.745 1.121 18186 1405 1 7 . 1 1 37 37 LEU CA C 185 58.236 58.236 57.935 0.301 18186 1406 1 7 . 1 1 37 37 LEU CB C 185 41.824 41.824 42.044 -0.220 18186 1407 1 7 . 1 1 37 37 LEU H H 185 7.563 7.563 7.721 -0.158 18186 1408 1 7 . 1 1 38 38 LEU N N 186 120.391 120.391 118.972 1.419 18186 1409 1 7 . 1 1 38 38 LEU HA H 186 3.677 3.677 4.148 -0.471 18186 1410 1 7 . 1 1 38 38 LEU C C 186 178.449 178.449 179.396 -0.947 18186 1411 1 7 . 1 1 38 38 LEU CA C 186 57.844 57.844 57.603 0.241 18186 1412 1 7 . 1 1 38 38 LEU CB C 186 41.641 41.641 40.572 1.069 18186 1413 1 7 . 1 1 38 38 LEU H H 186 8.633 8.633 8.590 0.043 18186 1414 1 7 . 1 1 39 39 LYS N N 187 119.670 119.670 120.405 -0.735 18186 1415 1 7 . 1 1 39 39 LYS HA H 187 3.778 3.778 3.986 -0.208 18186 1416 1 7 . 1 1 39 39 LYS C C 187 178.295 178.295 178.082 0.213 18186 1417 1 7 . 1 1 39 39 LYS CA C 187 60.595 60.595 59.979 0.616 18186 1418 1 7 . 1 1 39 39 LYS CB C 187 32.354 32.354 32.465 -0.111 18186 1419 1 7 . 1 1 39 39 LYS H H 187 8.641 8.641 8.192 0.449 18186 1420 1 7 . 1 1 40 40 ASN N N 188 115.677 115.677 116.561 -0.884 18186 1421 1 7 . 1 1 40 40 ASN HA H 188 4.529 4.529 4.491 0.038 18186 1422 1 7 . 1 1 40 40 ASN C C 188 177.759 177.759 178.536 -0.777 18186 1423 1 7 . 1 1 40 40 ASN CA C 188 55.888 55.888 56.015 -0.127 18186 1424 1 7 . 1 1 40 40 ASN CB C 188 38.679 38.679 38.625 0.054 18186 1425 1 7 . 1 1 40 40 ASN H H 188 7.411 7.411 8.082 -0.671 18186 1426 1 7 . 1 1 41 41 ASN N N 189 119.819 119.819 117.687 2.132 18186 1427 1 7 . 1 1 41 41 ASN HA H 189 4.279 4.279 4.472 -0.193 18186 1428 1 7 . 1 1 41 41 ASN C C 189 176.175 176.175 175.873 0.302 18186 1429 1 7 . 1 1 41 41 ASN CA C 189 56.664 56.664 55.649 1.015 18186 1430 1 7 . 1 1 41 41 ASN CB C 189 39.680 39.680 38.567 1.113 18186 1431 1 7 . 1 1 41 41 ASN H H 189 8.367 8.367 8.290 0.077 18186 1432 1 7 . 1 1 42 42 PHE N N 190 115.910 115.910 117.193 -1.283 18186 1433 1 7 . 1 1 42 42 PHE HA H 190 4.960 4.960 4.813 0.147 18186 1434 1 7 . 1 1 42 42 PHE C C 190 175.606 175.606 175.278 0.328 18186 1435 1 7 . 1 1 42 42 PHE CA C 190 55.918 55.918 56.194 -0.276 18186 1436 1 7 . 1 1 42 42 PHE CB C 190 37.143 37.143 38.896 -1.753 18186 1437 1 7 . 1 1 42 42 PHE H H 190 8.424 8.424 7.937 0.487 18186 1438 1 7 . 1 1 43 43 GLU N N 191 119.788 119.788 122.476 -2.688 18186 1439 1 7 . 1 1 43 43 GLU HA H 191 4.003 4.003 4.134 -0.131 18186 1440 1 7 . 1 1 43 43 GLU C C 191 176.533 176.533 176.160 0.373 18186 1441 1 7 . 1 1 43 43 GLU CA C 191 57.986 57.986 57.774 0.212 18186 1442 1 7 . 1 1 43 43 GLU CB C 191 27.992 27.992 27.757 0.235 18186 1443 1 7 . 1 1 43 43 GLU H H 191 7.813 7.813 7.900 -0.087 18186 1444 1 7 . 1 1 44 44 ASN N N 192 111.889 111.889 118.095 -6.206 18186 1445 1 7 . 1 1 44 44 ASN HA H 192 4.257 4.257 4.749 -0.492 18186 1446 1 7 . 1 1 44 44 ASN C C 192 174.399 174.399 173.562 0.837 18186 1447 1 7 . 1 1 44 44 ASN CA C 192 54.532 54.532 53.786 0.746 18186 1448 1 7 . 1 1 44 44 ASN CB C 192 37.989 37.989 39.845 -1.856 18186 1449 1 7 . 1 1 44 44 ASN H H 192 9.162 9.162 8.226 0.936 18186 1450 1 7 . 1 1 45 45 ASP N N 193 118.609 118.609 119.916 -1.307 18186 1451 1 7 . 1 1 45 45 ASP HA H 193 4.773 4.773 4.565 0.208 18186 1452 1 7 . 1 1 45 45 ASP C C 193 175.994 175.994 175.498 0.496 18186 1453 1 7 . 1 1 45 45 ASP CA C 193 53.393 53.393 54.898 -1.505 18186 1454 1 7 . 1 1 45 45 ASP CB C 193 40.525 40.525 40.999 -0.474 18186 1455 1 7 . 1 1 45 45 ASP H H 193 7.571 7.571 8.065 -0.494 18186 1456 1 7 . 1 1 46 46 GLN N N 194 124.969 124.969 119.458 5.511 18186 1457 1 7 . 1 1 46 46 GLN HA H 194 3.947 3.947 4.141 -0.194 18186 1458 1 7 . 1 1 46 46 GLN C C 194 178.265 178.265 177.712 0.553 18186 1459 1 7 . 1 1 46 46 GLN CA C 194 58.622 58.622 58.282 0.340 18186 1460 1 7 . 1 1 46 46 GLN CB C 194 28.410 28.410 28.661 -0.251 18186 1461 1 7 . 1 1 46 46 GLN H H 194 8.483 8.483 8.625 -0.142 18186 1462 1 7 . 1 1 47 47 ALA N N 195 122.283 122.283 120.537 1.746 18186 1463 1 7 . 1 1 47 47 ALA HA H 195 4.118 4.118 4.005 0.113 18186 1464 1 7 . 1 1 47 47 ALA C C 195 180.158 180.158 178.584 1.574 18186 1465 1 7 . 1 1 47 47 ALA CA C 195 55.047 55.047 54.544 0.503 18186 1466 1 7 . 1 1 47 47 ALA CB C 195 17.990 17.990 18.031 -0.041 18186 1467 1 7 . 1 1 47 47 ALA H H 195 8.259 8.259 8.520 -0.261 18186 1468 1 7 . 1 1 48 48 ALA N N 196 122.453 122.453 121.710 0.743 18186 1469 1 7 . 1 1 48 48 ALA HA H 196 3.885 3.885 3.935 -0.050 18186 1470 1 7 . 1 1 48 48 ALA C C 196 179.094 179.094 179.118 -0.024 18186 1471 1 7 . 1 1 48 48 ALA CA C 196 54.761 54.761 54.303 0.458 18186 1472 1 7 . 1 1 48 48 ALA CB C 196 18.090 18.090 17.741 0.349 18186 1473 1 7 . 1 1 48 48 ALA H H 196 7.576 7.576 7.470 0.106 18186 1474 1 7 . 1 1 49 49 VAL N N 197 115.834 115.834 119.212 -3.378 18186 1475 1 7 . 1 1 49 49 VAL HA H 197 3.262 3.262 3.457 -0.195 18186 1476 1 7 . 1 1 49 49 VAL C C 197 177.538 177.538 178.191 -0.653 18186 1477 1 7 . 1 1 49 49 VAL CA C 197 67.330 67.330 66.949 0.381 18186 1478 1 7 . 1 1 49 49 VAL CB C 197 32.065 32.065 31.188 0.877 18186 1479 1 7 . 1 1 49 49 VAL H H 197 7.635 7.635 7.655 -0.020 18186 1480 1 7 . 1 1 50 50 ARG N N 198 117.335 117.335 118.440 -1.105 18186 1481 1 7 . 1 1 50 50 ARG HA H 198 3.966 3.966 3.849 0.117 18186 1482 1 7 . 1 1 50 50 ARG C C 198 178.504 178.504 178.846 -0.342 18186 1483 1 7 . 1 1 50 50 ARG CA C 198 59.205 59.205 60.162 -0.957 18186 1484 1 7 . 1 1 50 50 ARG CB C 198 29.917 29.917 29.880 0.037 18186 1485 1 7 . 1 1 50 50 ARG H H 198 8.022 8.022 7.797 0.225 18186 1486 1 7 . 1 1 51 51 GLN N N 199 117.513 117.513 117.854 -0.341 18186 1487 1 7 . 1 1 51 51 GLN HA H 199 4.079 4.079 3.995 0.084 18186 1488 1 7 . 1 1 51 51 GLN C C 199 179.594 179.594 178.786 0.808 18186 1489 1 7 . 1 1 51 51 GLN CA C 199 59.209 59.209 58.889 0.320 18186 1490 1 7 . 1 1 51 51 GLN CB C 199 29.186 29.186 28.873 0.313 18186 1491 1 7 . 1 1 51 51 GLN H H 199 7.849 7.849 7.762 0.087 18186 1492 1 7 . 1 1 52 52 VAL N N 200 120.041 120.041 116.173 3.868 18186 1493 1 7 . 1 1 52 52 VAL HA H 200 3.984 3.984 3.775 0.209 18186 1494 1 7 . 1 1 52 52 VAL C C 200 177.885 177.885 177.824 0.061 18186 1495 1 7 . 1 1 52 52 VAL CA C 200 67.197 67.197 65.573 1.624 18186 1496 1 7 . 1 1 52 52 VAL CB C 200 31.849 31.849 31.745 0.104 18186 1497 1 7 . 1 1 52 52 VAL H H 200 8.189 8.189 8.365 -0.176 18186 1498 1 7 . 1 1 53 53 MET N N 201 118.360 118.360 121.171 -2.811 18186 1499 1 7 . 1 1 53 53 MET HA H 201 4.384 4.384 4.285 0.099 18186 1500 1 7 . 1 1 53 53 MET C C 201 178.909 178.909 177.940 0.969 18186 1501 1 7 . 1 1 53 53 MET CA C 201 56.727 56.727 58.114 -1.387 18186 1502 1 7 . 1 1 53 53 MET CB C 201 30.041 30.041 32.376 -2.335 18186 1503 1 7 . 1 1 53 53 MET H H 201 8.824 8.824 8.249 0.575 18186 1504 1 7 . 1 1 54 54 GLU N N 202 117.888 117.888 118.974 -1.086 18186 1505 1 7 . 1 1 54 54 GLU HA H 202 3.971 3.971 4.231 -0.260 18186 1506 1 7 . 1 1 54 54 GLU C C 202 179.317 179.317 179.219 0.098 18186 1507 1 7 . 1 1 54 54 GLU CA C 202 59.753 59.753 58.702 1.051 18186 1508 1 7 . 1 1 54 54 GLU CB C 202 29.433 29.433 29.260 0.173 18186 1509 1 7 . 1 1 54 54 GLU H H 202 8.610 8.610 8.302 0.308 18186 1510 1 7 . 1 1 55 55 ARG N N 203 120.547 120.547 121.002 -0.455 18186 1511 1 7 . 1 1 55 55 ARG HA H 203 4.137 4.137 4.195 -0.058 18186 1512 1 7 . 1 1 55 55 ARG C C 203 178.586 178.586 178.662 -0.076 18186 1513 1 7 . 1 1 55 55 ARG CA C 203 59.981 59.981 59.014 0.967 18186 1514 1 7 . 1 1 55 55 ARG CB C 203 29.915 29.915 30.206 -0.291 18186 1515 1 7 . 1 1 55 55 ARG H H 203 7.585 7.585 7.673 -0.088 18186 1516 1 7 . 1 1 56 56 LEU N N 204 119.246 119.246 120.794 -1.548 18186 1517 1 7 . 1 1 56 56 LEU HA H 204 4.741 4.741 4.080 0.661 18186 1518 1 7 . 1 1 56 56 LEU C C 204 180.650 180.650 179.215 1.435 18186 1519 1 7 . 1 1 56 56 LEU CA C 204 58.247 58.247 58.089 0.159 18186 1520 1 7 . 1 1 56 56 LEU CB C 204 43.834 43.834 41.925 1.909 18186 1521 1 7 . 1 1 56 56 LEU H H 204 9.150 9.150 8.377 0.773 18186 1522 1 7 . 1 1 57 57 GLN N N 205 117.821 117.821 117.859 -0.038 18186 1523 1 7 . 1 1 57 57 GLN HA H 205 3.836 3.836 3.508 0.328 18186 1524 1 7 . 1 1 57 57 GLN C C 205 179.341 179.341 178.063 1.278 18186 1525 1 7 . 1 1 57 57 GLN CA C 205 59.618 59.618 59.135 0.483 18186 1526 1 7 . 1 1 57 57 GLN CB C 205 28.153 28.153 28.195 -0.042 18186 1527 1 7 . 1 1 57 57 GLN H H 205 8.529 8.529 8.389 0.140 18186 1528 1 7 . 1 1 58 58 LYS N N 206 122.702 122.702 120.409 2.293 18186 1529 1 7 . 1 1 58 58 LYS HA H 206 4.176 4.176 3.955 0.221 18186 1530 1 7 . 1 1 58 58 LYS C C 206 180.260 180.260 179.188 1.072 18186 1531 1 7 . 1 1 58 58 LYS CA C 206 59.400 59.400 59.281 0.119 18186 1532 1 7 . 1 1 58 58 LYS CB C 206 32.555 32.555 32.273 0.283 18186 1533 1 7 . 1 1 58 58 LYS H H 206 8.449 8.449 7.971 0.478 18186 1534 1 7 . 1 1 59 59 GLY N N 207 108.195 108.195 106.832 1.363 18186 1535 1 7 . 1 1 59 59 GLY C C 207 175.772 175.772 175.655 0.117 18186 1536 1 7 . 1 1 59 59 GLY CA C 207 48.776 48.776 46.865 1.911 18186 1537 1 7 . 1 1 59 59 GLY H H 207 8.980 8.980 8.355 0.624 18186 1538 1 7 . 1 1 60 60 TRP N N 208 122.252 122.252 122.969 -0.717 18186 1539 1 7 . 1 1 60 60 TRP HA H 208 4.317 4.317 4.446 -0.129 18186 1540 1 7 . 1 1 60 60 TRP C C 208 178.892 178.892 176.627 2.265 18186 1541 1 7 . 1 1 60 60 TRP CA C 208 61.295 61.295 60.523 0.772 18186 1542 1 7 . 