data_18244 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18244 _Entry.PDB_ID 2LPB 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 18244 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ARG HA H 159 4.353 4.353 4.602 -0.249 18244 2 1 1 . 1 1 2 2 ARG C C 159 178.200 178.200 175.789 2.411 18244 3 1 1 . 1 1 2 2 ARG CA C 159 56.300 56.300 55.994 0.306 18244 4 1 1 . 1 1 2 2 ARG CB C 159 30.900 30.900 30.887 0.013 18244 5 1 1 . 1 1 3 3 ARG N N 160 123.623 123.623 122.108 1.515 18244 6 1 1 . 1 1 3 3 ARG HA H 160 4.306 4.306 4.311 -0.005 18244 7 1 1 . 1 1 3 3 ARG C C 160 178.000 178.000 174.513 3.487 18244 8 1 1 . 1 1 3 3 ARG CA C 160 56.100 56.100 56.000 0.100 18244 9 1 1 . 1 1 3 3 ARG CB C 160 31.000 31.000 30.980 0.020 18244 10 1 1 . 1 1 3 3 ARG H H 160 8.558 8.558 8.531 0.027 18244 11 1 1 . 1 1 4 4 GLN N N 161 122.962 122.962 125.074 -2.112 18244 12 1 1 . 1 1 4 4 GLN HA H 161 4.355 4.355 4.646 -0.291 18244 13 1 1 . 1 1 4 4 GLN C C 161 177.900 177.900 174.970 2.930 18244 14 1 1 . 1 1 4 4 GLN CA C 161 55.500 55.500 55.233 0.267 18244 15 1 1 . 1 1 4 4 GLN CB C 161 29.600 29.600 30.019 -0.419 18244 16 1 1 . 1 1 4 4 GLN H H 161 8.515 8.515 8.478 0.037 18244 17 1 1 . 1 1 5 5 LEU N N 162 124.755 124.755 120.850 3.905 18244 18 1 1 . 1 1 5 5 LEU HA H 162 4.577 4.577 4.751 -0.174 18244 19 1 1 . 1 1 5 5 LEU C C 162 180.500 180.500 176.263 4.237 18244 20 1 1 . 1 1 5 5 LEU CA C 162 54.700 54.700 54.872 -0.172 18244 21 1 1 . 1 1 5 5 LEU CB C 162 42.900 42.900 43.062 -0.162 18244 22 1 1 . 1 1 5 5 LEU H H 162 8.480 8.480 8.193 0.287 18244 23 1 1 . 1 1 6 6 THR N N 163 114.727 114.727 117.920 -3.193 18244 24 1 1 . 1 1 6 6 THR HA H 163 4.596 4.596 4.717 -0.121 18244 25 1 1 . 1 1 6 6 THR CA C 163 60.200 60.200 60.311 -0.111 18244 26 1 1 . 1 1 6 6 THR CB C 163 68.200 68.200 69.782 -1.582 18244 27 1 1 . 1 1 6 6 THR H H 163 8.623 8.623 8.147 0.476 18244 28 1 1 . 1 1 7 7 PRO HA H 164 4.263 4.263 4.317 -0.054 18244 29 1 1 . 1 1 7 7 PRO C C 164 181.600 181.600 178.894 2.706 18244 30 1 1 . 1 1 7 7 PRO CA C 164 65.900 65.900 65.588 0.312 18244 31 1 1 . 1 1 7 7 PRO CB C 164 31.600 31.600 32.070 -0.470 18244 32 1 1 . 1 1 8 8 GLN N N 165 116.429 116.429 116.733 -0.304 18244 33 1 1 . 1 1 8 8 GLN HA H 165 4.063 4.063 4.206 -0.143 18244 34 1 1 . 1 1 8 8 GLN C C 165 181.300 181.300 178.646 2.654 18244 35 1 1 . 1 1 8 8 GLN CA C 165 59.500 59.500 58.908 0.592 18244 36 1 1 . 1 1 8 8 GLN CB C 165 28.300 28.300 27.875 0.425 18244 37 1 1 . 1 1 8 8 GLN H H 165 8.439 8.439 8.758 -0.319 18244 38 1 1 . 1 1 9 9 GLN N N 166 120.164 120.164 118.722 1.442 18244 39 1 1 . 1 1 9 9 GLN HA H 166 3.948 3.948 4.052 -0.104 18244 40 1 1 . 1 1 9 9 GLN C C 166 180.600 180.600 177.982 2.618 18244 41 1 1 . 1 1 9 9 GLN CA C 166 58.700 58.700 58.872 -0.172 18244 42 1 1 . 1 1 9 9 GLN CB C 166 29.300 29.300 28.546 0.754 18244 43 1 1 . 1 1 9 9 GLN H H 166 7.760 7.760 7.809 -0.049 18244 44 1 1 . 1 1 10 10 GLN N N 167 119.164 119.164 120.227 -1.063 18244 45 1 1 . 1 1 10 10 GLN HA H 167 3.860 3.860 3.847 0.013 18244 46 1 1 . 1 1 10 10 GLN C C 167 180.300 180.300 178.368 1.932 18244 47 1 1 . 1 1 10 10 GLN CA C 167 58.600 58.600 59.794 -1.194 18244 48 1 1 . 1 1 10 10 GLN CB C 167 29.000 29.000 28.588 0.412 18244 49 1 1 . 1 1 10 10 GLN H H 167 8.787 8.787 8.766 0.021 18244 50 1 1 . 1 1 11 11 GLN N N 168 118.139 118.139 117.265 0.874 18244 51 1 1 . 1 1 11 11 GLN HA H 168 4.111 4.111 4.119 -0.008 18244 52 1 1 . 1 1 11 11 GLN C C 168 180.600 180.600 178.485 2.115 18244 53 1 1 . 1 1 11 11 GLN CA C 168 58.900 58.900 58.386 0.514 18244 54 1 1 . 1 1 11 11 GLN CB C 168 28.500 28.500 28.549 -0.049 18244 55 1 1 . 1 1 11 11 GLN H H 168 7.987 7.987 7.762 0.225 18244 56 1 1 . 1 1 12 12 LEU N N 169 120.649 120.649 117.984 2.665 18244 57 1 1 . 1 1 12 12 LEU HA H 169 4.138 4.138 4.249 -0.111 18244 58 1 1 . 1 1 12 12 LEU C C 169 181.300 181.300 178.894 2.406 18244 59 1 1 . 1 1 12 12 LEU CA C 169 58.100 58.100 57.157 0.943 18244 60 1 1 . 1 1 12 12 LEU CB C 169 41.600 41.600 42.748 -1.148 18244 61 1 1 . 1 1 12 12 LEU H H 169 7.457 7.457 7.558 -0.101 18244 62 1 1 . 1 1 13 13 VAL N N 170 119.772 119.772 115.363 4.409 18244 63 1 1 . 1 1 13 13 VAL HA H 170 3.570 3.570 3.898 -0.328 18244 64 1 1 . 1 1 13 13 VAL C C 170 180.700 180.700 177.792 2.908 18244 65 1 1 . 1 1 13 13 VAL CA C 170 66.700 66.700 65.156 1.544 18244 66 1 1 . 1 1 13 13 VAL CB C 170 31.700 31.700 31.738 -0.038 18244 67 1 1 . 1 1 13 13 VAL H H 170 8.101 8.101 8.364 -0.263 18244 68 1 1 . 1 1 14 14 ASN N N 171 118.278 118.278 117.344 0.934 18244 69 1 1 . 1 1 14 14 ASN HA H 171 4.454 4.454 4.602 -0.148 18244 70 1 1 . 1 1 14 14 ASN C C 171 180.800 180.800 177.664 3.136 18244 71 1 1 . 1 1 14 14 ASN CA C 171 56.000 56.000 55.510 0.490 18244 72 1 1 . 1 1 14 14 ASN CB C 171 37.600 37.600 38.642 -1.042 18244 73 1 1 . 1 1 14 14 ASN H H 171 8.253 8.253 8.360 -0.107 18244 74 1 1 . 1 1 15 15 GLN N N 172 120.079 120.079 118.917 1.162 18244 75 1 1 . 1 1 15 15 GLN HA H 172 4.152 4.152 4.226 -0.074 18244 76 1 1 . 1 1 15 15 GLN C C 172 181.100 181.100 177.714 3.386 18244 77 1 1 . 1 1 15 15 GLN CA C 172 58.600 58.600 57.882 0.718 18244 78 1 1 . 1 1 15 15 GLN CB C 172 28.800 28.800 28.253 0.547 18244 79 1 1 . 1 1 15 15 GLN H H 172 8.112 8.112 8.009 0.103 18244 80 1 1 . 1 1 16 16 MET N N 173 118.323 118.323 117.397 0.926 18244 81 1 1 . 1 1 16 16 MET HA H 173 4.266 4.266 4.294 -0.028 18244 82 1 1 . 1 1 16 16 MET C C 173 180.300 180.300 177.283 3.017 18244 83 1 1 . 1 1 16 16 MET CA C 173 57.300 57.300 55.420 1.880 18244 84 1 1 . 1 1 16 16 MET CB C 173 31.400 31.400 31.401 -0.001 18244 85 1 1 . 1 1 16 16 MET H H 173 8.371 8.371 7.467 0.904 18244 86 1 1 . 1 1 17 17 LYS N N 174 117.179 117.179 118.814 -1.635 18244 87 1 1 . 1 1 17 17 LYS HA H 174 4.450 4.450 4.180 0.270 18244 88 1 1 . 1 1 17 17 LYS C C 174 178.400 178.400 177.513 0.887 18244 89 1 1 . 1 1 17 17 LYS CA C 174 55.800 55.800 58.652 -2.852 18244 90 1 1 . 1 1 17 17 LYS CB C 174 33.600 33.600 33.087 0.513 18244 91 1 1 . 1 1 17 17 LYS H H 174 7.798 7.798 7.513 0.285 18244 92 1 1 . 1 1 18 18 VAL N N 175 135.773 135.773 119.988 15.785 18244 93 1 1 . 1 1 18 18 VAL HA H 175 4.674 4.674 4.293 0.381 18244 94 1 1 . 1 1 18 18 VAL C C 175 177.700 177.700 174.456 3.244 18244 95 1 1 . 1 1 18 18 VAL CA C 175 60.100 60.100 61.032 -0.932 18244 96 1 1 . 1 1 18 18 VAL CB C 175 33.200 33.200 30.498 2.702 18244 97 1 1 . 1 1 18 18 VAL H H 175 6.894 6.894 7.595 -0.701 18244 98 1 1 . 1 1 19 19 ALA N N 176 127.267 127.267 130.549 -3.282 18244 99 1 1 . 1 1 19 19 ALA HA H 176 4.653 4.653 4.908 -0.255 18244 100 1 1 . 1 1 19 19 ALA CA C 176 50.200 50.200 49.623 0.577 18244 101 1 1 . 1 1 19 19 ALA CB C 176 18.800 18.800 20.994 -2.193 18244 102 1 1 . 1 1 19 19 ALA H H 176 7.508 7.508 8.127 -0.619 18244 103 1 1 . 1 1 20 20 PRO HA H 177 4.439 4.439 5.062 -0.623 18244 104 1 1 . 1 1 20 20 PRO C C 177 179.700 179.700 176.100 3.600 18244 105 1 1 . 1 1 20 20 PRO CA C 177 62.900 62.900 61.529 1.371 18244 106 1 1 . 1 1 20 20 PRO CB C 177 31.400 31.400 32.380 -0.980 18244 107 1 1 . 1 1 21 21 ILE N N 178 128.957 128.957 123.721 5.236 18244 108 1 1 . 1 1 21 21 ILE HA H 178 3.571 3.571 3.509 0.062 18244 109 1 1 . 1 1 21 21 ILE CA C 178 59.700 59.700 60.320 -0.620 18244 110 1 1 . 1 1 21 21 ILE CB C 178 39.300 39.300 36.783 2.517 18244 111 1 1 . 1 1 21 21 ILE H H 178 8.659 8.659 8.319 0.340 18244 112 1 1 . 1 1 22 22 PRO HA H 179 4.298 4.298 4.370 -0.072 18244 113 1 1 . 1 1 22 22 PRO C C 179 180.600 180.600 177.309 3.291 18244 114 1 1 . 1 1 22 22 PRO CA C 179 62.900 62.900 62.123 0.777 18244 115 1 1 . 1 1 22 22 PRO CB C 179 32.600 32.600 32.469 0.131 18244 116 1 1 . 1 1 23 23 LYS N N 180 126.052 126.052 121.351 4.701 18244 117 1 1 . 1 1 23 23 LYS HA H 180 3.848 3.848 3.942 -0.094 18244 118 1 1 . 1 1 23 23 LYS C C 180 180.300 180.300 178.902 1.398 18244 119 1 1 . 1 1 23 23 LYS CA C 180 60.200 60.200 59.928 0.272 18244 120 1 1 . 1 1 23 23 LYS CB C 180 32.400 32.400 31.991 0.409 18244 121 1 1 . 1 1 23 23 LYS H H 180 8.871 8.871 8.536 0.335 18244 122 1 1 . 1 1 24 24 GLN N N 181 115.658 115.658 117.311 -1.653 18244 123 1 1 . 1 1 24 24 GLN HA H 181 4.102 4.102 4.101 0.001 18244 124 1 1 . 1 1 24 24 GLN C C 181 179.000 179.000 178.199 0.801 18244 125 1 1 . 1 1 24 24 GLN CA C 181 58.600 58.600 58.706 -0.106 18244 126 1 1 . 1 1 24 24 GLN CB C 181 27.400 27.400 28.329 -0.929 18244 127 1 1 . 1 1 24 24 GLN H H 181 9.038 9.038 8.516 0.522 18244 128 1 1 . 1 1 25 25 LEU N N 182 117.088 117.088 120.052 -2.964 18244 129 1 1 . 1 1 25 25 LEU HA H 182 4.231 4.231 4.237 -0.006 18244 130 1 1 . 1 1 25 25 LEU C C 182 180.300 180.300 178.832 1.468 18244 131 1 1 . 1 1 25 25 LEU CA C 182 56.600 56.600 56.908 -0.308 18244 132 1 1 . 1 1 25 25 LEU CB C 182 40.900 40.900 42.015 -1.115 18244 133 1 1 . 1 1 25 25 LEU H H 182 7.309 7.309 7.597 -0.288 18244 134 1 1 . 1 1 26 26 LEU N N 183 120.917 120.917 120.472 0.445 18244 135 1 1 . 1 1 26 26 LEU HA H 183 3.699 3.699 3.868 -0.169 18244 136 1 1 . 1 1 26 26 LEU C C 183 181.300 181.300 179.505 1.795 18244 137 1 1 . 1 1 26 26 LEU CA C 183 57.900 57.900 57.670 0.230 18244 138 1 1 . 1 1 26 26 LEU CB C 183 42.400 42.400 41.077 1.323 18244 139 1 1 . 1 1 26 26 LEU H H 183 7.842 7.842 8.292 -0.450 18244 140 1 1 . 1 1 27 27 GLN N N 184 112.112 112.112 118.333 -6.221 18244 141 1 1 . 1 1 27 27 GLN HA H 184 4.082 4.082 4.064 0.018 18244 142 1 1 . 1 1 27 27 GLN C C 184 178.800 178.800 177.575 1.225 18244 143 1 1 . 1 1 27 27 GLN CA C 184 57.300 57.300 58.355 -1.055 18244 144 1 1 . 1 1 27 27 GLN CB C 184 28.500 28.500 28.400 0.100 18244 145 1 1 . 1 1 27 27 GLN H H 184 7.505 7.505 7.856 -0.351 18244 146 1 1 . 1 1 28 28 ARG N N 185 116.659 116.659 117.253 -0.594 18244 147 1 1 . 1 1 28 28 ARG HA H 185 4.187 4.187 4.234 -0.047 18244 148 1 1 . 1 1 28 28 ARG C C 185 177.900 177.900 176.214 1.686 18244 149 1 1 . 1 1 28 28 ARG CA C 185 56.600 56.600 57.742 -1.142 18244 150 1 1 . 1 1 28 28 ARG CB C 185 30.700 30.700 31.422 -0.722 18244 151 1 1 . 1 1 28 28 ARG H H 185 7.488 7.488 7.758 -0.270 18244 152 1 1 . 1 1 29 29 ILE N N 186 121.078 121.078 114.022 7.056 18244 153 1 1 . 1 1 29 29 ILE HA H 186 4.352 4.352 4.580 -0.228 18244 154 1 1 . 1 1 29 29 ILE CA C 186 59.300 59.300 57.966 1.334 18244 155 1 1 . 1 1 29 29 ILE CB C 186 37.800 37.800 38.301 -0.501 18244 156 1 1 . 1 1 29 29 ILE H H 186 7.630 7.630 7.332 0.298 18244 157 1 1 . 1 1 30 30 PRO HA H 187 4.256 4.256 4.523 -0.267 18244 158 1 1 . 1 1 30 30 PRO C C 187 178.500 178.500 176.859 1.641 18244 159 1 1 . 1 1 30 30 PRO CA C 187 64.100 64.100 61.978 2.122 18244 160 1 1 . 1 1 30 30 PRO CB C 187 32.400 32.400 32.444 -0.044 18244 161 1 1 . 1 1 31 31 ASN N N 188 110.335 110.335 117.060 -6.725 18244 162 1 1 . 1 1 31 31 ASN HA H 188 4.398 4.398 4.486 -0.088 18244 163 1 1 . 1 1 31 31 ASN C C 188 177.500 177.500 174.108 3.392 18244 164 1 1 . 1 1 31 31 ASN CA C 188 54.400 54.400 53.620 0.780 18244 165 1 1 . 1 1 31 31 ASN CB C 188 37.700 37.700 37.780 -0.080 18244 166 1 1 . 1 1 31 31 ASN H H 188 8.464 8.464 8.548 -0.084 18244 167 1 1 . 1 1 32 32 ILE N N 189 117.608 117.608 116.275 1.333 18244 168 1 1 . 1 1 32 32 ILE HA H 189 4.416 4.416 4.557 -0.141 18244 169 1 1 . 1 1 32 32 ILE CA C 189 58.100 58.100 58.197 -0.097 18244 170 1 1 . 1 1 32 32 ILE CB C 189 38.600 38.600 38.078 0.522 18244 171 1 1 . 1 1 32 32 ILE H H 189 7.325 7.325 8.000 -0.675 18244 172 1 1 . 1 1 33 33 PRO HA H 190 4.749 4.749 4.359 0.390 18244 173 1 1 . 1 1 33 33 PRO CA C 190 61.700 61.700 64.879 -3.179 18244 174 1 1 . 1 1 33 33 PRO CB C 190 31.000 31.000 30.465 0.535 18244 175 1 1 . 1 1 34 34 PRO HA H 191 4.391 4.391 4.310 0.081 18244 176 1 1 . 1 1 34 34 PRO C C 191 178.600 178.600 177.004 1.596 18244 177 1 1 . 1 1 34 34 PRO CA C 191 63.700 63.700 64.124 -0.424 18244 178 1 1 . 1 1 34 34 PRO CB C 191 32.000 32.000 31.730 0.270 18244 179 1 1 . 1 1 35 35 ASN N N 192 112.827 112.827 112.329 0.498 18244 180 1 1 . 1 1 35 35 ASN HA H 192 4.456 4.456 4.320 0.136 18244 181 1 1 . 1 1 35 35 ASN C C 192 176.500 176.500 173.573 2.927 18244 182 1 1 . 1 1 35 35 ASN CA C 192 53.700 53.700 54.276 -0.576 18244 183 1 1 . 1 1 35 35 ASN CB C 192 37.300 37.300 37.366 -0.066 18244 184 1 1 . 1 1 35 35 ASN H H 192 8.256 8.256 8.629 -0.373 18244 185 1 1 . 1 1 36 36 ILE N N 193 119.133 119.133 117.889 1.244 18244 186 1 1 . 1 1 36 36 ILE HA H 193 4.144 4.144 4.152 -0.008 18244 187 1 1 . 1 1 36 36 ILE C C 193 177.200 177.200 175.131 2.069 18244 188 1 1 . 1 1 36 36 ILE CA C 193 59.100 59.100 60.696 -1.596 18244 189 1 1 . 1 1 36 36 ILE CB C 193 37.000 37.000 39.222 -2.222 18244 190 1 1 . 1 1 36 36 ILE H H 193 7.166 7.166 7.701 -0.535 18244 191 1 1 . 1 1 37 37 ASN N N 194 121.068 121.068 120.443 0.625 18244 192 1 1 . 1 1 37 37 ASN HA H 194 4.667 4.667 4.687 -0.020 18244 193 1 1 . 1 1 37 37 ASN C C 194 175.600 175.600 174.828 0.772 18244 194 1 1 . 1 1 37 37 ASN CA C 194 53.400 53.400 53.852 -0.452 18244 195 1 1 . 1 1 37 37 ASN CB C 194 40.400 40.400 39.303 1.097 18244 196 1 1 . 1 1 37 37 ASN H H 194 8.764 8.764 8.571 0.193 18244 197 1 1 . 1 1 38 38 THR N N 195 106.795 106.795 116.572 -9.777 18244 198 1 1 . 1 1 38 38 THR HA H 195 4.924 4.924 4.433 0.491 18244 199 1 1 . 1 1 38 38 THR C C 195 178.000 178.000 175.083 2.917 18244 200 1 1 . 1 1 38 38 THR CA C 195 58.800 58.800 63.577 -4.777 18244 201 1 1 . 1 1 38 38 THR CB C 195 73.500 73.500 68.329 5.171 18244 202 1 1 . 1 1 38 38 THR H H 195 7.527 7.527 8.003 -0.476 18244 203 1 1 . 1 1 39 39 TRP N N 196 123.744 123.744 128.240 -4.496 18244 204 1 1 . 1 1 39 39 TRP HA H 196 4.533 4.533 4.249 0.284 18244 205 1 1 . 1 1 39 39 TRP C C 196 182.300 182.300 178.273 4.027 18244 206 1 1 . 1 1 39 39 TRP CA C 196 60.100 60.100 61.748 -1.648 18244 207 1 1 . 1 1 39 39 TRP CB C 196 29.400 29.400 29.486 -0.086 18244 208 1 1 . 1 1 39 39 TRP H H 196 10.363 10.363 8.744 1.619 18244 209 1 1 . 1 1 40 40 GLN N N 197 120.207 120.207 116.483 3.724 18244 210 1 1 . 1 1 40 40 GLN HA H 197 4.268 4.268 4.103 0.165 18244 211 1 1 . 1 1 40 40 GLN C C 197 180.900 180.900 177.850 3.050 18244 212 1 1 . 1 1 40 40 GLN CA C 197 59.500 59.500 58.737 0.763 18244 213 1 1 . 1 1 40 40 GLN CB C 197 28.500 28.500 28.242 0.258 18244 214 1 1 . 1 1 40 40 GLN H H 197 8.550 8.550 8.496 0.054 18244 215 1 1 . 1 1 41 41 GLN N N 198 118.163 118.163 116.105 2.058 18244 216 1 1 . 1 1 41 41 GLN HA H 198 4.191 4.191 4.280 -0.089 18244 217 1 1 . 1 1 41 41 GLN C C 198 181.500 181.500 178.063 3.437 18244 218 1 1 . 1 1 41 41 GLN CA C 198 58.500 58.500 57.289 1.211 18244 219 1 1 . 1 1 41 41 GLN CB C 198 30.400 30.400 29.509 0.891 18244 220 1 1 . 1 1 41 41 GLN H H 198 7.594 7.594 7.700 -0.106 18244 221 1 1 . 1 1 42 42 VAL N N 199 121.112 121.112 119.402 1.710 18244 222 1 1 . 1 1 42 42 VAL HA H 199 3.479 3.479 3.905 -0.426 18244 223 1 1 . 1 1 42 42 VAL C C 199 180.000 180.000 177.852 2.148 18244 224 1 1 . 1 1 42 42 VAL CA C 199 67.500 67.500 65.526 1.974 18244 225 1 1 . 1 1 42 42 VAL CB C 199 32.000 32.000 32.074 -0.074 18244 226 1 1 . 1 1 42 42 VAL H H 199 8.116 8.116 7.908 0.208 18244 227 1 1 . 1 1 43 43 THR N N 200 113.870 113.870 114.594 -0.724 18244 228 1 1 . 1 1 43 43 THR HA H 200 3.904 3.904 4.185 -0.281 18244 229 1 1 . 1 1 43 43 THR C C 200 178.900 178.900 175.907 2.993 18244 230 1 1 . 1 1 43 43 THR CA C 200 67.000 67.000 65.945 1.055 18244 231 1 1 . 1 1 43 43 THR CB C 200 68.500 68.500 68.697 -0.197 18244 232 1 1 . 1 1 43 43 THR H H 200 8.726 8.726 8.802 -0.076 18244 233 1 1 . 1 1 44 44 ALA N N 201 124.369 124.369 124.011 0.358 18244 234 1 1 . 1 1 44 44 ALA HA H 201 4.280 4.280 4.368 -0.088 18244 235 1 1 . 1 1 44 44 ALA C C 201 182.700 182.700 179.103 3.597 18244 236 1 1 . 1 1 44 44 ALA CA C 201 55.500 55.500 54.380 1.120 18244 237 1 1 . 1 1 44 44 ALA CB C 201 17.900 17.900 18.206 -0.306 18244 238 1 1 . 1 1 44 44 ALA H H 201 7.539 7.539 7.826 -0.287 18244 239 1 1 . 1 1 45 45 LEU N N 202 117.896 117.896 118.767 -0.871 18244 240 1 1 . 1 1 45 45 LEU HA H 202 4.068 4.068 3.950 0.118 18244 241 1 1 . 1 1 45 45 LEU C C 202 182.200 182.200 178.879 3.321 18244 242 1 1 . 1 1 45 45 LEU CA C 202 58.100 58.100 57.780 0.320 18244 243 1 1 . 1 1 45 45 LEU CB C 202 41.800 41.800 41.707 0.093 18244 244 1 1 . 1 1 45 45 LEU H H 202 7.716 7.716 8.071 -0.355 18244 245 1 1 . 1 1 46 46 ALA N N 203 121.746 121.746 120.132 1.614 18244 246 1 1 . 1 1 46 46 ALA HA H 203 4.184 4.184 4.144 0.040 18244 247 1 1 . 1 1 46 46 ALA C C 203 184.300 184.300 179.617 4.683 18244 248 1 1 . 1 1 46 46 ALA CA C 203 55.400 55.400 54.300 1.100 18244 249 1 1 . 1 1 46 46 ALA CB C 203 18.100 18.100 18.596 -0.496 18244 250 1 1 . 1 1 46 46 ALA H H 203 8.117 8.117 7.681 0.436 18244 251 1 1 . 1 1 47 47 GLN N N 204 120.247 120.247 117.885 2.362 18244 252 1 1 . 1 1 47 47 GLN HA H 204 4.088 4.088 4.088 0.000 18244 253 1 1 . 1 1 47 47 GLN C C 204 180.100 180.100 178.454 1.646 18244 254 1 1 . 1 1 47 47 GLN CA C 204 58.900 58.900 58.194 0.706 18244 255 1 1 . 1 1 47 47 GLN CB C 204 28.500 28.500 28.916 -0.416 18244 256 1 1 . 1 1 47 47 GLN H H 204 8.515 8.515 7.589 0.926 18244 257 1 1 . 1 1 48 48 GLN N N 205 116.167 116.167 115.997 0.170 18244 258 1 1 . 1 1 48 48 GLN HA H 205 4.290 4.290 4.379 -0.089 18244 259 1 1 . 1 1 48 48 GLN C C 205 176.700 176.700 174.911 1.789 18244 260 1 1 . 1 1 48 48 GLN CA C 205 55.900 55.900 55.600 0.300 18244 261 1 1 . 1 1 48 48 GLN CB C 205 30.000 30.000 28.852 1.148 18244 262 1 1 . 1 1 48 48 GLN H H 205 7.534 7.534 7.970 -0.436 18244 263 1 1 . 1 1 49 49 LYS N N 206 113.354 113.354 114.480 -1.126 18244 264 1 1 . 1 1 49 49 LYS HA H 206 4.118 4.118 3.980 0.138 18244 265 1 1 . 1 1 49 49 LYS C C 206 178.700 178.700 176.812 1.888 18244 266 1 1 . 1 1 49 49 LYS CA C 206 57.500 57.500 57.406 0.094 18244 267 1 1 . 1 1 49 49 LYS CB C 206 28.300 28.300 29.859 -1.559 18244 268 1 1 . 1 1 49 49 LYS H H 206 7.957 7.957 7.580 0.377 18244 269 1 1 . 1 1 50 50 LEU N N 207 116.944 116.944 115.910 1.034 18244 270 1 1 . 1 1 50 50 LEU HA H 207 4.423 4.423 4.220 0.203 18244 271 1 1 . 1 1 50 50 LEU C C 207 180.000 180.000 177.670 2.330 18244 272 1 1 . 1 1 50 50 LEU CA C 207 55.300 55.300 55.744 -0.444 18244 273 1 1 . 1 1 50 50 LEU CB C 207 42.500 42.500 42.454 0.046 18244 274 1 1 . 1 1 50 50 LEU H H 207 8.016 8.016 7.717 0.299 18244 275 1 1 . 1 1 51 51 LEU N N 208 117.793 117.793 121.135 -3.342 18244 276 1 1 . 1 1 51 51 LEU HA H 208 4.922 4.922 4.205 0.717 18244 277 1 1 . 1 1 51 51 LEU C C 208 179.000 179.000 176.780 2.220 18244 278 1 1 . 1 1 51 51 LEU CA C 208 53.400 53.400 54.937 -1.537 18244 279 1 1 . 1 1 51 51 LEU CB C 208 44.500 44.500 41.814 2.686 18244 280 1 1 . 1 1 51 51 LEU H H 208 7.109 7.109 7.561 -0.452 18244 281 1 1 . 1 1 52 52 THR N N 209 115.695 115.695 119.091 -3.396 18244 282 1 1 . 1 1 52 52 THR HA H 209 4.623 4.623 4.777 -0.154 18244 283 1 1 . 1 1 52 52 THR CA C 209 60.700 60.700 59.332 1.368 18244 284 1 1 . 1 1 52 52 THR CB C 209 69.000 69.000 69.166 -0.166 18244 285 1 1 . 1 1 52 52 THR H H 209 9.460 9.460 9.212 0.248 18244 286 1 1 . 1 1 53 53 PRO HA H 210 4.275 4.275 4.170 0.105 18244 287 1 1 . 1 1 53 53 PRO C C 210 181.700 181.700 178.661 3.039 18244 288 1 1 . 1 1 53 53 PRO CA C 210 66.000 66.000 66.043 -0.043 18244 289 1 1 . 1 1 53 53 PRO CB C 210 31.600 31.600 31.742 -0.142 18244 290 1 1 . 1 1 54 54 GLN N N 211 116.837 116.837 114.803 2.034 18244 291 1 1 . 1 1 54 54 GLN HA H 211 4.119 4.119 4.134 -0.015 18244 292 1 1 . 1 1 54 54 GLN C C 211 181.500 181.500 177.278 4.222 18244 293 1 1 . 1 1 54 54 GLN CA C 211 59.800 59.800 58.330 1.470 18244 294 1 1 . 1 1 54 54 GLN CB C 211 28.100 28.100 28.016 0.084 18244 295 1 1 . 1 1 54 54 GLN H H 211 8.229 8.229 8.525 -0.296 18244 296 1 1 . 1 1 55 55 ASP N N 212 123.621 123.621 119.565 4.056 18244 297 1 1 . 1 1 55 55 ASP HA H 212 4.353 4.353 4.587 -0.234 18244 298 1 1 . 1 1 55 55 ASP C C 212 181.100 181.100 177.799 3.301 18244 299 1 1 . 1 1 55 55 ASP CA C 212 57.900 57.900 56.346 1.554 18244 300 1 1 . 1 1 55 55 ASP CB C 212 41.700 41.700 41.209 0.491 18244 301 1 1 . 1 1 55 55 ASP H H 212 7.957 7.957 8.042 -0.085 18244 302 1 1 . 1 1 56 56 MET N N 213 117.263 117.263 120.466 -3.203 18244 303 1 1 . 1 1 56 56 MET HA H 213 4.380 4.380 4.118 0.262 18244 304 1 1 . 1 1 56 56 MET C C 213 181.000 181.000 178.106 2.894 18244 305 1 1 . 1 1 56 56 MET CA C 213 57.100 57.100 58.494 -1.394 18244 306 1 1 . 1 1 56 56 MET CB C 213 31.200 31.200 32.207 -1.007 18244 307 1 1 . 1 1 56 56 MET H H 213 8.314 8.314 8.148 0.166 18244 308 1 1 . 1 1 57 57 GLU N N 214 120.570 120.570 116.816 3.754 18244 309 1 1 . 1 1 57 57 GLU HA H 214 4.085 4.085 4.106 -0.021 18244 310 1 1 . 1 1 57 57 GLU C C 214 181.700 181.700 178.602 3.098 18244 311 1 1 . 1 1 57 57 GLU CA C 214 59.500 59.500 58.913 0.587 18244 312 1 1 . 1 1 57 57 GLU CB C 214 29.300 29.300 28.992 0.308 18244 313 1 1 . 1 1 57 57 GLU H H 214 8.039 8.039 7.921 0.118 18244 314 1 1 . 1 1 58 58 ALA N N 215 121.915 121.915 121.558 0.357 18244 315 1 1 . 1 1 58 58 ALA HA H 215 4.361 4.361 4.298 0.063 18244 316 1 1 . 1 1 58 58 ALA C C 215 182.800 182.800 179.106 3.694 18244 317 1 1 . 1 1 58 58 ALA CA C 215 55.100 55.100 54.376 0.724 18244 318 1 1 . 1 1 58 58 ALA CB C 215 18.500 18.500 18.321 0.179 18244 319 1 1 . 1 1 58 58 ALA H H 215 7.571 7.571 7.255 0.316 18244 320 1 1 . 1 1 59 59 ALA N N 216 120.749 120.749 121.460 -0.711 18244 321 1 1 . 1 1 59 59 ALA HA H 216 4.137 4.137 4.186 -0.049 18244 322 1 1 . 1 1 59 59 ALA C C 216 180.800 180.800 179.553 1.247 18244 323 1 1 . 1 1 59 59 ALA CA C 216 55.700 55.700 55.058 0.642 18244 324 1 1 . 1 1 59 59 ALA CB C 216 18.100 18.100 18.284 -0.184 18244 325 1 1 . 1 1 59 59 ALA H H 216 8.728 8.728 8.168 0.560 18244 326 1 1 . 1 1 60 60 LYS N N 217 117.415 117.415 118.537 -1.122 18244 327 1 1 . 1 1 60 60 LYS HA H 217 3.700 3.700 3.885 -0.185 18244 328 1 1 . 1 1 60 60 LYS C C 217 181.300 181.300 179.260 2.040 18244 329 1 1 . 1 1 60 60 LYS CA C 217 60.200 60.200 60.225 -0.025 18244 330 1 1 . 1 1 60 60 LYS CB C 217 32.600 32.600 32.235 0.365 18244 331 1 1 . 1 1 60 60 LYS H H 217 8.292 8.292 7.853 0.439 18244 332 1 1 . 1 1 61 61 GLN N N 218 118.499 118.499 118.539 -0.040 18244 333 1 1 . 1 1 61 61 GLN HA H 218 4.171 4.171 4.131 0.040 18244 334 1 1 . 1 1 61 61 GLN C C 218 181.500 181.500 178.474 3.026 18244 335 1 1 . 1 1 61 61 GLN CA C 218 59.200 59.200 58.821 0.379 18244 336 1 1 . 1 1 61 61 GLN CB C 218 29.400 29.400 28.551 0.849 18244 337 1 1 . 1 1 61 61 GLN H H 218 7.401 7.401 7.790 -0.389 18244 338 1 1 . 1 1 62 62 VAL N N 219 119.685 119.685 120.539 -0.854 18244 339 1 1 . 1 1 62 62 VAL HA H 219 3.746 3.746 3.746 -0.000 18244 340 1 1 . 1 1 62 62 VAL C C 219 179.400 179.400 178.208 1.192 18244 341 1 1 . 1 1 62 62 VAL CA C 219 66.800 66.800 66.478 0.322 18244 342 1 1 . 1 1 62 62 VAL CB C 219 31.900 31.900 31.125 0.775 18244 343 1 1 . 1 1 62 62 VAL H H 219 8.036 8.036 7.628 0.408 18244 344 1 1 . 1 1 63 63 TYR N N 220 123.794 123.794 120.752 3.042 18244 345 1 1 . 1 1 63 63 TYR HA H 220 3.725 3.725 4.308 -0.583 18244 346 1 1 . 1 1 63 63 TYR C C 220 179.300 179.300 177.921 1.379 18244 347 1 1 . 1 1 63 63 TYR CA C 220 62.200 62.200 62.036 0.164 18244 348 1 1 . 1 1 63 63 TYR CB C 220 38.000 38.000 38.438 -0.438 18244 349 1 1 . 1 1 63 63 TYR H H 220 8.802 8.802 8.537 0.265 18244 350 1 1 . 1 1 64 64 LYS N N 221 117.772 117.772 120.407 -2.635 18244 351 1 1 . 1 1 64 64 LYS HA H 221 3.864 3.864 3.997 -0.133 18244 352 1 1 . 1 1 64 64 LYS C C 221 181.700 181.700 179.181 2.519 18244 353 1 1 . 1 1 64 64 LYS CA C 221 59.800 59.800 59.748 0.052 18244 354 1 1 . 1 1 64 64 LYS CB C 221 32.200 32.200 32.426 -0.226 18244 355 1 1 . 1 1 64 64 LYS H H 221 7.452 7.452 7.800 -0.348 18244 356 1 1 . 1 1 65 65 ILE N N 222 119.985 119.985 119.449 0.536 18244 357 1 1 . 1 1 65 65 ILE HA H 222 3.757 3.757 3.702 0.055 18244 358 1 1 . 1 1 65 65 ILE C C 222 180.700 180.700 177.897 2.803 18244 359 1 1 . 1 1 65 65 ILE CA C 222 65.000 65.000 65.643 -0.643 18244 360 1 1 . 1 1 65 65 ILE CB C 222 38.200 38.200 38.070 0.130 18244 361 1 1 . 1 1 65 65 ILE H H 222 7.673 7.673 8.561 -0.888 18244 362 1 1 . 1 1 66 66 HIS N N 223 121.506 121.506 119.737 1.769 18244 363 1 1 . 1 1 66 66 HIS HA H 223 4.343 4.343 4.117 0.226 18244 364 1 1 . 1 1 66 66 HIS C C 223 179.400 179.400 177.724 1.676 18244 365 1 1 . 1 1 66 66 HIS CA C 223 57.500 57.500 59.566 -2.066 18244 366 1 1 . 1 1 66 66 HIS CB C 223 32.800 32.800 30.206 2.594 18244 367 1 1 . 1 1 66 66 HIS H H 223 8.943 8.943 8.299 0.644 18244 368 1 1 . 1 1 67 67 GLN N N 224 117.421 117.421 117.400 0.021 18244 369 1 1 . 1 1 67 67 GLN HA H 224 3.720 3.720 3.851 -0.131 18244 370 1 1 . 1 1 67 67 GLN C C 224 180.200 180.200 178.439 1.761 18244 371 1 1 . 1 1 67 67 GLN CA C 224 59.800 59.800 58.835 0.965 18244 372 1 1 . 1 1 67 67 GLN CB C 224 29.500 29.500 28.149 1.351 18244 373 1 1 . 1 1 67 67 GLN H H 224 8.526 8.526 7.861 0.665 18244 374 1 1 . 1 1 68 68 GLN N N 225 117.385 117.385 119.584 -2.199 18244 375 1 1 . 1 1 68 68 GLN HA H 225 4.017 4.017 4.140 -0.123 18244 376 1 1 . 1 1 68 68 GLN C C 225 181.100 181.100 178.556 2.544 18244 377 1 1 . 1 1 68 68 GLN CA C 225 59.200 59.200 58.669 0.531 18244 378 1 1 . 1 1 68 68 GLN CB C 225 28.400 28.400 28.767 -0.367 18244 379 1 1 . 1 1 68 68 GLN H H 225 7.673 7.673 7.504 0.169 18244 380 1 1 . 1 1 69 69 LEU N N 226 120.608 120.608 121.922 -1.314 18244 381 1 1 . 1 1 69 69 LEU HA H 226 4.126 4.126 4.106 0.020 18244 382 1 1 . 1 1 69 69 LEU C C 226 182.700 182.700 178.613 4.087 18244 383 1 1 . 1 1 69 69 LEU CA C 226 58.200 58.200 57.954 0.246 18244 384 1 1 . 1 1 69 69 LEU CB C 226 42.000 42.000 42.047 -0.047 18244 385 1 1 . 1 1 69 69 LEU H H 226 8.227 8.227 8.270 -0.043 18244 386 1 1 . 1 1 70 70 LEU N N 227 120.607 120.607 118.861 1.746 18244 387 1 1 . 1 1 70 70 LEU HA H 227 4.108 4.108 3.889 0.219 18244 388 1 1 . 1 1 70 70 LEU C C 227 181.900 181.900 179.067 2.833 18244 389 1 1 . 1 1 70 70 LEU CA C 227 57.700 57.700 58.010 -0.310 18244 390 1 1 . 1 1 70 70 LEU CB C 227 41.900 41.900 41.576 0.324 18244 391 1 1 . 1 1 70 70 LEU H H 227 8.273 8.273 8.180 0.093 18244 392 1 1 . 1 1 71 71 PHE N N 228 119.975 119.975 119.179 0.796 18244 393 1 1 . 1 1 71 71 PHE HA H 228 4.315 4.315 4.078 0.237 18244 394 1 1 . 1 1 71 71 PHE C C 228 180.100 180.100 177.022 3.078 18244 395 1 1 . 1 1 71 71 PHE CA C 228 60.200 60.200 61.398 -1.198 18244 396 1 1 . 1 1 71 71 PHE CB C 228 39.000 39.000 39.064 -0.064 18244 397 1 1 . 1 1 71 71 PHE H H 228 8.469 8.469 7.388 1.081 18244 398 1 1 . 1 1 72 72 LYS N N 229 119.148 119.148 118.750 0.398 18244 399 1 1 . 