1 1 60 60 TRP CB C 208 30.038 30.038 29.623 0.415 18186 1543 1 7 . 1 1 60 60 TRP H H 208 8.539 8.539 8.307 0.232 18186 1544 1 7 . 1 1 61 61 SER N N 209 111.947 111.947 112.945 -0.998 18186 1545 1 7 . 1 1 61 61 SER HA H 209 4.350 4.350 4.333 0.017 18186 1546 1 7 . 1 1 61 61 SER C C 209 175.979 175.979 176.984 -1.005 18186 1547 1 7 . 1 1 61 61 SER CA C 209 61.244 61.244 60.766 0.478 18186 1548 1 7 . 1 1 61 61 SER CB C 209 63.501 63.501 63.340 0.161 18186 1549 1 7 . 1 1 61 61 SER H H 209 7.506 7.506 7.731 -0.225 18186 1550 1 7 . 1 1 62 62 LEU N N 210 121.081 121.081 120.630 0.451 18186 1551 1 7 . 1 1 62 62 LEU HA H 210 4.265 4.265 4.218 0.047 18186 1552 1 7 . 1 1 62 62 LEU C C 210 177.971 177.971 177.782 0.189 18186 1553 1 7 . 1 1 62 62 LEU CA C 210 56.547 56.547 56.214 0.334 18186 1554 1 7 . 1 1 62 62 LEU CB C 210 43.115 43.115 42.292 0.823 18186 1555 1 7 . 1 1 62 62 LEU H H 210 7.847 7.847 7.609 0.238 18186 1556 1 7 . 1 1 63 63 ALA N N 211 121.059 121.059 119.492 1.567 18186 1557 1 7 . 1 1 63 63 ALA HA H 211 4.235 4.235 4.296 -0.061 18186 1558 1 7 . 1 1 63 63 ALA C C 211 174.771 174.771 176.788 -2.017 18186 1559 1 7 . 1 1 63 63 ALA CA C 211 51.860 51.860 51.550 0.310 18186 1560 1 7 . 1 1 63 63 ALA CB C 211 19.824 19.824 18.396 1.428 18186 1561 1 7 . 1 1 63 63 ALA H H 211 7.805 7.805 7.980 -0.175 18186 1562 1 8 . 1 1 26 26 GLU N N 174 123.201 123.201 119.029 4.172 18186 1563 1 8 . 1 1 26 26 GLU HA H 174 4.422 4.422 4.476 -0.054 18186 1564 1 8 . 1 1 26 26 GLU C C 174 176.498 176.498 175.385 1.113 18186 1565 1 8 . 1 1 26 26 GLU CA C 174 55.987 55.987 56.566 -0.579 18186 1566 1 8 . 1 1 26 26 GLU CB C 174 30.674 30.674 29.561 1.113 18186 1567 1 8 . 1 1 26 26 GLU H H 174 8.463 8.463 8.550 -0.087 18186 1568 1 8 . 1 1 27 27 LEU N N 175 125.204 125.204 122.372 2.832 18186 1569 1 8 . 1 1 27 27 LEU HA H 175 4.464 4.464 4.503 -0.039 18186 1570 1 8 . 1 1 27 27 LEU C C 175 176.514 176.514 176.813 -0.299 18186 1571 1 8 . 1 1 27 27 LEU CA C 175 55.039 55.039 54.981 0.058 18186 1572 1 8 . 1 1 27 27 LEU CB C 175 42.868 42.868 42.633 0.235 18186 1573 1 8 . 1 1 27 27 LEU H H 175 8.479 8.479 8.137 0.342 18186 1574 1 8 . 1 1 28 28 THR N N 176 117.260 117.260 118.391 -1.131 18186 1575 1 8 . 1 1 28 28 THR HA H 176 4.430 4.430 4.475 -0.045 18186 1576 1 8 . 1 1 28 28 THR C C 176 173.007 173.007 173.089 -0.082 18186 1577 1 8 . 1 1 28 28 THR CA C 176 61.148 61.148 62.088 -0.940 18186 1578 1 8 . 1 1 28 28 THR CB C 176 70.400 70.400 69.531 0.869 18186 1579 1 8 . 1 1 28 28 THR H H 176 8.363 8.363 8.269 0.094 18186 1580 1 8 . 1 1 29 29 VAL N N 177 124.841 124.841 126.324 -1.483 18186 1581 1 8 . 1 1 29 29 VAL HA H 177 3.604 3.604 3.998 -0.394 18186 1582 1 8 . 1 1 29 29 VAL CA C 177 59.318 59.318 57.790 1.528 18186 1583 1 8 . 1 1 29 29 VAL CB C 177 33.054 33.054 32.069 0.985 18186 1584 1 8 . 1 1 29 29 VAL H H 177 7.950 7.950 8.027 -0.077 18186 1585 1 8 . 1 1 30 30 PRO HA H 178 4.797 4.797 4.435 0.362 18186 1586 1 8 . 1 1 30 30 PRO C C 178 175.813 175.813 176.487 -0.674 18186 1587 1 8 . 1 1 30 30 PRO CA C 178 60.737 60.737 62.585 -1.848 18186 1588 1 8 . 1 1 30 30 PRO CB C 178 28.074 28.074 30.317 -2.243 18186 1589 1 8 . 1 1 31 31 TRP N N 179 125.415 125.415 124.613 0.802 18186 1590 1 8 . 1 1 31 31 TRP HA H 179 4.179 4.179 4.204 -0.025 18186 1591 1 8 . 1 1 31 31 TRP C C 179 177.545 177.545 177.800 -0.255 18186 1592 1 8 . 1 1 31 31 TRP CA C 179 60.702 60.702 60.531 0.171 18186 1593 1 8 . 1 1 31 31 TRP CB C 179 30.098 30.098 29.228 0.870 18186 1594 1 8 . 1 1 31 31 TRP H H 179 7.898 7.898 7.823 0.075 18186 1595 1 8 . 1 1 32 32 ASP N N 180 117.166 117.166 119.698 -2.532 18186 1596 1 8 . 1 1 32 32 ASP HA H 180 4.480 4.480 4.405 0.075 18186 1597 1 8 . 1 1 32 32 ASP C C 180 179.109 179.109 177.622 1.487 18186 1598 1 8 . 1 1 32 32 ASP CA C 180 57.553 57.553 57.829 -0.276 18186 1599 1 8 . 1 1 32 32 ASP CB C 180 39.449 39.449 40.392 -0.943 18186 1600 1 8 . 1 1 32 32 ASP H H 180 8.740 8.740 8.633 0.107 18186 1601 1 8 . 1 1 33 33 ASP N N 181 121.203 121.203 119.806 1.397 18186 1602 1 8 . 1 1 33 33 ASP HA H 181 4.493 4.493 4.414 0.079 18186 1603 1 8 . 1 1 33 33 ASP C C 181 179.288 179.288 178.561 0.727 18186 1604 1 8 . 1 1 33 33 ASP CA C 181 57.069 57.069 57.480 -0.411 18186 1605 1 8 . 1 1 33 33 ASP CB C 181 40.808 40.808 40.573 0.235 18186 1606 1 8 . 1 1 33 33 ASP H H 181 7.713 7.713 8.419 -0.706 18186 1607 1 8 . 1 1 34 34 ILE N N 182 122.718 122.718 120.179 2.539 18186 1608 1 8 . 1 1 34 34 ILE HA H 182 3.479 3.479 3.637 -0.158 18186 1609 1 8 . 1 1 34 34 ILE C C 182 176.679 176.679 177.465 -0.786 18186 1610 1 8 . 1 1 34 34 ILE CA C 182 65.867 65.867 65.350 0.517 18186 1611 1 8 . 1 1 34 34 ILE CB C 182 37.745 37.745 37.957 -0.212 18186 1612 1 8 . 1 1 34 34 ILE H H 182 7.979 7.979 8.249 -0.270 18186 1613 1 8 . 1 1 35 35 GLU N N 183 122.734 122.734 120.648 2.086 18186 1614 1 8 . 1 1 35 35 GLU HA H 183 3.856 3.856 3.992 -0.136 18186 1615 1 8 . 1 1 35 35 GLU C C 183 178.061 178.061 178.853 -0.792 18186 1616 1 8 . 1 1 35 35 GLU CA C 183 61.190 61.190 59.759 1.431 18186 1617 1 8 . 1 1 35 35 GLU CB C 183 29.306 29.306 29.586 -0.280 18186 1618 1 8 . 1 1 35 35 GLU H H 183 8.938 8.938 8.197 0.741 18186 1619 1 8 . 1 1 36 36 ALA N N 184 119.761 119.761 121.878 -2.117 18186 1620 1 8 . 1 1 36 36 ALA HA H 184 4.022 4.022 4.159 -0.137 18186 1621 1 8 . 1 1 36 36 ALA C C 184 180.257 180.257 179.687 0.570 18186 1622 1 8 . 1 1 36 36 ALA CA C 184 55.378 55.378 54.906 0.472 18186 1623 1 8 . 1 1 36 36 ALA CB C 184 18.118 18.118 18.318 -0.200 18186 1624 1 8 . 1 1 36 36 ALA H H 184 7.675 7.675 7.928 -0.253 18186 1625 1 8 . 1 1 37 37 LEU N N 185 120.850 120.850 120.628 0.222 18186 1626 1 8 . 1 1 37 37 LEU HA H 185 4.168 4.168 4.167 0.001 18186 1627 1 8 . 1 1 37 37 LEU C C 185 179.866 179.866 178.740 1.126 18186 1628 1 8 . 1 1 37 37 LEU CA C 185 58.236 58.236 57.906 0.330 18186 1629 1 8 . 1 1 37 37 LEU CB C 185 41.824 41.824 42.051 -0.227 18186 1630 1 8 . 1 1 37 37 LEU H H 185 7.563 7.563 7.756 -0.193 18186 1631 1 8 . 1 1 38 38 LEU N N 186 120.391 120.391 118.824 1.567 18186 1632 1 8 . 1 1 38 38 LEU HA H 186 3.677 3.677 4.161 -0.484 18186 1633 1 8 . 1 1 38 38 LEU C C 186 178.449 178.449 179.368 -0.919 18186 1634 1 8 . 1 1 38 38 LEU CA C 186 57.844 57.844 57.468 0.376 18186 1635 1 8 . 1 1 38 38 LEU CB C 186 41.641 41.641 40.588 1.053 18186 1636 1 8 . 1 1 38 38 LEU H H 186 8.633 8.633 8.649 -0.016 18186 1637 1 8 . 1 1 39 39 LYS N N 187 119.670 119.670 120.783 -1.113 18186 1638 1 8 . 1 1 39 39 LYS HA H 187 3.778 3.778 4.000 -0.222 18186 1639 1 8 . 1 1 39 39 LYS C C 187 178.295 178.295 178.339 -0.044 18186 1640 1 8 . 1 1 39 39 LYS CA C 187 60.595 60.595 59.864 0.731 18186 1641 1 8 . 1 1 39 39 LYS CB C 187 32.354 32.354 32.397 -0.042 18186 1642 1 8 . 1 1 39 39 LYS H H 187 8.641 8.641 8.163 0.478 18186 1643 1 8 . 1 1 40 40 ASN N N 188 115.677 115.677 116.557 -0.880 18186 1644 1 8 . 1 1 40 40 ASN HA H 188 4.529 4.529 4.517 0.012 18186 1645 1 8 . 1 1 40 40 ASN C C 188 177.759 177.759 178.355 -0.596 18186 1646 1 8 . 1 1 40 40 ASN CA C 188 55.888 55.888 56.137 -0.249 18186 1647 1 8 . 1 1 40 40 ASN CB C 188 38.679 38.679 38.402 0.277 18186 1648 1 8 . 1 1 40 40 ASN H H 188 7.411 7.411 8.110 -0.699 18186 1649 1 8 . 1 1 41 41 ASN N N 189 119.819 119.819 118.816 1.003 18186 1650 1 8 . 1 1 41 41 ASN HA H 189 4.279 4.279 4.443 -0.164 18186 1651 1 8 . 1 1 41 41 ASN C C 189 176.175 176.175 175.662 0.513 18186 1652 1 8 . 1 1 41 41 ASN CA C 189 56.664 56.664 55.754 0.910 18186 1653 1 8 . 1 1 41 41 ASN CB C 189 39.680 39.680 38.592 1.088 18186 1654 1 8 . 1 1 41 41 ASN H H 189 8.367 8.367 8.332 0.035 18186 1655 1 8 . 1 1 42 42 PHE N N 190 115.910 115.910 116.700 -0.790 18186 1656 1 8 . 1 1 42 42 PHE HA H 190 4.960 4.960 4.818 0.142 18186 1657 1 8 . 1 1 42 42 PHE C C 190 175.606 175.606 174.963 0.643 18186 1658 1 8 . 1 1 42 42 PHE CA C 190 55.918 55.918 56.152 -0.234 18186 1659 1 8 . 1 1 42 42 PHE CB C 190 37.143 37.143 38.507 -1.364 18186 1660 1 8 . 1 1 42 42 PHE H H 190 8.424 8.424 7.889 0.535 18186 1661 1 8 . 1 1 43 43 GLU N N 191 119.788 119.788 121.666 -1.878 18186 1662 1 8 . 1 1 43 43 GLU HA H 191 4.003 4.003 4.078 -0.075 18186 1663 1 8 . 1 1 43 43 GLU C C 191 176.533 176.533 175.947 0.586 18186 1664 1 8 . 1 1 43 43 GLU CA C 191 57.986 57.986 58.182 -0.196 18186 1665 1 8 . 1 1 43 43 GLU CB C 191 27.992 27.992 27.309 0.683 18186 1666 1 8 . 1 1 43 43 GLU H H 191 7.813 7.813 8.031 -0.218 18186 1667 1 8 . 1 1 44 44 ASN N N 192 111.889 111.889 117.751 -5.862 18186 1668 1 8 . 1 1 44 44 ASN HA H 192 4.257 4.257 4.756 -0.499 18186 1669 1 8 . 1 1 44 44 ASN C C 192 174.399 174.399 174.137 0.262 18186 1670 1 8 . 1 1 44 44 ASN CA C 192 54.532 54.532 54.152 0.380 18186 1671 1 8 . 1 1 44 44 ASN CB C 192 37.989 37.989 40.463 -2.474 18186 1672 1 8 . 1 1 44 44 ASN H H 192 9.162 9.162 8.708 0.454 18186 1673 1 8 . 1 1 45 45 ASP N N 193 118.609 118.609 123.069 -4.460 18186 1674 1 8 . 1 1 45 45 ASP HA H 193 4.773 4.773 4.985 -0.212 18186 1675 1 8 . 1 1 45 45 ASP C C 193 175.994 175.994 176.426 -0.432 18186 1676 1 8 . 1 1 45 45 ASP CA C 193 53.393 53.393 53.175 0.218 18186 1677 1 8 . 1 1 45 45 ASP CB C 193 40.525 40.525 40.448 0.077 18186 1678 1 8 . 1 1 45 45 ASP H H 193 7.571 7.571 8.223 -0.652 18186 1679 1 8 . 1 1 46 46 GLN N N 194 124.969 124.969 122.462 2.507 18186 1680 1 8 . 1 1 46 46 GLN HA H 194 3.947 3.947 4.011 -0.064 18186 1681 1 8 . 1 1 46 46 GLN C C 194 178.265 178.265 177.583 0.682 18186 1682 1 8 . 1 1 46 46 GLN CA C 194 58.622 58.622 58.773 -0.151 18186 1683 1 8 . 1 1 46 46 GLN CB C 194 28.410 28.410 28.497 -0.087 18186 1684 1 8 . 1 1 46 46 GLN H H 194 8.483 8.483 8.289 0.194 18186 1685 1 8 . 1 1 47 47 ALA N N 195 122.283 122.283 120.991 1.292 18186 1686 1 8 . 1 1 47 47 ALA HA H 195 4.118 4.118 3.913 0.205 18186 1687 1 8 . 1 1 47 47 ALA C C 195 180.158 180.158 178.654 1.504 18186 1688 1 8 . 1 1 47 47 ALA CA C 195 55.047 55.047 54.811 0.236 18186 1689 1 8 . 1 1 47 47 ALA CB C 195 17.990 17.990 17.961 0.029 18186 1690 1 8 . 1 1 47 47 ALA H H 195 8.259 8.259 8.651 -0.392 18186 1691 1 8 . 1 1 48 48 ALA N N 196 122.453 122.453 121.185 1.268 18186 1692 1 8 . 1 1 48 48 ALA HA H 196 3.885 3.885 3.944 -0.059 18186 1693 1 8 . 1 1 48 48 ALA C C 196 179.094 179.094 179.272 -0.178 18186 1694 1 8 . 1 1 48 48 ALA CA C 196 54.761 54.761 54.386 0.375 18186 1695 1 8 . 1 1 48 48 ALA CB C 196 18.090 18.090 17.770 0.320 18186 1696 1 8 . 1 1 48 48 ALA H H 196 7.576 7.576 7.234 0.342 18186 1697 1 8 . 1 1 49 49 VAL N N 197 115.834 115.834 118.744 -2.910 18186 1698 1 8 . 1 1 49 49 VAL HA H 197 3.262 3.262 3.492 -0.230 18186 1699 1 8 . 1 1 49 49 VAL C C 197 177.538 177.538 178.158 -0.620 18186 1700 1 8 . 1 1 49 49 VAL CA C 197 67.330 67.330 66.411 0.919 18186 1701 1 8 . 1 1 49 49 VAL CB C 197 32.065 32.065 30.709 1.356 18186 1702 1 8 . 1 1 49 49 VAL H H 197 7.635 7.635 7.641 -0.006 18186 1703 1 8 . 1 1 50 50 ARG N N 198 117.335 117.335 119.013 -1.678 18186 1704 1 8 . 1 1 50 50 ARG HA H 198 3.966 3.966 3.897 0.069 18186 1705 1 8 . 1 1 50 50 ARG C C 198 178.504 178.504 179.010 -0.506 18186 1706 1 8 . 1 1 50 50 ARG CA C 198 59.205 59.205 60.230 -1.025 18186 1707 1 8 . 1 1 50 50 ARG CB C 198 29.917 29.917 29.845 0.072 18186 1708 1 8 . 1 1 50 50 ARG H H 198 8.022 8.022 8.215 -0.193 18186 1709 1 8 . 1 1 51 51 GLN N N 199 117.513 117.513 118.127 -0.614 18186 1710 1 8 . 1 1 51 51 GLN HA H 199 4.079 4.079 4.008 0.071 18186 1711 1 8 . 1 1 51 51 GLN C C 199 179.594 179.594 178.784 0.810 18186 1712 1 8 . 1 1 51 51 GLN CA C 199 59.209 59.209 58.869 0.340 18186 1713 1 8 . 1 1 51 51 GLN CB C 199 29.186 29.186 28.666 0.520 18186 1714 1 8 . 1 1 51 51 GLN H H 199 7.849 7.849 7.853 -0.004 18186 1715 1 8 . 1 1 52 52 VAL N N 200 120.041 120.041 117.476 2.565 18186 1716 1 8 . 1 1 52 52 VAL HA H 200 3.984 3.984 3.827 0.157 18186 1717 1 8 . 1 1 52 52 VAL C C 200 177.885 177.885 177.783 0.102 18186 1718 1 8 . 1 1 52 52 VAL CA C 200 67.197 67.197 65.932 1.265 18186 1719 1 8 . 1 1 52 52 VAL CB C 200 31.849 31.849 31.376 0.473 18186 1720 1 8 . 1 1 52 52 VAL H H 200 8.189 8.189 8.171 0.018 18186 1721 1 8 . 1 1 53 53 MET N N 201 118.360 118.360 119.466 -1.106 18186 1722 1 8 . 1 1 53 53 MET HA H 201 4.384 4.384 4.312 0.072 18186 1723 1 8 . 1 1 53 53 MET C C 201 178.909 178.909 178.963 -0.054 18186 1724 1 8 . 1 1 53 53 MET CA C 201 56.727 56.727 57.562 -0.835 18186 1725 1 8 . 1 1 53 53 MET CB C 201 30.041 30.041 31.145 -1.104 18186 1726 1 8 . 1 1 53 53 MET H H 201 8.824 8.824 8.149 0.675 18186 1727 1 8 . 1 1 54 54 GLU N N 202 117.888 117.888 119.122 -1.234 18186 1728 1 8 . 1 1 54 54 GLU HA H 202 3.971 3.971 3.965 0.006 18186 1729 1 8 . 1 1 54 54 GLU C C 202 179.317 179.317 179.030 0.287 18186 1730 1 8 . 1 1 54 54 GLU CA C 202 59.753 59.753 59.167 0.586 18186 1731 1 8 . 1 1 54 54 GLU CB C 202 29.433 29.433 29.338 0.095 18186 1732 1 8 . 1 1 54 54 GLU H H 202 8.610 8.610 8.472 0.138 18186 1733 1 8 . 1 1 55 55 ARG N N 203 120.547 120.547 120.964 -0.417 18186 1734 1 8 . 1 1 55 55 ARG HA H 203 4.137 4.137 4.188 -0.051 18186 1735 1 8 . 1 1 55 55 ARG C C 203 178.586 178.586 178.695 -0.109 18186 1736 1 8 . 1 1 55 55 ARG CA C 203 59.981 59.981 59.034 0.947 18186 1737 1 8 . 1 1 55 55 ARG CB C 203 29.915 29.915 30.234 -0.319 18186 1738 1 8 . 1 1 55 55 ARG H H 203 7.585 7.585 7.753 -0.168 18186 1739 1 8 . 1 1 56 56 LEU N N 204 119.246 119.246 120.636 -1.390 18186 1740 1 8 . 1 1 56 56 LEU HA H 204 4.741 4.741 4.091 0.650 18186 1741 1 8 . 1 1 56 56 LEU C C 204 180.650 180.650 179.251 1.399 18186 1742 1 8 . 1 1 56 56 LEU CA C 204 58.247 58.247 58.086 0.161 18186 1743 1 8 . 1 1 56 56 LEU CB C 204 43.834 43.834 41.943 1.891 18186 1744 1 8 . 1 1 56 56 LEU H H 204 9.150 9.150 8.472 0.678 18186 1745 1 8 . 1 1 57 57 GLN N N 205 117.821 117.821 118.030 -0.209 18186 1746 1 8 . 1 1 57 57 GLN HA H 205 3.836 3.836 3.578 0.258 18186 1747 1 8 . 1 1 57 57 GLN C C 205 179.341 179.341 178.267 1.074 18186 1748 1 8 . 1 1 57 57 GLN CA C 205 59.618 59.618 58.994 0.624 18186 1749 1 8 . 1 1 57 57 GLN CB C 205 28.153 28.153 28.024 0.129 18186 1750 1 8 . 1 1 57 57 GLN H H 205 8.529 8.529 8.150 0.379 18186 1751 1 8 . 1 1 58 58 LYS N N 206 122.702 122.702 120.866 1.836 18186 1752 1 8 . 1 1 58 58 LYS HA H 206 4.176 4.176 3.977 0.199 18186 1753 1 8 . 1 1 58 58 LYS C C 206 180.260 180.260 179.155 1.105 18186 1754 1 8 . 1 1 58 58 LYS CA C 206 59.400 59.400 59.337 0.063 18186 1755 1 8 . 1 1 58 58 LYS CB C 206 32.555 32.555 32.261 0.294 18186 1756 1 8 . 1 1 58 58 LYS H H 206 8.449 8.449 7.961 0.488 18186 1757 1 8 . 1 1 59 59 GLY N N 207 108.195 108.195 106.735 1.460 18186 1758 1 8 . 1 1 59 59 GLY C C 207 175.772 175.772 175.633 0.139 18186 1759 1 8 . 1 1 59 59 GLY CA C 207 48.776 48.776 46.853 1.923 18186 1760 1 8 . 1 1 59 59 GLY H H 207 8.980 8.980 8.364 0.616 18186 1761 1 8 . 1 1 60 60 TRP N N 208 122.252 122.252 122.911 -0.659 18186 1762 1 8 . 1 1 60 60 TRP HA H 208 4.317 4.317 4.437 -0.120 18186 1763 1 8 . 1 1 60 60 TRP C C 208 178.892 178.892 176.585 2.307 18186 1764 1 8 . 1 1 60 60 TRP CA C 208 61.295 61.295 60.598 0.697 18186 1765 1 8 . 1 1 60 60 TRP CB C 208 30.038 30.038 29.825 0.213 18186 1766 1 8 . 1 1 60 60 TRP H H 208 8.539 8.539 8.323 0.216 18186 1767 1 8 . 1 1 61 61 SER N N 209 111.947 111.947 112.863 -0.916 18186 1768 1 8 . 1 1 61 61 SER HA H 209 4.350 4.350 4.333 0.017 18186 1769 1 8 . 1 1 61 61 SER C C 209 175.979 175.979 176.452 -0.473 18186 1770 1 8 . 1 1 61 61 SER CA C 209 61.244 61.244 61.105 0.139 18186 1771 1 8 . 1 1 61 61 SER CB C 209 63.501 63.501 63.253 0.248 18186 1772 1 8 . 1 1 61 61 SER H H 209 7.506 7.506 7.790 -0.284 18186 1773 1 8 . 1 1 62 62 LEU N N 210 121.081 121.081 121.435 -0.354 18186 1774 1 8 . 1 1 62 62 LEU HA H 210 4.265 4.265 4.244 0.021 18186 1775 1 8 . 1 1 62 62 LEU C C 210 177.971 177.971 178.033 -0.062 18186 1776 1 8 . 1 1 62 62 LEU CA C 210 56.547 56.547 56.444 0.103 18186 1777 1 8 . 1 1 62 62 LEU CB C 210 43.115 43.115 42.121 0.994 18186 1778 1 8 . 1 1 62 62 LEU H H 210 7.847 7.847 7.664 0.183 18186 1779 1 8 . 1 1 63 63 ALA N N 211 121.059 121.059 120.352 0.707 18186 1780 1 8 . 1 1 63 63 ALA HA H 211 4.235 4.235 4.342 -0.107 18186 1781 1 8 . 1 1 63 63 ALA C C 211 174.771 174.771 176.627 -1.856 18186 1782 1 8 . 1 1 63 63 ALA CA C 211 51.860 51.860 52.061 -0.201 18186 1783 1 8 . 1 1 63 63 ALA CB C 211 19.824 19.824 18.216 1.608 18186 1784 1 8 . 1 1 63 63 ALA H H 211 7.805 7.805 7.820 -0.015 18186 1785 1 9 . 1 1 26 26 GLU N N 174 123.201 123.201 120.908 2.293 18186 1786 1 9 . 1 1 26 26 GLU HA H 174 4.422 4.422 4.514 -0.092 18186 1787 1 9 . 1 1 26 26 GLU C C 174 176.498 176.498 176.529 -0.031 18186 1788 1 9 . 1 1 26 26 GLU CA C 174 55.987 55.987 56.433 -0.446 18186 1789 1 9 . 1 1 26 26 GLU CB C 174 30.674 30.674 29.856 0.818 18186 1790 1 9 . 1 1 26 26 GLU H H 174 8.463 8.463 8.636 -0.173 18186 1791 1 9 . 1 1 27 27 LEU N N 175 125.204 125.204 122.477 2.727 18186 1792 1 9 . 1 1 27 27 LEU HA H 175 4.464 4.464 4.278 0.186 18186 1793 1 9 . 1 1 27 27 LEU C C 175 176.514 176.514 176.401 0.113 18186 1794 1 9 . 1 1 27 27 LEU CA C 175 55.039 55.039 55.413 -0.374 18186 1795 1 9 . 1 1 27 27 LEU CB C 175 42.868 42.868 42.243 0.625 18186 1796 1 9 . 1 1 27 27 LEU H H 175 8.479 8.479 7.838 0.641 18186 1797 1 9 . 1 1 28 28 THR N N 176 117.260 117.260 118.322 -1.062 18186 1798 1 9 . 1 1 28 28 THR HA H 176 4.430 4.430 4.559 -0.129 18186 1799 1 9 . 1 1 28 28 THR C C 176 173.007 173.007 173.267 -0.260 18186 1800 1 9 . 1 1 28 28 THR CA C 176 61.148 61.148 61.495 -0.347 18186 1801 1 9 . 1 1 28 28 THR CB C 176 70.400 70.400 70.143 0.257 18186 1802 1 9 . 1 1 28 28 THR H H 176 8.363 8.363 8.171 0.192 18186 1803 1 9 . 1 1 29 29 VAL N N 177 124.841 124.841 125.345 -0.504 18186 1804 1 9 . 1 1 29 29 VAL HA H 177 3.604 3.604 4.040 -0.436 18186 1805 1 9 . 1 1 29 29 VAL CA C 177 59.318 59.318 57.776 1.542 18186 1806 1 9 . 1 1 29 29 VAL CB C 177 33.054 33.054 32.225 0.829 18186 1807 1 9 . 1 1 29 29 VAL H H 177 7.950 7.950 8.049 -0.099 18186 1808 1 9 . 1 1 30 30 PRO HA H 178 4.797 4.797 4.472 0.325 18186 1809 1 9 . 1 1 30 30 PRO C C 178 175.813 175.813 176.551 -0.738 18186 1810 1 9 . 1 1 30 30 PRO CA C 178 60.737 60.737 62.710 -1.973 18186 1811 1 9 . 1 1 30 30 PRO CB C 178 28.074 28.074 30.357 -2.283 18186 1812 1 9 . 1 1 31 31 TRP N N 179 125.415 125.415 125.047 0.368 18186 1813 1 9 . 1 1 31 31 TRP HA H 179 4.179 4.179 4.197 -0.018 18186 1814 1 9 . 1 1 31 31 TRP C C 179 177.545 177.545 177.812 -0.267 18186 1815 1 9 . 