1 1 72 72 LYS HA H 229 4.012 4.012 3.875 0.137 18244 400 1 1 . 1 1 72 72 LYS C C 229 180.400 180.400 178.656 1.744 18244 401 1 1 . 1 1 72 72 LYS CA C 229 58.800 58.800 59.514 -0.714 18244 402 1 1 . 1 1 72 72 LYS CB C 229 32.300 32.300 32.353 -0.053 18244 403 1 1 . 1 1 72 72 LYS H H 229 8.143 8.143 7.709 0.434 18244 404 1 1 . 1 1 73 73 ALA N N 230 121.483 121.483 121.562 -0.079 18244 405 1 1 . 1 1 73 73 ALA HA H 230 4.224 4.224 4.173 0.051 18244 406 1 1 . 1 1 73 73 ALA C C 230 181.600 181.600 179.409 2.191 18244 407 1 1 . 1 1 73 73 ALA CA C 230 54.200 54.200 54.560 -0.360 18244 408 1 1 . 1 1 73 73 ALA CB C 230 18.500 18.500 18.213 0.287 18244 409 1 1 . 1 1 73 73 ALA H H 230 7.886 7.886 8.370 -0.484 18244 410 1 1 . 1 1 74 74 ARG N N 231 118.073 118.073 117.389 0.684 18244 411 1 1 . 1 1 74 74 ARG HA H 231 4.189 4.189 4.081 0.108 18244 412 1 1 . 1 1 74 74 ARG C C 231 179.900 179.900 178.086 1.814 18244 413 1 1 . 1 1 74 74 ARG CA C 231 57.600 57.600 58.261 -0.661 18244 414 1 1 . 1 1 74 74 ARG CB C 231 30.100 30.100 30.539 -0.439 18244 415 1 1 . 1 1 74 74 ARG H H 231 7.849 7.849 7.514 0.335 18244 416 1 1 . 1 1 75 75 LEU N N 232 120.575 120.575 118.468 2.107 18244 417 1 1 . 1 1 75 75 LEU HA H 232 4.181 4.181 4.087 0.094 18244 418 1 1 . 1 1 75 75 LEU C C 232 180.600 180.600 177.145 3.455 18244 419 1 1 . 1 1 75 75 LEU CA C 232 56.400 56.400 55.570 0.830 18244 420 1 1 . 1 1 75 75 LEU CB C 232 42.000 42.000 42.566 -0.566 18244 421 1 1 . 1 1 75 75 LEU H H 232 7.847 7.847 7.244 0.603 18244 422 1 1 . 1 1 76 76 GLN N N 233 118.890 118.890 115.932 2.958 18244 423 1 1 . 1 1 76 76 GLN HA H 233 4.220 4.220 4.067 0.153 18244 424 1 1 . 1 1 76 76 GLN C C 233 179.100 179.100 175.551 3.549 18244 425 1 1 . 1 1 76 76 GLN CA C 233 56.900 56.900 56.130 0.770 18244 426 1 1 . 1 1 76 76 GLN CB C 233 29.000 29.000 28.222 0.778 18244 427 1 1 . 1 1 76 76 GLN H H 233 8.008 8.008 7.990 0.018 18244 428 1 1 . 1 1 77 77 GLN N N 234 119.836 119.836 121.457 -1.621 18244 429 1 1 . 1 1 77 77 GLN HA H 234 4.263 4.263 4.186 0.077 18244 430 1 1 . 1 1 77 77 GLN C C 234 178.700 178.700 175.537 3.163 18244 431 1 1 . 1 1 77 77 GLN CA C 234 56.700 56.700 56.622 0.078 18244 432 1 1 . 1 1 77 77 GLN CB C 234 29.100 29.100 29.248 -0.148 18244 433 1 1 . 1 1 77 77 GLN H H 234 8.078 8.078 8.559 -0.481 18244 434 1 1 . 1 1 78 78 GLN N N 235 120.341 120.341 118.052 2.289 18244 435 1 1 . 1 1 78 78 GLN HA H 235 4.288 4.288 4.530 -0.242 18244 436 1 1 . 1 1 78 78 GLN C C 235 178.400 178.400 174.951 3.449 18244 437 1 1 . 1 1 78 78 GLN CA C 235 56.400 56.400 55.096 1.304 18244 438 1 1 . 1 1 78 78 GLN CB C 235 29.300 29.300 28.826 0.474 18244 439 1 1 . 1 1 78 78 GLN H H 235 8.226 8.226 7.980 0.246 18244 440 1 1 . 1 1 79 79 GLN N N 236 120.708 120.708 123.410 -2.702 18244 441 1 1 . 1 1 79 79 GLN HA H 236 4.316 4.316 4.508 -0.192 18244 442 1 1 . 1 1 79 79 GLN C C 236 177.800 177.800 175.484 2.316 18244 443 1 1 . 1 1 79 79 GLN CA C 236 55.900 55.900 55.364 0.536 18244 444 1 1 . 1 1 79 79 GLN CB C 236 29.500 29.500 29.763 -0.263 18244 445 1 1 . 1 1 79 79 GLN H H 236 8.253 8.253 8.692 -0.439 18244 446 1 1 . 1 1 80 80 ALA N N 237 125.698 125.698 128.870 -3.172 18244 447 1 1 . 1 1 80 80 ALA HA H 237 4.336 4.336 4.280 0.056 18244 448 1 1 . 1 1 80 80 ALA C C 237 179.000 179.000 177.272 1.728 18244 449 1 1 . 1 1 80 80 ALA CA C 237 52.800 52.800 53.437 -0.637 18244 450 1 1 . 1 1 80 80 ALA CB C 237 19.300 19.300 19.320 -0.020 18244 451 1 1 . 1 1 80 80 ALA H H 237 8.237 8.237 8.794 -0.557 18244 452 1 2 . 1 1 2 2 ARG HA H 159 4.353 4.353 4.345 0.008 18244 453 1 2 . 1 1 2 2 ARG C C 159 178.200 178.200 175.739 2.461 18244 454 1 2 . 1 1 2 2 ARG CA C 159 56.300 56.300 56.117 0.182 18244 455 1 2 . 1 1 2 2 ARG CB C 159 30.900 30.900 30.103 0.797 18244 456 1 2 . 1 1 3 3 ARG N N 160 123.623 123.623 125.649 -2.026 18244 457 1 2 . 1 1 3 3 ARG HA H 160 4.306 4.306 4.545 -0.239 18244 458 1 2 . 1 1 3 3 ARG C C 160 178.000 178.000 175.544 2.456 18244 459 1 2 . 1 1 3 3 ARG CA C 160 56.100 56.100 55.854 0.246 18244 460 1 2 . 1 1 3 3 ARG CB C 160 31.000 31.000 30.471 0.528 18244 461 1 2 . 1 1 3 3 ARG H H 160 8.558 8.558 8.621 -0.063 18244 462 1 2 . 1 1 4 4 GLN N N 161 122.962 122.962 123.487 -0.525 18244 463 1 2 . 1 1 4 4 GLN HA H 161 4.355 4.355 4.488 -0.133 18244 464 1 2 . 1 1 4 4 GLN C C 161 177.900 177.900 175.018 2.882 18244 465 1 2 . 1 1 4 4 GLN CA C 161 55.500 55.500 55.286 0.214 18244 466 1 2 . 1 1 4 4 GLN CB C 161 29.600 29.600 30.283 -0.683 18244 467 1 2 . 1 1 4 4 GLN H H 161 8.515 8.515 8.709 -0.194 18244 468 1 2 . 1 1 5 5 LEU N N 162 124.755 124.755 121.474 3.281 18244 469 1 2 . 1 1 5 5 LEU HA H 162 4.577 4.577 4.123 0.454 18244 470 1 2 . 1 1 5 5 LEU C C 162 180.500 180.500 176.314 4.186 18244 471 1 2 . 1 1 5 5 LEU CA C 162 54.700 54.700 55.025 -0.325 18244 472 1 2 . 1 1 5 5 LEU CB C 162 42.900 42.900 41.093 1.807 18244 473 1 2 . 1 1 5 5 LEU H H 162 8.480 8.480 8.734 -0.254 18244 474 1 2 . 1 1 6 6 THR N N 163 114.727 114.727 114.227 0.500 18244 475 1 2 . 1 1 6 6 THR HA H 163 4.596 4.596 4.592 0.004 18244 476 1 2 . 1 1 6 6 THR CA C 163 60.200 60.200 59.707 0.493 18244 477 1 2 . 1 1 6 6 THR CB C 163 68.200 68.200 70.038 -1.838 18244 478 1 2 . 1 1 6 6 THR H H 163 8.623 8.623 8.102 0.521 18244 479 1 2 . 1 1 7 7 PRO HA H 164 4.263 4.263 4.166 0.097 18244 480 1 2 . 1 1 7 7 PRO C C 164 181.600 181.600 178.763 2.837 18244 481 1 2 . 1 1 7 7 PRO CA C 164 65.900 65.900 65.456 0.444 18244 482 1 2 . 1 1 7 7 PRO CB C 164 31.600 31.600 31.871 -0.271 18244 483 1 2 . 1 1 8 8 GLN N N 165 116.429 116.429 117.021 -0.592 18244 484 1 2 . 1 1 8 8 GLN HA H 165 4.063 4.063 4.130 -0.067 18244 485 1 2 . 1 1 8 8 GLN C C 165 181.300 181.300 178.703 2.597 18244 486 1 2 . 1 1 8 8 GLN CA C 165 59.500 59.500 59.139 0.361 18244 487 1 2 . 1 1 8 8 GLN CB C 165 28.300 28.300 28.053 0.247 18244 488 1 2 . 1 1 8 8 GLN H H 165 8.439 8.439 8.603 -0.164 18244 489 1 2 . 1 1 9 9 GLN N N 166 120.164 120.164 119.053 1.111 18244 490 1 2 . 1 1 9 9 GLN HA H 166 3.948 3.948 4.049 -0.101 18244 491 1 2 . 1 1 9 9 GLN C C 166 180.600 180.600 178.536 2.064 18244 492 1 2 . 1 1 9 9 GLN CA C 166 58.700 58.700 58.489 0.211 18244 493 1 2 . 1 1 9 9 GLN CB C 166 29.300 29.300 28.688 0.612 18244 494 1 2 . 1 1 9 9 GLN H H 166 7.760 7.760 7.702 0.058 18244 495 1 2 . 1 1 10 10 GLN N N 167 119.164 119.164 119.352 -0.188 18244 496 1 2 . 1 1 10 10 GLN HA H 167 3.860 3.860 3.955 -0.095 18244 497 1 2 . 1 1 10 10 GLN C C 167 180.300 180.300 178.618 1.682 18244 498 1 2 . 1 1 10 10 GLN CA C 167 58.600 58.600 59.094 -0.494 18244 499 1 2 . 1 1 10 10 GLN CB C 167 29.000 29.000 28.453 0.547 18244 500 1 2 . 1 1 10 10 GLN H H 167 8.787 8.787 8.523 0.264 18244 501 1 2 . 1 1 11 11 GLN N N 168 118.139 118.139 117.841 0.298 18244 502 1 2 . 1 1 11 11 GLN HA H 168 4.111 4.111 4.143 -0.032 18244 503 1 2 . 1 1 11 11 GLN C C 168 180.600 180.600 178.528 2.072 18244 504 1 2 . 1 1 11 11 GLN CA C 168 58.900 58.900 58.106 0.794 18244 505 1 2 . 1 1 11 11 GLN CB C 168 28.500 28.500 28.401 0.099 18244 506 1 2 . 1 1 11 11 GLN H H 168 7.987 7.987 7.686 0.301 18244 507 1 2 . 1 1 12 12 LEU N N 169 120.649 120.649 120.010 0.639 18244 508 1 2 . 1 1 12 12 LEU HA H 169 4.138 4.138 4.076 0.062 18244 509 1 2 . 1 1 12 12 LEU C C 169 181.300 181.300 178.970 2.330 18244 510 1 2 . 1 1 12 12 LEU CA C 169 58.100 58.100 57.327 0.773 18244 511 1 2 . 1 1 12 12 LEU CB C 169 41.600 41.600 41.948 -0.348 18244 512 1 2 . 1 1 12 12 LEU H H 169 7.457 7.457 7.645 -0.188 18244 513 1 2 . 1 1 13 13 VAL N N 170 119.772 119.772 118.983 0.789 18244 514 1 2 . 1 1 13 13 VAL HA H 170 3.570 3.570 3.584 -0.014 18244 515 1 2 . 1 1 13 13 VAL C C 170 180.700 180.700 178.694 2.006 18244 516 1 2 . 1 1 13 13 VAL CA C 170 66.700 66.700 66.542 0.158 18244 517 1 2 . 1 1 13 13 VAL CB C 170 31.700 31.700 31.004 0.696 18244 518 1 2 . 1 1 13 13 VAL H H 170 8.101 8.101 7.741 0.360 18244 519 1 2 . 1 1 14 14 ASN N N 171 118.278 118.278 117.710 0.568 18244 520 1 2 . 1 1 14 14 ASN HA H 171 4.454 4.454 4.518 -0.064 18244 521 1 2 . 1 1 14 14 ASN C C 171 180.800 180.800 178.022 2.778 18244 522 1 2 . 1 1 14 14 ASN CA C 171 56.000 56.000 56.136 -0.136 18244 523 1 2 . 1 1 14 14 ASN CB C 171 37.600 37.600 38.355 -0.755 18244 524 1 2 . 1 1 14 14 ASN H H 171 8.253 8.253 8.128 0.125 18244 525 1 2 . 1 1 15 15 GLN N N 172 120.079 120.079 118.267 1.812 18244 526 1 2 . 1 1 15 15 GLN HA H 172 4.152 4.152 4.284 -0.132 18244 527 1 2 . 1 1 15 15 GLN C C 172 181.100 181.100 176.735 4.365 18244 528 1 2 . 1 1 15 15 GLN CA C 172 58.600 58.600 57.707 0.893 18244 529 1 2 . 1 1 15 15 GLN CB C 172 28.800 28.800 28.868 -0.068 18244 530 1 2 . 1 1 15 15 GLN H H 172 8.112 8.112 7.516 0.596 18244 531 1 2 . 1 1 16 16 MET N N 173 118.323 118.323 116.846 1.477 18244 532 1 2 . 1 1 16 16 MET HA H 173 4.266 4.266 4.651 -0.385 18244 533 1 2 . 1 1 16 16 MET C C 173 180.300 180.300 176.761 3.539 18244 534 1 2 . 1 1 16 16 MET CA C 173 57.300 57.300 55.651 1.649 18244 535 1 2 . 1 1 16 16 MET CB C 173 31.400 31.400 32.925 -1.525 18244 536 1 2 . 1 1 16 16 MET H H 173 8.371 8.371 7.727 0.644 18244 537 1 2 . 1 1 17 17 LYS N N 174 117.179 117.179 121.947 -4.768 18244 538 1 2 . 1 1 17 17 LYS HA H 174 4.450 4.450 4.227 0.223 18244 539 1 2 . 1 1 17 17 LYS C C 174 178.400 178.400 177.602 0.798 18244 540 1 2 . 1 1 17 17 LYS CA C 174 55.800 55.800 59.401 -3.601 18244 541 1 2 . 1 1 17 17 LYS CB C 174 33.600 33.600 33.112 0.488 18244 542 1 2 . 1 1 17 17 LYS H H 174 7.798 7.798 7.547 0.251 18244 543 1 2 . 1 1 18 18 VAL N N 175 135.773 135.773 117.939 17.834 18244 544 1 2 . 1 1 18 18 VAL HA H 175 4.674 4.674 4.247 0.427 18244 545 1 2 . 1 1 18 18 VAL C C 175 177.700 177.700 174.384 3.316 18244 546 1 2 . 1 1 18 18 VAL CA C 175 60.100 60.100 61.540 -1.440 18244 547 1 2 . 1 1 18 18 VAL CB C 175 33.200 33.200 29.843 3.357 18244 548 1 2 . 1 1 18 18 VAL H H 175 6.894 6.894 8.410 -1.516 18244 549 1 2 . 1 1 19 19 ALA N N 176 127.267 127.267 131.412 -4.145 18244 550 1 2 . 1 1 19 19 ALA HA H 176 4.653 4.653 4.979 -0.326 18244 551 1 2 . 1 1 19 19 ALA CA C 176 50.200 50.200 49.256 0.944 18244 552 1 2 . 1 1 19 19 ALA CB C 176 18.800 18.800 21.274 -2.474 18244 553 1 2 . 1 1 19 19 ALA H H 176 7.508 7.508 8.010 -0.502 18244 554 1 2 . 1 1 20 20 PRO HA H 177 4.439 4.439 4.959 -0.520 18244 555 1 2 . 1 1 20 20 PRO C C 177 179.700 179.700 175.834 3.866 18244 556 1 2 . 1 1 20 20 PRO CA C 177 62.900 62.900 61.981 0.919 18244 557 1 2 . 1 1 20 20 PRO CB C 177 31.400 31.400 32.191 -0.790 18244 558 1 2 . 1 1 21 21 ILE N N 178 128.957 128.957 124.096 4.861 18244 559 1 2 . 1 1 21 21 ILE HA H 178 3.571 3.571 3.688 -0.117 18244 560 1 2 . 1 1 21 21 ILE CA C 178 59.700 59.700 59.581 0.119 18244 561 1 2 . 1 1 21 21 ILE CB C 178 39.300 39.300 37.195 2.105 18244 562 1 2 . 1 1 21 21 ILE H H 178 8.659 8.659 8.123 0.536 18244 563 1 2 . 1 1 22 22 PRO HA H 179 4.298 4.298 4.357 -0.059 18244 564 1 2 . 1 1 22 22 PRO C C 179 180.600 180.600 177.319 3.281 18244 565 1 2 . 1 1 22 22 PRO CA C 179 62.900 62.900 62.039 0.861 18244 566 1 2 . 1 1 22 22 PRO CB C 179 32.600 32.600 32.572 0.028 18244 567 1 2 . 1 1 23 23 LYS N N 180 126.052 126.052 122.272 3.780 18244 568 1 2 . 1 1 23 23 LYS HA H 180 3.848 3.848 3.891 -0.043 18244 569 1 2 . 1 1 23 23 LYS C C 180 180.300 180.300 178.887 1.413 18244 570 1 2 . 1 1 23 23 LYS CA C 180 60.200 60.200 59.922 0.278 18244 571 1 2 . 1 1 23 23 LYS CB C 180 32.400 32.400 32.010 0.390 18244 572 1 2 . 1 1 23 23 LYS H H 180 8.871 8.871 8.585 0.286 18244 573 1 2 . 1 1 24 24 GLN N N 181 115.658 115.658 117.824 -2.166 18244 574 1 2 . 1 1 24 24 GLN HA H 181 4.102 4.102 4.083 0.019 18244 575 1 2 . 1 1 24 24 GLN C C 181 179.000 179.000 177.899 1.101 18244 576 1 2 . 1 1 24 24 GLN CA C 181 58.600 58.600 58.902 -0.302 18244 577 1 2 . 1 1 24 24 GLN CB C 181 27.400 27.400 28.280 -0.881 18244 578 1 2 . 1 1 24 24 GLN H H 181 9.038 9.038 8.457 0.581 18244 579 1 2 . 1 1 25 25 LEU N N 182 117.088 117.088 118.860 -1.772 18244 580 1 2 . 1 1 25 25 LEU HA H 182 4.231 4.231 4.112 0.119 18244 581 1 2 . 1 1 25 25 LEU C C 182 180.300 180.300 179.685 0.615 18244 582 1 2 . 1 1 25 25 LEU CA C 182 56.600 56.600 56.741 -0.141 18244 583 1 2 . 1 1 25 25 LEU CB C 182 40.900 40.900 41.920 -1.020 18244 584 1 2 . 1 1 25 25 LEU H H 182 7.309 7.309 7.558 -0.249 18244 585 1 2 . 1 1 26 26 LEU N N 183 120.917 120.917 120.585 0.332 18244 586 1 2 . 1 1 26 26 LEU HA H 183 3.699 3.699 3.927 -0.228 18244 587 1 2 . 1 1 26 26 LEU C C 183 181.300 181.300 179.232 2.068 18244 588 1 2 . 1 1 26 26 LEU CA C 183 57.900 57.900 57.532 0.368 18244 589 1 2 . 1 1 26 26 LEU CB C 183 42.400 42.400 41.471 0.929 18244 590 1 2 . 1 1 26 26 LEU H H 183 7.842 7.842 8.077 -0.235 18244 591 1 2 . 1 1 27 27 GLN N N 184 112.112 112.112 117.051 -4.939 18244 592 1 2 . 1 1 27 27 GLN HA H 184 4.082 4.082 4.179 -0.097 18244 593 1 2 . 1 1 27 27 GLN C C 184 178.800 178.800 177.385 1.415 18244 594 1 2 . 1 1 27 27 GLN CA C 184 57.300 57.300 57.409 -0.109 18244 595 1 2 . 1 1 27 27 GLN CB C 184 28.500 28.500 27.643 0.857 18244 596 1 2 . 1 1 27 27 GLN H H 184 7.505 7.505 7.898 -0.393 18244 597 1 2 . 1 1 28 28 ARG N N 185 116.659 116.659 118.401 -1.742 18244 598 1 2 . 1 1 28 28 ARG HA H 185 4.187 4.187 4.326 -0.139 18244 599 1 2 . 