1 1 31 31 TRP CA C 179 60.702 60.702 60.496 0.206 18186 1816 1 9 . 1 1 31 31 TRP CB C 179 30.098 30.098 29.211 0.887 18186 1817 1 9 . 1 1 31 31 TRP H H 179 7.898 7.898 7.815 0.083 18186 1818 1 9 . 1 1 32 32 ASP N N 180 117.166 117.166 119.812 -2.646 18186 1819 1 9 . 1 1 32 32 ASP HA H 180 4.480 4.480 4.383 0.097 18186 1820 1 9 . 1 1 32 32 ASP C C 180 179.109 179.109 177.537 1.572 18186 1821 1 9 . 1 1 32 32 ASP CA C 180 57.553 57.553 57.730 -0.177 18186 1822 1 9 . 1 1 32 32 ASP CB C 180 39.449 39.449 40.332 -0.883 18186 1823 1 9 . 1 1 32 32 ASP H H 180 8.740 8.740 8.697 0.043 18186 1824 1 9 . 1 1 33 33 ASP N N 181 121.203 121.203 119.582 1.621 18186 1825 1 9 . 1 1 33 33 ASP HA H 181 4.493 4.493 4.431 0.062 18186 1826 1 9 . 1 1 33 33 ASP C C 181 179.288 179.288 178.548 0.740 18186 1827 1 9 . 1 1 33 33 ASP CA C 181 57.069 57.069 57.306 -0.237 18186 1828 1 9 . 1 1 33 33 ASP CB C 181 40.808 40.808 40.551 0.257 18186 1829 1 9 . 1 1 33 33 ASP H H 181 7.713 7.713 8.479 -0.766 18186 1830 1 9 . 1 1 34 34 ILE N N 182 122.718 122.718 120.561 2.157 18186 1831 1 9 . 1 1 34 34 ILE HA H 182 3.479 3.479 3.621 -0.142 18186 1832 1 9 . 1 1 34 34 ILE C C 182 176.679 176.679 177.392 -0.713 18186 1833 1 9 . 1 1 34 34 ILE CA C 182 65.867 65.867 65.421 0.446 18186 1834 1 9 . 1 1 34 34 ILE CB C 182 37.745 37.745 38.019 -0.274 18186 1835 1 9 . 1 1 34 34 ILE H H 182 7.979 7.979 8.179 -0.200 18186 1836 1 9 . 1 1 35 35 GLU N N 183 122.734 122.734 120.627 2.107 18186 1837 1 9 . 1 1 35 35 GLU HA H 183 3.856 3.856 3.942 -0.086 18186 1838 1 9 . 1 1 35 35 GLU C C 183 178.061 178.061 178.902 -0.841 18186 1839 1 9 . 1 1 35 35 GLU CA C 183 61.190 61.190 59.806 1.384 18186 1840 1 9 . 1 1 35 35 GLU CB C 183 29.306 29.306 29.608 -0.302 18186 1841 1 9 . 1 1 35 35 GLU H H 183 8.938 8.938 8.310 0.628 18186 1842 1 9 . 1 1 36 36 ALA N N 184 119.761 119.761 121.705 -1.944 18186 1843 1 9 . 1 1 36 36 ALA HA H 184 4.022 4.022 4.063 -0.041 18186 1844 1 9 . 1 1 36 36 ALA C C 184 180.257 180.257 179.229 1.028 18186 1845 1 9 . 1 1 36 36 ALA CA C 184 55.378 55.378 55.177 0.201 18186 1846 1 9 . 1 1 36 36 ALA CB C 184 18.118 18.118 18.486 -0.368 18186 1847 1 9 . 1 1 36 36 ALA H H 184 7.675 7.675 8.005 -0.330 18186 1848 1 9 . 1 1 37 37 LEU N N 185 120.850 120.850 120.772 0.078 18186 1849 1 9 . 1 1 37 37 LEU HA H 185 4.168 4.168 4.151 0.017 18186 1850 1 9 . 1 1 37 37 LEU C C 185 179.866 179.866 178.760 1.106 18186 1851 1 9 . 1 1 37 37 LEU CA C 185 58.236 58.236 57.934 0.302 18186 1852 1 9 . 1 1 37 37 LEU CB C 185 41.824 41.824 42.023 -0.199 18186 1853 1 9 . 1 1 37 37 LEU H H 185 7.563 7.563 7.798 -0.235 18186 1854 1 9 . 1 1 38 38 LEU N N 186 120.391 120.391 118.781 1.610 18186 1855 1 9 . 1 1 38 38 LEU HA H 186 3.677 3.677 4.144 -0.467 18186 1856 1 9 . 1 1 38 38 LEU C C 186 178.449 178.449 179.383 -0.934 18186 1857 1 9 . 1 1 38 38 LEU CA C 186 57.844 57.844 57.431 0.413 18186 1858 1 9 . 1 1 38 38 LEU CB C 186 41.641 41.641 40.562 1.079 18186 1859 1 9 . 1 1 38 38 LEU H H 186 8.633 8.633 8.557 0.076 18186 1860 1 9 . 1 1 39 39 LYS N N 187 119.670 119.670 120.719 -1.049 18186 1861 1 9 . 1 1 39 39 LYS HA H 187 3.778 3.778 3.983 -0.205 18186 1862 1 9 . 1 1 39 39 LYS C C 187 178.295 178.295 178.290 0.005 18186 1863 1 9 . 1 1 39 39 LYS CA C 187 60.595 60.595 60.081 0.514 18186 1864 1 9 . 1 1 39 39 LYS CB C 187 32.354 32.354 32.449 -0.095 18186 1865 1 9 . 1 1 39 39 LYS H H 187 8.641 8.641 8.215 0.426 18186 1866 1 9 . 1 1 40 40 ASN N N 188 115.677 115.677 117.043 -1.366 18186 1867 1 9 . 1 1 40 40 ASN HA H 188 4.529 4.529 4.466 0.063 18186 1868 1 9 . 1 1 40 40 ASN C C 188 177.759 177.759 178.599 -0.840 18186 1869 1 9 . 1 1 40 40 ASN CA C 188 55.888 55.888 56.133 -0.245 18186 1870 1 9 . 1 1 40 40 ASN CB C 188 38.679 38.679 38.475 0.204 18186 1871 1 9 . 1 1 40 40 ASN H H 188 7.411 7.411 8.217 -0.806 18186 1872 1 9 . 1 1 41 41 ASN N N 189 119.819 119.819 118.352 1.467 18186 1873 1 9 . 1 1 41 41 ASN HA H 189 4.279 4.279 4.420 -0.141 18186 1874 1 9 . 1 1 41 41 ASN C C 189 176.175 176.175 175.819 0.356 18186 1875 1 9 . 1 1 41 41 ASN CA C 189 56.664 56.664 55.456 1.208 18186 1876 1 9 . 1 1 41 41 ASN CB C 189 39.680 39.680 38.786 0.894 18186 1877 1 9 . 1 1 41 41 ASN H H 189 8.367 8.367 8.160 0.207 18186 1878 1 9 . 1 1 42 42 PHE N N 190 115.910 115.910 116.632 -0.722 18186 1879 1 9 . 1 1 42 42 PHE HA H 190 4.960 4.960 4.808 0.152 18186 1880 1 9 . 1 1 42 42 PHE C C 190 175.606 175.606 174.831 0.775 18186 1881 1 9 . 1 1 42 42 PHE CA C 190 55.918 55.918 55.992 -0.074 18186 1882 1 9 . 1 1 42 42 PHE CB C 190 37.143 37.143 38.516 -1.373 18186 1883 1 9 . 1 1 42 42 PHE H H 190 8.424 8.424 7.924 0.500 18186 1884 1 9 . 1 1 43 43 GLU N N 191 119.788 119.788 121.630 -1.842 18186 1885 1 9 . 1 1 43 43 GLU HA H 191 4.003 4.003 4.102 -0.099 18186 1886 1 9 . 1 1 43 43 GLU C C 191 176.533 176.533 175.969 0.564 18186 1887 1 9 . 1 1 43 43 GLU CA C 191 57.986 57.986 57.828 0.158 18186 1888 1 9 . 1 1 43 43 GLU CB C 191 27.992 27.992 27.197 0.795 18186 1889 1 9 . 1 1 43 43 GLU H H 191 7.813 7.813 8.020 -0.207 18186 1890 1 9 . 1 1 44 44 ASN N N 192 111.889 111.889 116.707 -4.818 18186 1891 1 9 . 1 1 44 44 ASN HA H 192 4.257 4.257 4.735 -0.478 18186 1892 1 9 . 1 1 44 44 ASN C C 192 174.399 174.399 174.403 -0.004 18186 1893 1 9 . 1 1 44 44 ASN CA C 192 54.532 54.532 54.199 0.333 18186 1894 1 9 . 1 1 44 44 ASN CB C 192 37.989 37.989 40.360 -2.371 18186 1895 1 9 . 1 1 44 44 ASN H H 192 9.162 9.162 8.719 0.443 18186 1896 1 9 . 1 1 45 45 ASP N N 193 118.609 118.609 123.096 -4.487 18186 1897 1 9 . 1 1 45 45 ASP HA H 193 4.773 4.773 4.992 -0.219 18186 1898 1 9 . 1 1 45 45 ASP C C 193 175.994 175.994 176.417 -0.423 18186 1899 1 9 . 1 1 45 45 ASP CA C 193 53.393 53.393 53.129 0.264 18186 1900 1 9 . 1 1 45 45 ASP CB C 193 40.525 40.525 40.484 0.041 18186 1901 1 9 . 1 1 45 45 ASP H H 193 7.571 7.571 8.267 -0.696 18186 1902 1 9 . 1 1 46 46 GLN N N 194 124.969 124.969 122.631 2.338 18186 1903 1 9 . 1 1 46 46 GLN HA H 194 3.947 3.947 3.989 -0.042 18186 1904 1 9 . 1 1 46 46 GLN C C 194 178.265 178.265 177.587 0.678 18186 1905 1 9 . 1 1 46 46 GLN CA C 194 58.622 58.622 58.805 -0.183 18186 1906 1 9 . 1 1 46 46 GLN CB C 194 28.410 28.410 28.434 -0.024 18186 1907 1 9 . 1 1 46 46 GLN H H 194 8.483 8.483 8.331 0.152 18186 1908 1 9 . 1 1 47 47 ALA N N 195 122.283 122.283 120.919 1.364 18186 1909 1 9 . 1 1 47 47 ALA HA H 195 4.118 4.118 3.909 0.209 18186 1910 1 9 . 1 1 47 47 ALA C C 195 180.158 180.158 178.629 1.529 18186 1911 1 9 . 1 1 47 47 ALA CA C 195 55.047 55.047 54.824 0.223 18186 1912 1 9 . 1 1 47 47 ALA CB C 195 17.990 17.990 17.955 0.035 18186 1913 1 9 . 1 1 47 47 ALA H H 195 8.259 8.259 8.629 -0.370 18186 1914 1 9 . 1 1 48 48 ALA N N 196 122.453 122.453 121.077 1.376 18186 1915 1 9 . 1 1 48 48 ALA HA H 196 3.885 3.885 3.889 -0.004 18186 1916 1 9 . 1 1 48 48 ALA C C 196 179.094 179.094 179.198 -0.104 18186 1917 1 9 . 1 1 48 48 ALA CA C 196 54.761 54.761 54.249 0.512 18186 1918 1 9 . 1 1 48 48 ALA CB C 196 18.090 18.090 17.755 0.335 18186 1919 1 9 . 1 1 48 48 ALA H H 196 7.576 7.576 7.356 0.220 18186 1920 1 9 . 1 1 49 49 VAL N N 197 115.834 115.834 118.981 -3.147 18186 1921 1 9 . 1 1 49 49 VAL HA H 197 3.262 3.262 3.419 -0.157 18186 1922 1 9 . 1 1 49 49 VAL C C 197 177.538 177.538 178.220 -0.682 18186 1923 1 9 . 1 1 49 49 VAL CA C 197 67.330 67.330 66.914 0.416 18186 1924 1 9 . 1 1 49 49 VAL CB C 197 32.065 32.065 31.412 0.653 18186 1925 1 9 . 1 1 49 49 VAL H H 197 7.635 7.635 7.669 -0.034 18186 1926 1 9 . 1 1 50 50 ARG N N 198 117.335 117.335 118.739 -1.404 18186 1927 1 9 . 1 1 50 50 ARG HA H 198 3.966 3.966 3.905 0.061 18186 1928 1 9 . 1 1 50 50 ARG C C 198 178.504 178.504 178.921 -0.417 18186 1929 1 9 . 1 1 50 50 ARG CA C 198 59.205 59.205 60.144 -0.939 18186 1930 1 9 . 1 1 50 50 ARG CB C 198 29.917 29.917 30.026 -0.109 18186 1931 1 9 . 1 1 50 50 ARG H H 198 8.022 8.022 8.167 -0.145 18186 1932 1 9 . 1 1 51 51 GLN N N 199 117.513 117.513 118.121 -0.608 18186 1933 1 9 . 1 1 51 51 GLN HA H 199 4.079 4.079 4.037 0.042 18186 1934 1 9 . 1 1 51 51 GLN C C 199 179.594 179.594 178.854 0.740 18186 1935 1 9 . 1 1 51 51 GLN CA C 199 59.209 59.209 58.809 0.400 18186 1936 1 9 . 1 1 51 51 GLN CB C 199 29.186 29.186 28.691 0.495 18186 1937 1 9 . 1 1 51 51 GLN H H 199 7.849 7.849 7.889 -0.040 18186 1938 1 9 . 1 1 52 52 VAL N N 200 120.041 120.041 117.654 2.387 18186 1939 1 9 . 1 1 52 52 VAL HA H 200 3.984 3.984 3.904 0.080 18186 1940 1 9 . 1 1 52 52 VAL C C 200 177.885 177.885 177.674 0.211 18186 1941 1 9 . 1 1 52 52 VAL CA C 200 67.197 67.197 65.691 1.506 18186 1942 1 9 . 1 1 52 52 VAL CB C 200 31.849 31.849 31.128 0.721 18186 1943 1 9 . 1 1 52 52 VAL H H 200 8.189 8.189 8.254 -0.065 18186 1944 1 9 . 1 1 53 53 MET N N 201 118.360 118.360 121.053 -2.693 18186 1945 1 9 . 1 1 53 53 MET HA H 201 4.384 4.384 4.296 0.088 18186 1946 1 9 . 1 1 53 53 MET C C 201 178.909 178.909 178.394 0.515 18186 1947 1 9 . 1 1 53 53 MET CA C 201 56.727 56.727 58.501 -1.774 18186 1948 1 9 . 1 1 53 53 MET CB C 201 30.041 30.041 31.791 -1.750 18186 1949 1 9 . 1 1 53 53 MET H H 201 8.824 8.824 8.276 0.548 18186 1950 1 9 . 1 1 54 54 GLU N N 202 117.888 117.888 118.581 -0.693 18186 1951 1 9 . 1 1 54 54 GLU HA H 202 3.971 3.971 3.991 -0.020 18186 1952 1 9 . 1 1 54 54 GLU C C 202 179.317 179.317 178.866 0.451 18186 1953 1 9 . 1 1 54 54 GLU CA C 202 59.753 59.753 59.135 0.618 18186 1954 1 9 . 1 1 54 54 GLU CB C 202 29.433 29.433 29.364 0.069 18186 1955 1 9 . 1 1 54 54 GLU H H 202 8.610 8.610 8.424 0.186 18186 1956 1 9 . 1 1 55 55 ARG N N 203 120.547 120.547 121.156 -0.609 18186 1957 1 9 . 1 1 55 55 ARG HA H 203 4.137 4.137 4.197 -0.060 18186 1958 1 9 . 1 1 55 55 ARG C C 203 178.586 178.586 178.733 -0.147 18186 1959 1 9 . 1 1 55 55 ARG CA C 203 59.981 59.981 59.083 0.898 18186 1960 1 9 . 1 1 55 55 ARG CB C 203 29.915 29.915 30.243 -0.328 18186 1961 1 9 . 1 1 55 55 ARG H H 203 7.585 7.585 7.771 -0.186 18186 1962 1 9 . 1 1 56 56 LEU N N 204 119.246 119.246 120.485 -1.239 18186 1963 1 9 . 1 1 56 56 LEU HA H 204 4.741 4.741 4.111 0.630 18186 1964 1 9 . 1 1 56 56 LEU C C 204 180.650 180.650 179.056 1.594 18186 1965 1 9 . 1 1 56 56 LEU CA C 204 58.247 58.247 58.007 0.241 18186 1966 1 9 . 1 1 56 56 LEU CB C 204 43.834 43.834 41.883 1.950 18186 1967 1 9 . 1 1 56 56 LEU H H 204 9.150 9.150 8.487 0.663 18186 1968 1 9 . 1 1 57 57 GLN N N 205 117.821 117.821 118.918 -1.097 18186 1969 1 9 . 1 1 57 57 GLN HA H 205 3.836 3.836 3.450 0.386 18186 1970 1 9 . 1 1 57 57 GLN C C 205 179.341 179.341 178.045 1.296 18186 1971 1 9 . 1 1 57 57 GLN CA C 205 59.618 59.618 58.679 0.939 18186 1972 1 9 . 1 1 57 57 GLN CB C 205 28.153 28.153 27.846 0.307 18186 1973 1 9 . 1 1 57 57 GLN H H 205 8.529 8.529 8.111 0.418 18186 1974 1 9 . 1 1 58 58 LYS N N 206 122.702 122.702 119.607 3.095 18186 1975 1 9 . 1 1 58 58 LYS HA H 206 4.176 4.176 3.989 0.187 18186 1976 1 9 . 1 1 58 58 LYS C C 206 180.260 180.260 179.085 1.175 18186 1977 1 9 . 1 1 58 58 LYS CA C 206 59.400 59.400 59.204 0.196 18186 1978 1 9 . 1 1 58 58 LYS CB C 206 32.555 32.555 32.360 0.195 18186 1979 1 9 . 1 1 58 58 LYS H H 206 8.449 8.449 7.920 0.529 18186 1980 1 9 . 1 1 59 59 GLY N N 207 108.195 108.195 107.013 1.182 18186 1981 1 9 . 1 1 59 59 GLY C C 207 175.772 175.772 175.683 0.089 18186 1982 1 9 . 1 1 59 59 GLY CA C 207 48.776 48.776 46.971 1.805 18186 1983 1 9 . 1 1 59 59 GLY H H 207 8.980 8.980 8.375 0.605 18186 1984 1 9 . 1 1 60 60 TRP N N 208 122.252 122.252 122.671 -0.419 18186 1985 1 9 . 1 1 60 60 TRP HA H 208 4.317 4.317 4.489 -0.172 18186 1986 1 9 . 1 1 60 60 TRP C C 208 178.892 178.892 176.947 1.945 18186 1987 1 9 . 1 1 60 60 TRP CA C 208 61.295 61.295 60.372 0.923 18186 1988 1 9 . 1 1 60 60 TRP CB C 208 30.038 30.038 29.514 0.524 18186 1989 1 9 . 1 1 60 60 TRP H H 208 8.539 8.539 8.267 0.272 18186 1990 1 9 . 1 1 61 61 SER N N 209 111.947 111.947 113.884 -1.937 18186 1991 1 9 . 1 1 61 61 SER HA H 209 4.350 4.350 4.358 -0.008 18186 1992 1 9 . 1 1 61 61 SER C C 209 175.979 175.979 177.224 -1.245 18186 1993 1 9 . 1 1 61 61 SER CA C 209 61.244 61.244 61.192 0.052 18186 1994 1 9 . 1 1 61 61 SER CB C 209 63.501 63.501 63.419 0.082 18186 1995 1 9 . 1 1 61 61 SER H H 209 7.506 7.506 7.733 -0.227 18186 1996 1 9 . 1 1 62 62 LEU N N 210 121.081 121.081 122.606 -1.525 18186 1997 1 9 . 1 1 62 62 LEU HA H 210 4.265 4.265 4.296 -0.031 18186 1998 1 9 . 1 1 62 62 LEU C C 210 177.971 177.971 178.100 -0.129 18186 1999 1 9 . 1 1 62 62 LEU CA C 210 56.547 56.547 56.832 -0.285 18186 2000 1 9 . 1 1 62 62 LEU CB C 210 43.115 43.115 42.233 0.882 18186 2001 1 9 . 1 1 62 62 LEU H H 210 7.847 7.847 7.975 -0.128 18186 2002 1 9 . 1 1 63 63 ALA N N 211 121.059 121.059 119.523 1.536 18186 2003 1 9 . 1 1 63 63 ALA HA H 211 4.235 4.235 4.219 0.016 18186 2004 1 9 . 1 1 63 63 ALA C C 211 174.771 174.771 176.699 -1.928 18186 2005 1 9 . 1 1 63 63 ALA CA C 211 51.860 51.860 51.983 -0.123 18186 2006 1 9 . 1 1 63 63 ALA CB C 211 19.824 19.824 18.826 0.998 18186 2007 1 9 . 1 1 63 63 ALA H H 211 7.805 7.805 8.035 -0.230 18186 2008 1 10 . 1 1 26 26 GLU N N 174 123.201 123.201 120.340 2.861 18186 2009 1 10 . 1 1 26 26 GLU HA H 174 4.422 4.422 4.610 -0.188 18186 2010 1 10 . 1 1 26 26 GLU C C 174 176.498 176.498 176.394 0.104 18186 2011 1 10 . 1 1 26 26 GLU CA C 174 55.987 55.987 56.136 -0.149 18186 2012 1 10 . 1 1 26 26 GLU CB C 174 30.674 30.674 30.244 0.430 18186 2013 1 10 . 1 1 26 26 GLU H H 174 8.463 8.463 8.551 -0.088 18186 2014 1 10 . 1 1 27 27 LEU N N 175 125.204 125.204 122.478 2.726 18186 2015 1 10 . 1 1 27 27 LEU HA H 175 4.464 4.464 4.224 0.240 18186 2016 1 10 . 1 1 27 27 LEU C C 175 176.514 176.514 176.184 0.330 18186 2017 1 10 . 1 1 27 27 LEU CA C 175 55.039 55.039 55.043 -0.004 18186 2018 1 10 . 1 1 27 27 LEU CB C 175 42.868 42.868 42.216 0.652 18186 2019 1 10 . 1 1 27 27 LEU H H 175 8.479 8.479 7.795 0.684 18186 2020 1 10 . 1 1 28 28 THR N N 176 117.260 117.260 119.305 -2.045 18186 2021 1 10 . 1 1 28 28 THR HA H 176 4.430 4.430 4.543 -0.113 18186 2022 1 10 . 1 1 28 28 THR C C 176 173.007 173.007 173.569 -0.562 18186 2023 1 10 . 1 1 28 28 THR CA C 176 61.148 61.148 61.693 -0.545 18186 2024 1 10 . 1 1 28 28 THR CB C 176 70.400 70.400 69.719 0.681 18186 2025 1 10 . 1 1 28 28 THR H H 176 8.363 8.363 8.210 0.153 18186 2026 1 10 . 1 1 29 29 VAL N N 177 124.841 124.841 125.014 -0.173 18186 2027 1 10 . 1 1 29 29 VAL HA H 177 3.604 3.604 4.000 -0.396 18186 2028 1 10 . 1 1 29 29 VAL CA C 177 59.318 59.318 57.987 1.331 18186 2029 1 10 . 1 1 29 29 VAL CB C 177 33.054 33.054 32.135 0.919 18186 2030 1 10 . 1 1 29 29 VAL H H 177 7.950 7.950 8.077 -0.127 18186 2031 1 10 . 1 1 30 30 PRO HA H 178 4.797 4.797 4.468 0.329 18186 2032 1 10 . 1 1 30 30 PRO C C 178 175.813 175.813 176.558 -0.745 18186 2033 1 10 . 1 1 30 30 PRO CA C 178 60.737 60.737 62.687 -1.950 18186 2034 1 10 . 1 1 30 30 PRO CB C 178 28.074 28.074 30.379 -2.305 18186 2035 1 10 . 1 1 31 31 TRP N N 179 125.415 125.415 124.694 0.721 18186 2036 1 10 . 1 1 31 31 TRP HA H 179 4.179 4.179 4.254 -0.075 18186 2037 1 10 . 1 1 31 31 TRP C C 179 177.545 177.545 177.556 -0.011 18186 2038 1 10 . 1 1 31 31 TRP CA C 179 60.702 60.702 60.322 0.380 18186 2039 1 10 . 1 1 31 31 TRP CB C 179 30.098 30.098 29.218 0.880 18186 2040 1 10 . 1 1 31 31 TRP H H 179 7.898 7.898 7.940 -0.042 18186 2041 1 10 . 1 1 32 32 ASP N N 180 117.166 117.166 120.509 -3.343 18186 2042 1 10 . 1 1 32 32 ASP HA H 180 4.480 4.480 4.434 0.046 18186 2043 1 10 . 1 1 32 32 ASP C C 180 179.109 179.109 177.636 1.473 18186 2044 1 10 . 1 1 32 32 ASP CA C 180 57.553 57.553 58.366 -0.813 18186 2045 1 10 . 1 1 32 32 ASP CB C 180 39.449 39.449 39.964 -0.515 18186 2046 1 10 . 1 1 32 32 ASP H H 180 8.740 8.740 8.522 0.218 18186 2047 1 10 . 1 1 33 33 ASP N N 181 121.203 121.203 120.540 0.663 18186 2048 1 10 . 1 1 33 33 ASP HA H 181 4.493 4.493 4.444 0.049 18186 2049 1 10 . 1 1 33 33 ASP C C 181 179.288 179.288 178.840 0.448 18186 2050 1 10 . 1 1 33 33 ASP CA C 181 57.069 57.069 56.986 0.083 18186 2051 1 10 . 1 1 33 33 ASP CB C 181 40.808 40.808 40.456 0.352 18186 2052 1 10 . 1 1 33 33 ASP H H 181 7.713 7.713 8.472 -0.759 18186 2053 1 10 . 1 1 34 34 ILE N N 182 122.718 122.718 120.637 2.081 18186 2054 1 10 . 1 1 34 34 ILE HA H 182 3.479 3.479 3.670 -0.191 18186 2055 1 10 . 1 1 34 34 ILE C C 182 176.679 176.679 177.442 -0.763 18186 2056 1 10 . 1 1 34 34 ILE CA C 182 65.867 65.867 65.210 0.657 18186 2057 1 10 . 1 1 34 34 ILE CB C 182 37.745 37.745 37.986 -0.241 18186 2058 1 10 . 1 1 34 34 ILE H H 182 7.979 7.979 8.241 -0.262 18186 2059 1 10 . 1 1 35 35 GLU N N 183 122.734 122.734 120.912 1.822 18186 2060 1 10 . 1 1 35 35 GLU HA H 183 3.856 3.856 3.923 -0.067 18186 2061 1 10 . 1 1 35 35 GLU C C 183 178.061 178.061 178.890 -0.829 18186 2062 1 10 . 1 1 35 35 GLU CA C 183 61.190 61.190 59.891 1.299 18186 2063 1 10 . 1 1 35 35 GLU CB C 183 29.306 29.306 29.556 -0.250 18186 2064 1 10 . 1 1 35 35 GLU H H 183 8.938 8.938 8.297 0.641 18186 2065 1 10 . 1 1 36 36 ALA N N 184 119.761 119.761 121.459 -1.698 18186 2066 1 10 . 1 1 36 36 ALA HA H 184 4.022 4.022 4.163 -0.141 18186 2067 1 10 . 1 1 36 36 ALA C C 184 180.257 180.257 179.758 0.499 18186 2068 1 10 . 1 1 36 36 ALA CA C 184 55.378 55.378 54.875 0.503 18186 2069 1 10 . 1 1 36 36 ALA CB C 184 18.118 18.118 18.366 -0.248 18186 2070 1 10 . 1 1 36 36 ALA H H 184 7.675 7.675 7.909 -0.234 18186 2071 1 10 . 1 1 37 37 LEU N N 185 120.850 120.850 120.725 0.125 18186 2072 1 10 . 1 1 37 37 LEU HA H 185 4.168 4.168 4.161 0.007 18186 2073 1 10 . 1 1 37 37 LEU C C 185 179.866 179.866 178.777 1.089 18186 2074 1 10 . 1 1 37 37 LEU CA C 185 58.236 58.236 57.918 0.318 18186 2075 1 10 . 1 1 37 37 LEU CB C 185 41.824 41.824 42.062 -0.238 18186 2076 1 10 . 1 1 37 37 LEU H H 185 7.563 7.563 7.753 -0.190 18186 2077 1 10 . 1 1 38 38 LEU N N 186 120.391 120.391 118.812 1.579 18186 2078 1 10 . 1 1 38 38 LEU HA H 186 3.677 3.677 4.151 -0.474 18186 2079 1 10 . 1 1 38 38 LEU C C 186 178.449 178.449 179.382 -0.933 18186 2080 1 10 . 1 1 38 38 LEU CA C 186 57.844 57.844 57.495 0.349 18186 2081 1 10 . 1 1 38 38 LEU CB C 186 41.641 41.641 40.604 1.037 18186 2082 1 10 . 1 1 38 38 LEU H H 186 8.633 8.633 8.735 -0.102 18186 2083 1 10 . 1 1 39 39 LYS N N 187 119.670 119.670 120.828 -1.158 18186 2084 1 10 . 1 1 39 39 LYS HA H 187 3.778 3.778 4.033 -0.255 18186 2085 1 10 . 1 1 39 39 LYS C C 187 178.295 178.295 178.316 -0.021 18186 2086 1 10 . 1 1 39 39 LYS CA C 187 60.595 60.595 60.003 0.592 18186 2087 1 10 . 1 1 39 39 LYS CB C 187 32.354 32.354 32.398 -0.044 18186 2088 1 10 . 