1 1 28 28 ARG C C 185 177.900 177.900 175.990 1.910 18244 600 1 2 . 1 1 28 28 ARG CA C 185 56.600 56.600 56.420 0.180 18244 601 1 2 . 1 1 28 28 ARG CB C 185 30.700 30.700 31.103 -0.403 18244 602 1 2 . 1 1 28 28 ARG H H 185 7.488 7.488 7.663 -0.175 18244 603 1 2 . 1 1 29 29 ILE N N 186 121.078 121.078 120.132 0.946 18244 604 1 2 . 1 1 29 29 ILE HA H 186 4.352 4.352 4.584 -0.232 18244 605 1 2 . 1 1 29 29 ILE CA C 186 59.300 59.300 58.503 0.797 18244 606 1 2 . 1 1 29 29 ILE CB C 186 37.800 37.800 38.047 -0.247 18244 607 1 2 . 1 1 29 29 ILE H H 186 7.630 7.630 7.441 0.189 18244 608 1 2 . 1 1 30 30 PRO HA H 187 4.256 4.256 4.774 -0.518 18244 609 1 2 . 1 1 30 30 PRO C C 187 178.500 178.500 177.076 1.424 18244 610 1 2 . 1 1 30 30 PRO CA C 187 64.100 64.100 61.833 2.267 18244 611 1 2 . 1 1 30 30 PRO CB C 187 32.400 32.400 32.569 -0.169 18244 612 1 2 . 1 1 31 31 ASN N N 188 110.335 110.335 114.308 -3.973 18244 613 1 2 . 1 1 31 31 ASN HA H 188 4.398 4.398 4.495 -0.097 18244 614 1 2 . 1 1 31 31 ASN C C 188 177.500 177.500 174.296 3.204 18244 615 1 2 . 1 1 31 31 ASN CA C 188 54.400 54.400 54.734 -0.334 18244 616 1 2 . 1 1 31 31 ASN CB C 188 37.700 37.700 37.750 -0.050 18244 617 1 2 . 1 1 31 31 ASN H H 188 8.464 8.464 8.838 -0.374 18244 618 1 2 . 1 1 32 32 ILE N N 189 117.608 117.608 116.168 1.440 18244 619 1 2 . 1 1 32 32 ILE HA H 189 4.416 4.416 4.632 -0.216 18244 620 1 2 . 1 1 32 32 ILE CA C 189 58.100 58.100 58.049 0.051 18244 621 1 2 . 1 1 32 32 ILE CB C 189 38.600 38.600 40.055 -1.455 18244 622 1 2 . 1 1 32 32 ILE H H 189 7.325 7.325 7.204 0.121 18244 623 1 2 . 1 1 33 33 PRO HA H 190 4.749 4.749 4.891 -0.142 18244 624 1 2 . 1 1 33 33 PRO CA C 190 61.700 61.700 61.577 0.123 18244 625 1 2 . 1 1 33 33 PRO CB C 190 31.000 31.000 31.179 -0.179 18244 626 1 2 . 1 1 34 34 PRO HA H 191 4.391 4.391 4.365 0.026 18244 627 1 2 . 1 1 34 34 PRO C C 191 178.600 178.600 176.969 1.631 18244 628 1 2 . 1 1 34 34 PRO CA C 191 63.700 63.700 63.837 -0.137 18244 629 1 2 . 1 1 34 34 PRO CB C 191 32.000 32.000 32.347 -0.347 18244 630 1 2 . 1 1 35 35 ASN N N 192 112.827 112.827 114.177 -1.350 18244 631 1 2 . 1 1 35 35 ASN HA H 192 4.456 4.456 4.527 -0.071 18244 632 1 2 . 1 1 35 35 ASN C C 192 176.500 176.500 173.774 2.726 18244 633 1 2 . 1 1 35 35 ASN CA C 192 53.700 53.700 53.765 -0.065 18244 634 1 2 . 1 1 35 35 ASN CB C 192 37.300 37.300 38.458 -1.158 18244 635 1 2 . 1 1 35 35 ASN H H 192 8.256 8.256 8.774 -0.518 18244 636 1 2 . 1 1 36 36 ILE N N 193 119.133 119.133 112.586 6.547 18244 637 1 2 . 1 1 36 36 ILE HA H 193 4.144 4.144 4.219 -0.075 18244 638 1 2 . 1 1 36 36 ILE C C 193 177.200 177.200 173.269 3.931 18244 639 1 2 . 1 1 36 36 ILE CA C 193 59.100 59.100 59.351 -0.251 18244 640 1 2 . 1 1 36 36 ILE CB C 193 37.000 37.000 39.224 -2.224 18244 641 1 2 . 1 1 36 36 ILE H H 193 7.166 7.166 7.314 -0.148 18244 642 1 2 . 1 1 37 37 ASN N N 194 121.068 121.068 115.749 5.319 18244 643 1 2 . 1 1 37 37 ASN HA H 194 4.667 4.667 4.697 -0.030 18244 644 1 2 . 1 1 37 37 ASN C C 194 175.600 175.600 174.119 1.481 18244 645 1 2 . 1 1 37 37 ASN CA C 194 53.400 53.400 53.241 0.159 18244 646 1 2 . 1 1 37 37 ASN CB C 194 40.400 40.400 40.790 -0.390 18244 647 1 2 . 1 1 37 37 ASN H H 194 8.764 8.764 8.337 0.427 18244 648 1 2 . 1 1 38 38 THR N N 195 106.795 106.795 115.443 -8.648 18244 649 1 2 . 1 1 38 38 THR HA H 195 4.924 4.924 4.391 0.533 18244 650 1 2 . 1 1 38 38 THR C C 195 178.000 178.000 175.409 2.591 18244 651 1 2 . 1 1 38 38 THR CA C 195 58.800 58.800 63.283 -4.484 18244 652 1 2 . 1 1 38 38 THR CB C 195 73.500 73.500 68.706 4.794 18244 653 1 2 . 1 1 38 38 THR H H 195 7.527 7.527 7.885 -0.358 18244 654 1 2 . 1 1 39 39 TRP N N 196 123.744 123.744 127.694 -3.950 18244 655 1 2 . 1 1 39 39 TRP HA H 196 4.533 4.533 4.075 0.458 18244 656 1 2 . 1 1 39 39 TRP C C 196 182.300 182.300 178.494 3.806 18244 657 1 2 . 1 1 39 39 TRP CA C 196 60.100 60.100 61.345 -1.245 18244 658 1 2 . 1 1 39 39 TRP CB C 196 29.400 29.400 29.151 0.249 18244 659 1 2 . 1 1 39 39 TRP H H 196 10.363 10.363 8.970 1.393 18244 660 1 2 . 1 1 40 40 GLN N N 197 120.207 120.207 117.732 2.475 18244 661 1 2 . 1 1 40 40 GLN HA H 197 4.268 4.268 4.027 0.241 18244 662 1 2 . 1 1 40 40 GLN C C 197 180.900 180.900 177.602 3.298 18244 663 1 2 . 1 1 40 40 GLN CA C 197 59.500 59.500 58.849 0.651 18244 664 1 2 . 1 1 40 40 GLN CB C 197 28.500 28.500 28.252 0.248 18244 665 1 2 . 1 1 40 40 GLN H H 197 8.550 8.550 8.677 -0.127 18244 666 1 2 . 1 1 41 41 GLN N N 198 118.163 118.163 115.911 2.252 18244 667 1 2 . 1 1 41 41 GLN HA H 198 4.191 4.191 4.254 -0.063 18244 668 1 2 . 1 1 41 41 GLN C C 198 181.500 181.500 178.355 3.145 18244 669 1 2 . 1 1 41 41 GLN CA C 198 58.500 58.500 57.640 0.860 18244 670 1 2 . 1 1 41 41 GLN CB C 198 30.400 30.400 29.419 0.981 18244 671 1 2 . 1 1 41 41 GLN H H 198 7.594 7.594 7.761 -0.167 18244 672 1 2 . 1 1 42 42 VAL N N 199 121.112 121.112 119.848 1.264 18244 673 1 2 . 1 1 42 42 VAL HA H 199 3.479 3.479 3.831 -0.352 18244 674 1 2 . 1 1 42 42 VAL C C 199 180.000 180.000 177.913 2.087 18244 675 1 2 . 1 1 42 42 VAL CA C 199 67.500 67.500 65.692 1.808 18244 676 1 2 . 1 1 42 42 VAL CB C 199 32.000 32.000 31.681 0.319 18244 677 1 2 . 1 1 42 42 VAL H H 199 8.116 8.116 7.821 0.295 18244 678 1 2 . 1 1 43 43 THR N N 200 113.870 113.870 113.194 0.676 18244 679 1 2 . 1 1 43 43 THR HA H 200 3.904 3.904 4.223 -0.319 18244 680 1 2 . 1 1 43 43 THR C C 200 178.900 178.900 175.864 3.036 18244 681 1 2 . 1 1 43 43 THR CA C 200 67.000 67.000 65.110 1.890 18244 682 1 2 . 1 1 43 43 THR CB C 200 68.500 68.500 68.693 -0.193 18244 683 1 2 . 1 1 43 43 THR H H 200 8.726 8.726 8.466 0.260 18244 684 1 2 . 1 1 44 44 ALA N N 201 124.369 124.369 124.349 0.020 18244 685 1 2 . 1 1 44 44 ALA HA H 201 4.280 4.280 4.132 0.148 18244 686 1 2 . 1 1 44 44 ALA C C 201 182.700 182.700 179.359 3.341 18244 687 1 2 . 1 1 44 44 ALA CA C 201 55.500 55.500 54.961 0.539 18244 688 1 2 . 1 1 44 44 ALA CB C 201 17.900 17.900 18.048 -0.148 18244 689 1 2 . 1 1 44 44 ALA H H 201 7.539 7.539 7.929 -0.390 18244 690 1 2 . 1 1 45 45 LEU N N 202 117.896 117.896 115.429 2.467 18244 691 1 2 . 1 1 45 45 LEU HA H 202 4.068 4.068 4.588 -0.520 18244 692 1 2 . 1 1 45 45 LEU C C 202 182.200 182.200 178.428 3.772 18244 693 1 2 . 1 1 45 45 LEU CA C 202 58.100 58.100 57.122 0.978 18244 694 1 2 . 1 1 45 45 LEU CB C 202 41.800 41.800 40.950 0.850 18244 695 1 2 . 1 1 45 45 LEU H H 202 7.716 7.716 7.600 0.116 18244 696 1 2 . 1 1 46 46 ALA N N 203 121.746 121.746 120.740 1.006 18244 697 1 2 . 1 1 46 46 ALA HA H 203 4.184 4.184 4.145 0.039 18244 698 1 2 . 1 1 46 46 ALA C C 203 184.300 184.300 180.091 4.209 18244 699 1 2 . 1 1 46 46 ALA CA C 203 55.400 55.400 54.769 0.631 18244 700 1 2 . 1 1 46 46 ALA CB C 203 18.100 18.100 18.202 -0.102 18244 701 1 2 . 1 1 46 46 ALA H H 203 8.117 8.117 7.758 0.359 18244 702 1 2 . 1 1 47 47 GLN N N 204 120.247 120.247 118.909 1.338 18244 703 1 2 . 1 1 47 47 GLN HA H 204 4.088 4.088 4.086 0.002 18244 704 1 2 . 1 1 47 47 GLN C C 204 180.100 180.100 177.917 2.183 18244 705 1 2 . 1 1 47 47 GLN CA C 204 58.900 58.900 58.224 0.676 18244 706 1 2 . 1 1 47 47 GLN CB C 204 28.500 28.500 28.674 -0.174 18244 707 1 2 . 1 1 47 47 GLN H H 204 8.515 8.515 7.801 0.714 18244 708 1 2 . 1 1 48 48 GLN N N 205 116.167 116.167 117.343 -1.176 18244 709 1 2 . 1 1 48 48 GLN HA H 205 4.290 4.290 4.296 -0.006 18244 710 1 2 . 1 1 48 48 GLN C C 205 176.700 176.700 175.110 1.590 18244 711 1 2 . 1 1 48 48 GLN CA C 205 55.900 55.900 55.641 0.259 18244 712 1 2 . 1 1 48 48 GLN CB C 205 30.000 30.000 28.866 1.134 18244 713 1 2 . 1 1 48 48 GLN H H 205 7.534 7.534 7.631 -0.097 18244 714 1 2 . 1 1 49 49 LYS N N 206 113.354 113.354 115.715 -2.361 18244 715 1 2 . 1 1 49 49 LYS HA H 206 4.118 4.118 3.950 0.168 18244 716 1 2 . 1 1 49 49 LYS C C 206 178.700 178.700 175.820 2.880 18244 717 1 2 . 1 1 49 49 LYS CA C 206 57.500 57.500 57.450 0.050 18244 718 1 2 . 1 1 49 49 LYS CB C 206 28.300 28.300 29.211 -0.911 18244 719 1 2 . 1 1 49 49 LYS H H 206 7.957 7.957 7.837 0.120 18244 720 1 2 . 1 1 50 50 LEU N N 207 116.944 116.944 116.316 0.628 18244 721 1 2 . 1 1 50 50 LEU HA H 207 4.423 4.423 4.373 0.050 18244 722 1 2 . 1 1 50 50 LEU C C 207 180.000 180.000 176.211 3.789 18244 723 1 2 . 1 1 50 50 LEU CA C 207 55.300 55.300 54.504 0.796 18244 724 1 2 . 1 1 50 50 LEU CB C 207 42.500 42.500 42.818 -0.318 18244 725 1 2 . 1 1 50 50 LEU H H 207 8.016 8.016 7.599 0.417 18244 726 1 2 . 1 1 51 51 LEU N N 208 117.793 117.793 121.514 -3.721 18244 727 1 2 . 1 1 51 51 LEU HA H 208 4.922 4.922 4.677 0.245 18244 728 1 2 . 1 1 51 51 LEU C C 208 179.000 179.000 176.328 2.672 18244 729 1 2 . 1 1 51 51 LEU CA C 208 53.400 53.400 53.852 -0.452 18244 730 1 2 . 1 1 51 51 LEU CB C 208 44.500 44.500 44.611 -0.111 18244 731 1 2 . 1 1 51 51 LEU H H 208 7.109 7.109 7.634 -0.525 18244 732 1 2 . 1 1 52 52 THR N N 209 115.695 115.695 117.391 -1.696 18244 733 1 2 . 1 1 52 52 THR HA H 209 4.623 4.623 4.949 -0.326 18244 734 1 2 . 1 1 52 52 THR CA C 209 60.700 60.700 58.940 1.760 18244 735 1 2 . 1 1 52 52 THR CB C 209 69.000 69.000 69.603 -0.603 18244 736 1 2 . 1 1 52 52 THR H H 209 9.460 9.460 9.583 -0.123 18244 737 1 2 . 1 1 53 53 PRO HA H 210 4.275 4.275 4.149 0.126 18244 738 1 2 . 1 1 53 53 PRO C C 210 181.700 181.700 178.410 3.290 18244 739 1 2 . 1 1 53 53 PRO CA C 210 66.000 66.000 65.268 0.732 18244 740 1 2 . 1 1 53 53 PRO CB C 210 31.600 31.600 31.809 -0.209 18244 741 1 2 . 1 1 54 54 GLN N N 211 116.837 116.837 117.028 -0.191 18244 742 1 2 . 1 1 54 54 GLN HA H 211 4.119 4.119 4.107 0.012 18244 743 1 2 . 1 1 54 54 GLN C C 211 181.500 181.500 178.212 3.288 18244 744 1 2 . 1 1 54 54 GLN CA C 211 59.800 59.800 58.985 0.815 18244 745 1 2 . 1 1 54 54 GLN CB C 211 28.100 28.100 28.256 -0.156 18244 746 1 2 . 1 1 54 54 GLN H H 211 8.229 8.229 8.726 -0.497 18244 747 1 2 . 1 1 55 55 ASP N N 212 123.621 123.621 120.138 3.483 18244 748 1 2 . 1 1 55 55 ASP HA H 212 4.353 4.353 4.451 -0.098 18244 749 1 2 . 1 1 55 55 ASP C C 212 181.100 181.100 178.211 2.889 18244 750 1 2 . 1 1 55 55 ASP CA C 212 57.900 57.900 56.825 1.075 18244 751 1 2 . 1 1 55 55 ASP CB C 212 41.700 41.700 40.661 1.039 18244 752 1 2 . 1 1 55 55 ASP H H 212 7.957 7.957 7.807 0.150 18244 753 1 2 . 1 1 56 56 MET N N 213 117.263 117.263 119.395 -2.132 18244 754 1 2 . 1 1 56 56 MET HA H 213 4.380 4.380 4.115 0.265 18244 755 1 2 . 1 1 56 56 MET C C 213 181.000 181.000 178.445 2.555 18244 756 1 2 . 1 1 56 56 MET CA C 213 57.100 57.100 59.761 -2.661 18244 757 1 2 . 1 1 56 56 MET CB C 213 31.200 31.200 32.533 -1.333 18244 758 1 2 . 1 1 56 56 MET H H 213 8.314 8.314 7.888 0.426 18244 759 1 2 . 1 1 57 57 GLU N N 214 120.570 120.570 118.046 2.524 18244 760 1 2 . 1 1 57 57 GLU HA H 214 4.085 4.085 4.122 -0.037 18244 761 1 2 . 1 1 57 57 GLU C C 214 181.700 181.700 178.390 3.310 18244 762 1 2 . 1 1 57 57 GLU CA C 214 59.500 59.500 59.288 0.212 18244 763 1 2 . 1 1 57 57 GLU CB C 214 29.300 29.300 29.276 0.024 18244 764 1 2 . 1 1 57 57 GLU H H 214 8.039 8.039 7.934 0.105 18244 765 1 2 . 1 1 58 58 ALA N N 215 121.915 121.915 121.163 0.752 18244 766 1 2 . 1 1 58 58 ALA HA H 215 4.361 4.361 4.393 -0.032 18244 767 1 2 . 1 1 58 58 ALA C C 215 182.800 182.800 179.278 3.522 18244 768 1 2 . 1 1 58 58 ALA CA C 215 55.100 55.100 54.336 0.764 18244 769 1 2 . 1 1 58 58 ALA CB C 215 18.500 18.500 18.564 -0.064 18244 770 1 2 . 1 1 58 58 ALA H H 215 7.571 7.571 7.285 0.286 18244 771 1 2 . 1 1 59 59 ALA N N 216 120.749 120.749 121.974 -1.225 18244 772 1 2 . 1 1 59 59 ALA HA H 216 4.137 4.137 4.202 -0.065 18244 773 1 2 . 1 1 59 59 ALA C C 216 180.800 180.800 179.522 1.278 18244 774 1 2 . 1 1 59 59 ALA CA C 216 55.700 55.700 55.468 0.232 18244 775 1 2 . 1 1 59 59 ALA CB C 216 18.100 18.100 18.565 -0.465 18244 776 1 2 . 1 1 59 59 ALA H H 216 8.728 8.728 8.468 0.260 18244 777 1 2 . 1 1 60 60 LYS N N 217 117.415 117.415 117.592 -0.177 18244 778 1 2 . 1 1 60 60 LYS HA H 217 3.700 3.700 4.077 -0.377 18244 779 1 2 . 1 1 60 60 LYS C C 217 181.300 181.300 178.861 2.439 18244 780 1 2 . 1 1 60 60 LYS CA C 217 60.200 60.200 59.416 0.784 18244 781 1 2 . 1 1 60 60 LYS CB C 217 32.600 32.600 31.914 0.686 18244 782 1 2 . 1 1 60 60 LYS H H 217 8.292 8.292 8.290 0.002 18244 783 1 2 . 1 1 61 61 GLN N N 218 118.499 118.499 119.836 -1.337 18244 784 1 2 . 1 1 61 61 GLN HA H 218 4.171 4.171 4.153 0.018 18244 785 1 2 . 1 1 61 61 GLN C C 218 181.500 181.500 178.523 2.977 18244 786 1 2 . 1 1 61 61 GLN CA C 218 59.200 59.200 58.716 0.484 18244 787 1 2 . 1 1 61 61 GLN CB C 218 29.400 29.400 28.830 0.570 18244 788 1 2 . 1 1 61 61 GLN H H 218 7.401 7.401 7.683 -0.282 18244 789 1 2 . 1 1 62 62 VAL N N 219 119.685 119.685 120.469 -0.784 18244 790 1 2 . 1 1 62 62 VAL HA H 219 3.746 3.746 3.747 -0.001 18244 791 1 2 . 1 1 62 62 VAL C C 219 179.400 179.400 178.249 1.151 18244 792 1 2 . 1 1 62 62 VAL CA C 219 66.800 66.800 66.885 -0.085 18244 793 1 2 . 1 1 62 62 VAL CB C 219 31.900 31.900 31.374 0.526 18244 794 1 2 . 1 1 62 62 VAL H H 219 8.036 8.036 7.969 0.067 18244 795 1 2 . 1 1 63 63 TYR N N 220 123.794 123.794 120.676 3.118 18244 796 1 2 . 1 1 63 63 TYR HA H 220 3.725 3.725 4.570 -0.845 18244 797 1 2 . 1 1 63 63 TYR C C 220 179.300 179.300 178.290 1.010 18244 798 1 2 . 