1 1 39 39 LYS H H 187 8.641 8.641 8.278 0.363 18186 2089 1 10 . 1 1 40 40 ASN N N 188 115.677 115.677 117.157 -1.480 18186 2090 1 10 . 1 1 40 40 ASN HA H 188 4.529 4.529 4.478 0.051 18186 2091 1 10 . 1 1 40 40 ASN C C 188 177.759 177.759 178.567 -0.808 18186 2092 1 10 . 1 1 40 40 ASN CA C 188 55.888 55.888 56.129 -0.241 18186 2093 1 10 . 1 1 40 40 ASN CB C 188 38.679 38.679 38.502 0.177 18186 2094 1 10 . 1 1 40 40 ASN H H 188 7.411 7.411 8.096 -0.685 18186 2095 1 10 . 1 1 41 41 ASN N N 189 119.819 119.819 117.715 2.104 18186 2096 1 10 . 1 1 41 41 ASN HA H 189 4.279 4.279 4.460 -0.181 18186 2097 1 10 . 1 1 41 41 ASN C C 189 176.175 176.175 175.675 0.500 18186 2098 1 10 . 1 1 41 41 ASN CA C 189 56.664 56.664 55.607 1.057 18186 2099 1 10 . 1 1 41 41 ASN CB C 189 39.680 39.680 38.593 1.087 18186 2100 1 10 . 1 1 41 41 ASN H H 189 8.367 8.367 8.239 0.128 18186 2101 1 10 . 1 1 42 42 PHE N N 190 115.910 115.910 116.807 -0.897 18186 2102 1 10 . 1 1 42 42 PHE HA H 190 4.960 4.960 4.822 0.138 18186 2103 1 10 . 1 1 42 42 PHE C C 190 175.606 175.606 174.978 0.628 18186 2104 1 10 . 1 1 42 42 PHE CA C 190 55.918 55.918 56.128 -0.210 18186 2105 1 10 . 1 1 42 42 PHE CB C 190 37.143 37.143 38.447 -1.304 18186 2106 1 10 . 1 1 42 42 PHE H H 190 8.424 8.424 8.005 0.419 18186 2107 1 10 . 1 1 43 43 GLU N N 191 119.788 119.788 121.616 -1.828 18186 2108 1 10 . 1 1 43 43 GLU HA H 191 4.003 4.003 4.080 -0.077 18186 2109 1 10 . 1 1 43 43 GLU C C 191 176.533 176.533 175.971 0.562 18186 2110 1 10 . 1 1 43 43 GLU CA C 191 57.986 57.986 58.161 -0.175 18186 2111 1 10 . 1 1 43 43 GLU CB C 191 27.992 27.992 27.306 0.686 18186 2112 1 10 . 1 1 43 43 GLU H H 191 7.813 7.813 8.030 -0.217 18186 2113 1 10 . 1 1 44 44 ASN N N 192 111.889 111.889 117.597 -5.708 18186 2114 1 10 . 1 1 44 44 ASN HA H 192 4.257 4.257 4.749 -0.492 18186 2115 1 10 . 1 1 44 44 ASN C C 192 174.399 174.399 174.238 0.161 18186 2116 1 10 . 1 1 44 44 ASN CA C 192 54.532 54.532 54.184 0.348 18186 2117 1 10 . 1 1 44 44 ASN CB C 192 37.989 37.989 40.278 -2.289 18186 2118 1 10 . 1 1 44 44 ASN H H 192 9.162 9.162 8.714 0.448 18186 2119 1 10 . 1 1 45 45 ASP N N 193 118.609 118.609 123.261 -4.652 18186 2120 1 10 . 1 1 45 45 ASP HA H 193 4.773 4.773 4.982 -0.209 18186 2121 1 10 . 1 1 45 45 ASP C C 193 175.994 175.994 176.337 -0.343 18186 2122 1 10 . 1 1 45 45 ASP CA C 193 53.393 53.393 53.153 0.240 18186 2123 1 10 . 1 1 45 45 ASP CB C 193 40.525 40.525 40.249 0.276 18186 2124 1 10 . 1 1 45 45 ASP H H 193 7.571 7.571 8.216 -0.645 18186 2125 1 10 . 1 1 46 46 GLN N N 194 124.969 124.969 121.443 3.526 18186 2126 1 10 . 1 1 46 46 GLN HA H 194 3.947 3.947 4.025 -0.078 18186 2127 1 10 . 1 1 46 46 GLN C C 194 178.265 178.265 177.339 0.926 18186 2128 1 10 . 1 1 46 46 GLN CA C 194 58.622 58.622 58.521 0.101 18186 2129 1 10 . 1 1 46 46 GLN CB C 194 28.410 28.410 28.472 -0.062 18186 2130 1 10 . 1 1 46 46 GLN H H 194 8.483 8.483 8.179 0.304 18186 2131 1 10 . 1 1 47 47 ALA N N 195 122.283 122.283 120.836 1.447 18186 2132 1 10 . 1 1 47 47 ALA HA H 195 4.118 4.118 4.133 -0.015 18186 2133 1 10 . 1 1 47 47 ALA C C 195 180.158 180.158 178.806 1.352 18186 2134 1 10 . 1 1 47 47 ALA CA C 195 55.047 55.047 54.359 0.688 18186 2135 1 10 . 1 1 47 47 ALA CB C 195 17.990 17.990 18.029 -0.039 18186 2136 1 10 . 1 1 47 47 ALA H H 195 8.259 8.259 8.331 -0.072 18186 2137 1 10 . 1 1 48 48 ALA N N 196 122.453 122.453 121.562 0.891 18186 2138 1 10 . 1 1 48 48 ALA HA H 196 3.885 3.885 3.945 -0.060 18186 2139 1 10 . 1 1 48 48 ALA C C 196 179.094 179.094 179.106 -0.012 18186 2140 1 10 . 1 1 48 48 ALA CA C 196 54.761 54.761 54.168 0.593 18186 2141 1 10 . 1 1 48 48 ALA CB C 196 18.090 18.090 17.816 0.274 18186 2142 1 10 . 1 1 48 48 ALA H H 196 7.576 7.576 7.461 0.115 18186 2143 1 10 . 1 1 49 49 VAL N N 197 115.834 115.834 119.157 -3.323 18186 2144 1 10 . 1 1 49 49 VAL HA H 197 3.262 3.262 3.412 -0.150 18186 2145 1 10 . 1 1 49 49 VAL C C 197 177.538 177.538 178.143 -0.605 18186 2146 1 10 . 1 1 49 49 VAL CA C 197 67.330 67.330 67.014 0.316 18186 2147 1 10 . 1 1 49 49 VAL CB C 197 32.065 32.065 31.434 0.630 18186 2148 1 10 . 1 1 49 49 VAL H H 197 7.635 7.635 7.765 -0.130 18186 2149 1 10 . 1 1 50 50 ARG N N 198 117.335 117.335 118.562 -1.227 18186 2150 1 10 . 1 1 50 50 ARG HA H 198 3.966 3.966 3.925 0.041 18186 2151 1 10 . 1 1 50 50 ARG C C 198 178.504 178.504 178.804 -0.300 18186 2152 1 10 . 1 1 50 50 ARG CA C 198 59.205 59.205 60.059 -0.855 18186 2153 1 10 . 1 1 50 50 ARG CB C 198 29.917 29.917 29.963 -0.046 18186 2154 1 10 . 1 1 50 50 ARG H H 198 8.022 8.022 7.865 0.157 18186 2155 1 10 . 1 1 51 51 GLN N N 199 117.513 117.513 118.008 -0.495 18186 2156 1 10 . 1 1 51 51 GLN HA H 199 4.079 4.079 3.976 0.103 18186 2157 1 10 . 1 1 51 51 GLN C C 199 179.594 179.594 178.682 0.912 18186 2158 1 10 . 1 1 51 51 GLN CA C 199 59.209 59.209 58.917 0.292 18186 2159 1 10 . 1 1 51 51 GLN CB C 199 29.186 29.186 28.783 0.403 18186 2160 1 10 . 1 1 51 51 GLN H H 199 7.849 7.849 7.834 0.015 18186 2161 1 10 . 1 1 52 52 VAL N N 200 120.041 120.041 117.066 2.975 18186 2162 1 10 . 1 1 52 52 VAL HA H 200 3.984 3.984 3.851 0.133 18186 2163 1 10 . 1 1 52 52 VAL C C 200 177.885 177.885 177.475 0.410 18186 2164 1 10 . 1 1 52 52 VAL CA C 200 67.197 67.197 65.479 1.718 18186 2165 1 10 . 1 1 52 52 VAL CB C 200 31.849 31.849 30.988 0.861 18186 2166 1 10 . 1 1 52 52 VAL H H 200 8.189 8.189 8.288 -0.099 18186 2167 1 10 . 1 1 53 53 MET N N 201 118.360 118.360 121.273 -2.913 18186 2168 1 10 . 1 1 53 53 MET HA H 201 4.384 4.384 4.182 0.202 18186 2169 1 10 . 1 1 53 53 MET C C 201 178.909 178.909 178.109 0.800 18186 2170 1 10 . 1 1 53 53 MET CA C 201 56.727 56.727 59.708 -2.981 18186 2171 1 10 . 1 1 53 53 MET CB C 201 30.041 30.041 32.471 -2.430 18186 2172 1 10 . 1 1 53 53 MET H H 201 8.824 8.824 8.202 0.622 18186 2173 1 10 . 1 1 54 54 GLU N N 202 117.888 117.888 119.028 -1.140 18186 2174 1 10 . 1 1 54 54 GLU HA H 202 3.971 3.971 4.200 -0.229 18186 2175 1 10 . 1 1 54 54 GLU C C 202 179.317 179.317 179.180 0.137 18186 2176 1 10 . 1 1 54 54 GLU CA C 202 59.753 59.753 58.975 0.778 18186 2177 1 10 . 1 1 54 54 GLU CB C 202 29.433 29.433 29.273 0.160 18186 2178 1 10 . 1 1 54 54 GLU H H 202 8.610 8.610 8.270 0.340 18186 2179 1 10 . 1 1 55 55 ARG N N 203 120.547 120.547 120.899 -0.352 18186 2180 1 10 . 1 1 55 55 ARG HA H 203 4.137 4.137 4.173 -0.036 18186 2181 1 10 . 1 1 55 55 ARG C C 203 178.586 178.586 178.847 -0.261 18186 2182 1 10 . 1 1 55 55 ARG CA C 203 59.981 59.981 59.181 0.800 18186 2183 1 10 . 1 1 55 55 ARG CB C 203 29.915 29.915 30.326 -0.411 18186 2184 1 10 . 1 1 55 55 ARG H H 203 7.585 7.585 7.756 -0.171 18186 2185 1 10 . 1 1 56 56 LEU N N 204 119.246 119.246 120.510 -1.264 18186 2186 1 10 . 1 1 56 56 LEU HA H 204 4.741 4.741 4.105 0.636 18186 2187 1 10 . 1 1 56 56 LEU C C 204 180.650 180.650 179.283 1.367 18186 2188 1 10 . 1 1 56 56 LEU CA C 204 58.247 58.247 58.136 0.111 18186 2189 1 10 . 1 1 56 56 LEU CB C 204 43.834 43.834 42.000 1.834 18186 2190 1 10 . 1 1 56 56 LEU H H 204 9.150 9.150 8.469 0.681 18186 2191 1 10 . 1 1 57 57 GLN N N 205 117.821 117.821 118.055 -0.234 18186 2192 1 10 . 1 1 57 57 GLN HA H 205 3.836 3.836 3.673 0.163 18186 2193 1 10 . 1 1 57 57 GLN C C 205 179.341 179.341 178.288 1.053 18186 2194 1 10 . 1 1 57 57 GLN CA C 205 59.618 59.618 59.000 0.618 18186 2195 1 10 . 1 1 57 57 GLN CB C 205 28.153 28.153 28.052 0.101 18186 2196 1 10 . 1 1 57 57 GLN H H 205 8.529 8.529 8.174 0.355 18186 2197 1 10 . 1 1 58 58 LYS N N 206 122.702 122.702 120.587 2.115 18186 2198 1 10 . 1 1 58 58 LYS HA H 206 4.176 4.176 3.960 0.216 18186 2199 1 10 . 1 1 58 58 LYS C C 206 180.260 180.260 179.210 1.050 18186 2200 1 10 . 1 1 58 58 LYS CA C 206 59.400 59.400 59.353 0.047 18186 2201 1 10 . 1 1 58 58 LYS CB C 206 32.555 32.555 32.300 0.255 18186 2202 1 10 . 1 1 58 58 LYS H H 206 8.449 8.449 8.024 0.425 18186 2203 1 10 . 1 1 59 59 GLY N N 207 108.195 108.195 106.698 1.497 18186 2204 1 10 . 1 1 59 59 GLY C C 207 175.772 175.772 175.713 0.059 18186 2205 1 10 . 1 1 59 59 GLY CA C 207 48.776 48.776 46.875 1.901 18186 2206 1 10 . 1 1 59 59 GLY H H 207 8.980 8.980 8.422 0.557 18186 2207 1 10 . 1 1 60 60 TRP N N 208 122.252 122.252 122.935 -0.683 18186 2208 1 10 . 1 1 60 60 TRP HA H 208 4.317 4.317 4.465 -0.148 18186 2209 1 10 . 1 1 60 60 TRP C C 208 178.892 178.892 177.053 1.839 18186 2210 1 10 . 1 1 60 60 TRP CA C 208 61.295 61.295 60.461 0.834 18186 2211 1 10 . 1 1 60 60 TRP CB C 208 30.038 30.038 29.666 0.372 18186 2212 1 10 . 1 1 60 60 TRP H H 208 8.539 8.539 8.320 0.219 18186 2213 1 10 . 1 1 61 61 SER N N 209 111.947 111.947 113.202 -1.255 18186 2214 1 10 . 1 1 61 61 SER HA H 209 4.350 4.350 4.395 -0.045 18186 2215 1 10 . 1 1 61 61 SER C C 209 175.979 175.979 176.469 -0.490 18186 2216 1 10 . 1 1 61 61 SER CA C 209 61.244 61.244 60.741 0.503 18186 2217 1 10 . 1 1 61 61 SER CB C 209 63.501 63.501 63.254 0.247 18186 2218 1 10 . 1 1 61 61 SER H H 209 7.506 7.506 7.847 -0.341 18186 2219 1 10 . 1 1 62 62 LEU N N 210 121.081 121.081 121.413 -0.332 18186 2220 1 10 . 1 1 62 62 LEU HA H 210 4.265 4.265 4.318 -0.053 18186 2221 1 10 . 1 1 62 62 LEU C C 210 177.971 177.971 178.246 -0.275 18186 2222 1 10 . 1 1 62 62 LEU CA C 210 56.547 56.547 56.678 -0.131 18186 2223 1 10 . 