1 1 63 63 TYR CA C 220 62.200 62.200 59.934 2.266 18244 799 1 2 . 1 1 63 63 TYR CB C 220 38.000 38.000 37.848 0.152 18244 800 1 2 . 1 1 63 63 TYR H H 220 8.802 8.802 8.520 0.282 18244 801 1 2 . 1 1 64 64 LYS N N 221 117.772 117.772 118.920 -1.148 18244 802 1 2 . 1 1 64 64 LYS HA H 221 3.864 3.864 3.994 -0.130 18244 803 1 2 . 1 1 64 64 LYS C C 221 181.700 181.700 179.268 2.432 18244 804 1 2 . 1 1 64 64 LYS CA C 221 59.800 59.800 59.704 0.096 18244 805 1 2 . 1 1 64 64 LYS CB C 221 32.200 32.200 32.576 -0.376 18244 806 1 2 . 1 1 64 64 LYS H H 221 7.452 7.452 7.577 -0.125 18244 807 1 2 . 1 1 65 65 ILE N N 222 119.985 119.985 119.747 0.238 18244 808 1 2 . 1 1 65 65 ILE HA H 222 3.757 3.757 3.900 -0.143 18244 809 1 2 . 1 1 65 65 ILE C C 222 180.700 180.700 177.692 3.008 18244 810 1 2 . 1 1 65 65 ILE CA C 222 65.000 65.000 65.141 -0.141 18244 811 1 2 . 1 1 65 65 ILE CB C 222 38.200 38.200 38.010 0.190 18244 812 1 2 . 1 1 65 65 ILE H H 222 7.673 7.673 7.846 -0.173 18244 813 1 2 . 1 1 66 66 HIS N N 223 121.506 121.506 119.290 2.216 18244 814 1 2 . 1 1 66 66 HIS HA H 223 4.343 4.343 4.203 0.140 18244 815 1 2 . 1 1 66 66 HIS C C 223 179.400 179.400 177.611 1.789 18244 816 1 2 . 1 1 66 66 HIS CA C 223 57.500 57.500 59.143 -1.643 18244 817 1 2 . 1 1 66 66 HIS CB C 223 32.800 32.800 30.354 2.446 18244 818 1 2 . 1 1 66 66 HIS H H 223 8.943 8.943 8.328 0.615 18244 819 1 2 . 1 1 67 67 GLN N N 224 117.421 117.421 117.822 -0.401 18244 820 1 2 . 1 1 67 67 GLN HA H 224 3.720 3.720 4.067 -0.347 18244 821 1 2 . 1 1 67 67 GLN C C 224 180.200 180.200 178.228 1.972 18244 822 1 2 . 1 1 67 67 GLN CA C 224 59.800 59.800 58.969 0.831 18244 823 1 2 . 1 1 67 67 GLN CB C 224 29.500 29.500 28.552 0.948 18244 824 1 2 . 1 1 67 67 GLN H H 224 8.526 8.526 7.826 0.700 18244 825 1 2 . 1 1 68 68 GLN N N 225 117.385 117.385 118.289 -0.904 18244 826 1 2 . 1 1 68 68 GLN HA H 225 4.017 4.017 4.193 -0.176 18244 827 1 2 . 1 1 68 68 GLN C C 225 181.100 181.100 178.285 2.815 18244 828 1 2 . 1 1 68 68 GLN CA C 225 59.200 59.200 58.340 0.860 18244 829 1 2 . 1 1 68 68 GLN CB C 225 28.400 28.400 28.475 -0.075 18244 830 1 2 . 1 1 68 68 GLN H H 225 7.673 7.673 7.708 -0.035 18244 831 1 2 . 1 1 69 69 LEU N N 226 120.608 120.608 121.752 -1.144 18244 832 1 2 . 1 1 69 69 LEU HA H 226 4.126 4.126 4.179 -0.053 18244 833 1 2 . 1 1 69 69 LEU C C 226 182.700 182.700 178.099 4.601 18244 834 1 2 . 1 1 69 69 LEU CA C 226 58.200 58.200 57.749 0.451 18244 835 1 2 . 1 1 69 69 LEU CB C 226 42.000 42.000 41.718 0.282 18244 836 1 2 . 1 1 69 69 LEU H H 226 8.227 8.227 7.537 0.690 18244 837 1 2 . 1 1 70 70 LEU N N 227 120.607 120.607 118.227 2.380 18244 838 1 2 . 1 1 70 70 LEU HA H 227 4.108 4.108 4.010 0.098 18244 839 1 2 . 1 1 70 70 LEU C C 227 181.900 181.900 179.189 2.711 18244 840 1 2 . 1 1 70 70 LEU CA C 227 57.700 57.700 57.606 0.094 18244 841 1 2 . 1 1 70 70 LEU CB C 227 41.900 41.900 41.456 0.444 18244 842 1 2 . 1 1 70 70 LEU H H 227 8.273 8.273 7.449 0.824 18244 843 1 2 . 1 1 71 71 PHE N N 228 119.975 119.975 120.176 -0.201 18244 844 1 2 . 1 1 71 71 PHE HA H 228 4.315 4.315 4.124 0.191 18244 845 1 2 . 1 1 71 71 PHE C C 228 180.100 180.100 176.811 3.289 18244 846 1 2 . 1 1 71 71 PHE CA C 228 60.200 60.200 61.097 -0.897 18244 847 1 2 . 1 1 71 71 PHE CB C 228 39.000 39.000 39.077 -0.077 18244 848 1 2 . 1 1 71 71 PHE H H 228 8.469 8.469 7.363 1.106 18244 849 1 2 . 1 1 72 72 LYS N N 229 119.148 119.148 119.084 0.064 18244 850 1 2 . 1 1 72 72 LYS HA H 229 4.012 4.012 3.733 0.279 18244 851 1 2 . 1 1 72 72 LYS C C 229 180.400 180.400 178.715 1.685 18244 852 1 2 . 1 1 72 72 LYS CA C 229 58.800 58.800 59.778 -0.978 18244 853 1 2 . 1 1 72 72 LYS CB C 229 32.300 32.300 32.074 0.226 18244 854 1 2 . 1 1 72 72 LYS H H 229 8.143 8.143 8.064 0.079 18244 855 1 2 . 1 1 73 73 ALA N N 230 121.483 121.483 119.406 2.077 18244 856 1 2 . 1 1 73 73 ALA HA H 230 4.224 4.224 4.075 0.149 18244 857 1 2 . 1 1 73 73 ALA C C 230 181.600 181.600 178.421 3.179 18244 858 1 2 . 1 1 73 73 ALA CA C 230 54.200 54.200 54.609 -0.409 18244 859 1 2 . 1 1 73 73 ALA CB C 230 18.500 18.500 18.501 -0.001 18244 860 1 2 . 1 1 73 73 ALA H H 230 7.886 7.886 7.503 0.383 18244 861 1 2 . 1 1 74 74 ARG N N 231 118.073 118.073 117.021 1.052 18244 862 1 2 . 1 1 74 74 ARG HA H 231 4.189 4.189 4.123 0.066 18244 863 1 2 . 1 1 74 74 ARG C C 231 179.900 179.900 177.986 1.914 18244 864 1 2 . 1 1 74 74 ARG CA C 231 57.600 57.600 57.760 -0.160 18244 865 1 2 . 1 1 74 74 ARG CB C 231 30.100 30.100 30.489 -0.390 18244 866 1 2 . 1 1 74 74 ARG H H 231 7.849 7.849 7.300 0.549 18244 867 1 2 . 1 1 75 75 LEU N N 232 120.575 120.575 120.549 0.026 18244 868 1 2 . 1 1 75 75 LEU HA H 232 4.181 4.181 4.125 0.056 18244 869 1 2 . 1 1 75 75 LEU C C 232 180.600 180.600 177.105 3.495 18244 870 1 2 . 1 1 75 75 LEU CA C 232 56.400 56.400 56.175 0.225 18244 871 1 2 . 1 1 75 75 LEU CB C 232 42.000 42.000 42.522 -0.522 18244 872 1 2 . 1 1 75 75 LEU H H 232 7.847 7.847 7.546 0.301 18244 873 1 2 . 1 1 76 76 GLN N N 233 118.890 118.890 118.235 0.655 18244 874 1 2 . 1 1 76 76 GLN HA H 233 4.220 4.220 4.261 -0.041 18244 875 1 2 . 1 1 76 76 GLN C C 233 179.100 179.100 176.063 3.037 18244 876 1 2 . 1 1 76 76 GLN CA C 233 56.900 56.900 55.744 1.156 18244 877 1 2 . 1 1 76 76 GLN CB C 233 29.000 29.000 28.270 0.730 18244 878 1 2 . 1 1 76 76 GLN H H 233 8.008 8.008 7.942 0.066 18244 879 1 2 . 1 1 77 77 GLN N N 234 119.836 119.836 123.088 -3.252 18244 880 1 2 . 1 1 77 77 GLN HA H 234 4.263 4.263 4.346 -0.083 18244 881 1 2 . 1 1 77 77 GLN C C 234 178.700 178.700 177.366 1.334 18244 882 1 2 . 1 1 77 77 GLN CA C 234 56.700 56.700 56.807 -0.107 18244 883 1 2 . 1 1 77 77 GLN CB C 234 29.100 29.100 29.491 -0.391 18244 884 1 2 . 1 1 77 77 GLN H H 234 8.078 8.078 8.674 -0.596 18244 885 1 2 . 1 1 78 78 GLN N N 235 120.341 120.341 118.416 1.925 18244 886 1 2 . 1 1 78 78 GLN HA H 235 4.288 4.288 4.260 0.028 18244 887 1 2 . 1 1 78 78 GLN C C 235 178.400 178.400 177.064 1.336 18244 888 1 2 . 1 1 78 78 GLN CA C 235 56.400 56.400 56.891 -0.491 18244 889 1 2 . 1 1 78 78 GLN CB C 235 29.300 29.300 29.724 -0.424 18244 890 1 2 . 1 1 78 78 GLN H H 235 8.226 8.226 7.851 0.375 18244 891 1 2 . 1 1 79 79 GLN N N 236 120.708 120.708 118.629 2.079 18244 892 1 2 . 1 1 79 79 GLN HA H 236 4.316 4.316 4.519 -0.203 18244 893 1 2 . 1 1 79 79 GLN C C 236 177.800 177.800 174.267 3.533 18244 894 1 2 . 1 1 79 79 GLN CA C 236 55.900 55.900 54.751 1.149 18244 895 1 2 . 1 1 79 79 GLN CB C 236 29.500 29.500 29.917 -0.417 18244 896 1 2 . 1 1 79 79 GLN H H 236 8.253 8.253 8.239 0.014 18244 897 1 2 . 1 1 80 80 ALA N N 237 125.698 125.698 127.497 -1.799 18244 898 1 2 . 1 1 80 80 ALA HA H 237 4.336 4.336 4.259 0.077 18244 899 1 2 . 1 1 80 80 ALA C C 237 179.000 179.000 176.966 2.034 18244 900 1 2 . 1 1 80 80 ALA CA C 237 52.800 52.800 52.342 0.458 18244 901 1 2 . 1 1 80 80 ALA CB C 237 19.300 19.300 18.618 0.682 18244 902 1 2 . 1 1 80 80 ALA H H 237 8.237 8.237 8.489 -0.252 18244 903 1 3 . 1 1 2 2 ARG HA H 159 4.353 4.353 4.474 -0.121 18244 904 1 3 . 1 1 2 2 ARG C C 159 178.200 178.200 175.964 2.236 18244 905 1 3 . 1 1 2 2 ARG CA C 159 56.300 56.300 57.203 -0.903 18244 906 1 3 . 1 1 2 2 ARG CB C 159 30.900 30.900 30.897 0.003 18244 907 1 3 . 1 1 3 3 ARG N N 160 123.623 123.623 121.030 2.593 18244 908 1 3 . 1 1 3 3 ARG HA H 160 4.306 4.306 4.484 -0.178 18244 909 1 3 . 1 1 3 3 ARG C C 160 178.000 178.000 175.010 2.990 18244 910 1 3 . 1 1 3 3 ARG CA C 160 56.100 56.100 55.361 0.739 18244 911 1 3 . 1 1 3 3 ARG CB C 160 31.000 31.000 31.264 -0.264 18244 912 1 3 . 1 1 3 3 ARG H H 160 8.558 8.558 7.881 0.677 18244 913 1 3 . 1 1 4 4 GLN N N 161 122.962 122.962 123.988 -1.026 18244 914 1 3 . 1 1 4 4 GLN HA H 161 4.355 4.355 4.353 0.002 18244 915 1 3 . 1 1 4 4 GLN C C 161 177.900 177.900 174.718 3.182 18244 916 1 3 . 1 1 4 4 GLN CA C 161 55.500 55.500 55.483 0.017 18244 917 1 3 . 1 1 4 4 GLN CB C 161 29.600 29.600 29.684 -0.084 18244 918 1 3 . 1 1 4 4 GLN H H 161 8.515 8.515 8.470 0.045 18244 919 1 3 . 1 1 5 5 LEU N N 162 124.755 124.755 124.828 -0.073 18244 920 1 3 . 1 1 5 5 LEU HA H 162 4.577 4.577 4.593 -0.016 18244 921 1 3 . 1 1 5 5 LEU C C 162 180.500 180.500 176.246 4.254 18244 922 1 3 . 1 1 5 5 LEU CA C 162 54.700 54.700 54.057 0.643 18244 923 1 3 . 1 1 5 5 LEU CB C 162 42.900 42.900 42.314 0.586 18244 924 1 3 . 1 1 5 5 LEU H H 162 8.480 8.480 8.299 0.181 18244 925 1 3 . 1 1 6 6 THR N N 163 114.727 114.727 114.532 0.195 18244 926 1 3 . 1 1 6 6 THR HA H 163 4.596 4.596 4.784 -0.188 18244 927 1 3 . 1 1 6 6 THR CA C 163 60.200 60.200 58.274 1.926 18244 928 1 3 . 1 1 6 6 THR CB C 163 68.200 68.200 69.925 -1.725 18244 929 1 3 . 1 1 6 6 THR H H 163 8.623 8.623 8.062 0.561 18244 930 1 3 . 1 1 7 7 PRO HA H 164 4.263 4.263 4.156 0.107 18244 931 1 3 . 1 1 7 7 PRO C C 164 181.600 181.600 178.544 3.056 18244 932 1 3 . 1 1 7 7 PRO CA C 164 65.900 65.900 65.487 0.413 18244 933 1 3 . 1 1 7 7 PRO CB C 164 31.600 31.600 31.779 -0.179 18244 934 1 3 . 1 1 8 8 GLN N N 165 116.429 116.429 116.289 0.140 18244 935 1 3 . 1 1 8 8 GLN HA H 165 4.063 4.063 4.239 -0.176 18244 936 1 3 . 1 1 8 8 GLN C C 165 181.300 181.300 178.586 2.714 18244 937 1 3 . 1 1 8 8 GLN CA C 165 59.500 59.500 58.513 0.987 18244 938 1 3 . 1 1 8 8 GLN CB C 165 28.300 28.300 27.893 0.407 18244 939 1 3 . 1 1 8 8 GLN H H 165 8.439 8.439 8.583 -0.144 18244 940 1 3 . 1 1 9 9 GLN N N 166 120.164 120.164 120.209 -0.045 18244 941 1 3 . 1 1 9 9 GLN HA H 166 3.948 3.948 4.042 -0.094 18244 942 1 3 . 1 1 9 9 GLN C C 166 180.600 180.600 178.470 2.130 18244 943 1 3 . 1 1 9 9 GLN CA C 166 58.700 58.700 58.769 -0.069 18244 944 1 3 . 1 1 9 9 GLN CB C 166 29.300 29.300 28.754 0.546 18244 945 1 3 . 1 1 9 9 GLN H H 166 7.760 7.760 7.787 -0.027 18244 946 1 3 . 1 1 10 10 GLN N N 167 119.164 119.164 118.773 0.391 18244 947 1 3 . 1 1 10 10 GLN HA H 167 3.860 3.860 4.003 -0.143 18244 948 1 3 . 1 1 10 10 GLN C C 167 180.300 180.300 178.608 1.692 18244 949 1 3 . 1 1 10 10 GLN CA C 167 58.600 58.600 59.310 -0.710 18244 950 1 3 . 1 1 10 10 GLN CB C 167 29.000 29.000 28.638 0.362 18244 951 1 3 . 1 1 10 10 GLN H H 167 8.787 8.787 8.260 0.527 18244 952 1 3 . 1 1 11 11 GLN N N 168 118.139 118.139 116.519 1.620 18244 953 1 3 . 1 1 11 11 GLN HA H 168 4.111 4.111 4.245 -0.134 18244 954 1 3 . 1 1 11 11 GLN C C 168 180.600 180.600 177.984 2.616 18244 955 1 3 . 1 1 11 11 GLN CA C 168 58.900 58.900 57.646 1.254 18244 956 1 3 . 1 1 11 11 GLN CB C 168 28.500 28.500 28.436 0.064 18244 957 1 3 . 1 1 11 11 GLN H H 168 7.987 7.987 7.792 0.195 18244 958 1 3 . 1 1 12 12 LEU N N 169 120.649 120.649 120.688 -0.039 18244 959 1 3 . 1 1 12 12 LEU HA H 169 4.138 4.138 4.084 0.054 18244 960 1 3 . 1 1 12 12 LEU C C 169 181.300 181.300 178.904 2.396 18244 961 1 3 . 1 1 12 12 LEU CA C 169 58.100 58.100 57.659 0.441 18244 962 1 3 . 1 1 12 12 LEU CB C 169 41.600 41.600 41.961 -0.361 18244 963 1 3 . 1 1 12 12 LEU H H 169 7.457 7.457 7.557 -0.100 18244 964 1 3 . 1 1 13 13 VAL N N 170 119.772 119.772 115.811 3.961 18244 965 1 3 . 1 1 13 13 VAL HA H 170 3.570 3.570 3.812 -0.242 18244 966 1 3 . 1 1 13 13 VAL C C 170 180.700 180.700 177.719 2.981 18244 967 1 3 . 1 1 13 13 VAL CA C 170 66.700 66.700 65.059 1.641 18244 968 1 3 . 1 1 13 13 VAL CB C 170 31.700 31.700 30.910 0.790 18244 969 1 3 . 1 1 13 13 VAL H H 170 8.101 8.101 7.610 0.491 18244 970 1 3 . 1 1 14 14 ASN N N 171 118.278 118.278 117.315 0.963 18244 971 1 3 . 1 1 14 14 ASN HA H 171 4.454 4.454 4.652 -0.198 18244 972 1 3 . 1 1 14 14 ASN C C 171 180.800 180.800 177.632 3.168 18244 973 1 3 . 1 1 14 14 ASN CA C 171 56.000 56.000 55.927 0.073 18244 974 1 3 . 1 1 14 14 ASN CB C 171 37.600 37.600 38.828 -1.228 18244 975 1 3 . 1 1 14 14 ASN H H 171 8.253 8.253 7.873 0.380 18244 976 1 3 . 1 1 15 15 GLN N N 172 120.079 120.079 118.046 2.033 18244 977 1 3 . 1 1 15 15 GLN HA H 172 4.152 4.152 4.251 -0.099 18244 978 1 3 . 1 1 15 15 GLN C C 172 181.100 181.100 176.329 4.771 18244 979 1 3 . 1 1 15 15 GLN CA C 172 58.600 58.600 57.661 0.939 18244 980 1 3 . 1 1 15 15 GLN CB C 172 28.800 28.800 29.148 -0.348 18244 981 1 3 . 1 1 15 15 GLN H H 172 8.112 8.112 7.432 0.680 18244 982 1 3 . 1 1 16 16 MET N N 173 118.323 118.323 116.384 1.939 18244 983 1 3 . 1 1 16 16 MET HA H 173 4.266 4.266 4.522 -0.256 18244 984 1 3 . 1 1 16 16 MET C C 173 180.300 180.300 176.636 3.664 18244 985 1 3 . 1 1 16 16 MET CA C 173 57.300 57.300 56.118 1.182 18244 986 1 3 . 1 1 16 16 MET CB C 173 31.400 31.400 32.369 -0.969 18244 987 1 3 . 1 1 16 16 MET H H 173 8.371 8.371 7.374 0.997 18244 988 1 3 . 1 1 17 17 LYS N N 174 117.179 117.179 119.340 -2.161 18244 989 1 3 . 1 1 17 17 LYS HA H 174 4.450 4.450 4.506 -0.056 18244 990 1 3 . 1 1 17 17 LYS C C 174 178.400 178.400 177.466 0.934 18244 991 1 3 . 1 1 17 17 LYS CA C 174 55.800 55.800 56.077 -0.277 18244 992 1 3 . 1 1 17 17 LYS CB C 174 33.600 33.600 33.974 -0.374 18244 993 1 3 . 1 1 17 17 LYS H H 174 7.798 7.798 7.589 0.209 18244 994 1 3 . 1 1 18 18 VAL N N 175 135.773 135.773 120.524 15.249 18244 995 1 3 . 1 1 18 18 VAL HA H 175 4.674 4.674 4.239 0.435 18244 996 1 3 . 1 1 18 18 VAL C C 175 177.700 177.700 174.771 2.929 18244 997 1 3 . 1 1 18 18 VAL CA C 175 60.100 60.100 61.414 -1.314 18244 998 1 3 . 1 1 18 18 VAL CB C 175 33.200 33.200 29.637 3.563 18244 999 1 3 . 