1 1 62 62 LEU CB C 210 43.115 43.115 42.313 0.802 18186 2224 1 10 . 1 1 62 62 LEU H H 210 7.847 7.847 7.731 0.116 18186 2225 1 10 . 1 1 63 63 ALA N N 211 121.059 121.059 120.835 0.224 18186 2226 1 10 . 1 1 63 63 ALA HA H 211 4.235 4.235 4.192 0.043 18186 2227 1 10 . 1 1 63 63 ALA C C 211 174.771 174.771 176.896 -2.125 18186 2228 1 10 . 1 1 63 63 ALA CA C 211 51.860 51.860 52.496 -0.636 18186 2229 1 10 . 1 1 63 63 ALA CB C 211 19.824 19.824 18.740 1.084 18186 2230 1 10 . 1 1 63 63 ALA H H 211 7.805 7.805 7.973 -0.168 18186 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 37 2.107 0.250 2.121 18186 2 1 1 "Average Difference" HA 39 0.230 0.027 0.231 18186 3 1 1 "Average Difference" C 37 0.903 -0.240 0.882 18186 4 1 1 "Average Difference" CA 38 0.755 -0.241 0.725 18186 5 1 1 "Average Difference" CB 37 0.884 -0.086 0.892 18186 6 1 1 "Average Difference" HN 37 0.395 -0.067 0.394 18186 7 1 2 "Average Difference" N 37 2.036 0.249 2.049 18186 8 1 2 "Average Difference" HA 39 0.234 0.028 0.235 18186 9 1 2 "Average Difference" C 37 0.834 -0.149 0.832 18186 10 1 2 "Average Difference" CA 38 0.769 -0.276 0.727 18186 11 1 2 "Average Difference" CB 37 0.933 -0.114 0.938 18186 12 1 2 "Average Difference" HN 37 0.405 -0.085 0.401 18186 13 1 3 "Average Difference" N 37 2.080 0.269 2.091 18186 14 1 3 "Average Difference" HA 39 0.234 0.024 0.236 18186 15 1 3 "Average Difference" C 37 0.921 -0.232 0.904 18186 16 1 3 "Average Difference" CA 38 0.894 -0.231 0.875 18186 17 1 3 "Average Difference" CB 37 1.010 -0.052 1.023 18186 18 1 3 "Average Difference" HN 37 0.388 -0.075 0.386 18186 19 1 4 "Average Difference" N 37 1.854 0.278 1.858 18186 20 1 4 "Average Difference" HA 39 0.223 0.032 0.224 18186 21 1 4 "Average Difference" C 37 0.906 -0.253 0.882 18186 22 1 4 "Average Difference" CA 38 0.800 -0.342 0.733 18186 23 1 4 "Average Difference" CB 37 0.941 -0.110 0.947 18186 24 1 4 "Average Difference" HN 37 0.392 -0.077 0.390 18186 25 1 5 "Average Difference" N 37 1.790 0.215 1.802 18186 26 1 5 "Average Difference" HA 39 0.232 0.031 0.233 18186 27 1 5 "Average Difference" C 37 0.849 -0.242 0.825 18186 28 1 5 "Average Difference" CA 38 0.810 -0.271 0.773 18186 29 1 5 "Average Difference" CB 37 1.042 -0.061 1.055 18186 30 1 5 "Average Difference" HN 37 0.386 -0.063 0.386 18186 31 1 6 "Average Difference" N 37 2.005 0.068 2.032 18186 32 1 6 "Average Difference" HA 39 0.228 0.018 0.230 18186 33 1 6 "Average Difference" C 37 0.861 -0.225 0.842 18186 34 1 6 "Average Difference" CA 38 0.746 -0.250 0.712 18186 35 1 6 "Average Difference" CB 37 0.844 -0.116 0.848 18186 36 1 6 "Average Difference" HN 37 0.399 -0.074 0.397 18186 37 1 7 "Average Difference" N 37 2.205 -0.121 2.232 18186 38 1 7 "Average Difference" HA 39 0.236 0.009 0.239 18186 39 1 7 "Average Difference" C 37 0.895 -0.245 0.872 18186 40 1 7 "Average Difference" CA 38 0.843 -0.256 0.814 18186 41 1 7 "Average Difference" CB 37 0.914 -0.024 0.927 18186 42 1 7 "Average Difference" HN 37 0.390 -0.101 0.382 18186 43 1 8 "Average Difference" N 37 2.061 0.148 2.084 18186 44 1 8 "Average Difference" HA 39 0.221 0.016 0.223 18186 45 1 8 "Average Difference" C 37 0.861 -0.208 0.847 18186 46 1 8 "Average Difference" CA 38 0.764 -0.225 0.740 18186 47 1 8 "Average Difference" CB 37 0.929 -0.168 0.926 18186 48 1 8 "Average Difference" HN 37 0.378 -0.069 0.377 18186 49 1 9 "Average Difference" N 37 2.009 0.219 2.024 18186 50 1 9 "Average Difference" HA 39 0.221 0.004 0.224 18186 51 1 9 "Average Difference" C 37 0.889 -0.183 0.882 18186 52 1 9 "Average Difference" CA 38 0.805 -0.224 0.783 18186 53 1 9 "Average Difference" CB 37 0.895 -0.097 0.902 18186 54 1 9 "Average Difference" HN 37 0.389 -0.051 0.391 18186 55 1 10 "Average Difference" N 37 2.136 0.239 2.152 18186 56 1 10 "Average Difference" HA 39 0.223 0.026 0.224 18186 57 1 10 "Average Difference" C 37 0.836 -0.179 0.828 18186 58 1 10 "Average Difference" CA 38 0.908 -0.204 0.896 18186 59 1 10 "Average Difference" CB 37 0.920 -0.102 0.927 18186 60 1 10 "Average Difference" HN 37 0.373 -0.071 0.372 18186 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 18186 _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 26 26 GLU N N 174 123.201 123.201 122.196 1.005 18186 2 1 . 1 1 26 26 GLU HA H 174 4.422 4.422 4.598 -0.176 18186 3 1 . 1 1 26 26 GLU C C 174 176.498 176.498 175.707 0.791 18186 4 1 . 1 1 26 26 GLU CA C 174 55.987 55.987 56.122 -0.135 18186 5 1 . 1 1 26 26 GLU CB C 174 30.674 30.674 29.545 1.129 18186 6 1 . 1 1 26 26 GLU H H 174 8.463 8.463 8.661 -0.198 18186 7 1 . 1 1 27 27 LEU N N 175 125.204 125.204 122.854 2.350 18186 8 1 . 1 1 27 27 LEU HA H 175 4.464 4.464 4.536 -0.072 18186 9 1 . 1 1 27 27 LEU C C 175 176.514 176.514 176.401 0.113 18186 10 1 . 1 1 27 27 LEU CA C 175 55.039 55.039 54.758 0.281 18186 11 1 . 1 1 27 27 LEU CB C 175 42.868 42.868 43.293 -0.425 18186 12 1 . 1 1 27 27 LEU H H 175 8.479 8.479 7.804 0.675 18186 13 1 . 1 1 28 28 THR N N 176 117.260 117.260 117.940 -0.680 18186 14 1 . 1 1 28 28 THR HA H 176 4.430 4.430 4.598 -0.168 18186 15 1 . 1 1 28 28 THR C C 176 173.007 173.007 173.336 -0.329 18186 16 1 . 1 1 28 28 THR CA C 176 61.148 61.148 61.810 -0.662 18186 17 1 . 1 1 28 28 THR CB C 176 70.400 70.400 69.725 0.675 18186 18 1 . 1 1 28 28 THR H H 176 8.363 8.363 8.248 0.115 18186 19 1 . 1 1 29 29 VAL N N 177 124.841 124.841 125.219 -0.378 18186 20 1 . 1 1 29 29 VAL HA H 177 3.604 3.604 4.010 -0.406 18186 21 1 . 1 1 29 29 VAL CA C 177 59.318 59.318 57.854 1.464 18186 22 1 . 1 1 29 29 VAL CB C 177 33.054 33.054 32.267 0.787 18186 23 1 . 1 1 29 29 VAL H H 177 7.950 7.950 8.052 -0.102 18186 24 1 . 1 1 30 30 PRO HA H 178 4.797 4.797 4.445 0.353 18186 25 1 . 1 1 30 30 PRO C C 178 175.813 175.813 176.503 -0.690 18186 26 1 . 1 1 30 30 PRO CA C 178 60.737 60.737 62.639 -1.902 18186 27 1 . 1 1 30 30 PRO CB C 178 28.074 28.074 30.351 -2.277 18186 28 1 . 1 1 31 31 TRP N N 179 125.415 125.415 124.611 0.804 18186 29 1 . 1 1 31 31 TRP HA H 179 4.179 4.179 4.219 -0.040 18186 30 1 . 1 1 31 31 TRP C C 179 177.545 177.545 177.674 -0.129 18186 31 1 . 1 1 31 31 TRP CA C 179 60.702 60.702 60.314 0.388 18186 32 1 . 1 1 31 31 TRP CB C 179 30.098 30.098 29.247 0.851 18186 33 1 . 1 1 31 31 TRP H H 179 7.898 7.898 7.835 0.063 18186 34 1 . 1 1 32 32 ASP N N 180 117.166 117.166 120.030 -2.864 18186 35 1 . 1 1 32 32 ASP HA H 180 4.480 4.480 4.391 0.089 18186 36 1 . 1 1 32 32 ASP C C 180 179.109 179.109 177.665 1.445 18186 37 1 . 1 1 32 32 ASP CA C 180 57.553 57.553 58.043 -0.490 18186 38 1 . 1 1 32 32 ASP CB C 180 39.449 39.449 40.165 -0.716 18186 39 1 . 1 1 32 32 ASP H H 180 8.740 8.740 8.616 0.124 18186 40 1 . 1 1 33 33 ASP N N 181 121.203 121.203 119.990 1.213 18186 41 1 . 1 1 33 33 ASP HA H 181 4.493 4.493 4.436 0.057 18186 42 1 . 1 1 33 33 ASP C C 181 179.288 179.288 178.641 0.647 18186 43 1 . 1 1 33 33 ASP CA C 181 57.069 57.069 57.248 -0.179 18186 44 1 . 1 1 33 33 ASP CB C 181 40.808 40.808 40.568 0.241 18186 45 1 . 1 1 33 33 ASP H H 181 7.713 7.713 8.448 -0.735 18186 46 1 . 1 1 34 34 ILE N N 182 122.718 122.718 120.426 2.292 18186 47 1 . 1 1 34 34 ILE HA H 182 3.479 3.479 3.644 -0.165 18186 48 1 . 1 1 34 34 ILE C C 182 176.679 176.679 177.446 -0.767 18186 49 1 . 1 1 34 34 ILE CA C 182 65.867 65.867 65.317 0.550 18186 50 1 . 1 1 34 34 ILE CB C 182 37.745 37.745 37.981 -0.236 18186 51 1 . 1 1 34 34 ILE H H 182 7.979 7.979 8.207 -0.228 18186 52 1 . 1 1 35 35 GLU N N 183 122.734 122.734 120.699 2.035 18186 53 1 . 1 1 35 35 GLU HA H 183 3.856 3.856 3.974 -0.118 18186 54 1 . 1 1 35 35 GLU C C 183 178.061 178.061 178.841 -0.780 18186 55 1 . 1 1 35 35 GLU CA C 183 61.190 61.190 59.776 1.414 18186 56 1 . 1 1 35 35 GLU CB C 183 29.306 29.306 29.600 -0.294 18186 57 1 . 1 1 35 35 GLU H H 183 8.938 8.938 8.247 0.691 18186 58 1 . 1 1 36 36 ALA N N 184 119.761 119.761 121.784 -2.023 18186 59 1 . 1 1 36 36 ALA HA H 184 4.022 4.022 4.105 -0.083 18186 60 1 . 1 1 36 36 ALA C C 184 180.257 180.257 179.460 0.798 18186 61 1 . 1 1 36 36 ALA CA C 184 55.378 55.378 55.069 0.308 18186 62 1 . 1 1 36 36 ALA CB C 184 18.118 18.118 18.428 -0.310 18186 63 1 . 1 1 36 36 ALA H H 184 7.675 7.675 7.888 -0.213 18186 64 1 . 1 1 37 37 LEU N N 185 120.850 120.850 120.620 0.230 18186 65 1 . 1 1 37 37 LEU HA H 185 4.168 4.168 4.169 -0.001 18186 66 1 . 1 1 37 37 LEU C C 185 179.866 179.866 178.758 1.108 18186 67 1 . 1 1 37 37 LEU CA C 185 58.236 58.236 57.909 0.327 18186 68 1 . 1 1 37 37 LEU CB C 185 41.824 41.824 42.063 -0.239 18186 69 1 . 1 1 37 37 LEU H H 185 7.563 7.563 7.738 -0.175 18186 70 1 . 1 1 38 38 LEU N N 186 120.391 120.391 118.908 1.483 18186 71 1 . 1 1 38 38 LEU HA H 186 3.677 3.677 4.155 -0.478 18186 72 1 . 1 1 38 38 LEU C C 186 178.449 178.449 179.372 -0.923 18186 73 1 . 1 1 38 38 LEU CA C 186 57.844 57.844 57.482 0.362 18186 74 1 . 1 1 38 38 LEU CB C 186 41.641 41.641 40.599 1.042 18186 75 1 . 1 1 38 38 LEU H H 186 8.633 8.633 8.639 -0.005 18186 76 1 . 1 1 39 39 LYS N N 187 119.670 119.670 120.722 -1.052 18186 77 1 . 1 1 39 39 LYS HA H 187 3.778 3.778 3.994 -0.216 18186 78 1 . 1 1 39 39 LYS C C 187 178.295 178.295 178.269 0.026 18186 79 1 . 1 1 39 39 LYS CA C 187 60.595 60.595 60.058 0.537 18186 80 1 . 