1 1 18 18 VAL H H 175 6.894 6.894 8.116 -1.222 18244 1000 1 3 . 1 1 19 19 ALA N N 176 127.267 127.267 131.326 -4.059 18244 1001 1 3 . 1 1 19 19 ALA HA H 176 4.653 4.653 4.901 -0.248 18244 1002 1 3 . 1 1 19 19 ALA CA C 176 50.200 50.200 49.752 0.448 18244 1003 1 3 . 1 1 19 19 ALA CB C 176 18.800 18.800 21.328 -2.528 18244 1004 1 3 . 1 1 19 19 ALA H H 176 7.508 7.508 7.925 -0.417 18244 1005 1 3 . 1 1 20 20 PRO HA H 177 4.439 4.439 5.019 -0.580 18244 1006 1 3 . 1 1 20 20 PRO C C 177 179.700 179.700 175.840 3.860 18244 1007 1 3 . 1 1 20 20 PRO CA C 177 62.900 62.900 61.727 1.173 18244 1008 1 3 . 1 1 20 20 PRO CB C 177 31.400 31.400 32.770 -1.371 18244 1009 1 3 . 1 1 21 21 ILE N N 178 128.957 128.957 121.154 7.803 18244 1010 1 3 . 1 1 21 21 ILE HA H 178 3.571 3.571 3.809 -0.238 18244 1011 1 3 . 1 1 21 21 ILE CA C 178 59.700 59.700 59.263 0.437 18244 1012 1 3 . 1 1 21 21 ILE CB C 178 39.300 39.300 36.799 2.501 18244 1013 1 3 . 1 1 21 21 ILE H H 178 8.659 8.659 7.950 0.709 18244 1014 1 3 . 1 1 22 22 PRO HA H 179 4.298 4.298 4.429 -0.131 18244 1015 1 3 . 1 1 22 22 PRO C C 179 180.600 180.600 177.262 3.338 18244 1016 1 3 . 1 1 22 22 PRO CA C 179 62.900 62.900 61.935 0.965 18244 1017 1 3 . 1 1 22 22 PRO CB C 179 32.600 32.600 32.518 0.082 18244 1018 1 3 . 1 1 23 23 LYS N N 180 126.052 126.052 122.021 4.031 18244 1019 1 3 . 1 1 23 23 LYS HA H 180 3.848 3.848 3.940 -0.092 18244 1020 1 3 . 1 1 23 23 LYS C C 180 180.300 180.300 178.928 1.372 18244 1021 1 3 . 1 1 23 23 LYS CA C 180 60.200 60.200 59.911 0.289 18244 1022 1 3 . 1 1 23 23 LYS CB C 180 32.400 32.400 31.746 0.654 18244 1023 1 3 . 1 1 23 23 LYS H H 180 8.871 8.871 8.610 0.261 18244 1024 1 3 . 1 1 24 24 GLN N N 181 115.658 115.658 117.606 -1.948 18244 1025 1 3 . 1 1 24 24 GLN HA H 181 4.102 4.102 4.093 0.009 18244 1026 1 3 . 1 1 24 24 GLN C C 181 179.000 179.000 178.396 0.604 18244 1027 1 3 . 1 1 24 24 GLN CA C 181 58.600 58.600 58.684 -0.084 18244 1028 1 3 . 1 1 24 24 GLN CB C 181 27.400 27.400 28.293 -0.893 18244 1029 1 3 . 1 1 24 24 GLN H H 181 9.038 9.038 8.693 0.345 18244 1030 1 3 . 1 1 25 25 LEU N N 182 117.088 117.088 119.272 -2.184 18244 1031 1 3 . 1 1 25 25 LEU HA H 182 4.231 4.231 4.207 0.024 18244 1032 1 3 . 1 1 25 25 LEU C C 182 180.300 180.300 179.188 1.112 18244 1033 1 3 . 1 1 25 25 LEU CA C 182 56.600 56.600 56.400 0.200 18244 1034 1 3 . 1 1 25 25 LEU CB C 182 40.900 40.900 42.150 -1.250 18244 1035 1 3 . 1 1 25 25 LEU H H 182 7.309 7.309 7.605 -0.296 18244 1036 1 3 . 1 1 26 26 LEU N N 183 120.917 120.917 121.459 -0.542 18244 1037 1 3 . 1 1 26 26 LEU HA H 183 3.699 3.699 3.929 -0.230 18244 1038 1 3 . 1 1 26 26 LEU C C 183 181.300 181.300 179.153 2.147 18244 1039 1 3 . 1 1 26 26 LEU CA C 183 57.900 57.900 57.898 0.002 18244 1040 1 3 . 1 1 26 26 LEU CB C 183 42.400 42.400 41.691 0.709 18244 1041 1 3 . 1 1 26 26 LEU H H 183 7.842 7.842 8.276 -0.434 18244 1042 1 3 . 1 1 27 27 GLN N N 184 112.112 112.112 116.770 -4.658 18244 1043 1 3 . 1 1 27 27 GLN HA H 184 4.082 4.082 4.176 -0.094 18244 1044 1 3 . 1 1 27 27 GLN C C 184 178.800 178.800 177.321 1.479 18244 1045 1 3 . 1 1 27 27 GLN CA C 184 57.300 57.300 57.388 -0.088 18244 1046 1 3 . 1 1 27 27 GLN CB C 184 28.500 28.500 27.796 0.704 18244 1047 1 3 . 1 1 27 27 GLN H H 184 7.505 7.505 7.987 -0.482 18244 1048 1 3 . 1 1 28 28 ARG N N 185 116.659 116.659 117.865 -1.206 18244 1049 1 3 . 1 1 28 28 ARG HA H 185 4.187 4.187 4.381 -0.194 18244 1050 1 3 . 1 1 28 28 ARG C C 185 177.900 177.900 176.162 1.738 18244 1051 1 3 . 1 1 28 28 ARG CA C 185 56.600 56.600 56.813 -0.213 18244 1052 1 3 . 1 1 28 28 ARG CB C 185 30.700 30.700 31.433 -0.733 18244 1053 1 3 . 1 1 28 28 ARG H H 185 7.488 7.488 7.537 -0.049 18244 1054 1 3 . 1 1 29 29 ILE N N 186 121.078 121.078 122.180 -1.102 18244 1055 1 3 . 1 1 29 29 ILE HA H 186 4.352 4.352 4.456 -0.104 18244 1056 1 3 . 1 1 29 29 ILE CA C 186 59.300 59.300 58.897 0.403 18244 1057 1 3 . 1 1 29 29 ILE CB C 186 37.800 37.800 38.112 -0.312 18244 1058 1 3 . 1 1 29 29 ILE H H 186 7.630 7.630 7.469 0.161 18244 1059 1 3 . 1 1 30 30 PRO HA H 187 4.256 4.256 4.701 -0.445 18244 1060 1 3 . 1 1 30 30 PRO C C 187 178.500 178.500 176.234 2.266 18244 1061 1 3 . 1 1 30 30 PRO CA C 187 64.100 64.100 61.872 2.228 18244 1062 1 3 . 1 1 30 30 PRO CB C 187 32.400 32.400 32.732 -0.332 18244 1063 1 3 . 1 1 31 31 ASN N N 188 110.335 110.335 115.387 -5.052 18244 1064 1 3 . 1 1 31 31 ASN HA H 188 4.398 4.398 4.566 -0.168 18244 1065 1 3 . 1 1 31 31 ASN C C 188 177.500 177.500 174.077 3.423 18244 1066 1 3 . 1 1 31 31 ASN CA C 188 54.400 54.400 54.551 -0.151 18244 1067 1 3 . 1 1 31 31 ASN CB C 188 37.700 37.700 38.553 -0.854 18244 1068 1 3 . 1 1 31 31 ASN H H 188 8.464 8.464 8.541 -0.077 18244 1069 1 3 . 1 1 32 32 ILE N N 189 117.608 117.608 115.483 2.125 18244 1070 1 3 . 1 1 32 32 ILE HA H 189 4.416 4.416 4.667 -0.251 18244 1071 1 3 . 1 1 32 32 ILE CA C 189 58.100 58.100 58.116 -0.016 18244 1072 1 3 . 1 1 32 32 ILE CB C 189 38.600 38.600 40.528 -1.928 18244 1073 1 3 . 1 1 32 32 ILE H H 189 7.325 7.325 7.150 0.175 18244 1074 1 3 . 1 1 33 33 PRO HA H 190 4.749 4.749 4.998 -0.249 18244 1075 1 3 . 1 1 33 33 PRO CA C 190 61.700 61.700 61.385 0.315 18244 1076 1 3 . 1 1 33 33 PRO CB C 190 31.000 31.000 31.197 -0.197 18244 1077 1 3 . 1 1 34 34 PRO HA H 191 4.391 4.391 4.388 0.003 18244 1078 1 3 . 1 1 34 34 PRO C C 191 178.600 178.600 177.211 1.389 18244 1079 1 3 . 1 1 34 34 PRO CA C 191 63.700 63.700 63.944 -0.244 18244 1080 1 3 . 1 1 34 34 PRO CB C 191 32.000 32.000 32.221 -0.221 18244 1081 1 3 . 1 1 35 35 ASN N N 192 112.827 112.827 112.505 0.322 18244 1082 1 3 . 1 1 35 35 ASN HA H 192 4.456 4.456 4.457 -0.001 18244 1083 1 3 . 1 1 35 35 ASN C C 192 176.500 176.500 174.231 2.269 18244 1084 1 3 . 1 1 35 35 ASN CA C 192 53.700 53.700 54.067 -0.367 18244 1085 1 3 . 1 1 35 35 ASN CB C 192 37.300 37.300 38.316 -1.016 18244 1086 1 3 . 1 1 35 35 ASN H H 192 8.256 8.256 8.767 -0.511 18244 1087 1 3 . 1 1 36 36 ILE N N 193 119.133 119.133 112.643 6.490 18244 1088 1 3 . 1 1 36 36 ILE HA H 193 4.144 4.144 4.374 -0.230 18244 1089 1 3 . 1 1 36 36 ILE C C 193 177.200 177.200 173.616 3.584 18244 1090 1 3 . 1 1 36 36 ILE CA C 193 59.100 59.100 59.020 0.080 18244 1091 1 3 . 1 1 36 36 ILE CB C 193 37.000 37.000 39.956 -2.956 18244 1092 1 3 . 1 1 36 36 ILE H H 193 7.166 7.166 7.377 -0.211 18244 1093 1 3 . 1 1 37 37 ASN N N 194 121.068 121.068 116.124 4.944 18244 1094 1 3 . 1 1 37 37 ASN HA H 194 4.667 4.667 4.691 -0.024 18244 1095 1 3 . 1 1 37 37 ASN C C 194 175.600 175.600 174.617 0.983 18244 1096 1 3 . 1 1 37 37 ASN CA C 194 53.400 53.400 53.267 0.133 18244 1097 1 3 . 1 1 37 37 ASN CB C 194 40.400 40.400 40.799 -0.399 18244 1098 1 3 . 1 1 37 37 ASN H H 194 8.764 8.764 8.392 0.372 18244 1099 1 3 . 1 1 38 38 THR N N 195 106.795 106.795 117.059 -10.264 18244 1100 1 3 . 1 1 38 38 THR HA H 195 4.924 4.924 4.284 0.640 18244 1101 1 3 . 1 1 38 38 THR C C 195 178.000 178.000 175.475 2.525 18244 1102 1 3 . 1 1 38 38 THR CA C 195 58.800 58.800 63.939 -5.139 18244 1103 1 3 . 1 1 38 38 THR CB C 195 73.500 73.500 69.009 4.491 18244 1104 1 3 . 1 1 38 38 THR H H 195 7.527 7.527 7.900 -0.373 18244 1105 1 3 . 1 1 39 39 TRP N N 196 123.744 123.744 127.741 -3.997 18244 1106 1 3 . 1 1 39 39 TRP HA H 196 4.533 4.533 4.231 0.302 18244 1107 1 3 . 1 1 39 39 TRP C C 196 182.300 182.300 178.665 3.635 18244 1108 1 3 . 1 1 39 39 TRP CA C 196 60.100 60.100 61.456 -1.357 18244 1109 1 3 . 1 1 39 39 TRP CB C 196 29.400 29.400 29.276 0.124 18244 1110 1 3 . 1 1 39 39 TRP H H 196 10.363 10.363 8.992 1.371 18244 1111 1 3 . 1 1 40 40 GLN N N 197 120.207 120.207 116.348 3.859 18244 1112 1 3 . 1 1 40 40 GLN HA H 197 4.268 4.268 4.037 0.231 18244 1113 1 3 . 1 1 40 40 GLN C C 197 180.900 180.900 178.886 2.014 18244 1114 1 3 . 1 1 40 40 GLN CA C 197 59.500 59.500 59.083 0.417 18244 1115 1 3 . 1 1 40 40 GLN CB C 197 28.500 28.500 27.374 1.126 18244 1116 1 3 . 1 1 40 40 GLN H H 197 8.550 8.550 8.701 -0.151 18244 1117 1 3 . 1 1 41 41 GLN N N 198 118.163 118.163 118.154 0.009 18244 1118 1 3 . 1 1 41 41 GLN HA H 198 4.191 4.191 4.154 0.037 18244 1119 1 3 . 1 1 41 41 GLN C C 198 181.500 181.500 178.413 3.087 18244 1120 1 3 . 1 1 41 41 GLN CA C 198 58.500 58.500 58.121 0.379 18244 1121 1 3 . 1 1 41 41 GLN CB C 198 30.400 30.400 28.523 1.877 18244 1122 1 3 . 1 1 41 41 GLN H H 198 7.594 7.594 7.793 -0.199 18244 1123 1 3 . 1 1 42 42 VAL N N 199 121.112 121.112 120.122 0.990 18244 1124 1 3 . 1 1 42 42 VAL HA H 199 3.479 3.479 3.815 -0.336 18244 1125 1 3 . 1 1 42 42 VAL C C 199 180.000 180.000 178.389 1.611 18244 1126 1 3 . 1 1 42 42 VAL CA C 199 67.500 67.500 66.353 1.147 18244 1127 1 3 . 1 1 42 42 VAL CB C 199 32.000 32.000 31.400 0.600 18244 1128 1 3 . 1 1 42 42 VAL H H 199 8.116 8.116 8.337 -0.221 18244 1129 1 3 . 1 1 43 43 THR N N 200 113.870 113.870 116.079 -2.209 18244 1130 1 3 . 1 1 43 43 THR HA H 200 3.904 3.904 4.131 -0.227 18244 1131 1 3 . 1 1 43 43 THR C C 200 178.900 178.900 176.040 2.860 18244 1132 1 3 . 1 1 43 43 THR CA C 200 67.000 67.000 66.147 0.853 18244 1133 1 3 . 1 1 43 43 THR CB C 200 68.500 68.500 68.498 0.002 18244 1134 1 3 . 1 1 43 43 THR H H 200 8.726 8.726 8.310 0.416 18244 1135 1 3 . 1 1 44 44 ALA N N 201 124.369 124.369 124.405 -0.036 18244 1136 1 3 . 1 1 44 44 ALA HA H 201 4.280 4.280 4.466 -0.186 18244 1137 1 3 . 1 1 44 44 ALA C C 201 182.700 182.700 179.544 3.156 18244 1138 1 3 . 1 1 44 44 ALA CA C 201 55.500 55.500 54.874 0.626 18244 1139 1 3 . 1 1 44 44 ALA CB C 201 17.900 17.900 18.383 -0.483 18244 1140 1 3 . 1 1 44 44 ALA H H 201 7.539 7.539 7.587 -0.048 18244 1141 1 3 . 1 1 45 45 LEU N N 202 117.896 117.896 115.462 2.434 18244 1142 1 3 . 1 1 45 45 LEU HA H 202 4.068 4.068 4.405 -0.337 18244 1143 1 3 . 1 1 45 45 LEU C C 202 182.200 182.200 178.692 3.508 18244 1144 1 3 . 1 1 45 45 LEU CA C 202 58.100 58.100 57.586 0.514 18244 1145 1 3 . 1 1 45 45 LEU CB C 202 41.800 41.800 40.959 0.841 18244 1146 1 3 . 1 1 45 45 LEU H H 202 7.716 7.716 7.447 0.269 18244 1147 1 3 . 1 1 46 46 ALA N N 203 121.746 121.746 121.010 0.736 18244 1148 1 3 . 1 1 46 46 ALA HA H 203 4.184 4.184 4.085 0.099 18244 1149 1 3 . 1 1 46 46 ALA C C 203 184.300 184.300 180.209 4.091 18244 1150 1 3 . 1 1 46 46 ALA CA C 203 55.400 55.400 54.837 0.563 18244 1151 1 3 . 1 1 46 46 ALA CB C 203 18.100 18.100 18.152 -0.052 18244 1152 1 3 . 1 1 46 46 ALA H H 203 8.117 8.117 7.367 0.750 18244 1153 1 3 . 1 1 47 47 GLN N N 204 120.247 120.247 118.341 1.906 18244 1154 1 3 . 1 1 47 47 GLN HA H 204 4.088 4.088 4.086 0.002 18244 1155 1 3 . 1 1 47 47 GLN C C 204 180.100 180.100 177.551 2.549 18244 1156 1 3 . 1 1 47 47 GLN CA C 204 58.900 58.900 57.995 0.905 18244 1157 1 3 . 1 1 47 47 GLN CB C 204 28.500 28.500 28.602 -0.102 18244 1158 1 3 . 1 1 47 47 GLN H H 204 8.515 8.515 7.883 0.632 18244 1159 1 3 . 1 1 48 48 GLN N N 205 116.167 116.167 117.643 -1.476 18244 1160 1 3 . 1 1 48 48 GLN HA H 205 4.290 4.290 4.256 0.034 18244 1161 1 3 . 1 1 48 48 GLN C C 205 176.700 176.700 175.154 1.546 18244 1162 1 3 . 1 1 48 48 GLN CA C 205 55.900 55.900 55.785 0.115 18244 1163 1 3 . 1 1 48 48 GLN CB C 205 30.000 30.000 28.769 1.231 18244 1164 1 3 . 1 1 48 48 GLN H H 205 7.534 7.534 7.373 0.161 18244 1165 1 3 . 1 1 49 49 LYS N N 206 113.354 113.354 115.012 -1.658 18244 1166 1 3 . 1 1 49 49 LYS HA H 206 4.118 4.118 4.008 0.110 18244 1167 1 3 . 1 1 49 49 LYS C C 206 178.700 178.700 176.186 2.514 18244 1168 1 3 . 1 1 49 49 LYS CA C 206 57.500 57.500 57.328 0.172 18244 1169 1 3 . 1 1 49 49 LYS CB C 206 28.300 28.300 29.309 -1.009 18244 1170 1 3 . 1 1 49 49 LYS H H 206 7.957 7.957 7.934 0.023 18244 1171 1 3 . 1 1 50 50 LEU N N 207 116.944 116.944 117.560 -0.616 18244 1172 1 3 . 1 1 50 50 LEU HA H 207 4.423 4.423 4.364 0.059 18244 1173 1 3 . 1 1 50 50 LEU C C 207 180.000 180.000 176.674 3.326 18244 1174 1 3 . 1 1 50 50 LEU CA C 207 55.300 55.300 54.187 1.113 18244 1175 1 3 . 1 1 50 50 LEU CB C 207 42.500 42.500 42.623 -0.123 18244 1176 1 3 . 1 1 50 50 LEU H H 207 8.016 8.016 7.531 0.485 18244 1177 1 3 . 1 1 51 51 LEU N N 208 117.793 117.793 121.736 -3.943 18244 1178 1 3 . 1 1 51 51 LEU HA H 208 4.922 4.922 4.625 0.297 18244 1179 1 3 . 1 1 51 51 LEU C C 208 179.000 179.000 176.589 2.411 18244 1180 1 3 . 1 1 51 51 LEU CA C 208 53.400 53.400 53.719 -0.319 18244 1181 1 3 . 1 1 51 51 LEU CB C 208 44.500 44.500 43.758 0.742 18244 1182 1 3 . 1 1 51 51 LEU H H 208 7.109 7.109 7.735 -0.626 18244 1183 1 3 . 1 1 52 52 THR N N 209 115.695 115.695 118.527 -2.832 18244 1184 1 3 . 1 1 52 52 THR HA H 209 4.623 4.623 4.813 -0.190 18244 1185 1 3 . 1 1 52 52 THR CA C 209 60.700 60.700 59.084 1.616 18244 1186 1 3 . 1 1 52 52 THR CB C 209 69.000 69.000 69.366 -0.366 18244 1187 1 3 . 1 1 52 52 THR H H 209 9.460 9.460 9.579 -0.119 18244 1188 1 3 . 1 1 53 53 PRO HA H 210 4.275 4.275 4.231 0.044 18244 1189 1 3 . 1 1 53 53 PRO C C 210 181.700 181.700 178.420 3.280 18244 1190 1 3 . 1 1 53 53 PRO CA C 210 66.000 66.000 65.423 0.577 18244 1191 1 3 . 1 1 53 53 PRO CB C 210 31.600 31.600 31.721 -0.121 18244 1192 1 3 . 1 1 54 54 GLN N N 211 116.837 116.837 117.699 -0.862 18244 1193 1 3 . 1 1 54 54 GLN HA H 211 4.119 4.119 4.129 -0.010 18244 1194 1 3 . 1 1 54 54 GLN C C 211 181.500 181.500 178.172 3.328 18244 1195 1 3 . 1 1 54 54 GLN CA C 211 59.800 59.800 58.883 0.917 18244 1196 1 3 . 1 1 54 54 GLN CB C 211 28.100 28.100 28.415 -0.315 18244 1197 1 3 . 1 1 54 54 GLN H H 211 8.229 8.229 7.736 0.493 18244 1198 1 3 . 1 1 55 55 ASP N N 212 123.621 123.621 120.657 2.964 18244 1199 1 3 . 1 1 55 55 ASP HA H 212 4.353 4.353 4.409 -0.056 18244 1200 1 3 . 1 1 55 55 ASP C C 212 181.100 181.100 178.260 2.840 18244 1201 1 3 . 1 1 55 55 ASP CA C 212 57.900 57.900 57.144 0.756 18244 1202 1 3 . 1 1 55 55 ASP CB C 212 41.700 41.700 40.609 1.091 18244 1203 1 3 . 1 1 55 55 ASP H H 212 7.957 7.957 7.532 0.425 18244 1204 1 3 . 1 1 56 56 MET N N 213 117.263 117.263 118.051 -0.788 18244 1205 1 3 . 1 1 56 56 MET HA H 213 4.380 4.380 4.135 0.245 18244 1206 1 3 . 1 1 56 56 MET C C 213 181.000 181.000 178.230 2.770 18244 1207 1 3 . 1 1 56 56 MET CA C 213 57.100 57.100 59.813 -2.713 18244 1208 1 3 . 1 1 56 56 MET CB C 213 31.200 31.200 32.337 -1.137 18244 1209 1 3 . 1 1 56 56 MET H H 213 8.314 8.314 7.688 0.626 18244 1210 1 3 . 1 1 57 57 GLU N N 214 120.570 120.570 118.547 2.023 18244 1211 1 3 . 1 1 57 57 GLU HA H 214 4.085 4.085 4.124 -0.039 18244 1212 1 3 . 1 1 57 57 GLU C C 214 181.700 181.700 178.269 3.431 18244 1213 1 3 . 1 1 57 57 GLU CA C 214 59.500 59.500 59.559 -0.060 18244 1214 1 3 . 1 1 57 57 GLU CB C 214 29.300 29.300 29.203 0.097 18244 1215 1 3 . 1 1 57 57 GLU H H 214 8.039 8.039 7.882 0.157 18244 1216 1 3 . 1 1 58 58 ALA N N 215 121.915 121.915 121.355 0.560 18244 1217 1 3 . 1 1 58 58 ALA HA H 215 4.361 4.361 4.352 0.009 18244 1218 1 3 . 1 1 58 58 ALA C C 215 182.800 182.800 179.312 3.488 18244 1219 1 3 . 1 1 58 58 ALA CA C 215 55.100 55.100 54.324 0.776 18244 1220 1 3 . 1 1 58 58 ALA CB C 215 18.500 18.500 18.387 0.113 18244 1221 1 3 . 1 1 58 58 ALA H H 215 7.571 7.571 7.211 0.360 18244 1222 1 3 . 1 1 59 59 ALA N N 216 120.749 120.749 121.646 -0.897 18244 1223 1 3 . 1 1 59 59 ALA HA H 216 4.137 4.137 4.186 -0.049 18244 1224 1 3 . 1 1 59 59 ALA C C 216 180.800 180.800 179.301 1.499 18244 1225 1 3 . 1 1 59 59 ALA CA C 216 55.700 55.700 55.332 0.368 18244 1226 1 3 . 1 1 59 59 ALA CB C 216 18.100 18.100 18.493 -0.393 18244 1227 1 3 . 1 1 59 59 ALA H H 216 8.728 8.728 8.369 0.359 18244 1228 1 3 . 1 1 60 60 LYS N N 217 117.415 117.415 117.683 -0.268 18244 1229 1 3 . 1 1 60 60 LYS HA H 217 3.700 3.700 3.957 -0.257 18244 1230 1 3 . 1 1 60 60 LYS C C 217 181.300 181.300 178.900 2.400 18244 1231 1 3 . 1 1 60 60 LYS CA C 217 60.200 60.200 59.268 0.932 18244 1232 1 3 . 1 1 60 60 LYS CB C 217 32.600 32.600 31.882 0.718 18244 1233 1 3 . 1 1 60 60 LYS H H 217 8.292 8.292 7.975 0.317 18244 1234 1 3 . 1 1 61 61 GLN N N 218 118.499 118.499 119.545 -1.046 18244 1235 1 3 . 1 1 61 61 GLN HA H 218 4.171 4.171 4.162 0.009 18244 1236 1 3 . 1 1 61 61 GLN C C 218 181.500 181.500 178.441 3.059 18244 1237 1 3 . 1 1 61 61 GLN CA C 218 59.200 59.200 58.643 0.557 18244 1238 1 3 . 1 1 61 61 GLN CB C 218 29.400 29.400 28.951 0.449 18244 1239 1 3 . 1 1 61 61 GLN H H 218 7.401 7.401 7.606 -0.205 18244 1240 1 3 . 1 1 62 62 VAL N N 219 119.685 119.685 120.537 -0.852 18244 1241 1 3 . 1 1 62 62 VAL HA H 219 3.746 3.746 3.749 -0.003 18244 1242 1 3 . 1 1 62 62 VAL C C 219 179.400 179.400 178.038 1.362 18244 1243 1 3 . 1 1 62 62 VAL CA C 219 66.800 66.800 66.740 0.060 18244 1244 1 3 . 1 1 62 62 VAL CB C 219 31.900 31.900 31.441 0.459 18244 1245 1 3 . 1 1 62 62 VAL H H 219 8.036 8.036 7.886 0.150 18244 1246 1 3 . 1 1 63 63 TYR N N 220 123.794 123.794 120.580 3.214 18244 1247 1 3 . 1 1 63 63 TYR HA H 220 3.725 3.725 4.229 -0.504 18244 1248 1 3 . 1 1 63 63 TYR C C 220 179.300 179.300 177.923 1.377 18244 1249 1 3 . 1 1 63 63 TYR CA C 220 62.200 62.200 62.150 0.050 18244 1250 1 3 . 1 1 63 63 TYR CB C 220 38.000 38.000 38.235 -0.235 18244 1251 1 3 . 1 1 63 63 TYR H H 220 8.802 8.802 8.467 0.335 18244 1252 1 3 . 1 1 64 64 LYS N N 221 117.772 117.772 118.338 -0.566 18244 1253 1 3 . 1 1 64 64 LYS HA H 221 3.864 3.864 3.951 -0.087 18244 1254 1 3 . 1 1 64 64 LYS C C 221 181.700 181.700 178.776 2.924 18244 1255 1 3 . 1 1 64 64 LYS CA C 221 59.800 59.800 59.741 0.059 18244 1256 1 3 . 1 1 64 64 LYS CB C 221 32.200 32.200 32.414 -0.214 18244 1257 1 3 . 1 1 64 64 LYS H H 221 7.452 7.452 7.538 -0.086 18244 1258 1 3 . 1 1 65 65 ILE N N 222 119.985 119.985 120.000 -0.015 18244 1259 1 3 . 1 1 65 65 ILE HA H 222 3.757 3.757 3.985 -0.228 18244 1260 1 3 . 1 1 65 65 ILE C C 222 180.700 180.700 178.008 2.692 18244 1261 1 3 . 1 1 65 65 ILE CA C 222 65.000 65.000 64.937 0.063 18244 1262 1 3 . 1 1 65 65 ILE CB C 222 38.200 38.200 37.989 0.211 18244 1263 1 3 . 1 1 65 65 ILE H H 222 7.673 7.673 7.834 -0.161 18244 1264 1 3 . 1 1 66 66 HIS N N 223 121.506 121.506 119.144 2.362 18244 1265 1 3 . 1 1 66 66 HIS HA H 223 4.343 4.343 4.145 0.198 18244 1266 1 3 . 1 1 66 66 HIS C C 223 179.400 179.400 177.497 1.903 18244 1267 1 3 . 1 1 66 66 HIS CA C 223 57.500 57.500 59.073 -1.573 18244 1268 1 3 . 1 1 66 66 HIS CB C 223 32.800 32.800 30.210 2.590 18244 1269 1 3 . 1 1 66 66 HIS H H 223 8.943 8.943 8.515 0.428 18244 1270 1 3 . 1 1 67 67 GLN N N 224 117.421 117.421 117.959 -0.538 18244 1271 1 3 . 1 1 67 67 GLN HA H 224 3.720 3.720 3.858 -0.138 18244 1272 1 3 . 1 1 67 67 GLN C C 224 180.200 180.200 178.112 2.088 18244 1273 1 3 . 1 1 67 67 GLN CA C 224 59.800 59.800 58.958 0.842 18244 1274 1 3 . 1 1 67 67 GLN CB C 224 29.500 29.500 28.509 0.991 18244 1275 1 3 . 1 1 67 67 GLN H H 224 8.526 8.526 7.738 0.788 18244 1276 1 3 . 1 1 68 68 GLN N N 225 117.385 117.385 118.460 -1.075 18244 1277 1 3 . 1 1 68 68 GLN HA H 225 4.017 4.017 4.126 -0.109 18244 1278 1 3 . 1 1 68 68 GLN C C 225 181.100 181.100 178.528 2.572 18244 1279 1 3 . 1 1 68 68 GLN CA C 225 59.200 59.200 58.871 0.329 18244 1280 1 3 . 1 1 68 68 GLN CB C 225 28.400 28.400 28.301 0.099 18244 1281 1 3 . 1 1 68 68 GLN H H 225 7.673 7.673 7.559 0.114 18244 1282 1 3 . 1 1 69 69 LEU N N 226 120.608 120.608 119.858 0.750 18244 1283 1 3 . 1 1 69 69 LEU HA H 226 4.126 4.126 4.107 0.019 18244 1284 1 3 . 1 1 69 69 LEU C C 226 182.700 182.700 178.892 3.808 18244 1285 1 3 . 1 1 69 69 LEU CA C 226 58.200 58.200 57.607 0.593 18244 1286 1 3 . 1 1 69 69 LEU CB C 226 42.000 42.000 41.797 0.202 18244 1287 1 3 . 1 1 69 69 LEU H H 226 8.227 8.227 7.435 0.792 18244 1288 1 3 . 1 1 70 70 LEU N N 227 120.607 120.607 119.273 1.334 18244 1289 1 3 . 1 1 70 70 LEU HA H 227 4.108 4.108 3.910 0.198 18244 1290 1 3 . 1 1 70 70 LEU C C 227 181.900 181.900 179.208 2.692 18244 1291 1 3 . 1 1 70 70 LEU CA C 227 57.700 57.700 57.726 -0.026 18244 1292 1 3 . 1 1 70 70 LEU CB C 227 41.900 41.900 41.479 0.421 18244 1293 1 3 . 1 1 70 70 LEU H H 227 8.273 8.273 7.412 0.861 18244 1294 1 3 . 1 1 71 71 PHE N N 228 119.975 119.975 119.825 0.150 18244 1295 1 3 . 1 1 71 71 PHE HA H 228 4.315 4.315 4.052 0.263 18244 1296 1 3 . 1 1 71 71 PHE C C 228 180.100 180.100 177.052 3.048 18244 1297 1 3 . 1 1 71 71 PHE CA C 228 60.200 60.200 61.447 -1.247 18244 1298 1 3 . 1 1 71 71 PHE CB C 228 39.000 39.000 39.137 -0.137 18244 1299 1 3 . 1 1 71 71 PHE H H 228 8.469 8.469 7.875 0.594 18244 1300 1 3 . 1 1 72 72 LYS N N 229 119.148 119.148 118.684 0.464 18244 1301 1 3 . 1 1 72 72 LYS HA H 229 4.012 4.012 3.711 0.301 18244 1302 1 3 . 1 1 72 72 LYS C C 229 180.400 180.400 178.646 1.754 18244 1303 1 3 . 1 1 72 72 LYS CA C 229 58.800 58.800 59.677 -0.877 18244 1304 1 3 . 1 1 72 72 LYS CB C 229 32.300 32.300 32.121 0.179 18244 1305 1 3 . 1 1 72 72 LYS H H 229 8.143 8.143 7.935 0.208 18244 1306 1 3 . 1 1 73 73 ALA N N 230 121.483 121.483 120.364 1.119 18244 1307 1 3 . 1 1 73 73 ALA HA H 230 4.224 4.224 4.116 0.108 18244 1308 1 3 . 1 1 73 73 ALA C C 230 181.600 181.600 179.007 2.593 18244 1309 1 3 . 1 1 73 73 ALA CA C 230 54.200 54.200 54.728 -0.528 18244 1310 1 3 . 1 1 73 73 ALA CB C 230 18.500 18.500 18.523 -0.023 18244 1311 1 3 . 1 1 73 73 ALA H H 230 7.886 7.886 7.679 0.207 18244 1312 1 3 . 1 1 74 74 ARG N N 231 118.073 118.073 116.478 1.595 18244 1313 1 3 . 1 1 74 74 ARG HA H 231 4.189 4.189 4.186 0.003 18244 1314 1 3 . 1 1 74 74 ARG C C 231 179.900 179.900 177.266 2.634 18244 1315 1 3 . 1 1 74 74 ARG CA C 231 57.600 57.600 56.730 0.870 18244 1316 1 3 . 1 1 74 74 ARG CB C 231 30.100 30.100 30.138 -0.038 18244 1317 1 3 . 1 1 74 74 ARG H H 231 7.849 7.849 7.490 0.359 18244 1318 1 3 . 1 1 75 75 LEU N N 232 120.575 120.575 121.503 -0.928 18244 1319 1 3 . 1 1 75 75 LEU HA H 232 4.181 4.181 4.130 0.051 18244 1320 1 3 . 1 1 75 75 LEU C C 232 180.600 180.600 177.174 3.426 18244 1321 1 3 . 1 1 75 75 LEU CA C 232 56.400 56.400 56.242 0.158 18244 1322 1 3 . 1 1 75 75 LEU CB C 232 42.000 42.000 42.619 -0.619 18244 1323 1 3 . 1 1 75 75 LEU H H 232 7.847 7.847 7.433 0.414 18244 1324 1 3 . 1 1 76 76 GLN N N 233 118.890 118.890 118.478 0.412 18244 1325 1 3 . 1 1 76 76 GLN HA H 233 4.220 4.220 4.208 0.012 18244 1326 1 3 . 1 1 76 76 GLN C C 233 179.100 179.100 176.494 2.606 18244 1327 1 3 . 1 1 76 76 GLN CA C 233 56.900 56.900 55.522 1.378 18244 1328 1 3 . 1 1 76 76 GLN CB C 233 29.000 29.000 27.975 1.025 18244 1329 1 3 . 1 1 76 76 GLN H H 233 8.008 8.008 8.075 -0.067 18244 1330 1 3 . 1 1 77 77 GLN N N 234 119.836 119.836 122.545 -2.709 18244 1331 1 3 . 1 1 77 77 GLN HA H 234 4.263 4.263 4.263 0.000 18244 1332 1 3 . 1 1 77 77 GLN C C 234 178.700 178.700 177.257 1.443 18244 1333 1 3 . 1 1 77 77 GLN CA C 234 56.700 56.700 56.766 -0.066 18244 1334 1 3 . 1 1 77 77 GLN CB C 234 29.100 29.100 28.927 0.173 18244 1335 1 3 . 1 1 77 77 GLN H H 234 8.078 8.078 8.426 -0.348 18244 1336 1 3 . 1 1 78 78 GLN N N 235 120.341 120.341 116.740 3.601 18244 1337 1 3 . 1 1 78 78 GLN HA H 235 4.288 4.288 4.401 -0.113 18244 1338 1 3 . 1 1 78 78 GLN C C 235 178.400 178.400 176.479 1.921 18244 1339 1 3 . 1 1 78 78 GLN CA C 235 56.400 56.400 55.791 0.609 18244 1340 1 3 . 1 1 78 78 GLN CB C 235 29.300 29.300 29.744 -0.444 18244 1341 1 3 . 1 1 78 78 GLN H H 235 8.226 8.226 7.774 0.452 18244 1342 1 3 . 1 1 79 79 GLN N N 236 120.708 120.708 118.678 2.030 18244 1343 1 3 . 1 1 79 79 GLN HA H 236 4.316 4.316 4.486 -0.170 18244 1344 1 3 . 1 1 79 79 GLN C C 236 177.800 177.800 174.150 3.650 18244 1345 1 3 . 1 1 79 79 GLN CA C 236 55.900 55.900 54.607 1.293 18244 1346 1 3 . 1 1 79 79 GLN CB C 236 29.500 29.500 29.638 -0.138 18244 1347 1 3 . 1 1 79 79 GLN H H 236 8.253 8.253 7.548 0.705 18244 1348 1 3 . 1 1 80 80 ALA N N 237 125.698 125.698 126.787 -1.089 18244 1349 1 3 . 1 1 80 80 ALA HA H 237 4.336 4.336 4.323 0.013 18244 1350 1 3 . 1 1 80 80 ALA C C 237 179.000 179.000 177.463 1.537 18244 1351 1 3 . 1 1 80 80 ALA CA C 237 52.800 52.800 52.114 0.686 18244 1352 1 3 . 1 1 80 80 ALA CB C 237 19.300 19.300 19.118 0.182 18244 1353 1 3 . 1 1 80 80 ALA H H 237 8.237 8.237 8.311 -0.074 18244 1354 1 4 . 1 1 2 2 ARG HA H 159 4.353 4.353 4.651 -0.298 18244 1355 1 4 . 1 1 2 2 ARG C C 159 178.200 178.200 175.300 2.900 18244 1356 1 4 . 1 1 2 2 ARG CA C 159 56.300 56.300 57.230 -0.930 18244 1357 1 4 . 1 1 2 2 ARG CB C 159 30.900 30.900 31.137 -0.237 18244 1358 1 4 . 1 1 3 3 ARG N N 160 123.623 123.623 121.082 2.541 18244 1359 1 4 . 1 1 3 3 ARG HA H 160 4.306 4.306 4.399 -0.093 18244 1360 1 4 . 1 1 3 3 ARG C C 160 178.000 178.000 174.225 3.775 18244 1361 1 4 . 1 1 3 3 ARG CA C 160 56.100 56.100 55.650 0.450 18244 1362 1 4 . 1 1 3 3 ARG CB C 160 31.000 31.000 31.456 -0.456 18244 1363 1 4 . 1 1 3 3 ARG H H 160 8.558 8.558 8.152 0.406 18244 1364 1 4 . 1 1 4 4 GLN N N 161 122.962 122.962 125.181 -2.219 18244 1365 1 4 . 1 1 4 4 GLN HA H 161 4.355 4.355 4.358 -0.003 18244 1366 1 4 . 1 1 4 4 GLN C C 161 177.900 177.900 174.434 3.466 18244 1367 1 4 . 1 1 4 4 GLN CA C 161 55.500 55.500 55.873 -0.373 18244 1368 1 4 . 1 1 4 4 GLN CB C 161 29.600 29.600 29.852 -0.252 18244 1369 1 4 . 1 1 4 4 GLN H H 161 8.515 8.515 8.603 -0.088 18244 1370 1 4 . 1 1 5 5 LEU N N 162 124.755 124.755 124.179 0.576 18244 1371 1 4 . 1 1 5 5 LEU HA H 162 4.577 4.577 4.631 -0.054 18244 1372 1 4 . 1 1 5 5 LEU C C 162 180.500 180.500 176.389 4.111 18244 1373 1 4 . 1 1 5 5 LEU CA C 162 54.700 54.700 54.432 0.268 18244 1374 1 4 . 1 1 5 5 LEU CB C 162 42.900 42.900 42.423 0.477 18244 1375 1 4 . 1 1 5 5 LEU H H 162 8.480 8.480 8.530 -0.050 18244 1376 1 4 . 1 1 6 6 THR N N 163 114.727 114.727 114.360 0.367 18244 1377 1 4 . 1 1 6 6 THR HA H 163 4.596 4.596 4.574 0.022 18244 1378 1 4 . 1 1 6 6 THR CA C 163 60.200 60.200 59.337 0.863 18244 1379 1 4 . 1 1 6 6 THR CB C 163 68.200 68.200 69.635 -1.435 18244 1380 1 4 . 1 1 6 6 THR H H 163 8.623 8.623 8.094 0.529 18244 1381 1 4 . 1 1 7 7 PRO HA H 164 4.263 4.263 4.170 0.093 18244 1382 1 4 . 1 1 7 7 PRO C C 164 181.600 181.600 178.867 2.733 18244 1383 1 4 . 1 1 7 7 PRO CA C 164 65.900 65.900 65.549 0.351 18244 1384 1 4 . 1 1 7 7 PRO CB C 164 31.600 31.600 31.883 -0.282 18244 1385 1 4 . 1 1 8 8 GLN N N 165 116.429 116.429 116.386 0.043 18244 1386 1 4 . 1 1 8 8 GLN HA H 165 4.063 4.063 4.108 -0.045 18244 1387 1 4 . 1 1 8 8 GLN C C 165 181.300 181.300 177.681 3.619 18244 1388 1 4 . 1 1 8 8 GLN CA C 165 59.500 59.500 58.679 0.821 18244 1389 1 4 . 1 1 8 8 GLN CB C 165 28.300 28.300 28.330 -0.030 18244 1390 1 4 . 1 1 8 8 GLN H H 165 8.439 8.439 8.527 -0.088 18244 1391 1 4 . 1 1 9 9 GLN N N 166 120.164 120.164 117.987 2.177 18244 1392 1 4 . 