1 1 39 39 LYS CB C 187 32.354 32.354 32.426 -0.071 18186 81 1 . 1 1 39 39 LYS H H 187 8.641 8.641 8.242 0.399 18186 82 1 . 1 1 40 40 ASN N N 188 115.677 115.677 116.878 -1.201 18186 83 1 . 1 1 40 40 ASN HA H 188 4.529 4.529 4.487 0.042 18186 84 1 . 1 1 40 40 ASN C C 188 177.759 177.759 178.521 -0.762 18186 85 1 . 1 1 40 40 ASN CA C 188 55.888 55.888 56.070 -0.182 18186 86 1 . 1 1 40 40 ASN CB C 188 38.679 38.679 38.520 0.159 18186 87 1 . 1 1 40 40 ASN H H 188 7.411 7.411 8.130 -0.719 18186 88 1 . 1 1 41 41 ASN N N 189 119.819 119.819 117.888 1.931 18186 89 1 . 1 1 41 41 ASN HA H 189 4.279 4.279 4.460 -0.181 18186 90 1 . 1 1 41 41 ASN C C 189 176.175 176.175 175.754 0.421 18186 91 1 . 1 1 41 41 ASN CA C 189 56.664 56.664 55.609 1.055 18186 92 1 . 1 1 41 41 ASN CB C 189 39.680 39.680 38.658 1.022 18186 93 1 . 1 1 41 41 ASN H H 189 8.367 8.367 8.247 0.120 18186 94 1 . 1 1 42 42 PHE N N 190 115.910 115.910 116.927 -1.016 18186 95 1 . 1 1 42 42 PHE HA H 190 4.960 4.960 4.813 0.147 18186 96 1 . 1 1 42 42 PHE C C 190 175.606 175.606 174.994 0.612 18186 97 1 . 1 1 42 42 PHE CA C 190 55.918 55.918 56.122 -0.204 18186 98 1 . 1 1 42 42 PHE CB C 190 37.143 37.143 38.543 -1.400 18186 99 1 . 1 1 42 42 PHE H H 190 8.424 8.424 7.919 0.505 18186 100 1 . 1 1 43 43 GLU N N 191 119.788 119.788 121.720 -1.932 18186 101 1 . 1 1 43 43 GLU HA H 191 4.003 4.003 4.070 -0.067 18186 102 1 . 1 1 43 43 GLU C C 191 176.533 176.533 175.966 0.567 18186 103 1 . 1 1 43 43 GLU CA C 191 57.986 57.986 58.055 -0.069 18186 104 1 . 1 1 43 43 GLU CB C 191 27.992 27.992 27.332 0.660 18186 105 1 . 1 1 43 43 GLU H H 191 7.813 7.813 8.035 -0.223 18186 106 1 . 1 1 44 44 ASN N N 192 111.889 111.889 117.452 -5.563 18186 107 1 . 1 1 44 44 ASN HA H 192 4.257 4.257 4.743 -0.486 18186 108 1 . 1 1 44 44 ASN C C 192 174.399 174.399 174.109 0.290 18186 109 1 . 1 1 44 44 ASN CA C 192 54.532 54.532 54.087 0.445 18186 110 1 . 1 1 44 44 ASN CB C 192 37.989 37.989 40.381 -2.391 18186 111 1 . 1 1 44 44 ASN H H 192 9.162 9.162 8.669 0.493 18186 112 1 . 1 1 45 45 ASP N N 193 118.609 118.609 122.713 -4.104 18186 113 1 . 1 1 45 45 ASP HA H 193 4.773 4.773 4.941 -0.168 18186 114 1 . 1 1 45 45 ASP C C 193 175.994 175.994 176.223 -0.230 18186 115 1 . 1 1 45 45 ASP CA C 193 53.393 53.393 53.325 0.068 18186 116 1 . 1 1 45 45 ASP CB C 193 40.525 40.525 40.621 -0.097 18186 117 1 . 1 1 45 45 ASP H H 193 7.571 7.571 8.212 -0.641 18186 118 1 . 1 1 46 46 GLN N N 194 124.969 124.969 122.134 2.835 18186 119 1 . 1 1 46 46 GLN HA H 194 3.947 3.947 4.039 -0.093 18186 120 1 . 1 1 46 46 GLN C C 194 178.265 178.265 177.546 0.719 18186 121 1 . 1 1 46 46 GLN CA C 194 58.622 58.622 58.591 0.031 18186 122 1 . 1 1 46 46 GLN CB C 194 28.410 28.410 28.494 -0.084 18186 123 1 . 1 1 46 46 GLN H H 194 8.483 8.483 8.356 0.127 18186 124 1 . 1 1 47 47 ALA N N 195 122.283 122.283 120.966 1.317 18186 125 1 . 1 1 47 47 ALA HA H 195 4.118 4.118 3.958 0.160 18186 126 1 . 1 1 47 47 ALA C C 195 180.158 180.158 178.625 1.533 18186 127 1 . 1 1 47 47 ALA CA C 195 55.047 55.047 54.671 0.376 18186 128 1 . 1 1 47 47 ALA CB C 195 17.990 17.990 17.991 -0.001 18186 129 1 . 1 1 47 47 ALA H H 195 8.259 8.259 8.536 -0.277 18186 130 1 . 1 1 48 48 ALA N N 196 122.453 122.453 121.299 1.154 18186 131 1 . 1 1 48 48 ALA HA H 196 3.885 3.885 3.931 -0.046 18186 132 1 . 1 1 48 48 ALA C C 196 179.094 179.094 179.197 -0.103 18186 133 1 . 1 1 48 48 ALA CA C 196 54.761 54.761 54.303 0.458 18186 134 1 . 1 1 48 48 ALA CB C 196 18.090 18.090 17.770 0.320 18186 135 1 . 1 1 48 48 ALA H H 196 7.576 7.576 7.382 0.194 18186 136 1 . 1 1 49 49 VAL N N 197 115.834 115.834 119.023 -3.189 18186 137 1 . 1 1 49 49 VAL HA H 197 3.262 3.262 3.457 -0.195 18186 138 1 . 1 1 49 49 VAL C C 197 177.538 177.538 178.129 -0.591 18186 139 1 . 1 1 49 49 VAL CA C 197 67.330 67.330 66.949 0.381 18186 140 1 . 1 1 49 49 VAL CB C 197 32.065 32.065 31.117 0.948 18186 141 1 . 1 1 49 49 VAL H H 197 7.635 7.635 7.647 -0.013 18186 142 1 . 1 1 50 50 ARG N N 198 117.335 117.335 118.789 -1.454 18186 143 1 . 1 1 50 50 ARG HA H 198 3.966 3.966 3.891 0.075 18186 144 1 . 1 1 50 50 ARG C C 198 178.504 178.504 178.891 -0.387 18186 145 1 . 1 1 50 50 ARG CA C 198 59.205 59.205 60.144 -0.939 18186 146 1 . 1 1 50 50 ARG CB C 198 29.917 29.917 29.903 0.014 18186 147 1 . 1 1 50 50 ARG H H 198 8.022 8.022 8.018 0.004 18186 148 1 . 1 1 51 51 GLN N N 199 117.513 117.513 118.032 -0.519 18186 149 1 . 1 1 51 51 GLN HA H 199 4.079 4.079 3.999 0.080 18186 150 1 . 1 1 51 51 GLN C C 199 179.594 179.594 178.757 0.837 18186 151 1 . 1 1 51 51 GLN CA C 199 59.209 59.209 58.898 0.311 18186 152 1 . 1 1 51 51 GLN CB C 199 29.186 29.186 28.730 0.456 18186 153 1 . 1 1 51 51 GLN H H 199 7.849 7.849 7.866 -0.017 18186 154 1 . 1 1 52 52 VAL N N 200 120.041 120.041 117.033 3.008 18186 155 1 . 1 1 52 52 VAL HA H 200 3.984 3.984 3.831 0.153 18186 156 1 . 1 1 52 52 VAL C C 200 177.885 177.885 177.755 0.130 18186 157 1 . 1 1 52 52 VAL CA C 200 67.197 67.197 65.749 1.448 18186 158 1 . 1 1 52 52 VAL CB C 200 31.849 31.849 31.387 0.463 18186 159 1 . 1 1 52 52 VAL H H 200 8.189 8.189 8.221 -0.032 18186 160 1 . 1 1 53 53 MET N N 201 118.360 118.360 120.329 -1.969 18186 161 1 . 1 1 53 53 MET HA H 201 4.384 4.384 4.270 0.114 18186 162 1 . 1 1 53 53 MET C C 201 178.909 178.909 178.581 0.328 18186 163 1 . 1 1 53 53 MET CA C 201 56.727 56.727 58.165 -1.438 18186 164 1 . 1 1 53 53 MET CB C 201 30.041 30.041 31.625 -1.584 18186 165 1 . 1 1 53 53 MET H H 201 8.824 8.824 8.204 0.620 18186 166 1 . 1 1 54 54 GLU N N 202 117.888 117.888 118.893 -1.005 18186 167 1 . 1 1 54 54 GLU HA H 202 3.971 3.971 4.065 -0.094 18186 168 1 . 1 1 54 54 GLU C C 202 179.317 179.317 179.101 0.216 18186 169 1 . 1 1 54 54 GLU CA C 202 59.753 59.753 58.979 0.774 18186 170 1 . 1 1 54 54 GLU CB C 202 29.433 29.433 29.318 0.115 18186 171 1 . 1 1 54 54 GLU H H 202 8.610 8.610 8.374 0.236 18186 172 1 . 1 1 55 55 ARG N N 203 120.547 120.547 121.038 -0.491 18186 173 1 . 1 1 55 55 ARG HA H 203 4.137 4.137 4.182 -0.045 18186 174 1 . 1 1 55 55 ARG C C 203 178.586 178.586 178.709 -0.123 18186 175 1 . 1 1 55 55 ARG CA C 203 59.981 59.981 59.091 0.890 18186 176 1 . 1 1 55 55 ARG CB C 203 29.915 29.915 30.245 -0.330 18186 177 1 . 1 1 55 55 ARG H H 203 7.585 7.585 7.745 -0.160 18186 178 1 . 1 1 56 56 LEU N N 204 119.246 119.246 120.543 -1.297 18186 179 1 . 1 1 56 56 LEU HA H 204 4.741 4.741 4.093 0.648 18186 180 1 . 1 1 56 56 LEU C C 204 180.650 180.650 179.269 1.381 18186 181 1 . 1 1 56 56 LEU CA C 204 58.247 58.247 58.076 0.172 18186 182 1 . 1 1 56 56 LEU CB C 204 43.834 43.834 41.953 1.881 18186 183 1 . 1 1 56 56 LEU H H 204 9.150 9.150 8.451 0.699 18186 184 1 . 1 1 57 57 GLN N N 205 117.821 117.821 118.054 -0.233 18186 185 1 . 1 1 57 57 GLN HA H 205 3.836 3.836 3.565 0.271 18186 186 1 . 1 1 57 57 GLN C C 205 179.341 179.341 178.236 1.105 18186 187 1 . 1 1 57 57 GLN CA C 205 59.618 59.618 58.932 0.686 18186 188 1 . 1 1 57 57 GLN CB C 205 28.153 28.153 28.037 0.116 18186 189 1 . 1 1 57 57 GLN H H 205 8.529 8.529 8.181 0.348 18186 190 1 . 1 1 58 58 LYS N N 206 122.702 122.702 120.622 2.080 18186 191 1 . 1 1 58 58 LYS HA H 206 4.176 4.176 3.976 0.200 18186 192 1 . 1 1 58 58 LYS C C 206 180.260 180.260 179.177 1.084 18186 193 1 . 1 1 58 58 LYS CA C 206 59.400 59.400 59.312 0.088 18186 194 1 . 1 1 58 58 LYS CB C 206 32.555 32.555 32.287 0.268 18186 195 1 . 1 1 58 58 LYS H H 206 8.449 8.449 7.967 0.482 18186 196 1 . 1 1 59 59 GLY N N 207 108.195 108.195 106.751 1.444 18186 197 1 . 1 1 59 59 GLY C C 207 175.772 175.772 175.671 0.101 18186 198 1 . 1 1 59 59 GLY CA C 207 48.776 48.776 46.866 1.910 18186 199 1 . 1 1 59 59 GLY H H 207 8.980 8.980 8.379 0.601 18186 200 1 . 1 1 60 60 TRP N N 208 122.252 122.252 122.947 -0.695 18186 201 1 . 1 1 60 60 TRP HA H 208 4.317 4.317 4.438 -0.121 18186 202 1 . 1 1 60 60 TRP C C 208 178.892 178.892 176.678 2.213 18186 203 1 . 1 1 60 60 TRP CA C 208 61.295 61.295 60.489 0.806 18186 204 1 . 1 1 60 60 TRP CB C 208 30.038 30.038 29.708 0.330 18186 205 1 . 1 1 60 60 TRP H H 208 8.539 8.539 8.289 0.250 18186 206 1 . 1 1 61 61 SER N N 209 111.947 111.947 113.153 -1.206 18186 207 1 . 1 1 61 61 SER HA H 209 4.350 4.350 4.333 0.017 18186 208 1 . 1 1 61 61 SER C C 209 175.979 175.979 176.845 -0.866 18186 209 1 . 1 1 61 61 SER CA C 209 61.244 61.244 60.998 0.246 18186 210 1 . 1 1 61 61 SER CB C 209 63.501 63.501 63.240 0.261 18186 211 1 . 1 1 61 61 SER H H 209 7.506 7.506 7.808 -0.302 18186 212 1 . 1 1 62 62 LEU N N 210 121.081 121.081 121.405 -0.324 18186 213 1 . 1 1 62 62 LEU HA H 210 4.265 4.265 4.269 -0.004 18186 214 1 . 1 1 62 62 LEU C C 210 177.971 177.971 177.835 0.136 18186 215 1 . 1 1 62 62 LEU CA C 210 56.547 56.547 56.618 -0.071 18186 216 1 . 1 1 62 62 LEU CB C 210 43.115 43.115 42.269 0.846 18186 217 1 . 1 1 62 62 LEU H H 210 7.847 7.847 7.725 0.122 18186 218 1 . 1 1 63 63 ALA N N 211 121.059 121.059 119.753 1.306 18186 219 1 . 1 1 63 63 ALA HA H 211 4.235 4.235 4.323 -0.088 18186 220 1 . 1 1 63 63 ALA C C 211 174.771 174.771 176.716 -1.945 18186 221 1 . 1 1 63 63 ALA CA C 211 51.860 51.860 51.781 0.079 18186 222 1 . 1 1 63 63 ALA CB C 211 19.824 19.824 18.511 1.313 18186 223 1 . 1 1 63 63 ALA H H 211 7.805 7.805 7.920 -0.115 18186 stop_ save_