1 1 9 9 GLN HA H 166 3.948 3.948 4.161 -0.213 18244 1393 1 4 . 1 1 9 9 GLN C C 166 180.600 180.600 178.751 1.849 18244 1394 1 4 . 1 1 9 9 GLN CA C 166 58.700 58.700 58.258 0.443 18244 1395 1 4 . 1 1 9 9 GLN CB C 166 29.300 29.300 29.039 0.261 18244 1396 1 4 . 1 1 9 9 GLN H H 166 7.760 7.760 7.656 0.104 18244 1397 1 4 . 1 1 10 10 GLN N N 167 119.164 119.164 120.514 -1.350 18244 1398 1 4 . 1 1 10 10 GLN HA H 167 3.860 3.860 3.983 -0.123 18244 1399 1 4 . 1 1 10 10 GLN C C 167 180.300 180.300 178.254 2.046 18244 1400 1 4 . 1 1 10 10 GLN CA C 167 58.600 58.600 59.059 -0.459 18244 1401 1 4 . 1 1 10 10 GLN CB C 167 29.000 29.000 28.648 0.352 18244 1402 1 4 . 1 1 10 10 GLN H H 167 8.787 8.787 8.624 0.163 18244 1403 1 4 . 1 1 11 11 GLN N N 168 118.139 118.139 118.064 0.075 18244 1404 1 4 . 1 1 11 11 GLN HA H 168 4.111 4.111 4.119 -0.008 18244 1405 1 4 . 1 1 11 11 GLN C C 168 180.600 180.600 178.613 1.987 18244 1406 1 4 . 1 1 11 11 GLN CA C 168 58.900 58.900 57.906 0.994 18244 1407 1 4 . 1 1 11 11 GLN CB C 168 28.500 28.500 28.371 0.129 18244 1408 1 4 . 1 1 11 11 GLN H H 168 7.987 7.987 7.740 0.247 18244 1409 1 4 . 1 1 12 12 LEU N N 169 120.649 120.649 118.953 1.696 18244 1410 1 4 . 1 1 12 12 LEU HA H 169 4.138 4.138 4.113 0.025 18244 1411 1 4 . 1 1 12 12 LEU C C 169 181.300 181.300 178.414 2.886 18244 1412 1 4 . 1 1 12 12 LEU CA C 169 58.100 58.100 57.422 0.678 18244 1413 1 4 . 1 1 12 12 LEU CB C 169 41.600 41.600 41.900 -0.300 18244 1414 1 4 . 1 1 12 12 LEU H H 169 7.457 7.457 7.745 -0.288 18244 1415 1 4 . 1 1 13 13 VAL N N 170 119.772 119.772 116.492 3.280 18244 1416 1 4 . 1 1 13 13 VAL HA H 170 3.570 3.570 3.888 -0.318 18244 1417 1 4 . 1 1 13 13 VAL C C 170 180.700 180.700 178.418 2.282 18244 1418 1 4 . 1 1 13 13 VAL CA C 170 66.700 66.700 63.995 2.705 18244 1419 1 4 . 1 1 13 13 VAL CB C 170 31.700 31.700 31.154 0.546 18244 1420 1 4 . 1 1 13 13 VAL H H 170 8.101 8.101 7.547 0.554 18244 1421 1 4 . 1 1 14 14 ASN N N 171 118.278 118.278 119.001 -0.723 18244 1422 1 4 . 1 1 14 14 ASN HA H 171 4.454 4.454 4.580 -0.126 18244 1423 1 4 . 1 1 14 14 ASN C C 171 180.800 180.800 177.874 2.926 18244 1424 1 4 . 1 1 14 14 ASN CA C 171 56.000 56.000 55.680 0.320 18244 1425 1 4 . 1 1 14 14 ASN CB C 171 37.600 37.600 38.094 -0.494 18244 1426 1 4 . 1 1 14 14 ASN H H 171 8.253 8.253 7.985 0.268 18244 1427 1 4 . 1 1 15 15 GLN N N 172 120.079 120.079 117.893 2.186 18244 1428 1 4 . 1 1 15 15 GLN HA H 172 4.152 4.152 4.300 -0.148 18244 1429 1 4 . 1 1 15 15 GLN C C 172 181.100 181.100 176.543 4.557 18244 1430 1 4 . 1 1 15 15 GLN CA C 172 58.600 58.600 57.478 1.122 18244 1431 1 4 . 1 1 15 15 GLN CB C 172 28.800 28.800 28.943 -0.143 18244 1432 1 4 . 1 1 15 15 GLN H H 172 8.112 8.112 7.637 0.475 18244 1433 1 4 . 1 1 16 16 MET N N 173 118.323 118.323 117.668 0.655 18244 1434 1 4 . 1 1 16 16 MET HA H 173 4.266 4.266 4.603 -0.337 18244 1435 1 4 . 1 1 16 16 MET C C 173 180.300 180.300 176.098 4.202 18244 1436 1 4 . 1 1 16 16 MET CA C 173 57.300 57.300 55.184 2.116 18244 1437 1 4 . 1 1 16 16 MET CB C 173 31.400 31.400 32.825 -1.425 18244 1438 1 4 . 1 1 16 16 MET H H 173 8.371 8.371 7.487 0.884 18244 1439 1 4 . 1 1 17 17 LYS N N 174 117.179 117.179 120.032 -2.853 18244 1440 1 4 . 1 1 17 17 LYS HA H 174 4.450 4.450 4.382 0.068 18244 1441 1 4 . 1 1 17 17 LYS C C 174 178.400 178.400 177.145 1.255 18244 1442 1 4 . 1 1 17 17 LYS CA C 174 55.800 55.800 56.805 -1.005 18244 1443 1 4 . 1 1 17 17 LYS CB C 174 33.600 33.600 33.379 0.221 18244 1444 1 4 . 1 1 17 17 LYS H H 174 7.798 7.798 7.860 -0.062 18244 1445 1 4 . 1 1 18 18 VAL N N 175 135.773 135.773 120.233 15.540 18244 1446 1 4 . 1 1 18 18 VAL HA H 175 4.674 4.674 4.313 0.361 18244 1447 1 4 . 1 1 18 18 VAL C C 175 177.700 177.700 175.077 2.623 18244 1448 1 4 . 1 1 18 18 VAL CA C 175 60.100 60.100 61.338 -1.238 18244 1449 1 4 . 1 1 18 18 VAL CB C 175 33.200 33.200 29.832 3.368 18244 1450 1 4 . 1 1 18 18 VAL H H 175 6.894 6.894 8.363 -1.469 18244 1451 1 4 . 1 1 19 19 ALA N N 176 127.267 127.267 131.777 -4.510 18244 1452 1 4 . 1 1 19 19 ALA HA H 176 4.653 4.653 4.956 -0.303 18244 1453 1 4 . 1 1 19 19 ALA CA C 176 50.200 50.200 49.992 0.208 18244 1454 1 4 . 1 1 19 19 ALA CB C 176 18.800 18.800 21.151 -2.351 18244 1455 1 4 . 1 1 19 19 ALA H H 176 7.508 7.508 7.964 -0.456 18244 1456 1 4 . 1 1 20 20 PRO HA H 177 4.439 4.439 5.139 -0.700 18244 1457 1 4 . 1 1 20 20 PRO C C 177 179.700 179.700 175.633 4.067 18244 1458 1 4 . 1 1 20 20 PRO CA C 177 62.900 62.900 61.819 1.081 18244 1459 1 4 . 1 1 20 20 PRO CB C 177 31.400 31.400 32.981 -1.581 18244 1460 1 4 . 1 1 21 21 ILE N N 178 128.957 128.957 120.999 7.958 18244 1461 1 4 . 1 1 21 21 ILE HA H 178 3.571 3.571 3.893 -0.322 18244 1462 1 4 . 1 1 21 21 ILE CA C 178 59.700 59.700 58.295 1.405 18244 1463 1 4 . 1 1 21 21 ILE CB C 178 39.300 39.300 37.585 1.715 18244 1464 1 4 . 1 1 21 21 ILE H H 178 8.659 8.659 7.944 0.715 18244 1465 1 4 . 1 1 22 22 PRO HA H 179 4.298 4.298 4.318 -0.020 18244 1466 1 4 . 1 1 22 22 PRO C C 179 180.600 180.600 177.350 3.250 18244 1467 1 4 . 1 1 22 22 PRO CA C 179 62.900 62.900 62.489 0.411 18244 1468 1 4 . 1 1 22 22 PRO CB C 179 32.600 32.600 32.405 0.195 18244 1469 1 4 . 1 1 23 23 LYS N N 180 126.052 126.052 123.399 2.653 18244 1470 1 4 . 1 1 23 23 LYS HA H 180 3.848 3.848 3.933 -0.085 18244 1471 1 4 . 1 1 23 23 LYS C C 180 180.300 180.300 179.012 1.288 18244 1472 1 4 . 1 1 23 23 LYS CA C 180 60.200 60.200 59.502 0.698 18244 1473 1 4 . 1 1 23 23 LYS CB C 180 32.400 32.400 31.869 0.531 18244 1474 1 4 . 1 1 23 23 LYS H H 180 8.871 8.871 8.586 0.285 18244 1475 1 4 . 1 1 24 24 GLN N N 181 115.658 115.658 117.978 -2.320 18244 1476 1 4 . 1 1 24 24 GLN HA H 181 4.102 4.102 4.097 0.005 18244 1477 1 4 . 1 1 24 24 GLN C C 181 179.000 179.000 178.258 0.742 18244 1478 1 4 . 1 1 24 24 GLN CA C 181 58.600 58.600 58.754 -0.154 18244 1479 1 4 . 1 1 24 24 GLN CB C 181 27.400 27.400 28.350 -0.950 18244 1480 1 4 . 1 1 24 24 GLN H H 181 9.038 9.038 8.591 0.447 18244 1481 1 4 . 1 1 25 25 LEU N N 182 117.088 117.088 119.876 -2.788 18244 1482 1 4 . 1 1 25 25 LEU HA H 182 4.231 4.231 4.179 0.052 18244 1483 1 4 . 1 1 25 25 LEU C C 182 180.300 180.300 179.182 1.118 18244 1484 1 4 . 1 1 25 25 LEU CA C 182 56.600 56.600 56.713 -0.113 18244 1485 1 4 . 1 1 25 25 LEU CB C 182 40.900 40.900 42.184 -1.284 18244 1486 1 4 . 1 1 25 25 LEU H H 182 7.309 7.309 7.688 -0.379 18244 1487 1 4 . 1 1 26 26 LEU N N 183 120.917 120.917 120.607 0.310 18244 1488 1 4 . 1 1 26 26 LEU HA H 183 3.699 3.699 3.915 -0.216 18244 1489 1 4 . 1 1 26 26 LEU C C 183 181.300 181.300 179.286 2.014 18244 1490 1 4 . 1 1 26 26 LEU CA C 183 57.900 57.900 57.562 0.339 18244 1491 1 4 . 1 1 26 26 LEU CB C 183 42.400 42.400 41.429 0.971 18244 1492 1 4 . 1 1 26 26 LEU H H 183 7.842 7.842 8.241 -0.399 18244 1493 1 4 . 1 1 27 27 GLN N N 184 112.112 112.112 116.786 -4.674 18244 1494 1 4 . 1 1 27 27 GLN HA H 184 4.082 4.082 4.194 -0.112 18244 1495 1 4 . 1 1 27 27 GLN C C 184 178.800 178.800 177.339 1.461 18244 1496 1 4 . 1 1 27 27 GLN CA C 184 57.300 57.300 57.056 0.244 18244 1497 1 4 . 1 1 27 27 GLN CB C 184 28.500 28.500 27.571 0.929 18244 1498 1 4 . 1 1 27 27 GLN H H 184 7.505 7.505 7.866 -0.361 18244 1499 1 4 . 1 1 28 28 ARG N N 185 116.659 116.659 118.596 -1.937 18244 1500 1 4 . 1 1 28 28 ARG HA H 185 4.187 4.187 4.321 -0.134 18244 1501 1 4 . 1 1 28 28 ARG C C 185 177.900 177.900 176.388 1.512 18244 1502 1 4 . 1 1 28 28 ARG CA C 185 56.600 56.600 57.236 -0.636 18244 1503 1 4 . 1 1 28 28 ARG CB C 185 30.700 30.700 31.299 -0.599 18244 1504 1 4 . 1 1 28 28 ARG H H 185 7.488 7.488 7.527 -0.039 18244 1505 1 4 . 1 1 29 29 ILE N N 186 121.078 121.078 121.925 -0.847 18244 1506 1 4 . 1 1 29 29 ILE HA H 186 4.352 4.352 4.321 0.031 18244 1507 1 4 . 1 1 29 29 ILE CA C 186 59.300 59.300 59.023 0.277 18244 1508 1 4 . 1 1 29 29 ILE CB C 186 37.800 37.800 38.242 -0.442 18244 1509 1 4 . 1 1 29 29 ILE H H 186 7.630 7.630 7.274 0.356 18244 1510 1 4 . 1 1 30 30 PRO HA H 187 4.256 4.256 4.758 -0.502 18244 1511 1 4 . 1 1 30 30 PRO C C 187 178.500 178.500 177.050 1.450 18244 1512 1 4 . 1 1 30 30 PRO CA C 187 64.100 64.100 62.165 1.935 18244 1513 1 4 . 1 1 30 30 PRO CB C 187 32.400 32.400 32.621 -0.221 18244 1514 1 4 . 1 1 31 31 ASN N N 188 110.335 110.335 114.290 -3.955 18244 1515 1 4 . 1 1 31 31 ASN HA H 188 4.398 4.398 4.458 -0.060 18244 1516 1 4 . 1 1 31 31 ASN C C 188 177.500 177.500 174.282 3.218 18244 1517 1 4 . 1 1 31 31 ASN CA C 188 54.400 54.400 55.286 -0.886 18244 1518 1 4 . 1 1 31 31 ASN CB C 188 37.700 37.700 37.713 -0.013 18244 1519 1 4 . 1 1 31 31 ASN H H 188 8.464 8.464 8.858 -0.394 18244 1520 1 4 . 1 1 32 32 ILE N N 189 117.608 117.608 116.127 1.481 18244 1521 1 4 . 1 1 32 32 ILE HA H 189 4.416 4.416 4.575 -0.159 18244 1522 1 4 . 1 1 32 32 ILE CA C 189 58.100 58.100 58.511 -0.411 18244 1523 1 4 . 1 1 32 32 ILE CB C 189 38.600 38.600 40.473 -1.873 18244 1524 1 4 . 1 1 32 32 ILE H H 189 7.325 7.325 7.572 -0.247 18244 1525 1 4 . 1 1 33 33 PRO HA H 190 4.749 4.749 4.979 -0.230 18244 1526 1 4 . 1 1 33 33 PRO CA C 190 61.700 61.700 61.100 0.600 18244 1527 1 4 . 1 1 33 33 PRO CB C 190 31.000 31.000 31.415 -0.415 18244 1528 1 4 . 1 1 34 34 PRO HA H 191 4.391 4.391 4.178 0.213 18244 1529 1 4 . 1 1 34 34 PRO C C 191 178.600 178.600 177.167 1.433 18244 1530 1 4 . 1 1 34 34 PRO CA C 191 63.700 63.700 64.001 -0.301 18244 1531 1 4 . 1 1 34 34 PRO CB C 191 32.000 32.000 32.046 -0.046 18244 1532 1 4 . 1 1 35 35 ASN N N 192 112.827 112.827 115.204 -2.377 18244 1533 1 4 . 1 1 35 35 ASN HA H 192 4.456 4.456 4.544 -0.088 18244 1534 1 4 . 1 1 35 35 ASN C C 192 176.500 176.500 174.014 2.486 18244 1535 1 4 . 1 1 35 35 ASN CA C 192 53.700 53.700 53.716 -0.016 18244 1536 1 4 . 1 1 35 35 ASN CB C 192 37.300 37.300 38.331 -1.031 18244 1537 1 4 . 1 1 35 35 ASN H H 192 8.256 8.256 8.649 -0.393 18244 1538 1 4 . 1 1 36 36 ILE N N 193 119.133 119.133 111.221 7.912 18244 1539 1 4 . 1 1 36 36 ILE HA H 193 4.144 4.144 4.385 -0.241 18244 1540 1 4 . 1 1 36 36 ILE C C 193 177.200 177.200 173.763 3.437 18244 1541 1 4 . 1 1 36 36 ILE CA C 193 59.100 59.100 59.359 -0.259 18244 1542 1 4 . 1 1 36 36 ILE CB C 193 37.000 37.000 39.979 -2.979 18244 1543 1 4 . 1 1 36 36 ILE H H 193 7.166 7.166 7.376 -0.210 18244 1544 1 4 . 1 1 37 37 ASN N N 194 121.068 121.068 115.846 5.222 18244 1545 1 4 . 1 1 37 37 ASN HA H 194 4.667 4.667 4.704 -0.037 18244 1546 1 4 . 1 1 37 37 ASN C C 194 175.600 175.600 174.566 1.034 18244 1547 1 4 . 1 1 37 37 ASN CA C 194 53.400 53.400 53.565 -0.165 18244 1548 1 4 . 1 1 37 37 ASN CB C 194 40.400 40.400 40.913 -0.513 18244 1549 1 4 . 1 1 37 37 ASN H H 194 8.764 8.764 8.475 0.289 18244 1550 1 4 . 1 1 38 38 THR N N 195 106.795 106.795 114.418 -7.623 18244 1551 1 4 . 1 1 38 38 THR HA H 195 4.924 4.924 4.512 0.412 18244 1552 1 4 . 1 1 38 38 THR C C 195 178.000 178.000 175.544 2.456 18244 1553 1 4 . 1 1 38 38 THR CA C 195 58.800 58.800 62.456 -3.656 18244 1554 1 4 . 1 1 38 38 THR CB C 195 73.500 73.500 68.960 4.540 18244 1555 1 4 . 1 1 38 38 THR H H 195 7.527 7.527 7.845 -0.318 18244 1556 1 4 . 1 1 39 39 TRP N N 196 123.744 123.744 127.066 -3.322 18244 1557 1 4 . 1 1 39 39 TRP HA H 196 4.533 4.533 4.184 0.349 18244 1558 1 4 . 1 1 39 39 TRP C C 196 182.300 182.300 178.374 3.926 18244 1559 1 4 . 1 1 39 39 TRP CA C 196 60.100 60.100 61.876 -1.776 18244 1560 1 4 . 1 1 39 39 TRP CB C 196 29.400 29.400 29.366 0.034 18244 1561 1 4 . 1 1 39 39 TRP H H 196 10.363 10.363 8.696 1.667 18244 1562 1 4 . 1 1 40 40 GLN N N 197 120.207 120.207 116.928 3.279 18244 1563 1 4 . 1 1 40 40 GLN HA H 197 4.268 4.268 4.008 0.260 18244 1564 1 4 . 1 1 40 40 GLN C C 197 180.900 180.900 177.519 3.381 18244 1565 1 4 . 1 1 40 40 GLN CA C 197 59.500 59.500 58.855 0.645 18244 1566 1 4 . 1 1 40 40 GLN CB C 197 28.500 28.500 28.323 0.177 18244 1567 1 4 . 1 1 40 40 GLN H H 197 8.550 8.550 8.793 -0.243 18244 1568 1 4 . 1 1 41 41 GLN N N 198 118.163 118.163 116.019 2.144 18244 1569 1 4 . 1 1 41 41 GLN HA H 198 4.191 4.191 4.252 -0.061 18244 1570 1 4 . 1 1 41 41 GLN C C 198 181.500 181.500 178.001 3.499 18244 1571 1 4 . 1 1 41 41 GLN CA C 198 58.500 58.500 57.622 0.878 18244 1572 1 4 . 1 1 41 41 GLN CB C 198 30.400 30.400 29.386 1.014 18244 1573 1 4 . 1 1 41 41 GLN H H 198 7.594 7.594 7.731 -0.137 18244 1574 1 4 . 1 1 42 42 VAL N N 199 121.112 121.112 120.176 0.936 18244 1575 1 4 . 1 1 42 42 VAL HA H 199 3.479 3.479 3.754 -0.275 18244 1576 1 4 . 1 1 42 42 VAL C C 199 180.000 180.000 177.896 2.104 18244 1577 1 4 . 1 1 42 42 VAL CA C 199 67.500 67.500 65.979 1.521 18244 1578 1 4 . 1 1 42 42 VAL CB C 199 32.000 32.000 31.542 0.458 18244 1579 1 4 . 1 1 42 42 VAL H H 199 8.116 8.116 7.759 0.357 18244 1580 1 4 . 1 1 43 43 THR N N 200 113.870 113.870 115.085 -1.215 18244 1581 1 4 . 1 1 43 43 THR HA H 200 3.904 3.904 4.157 -0.253 18244 1582 1 4 . 1 1 43 43 THR C C 200 178.900 178.900 175.678 3.222 18244 1583 1 4 . 1 1 43 43 THR CA C 200 67.000 67.000 65.549 1.451 18244 1584 1 4 . 1 1 43 43 THR CB C 200 68.500 68.500 68.313 0.187 18244 1585 1 4 . 1 1 43 43 THR H H 200 8.726 8.726 7.972 0.754 18244 1586 1 4 . 1 1 44 44 ALA N N 201 124.369 124.369 124.192 0.177 18244 1587 1 4 . 1 1 44 44 ALA HA H 201 4.280 4.280 4.410 -0.130 18244 1588 1 4 . 1 1 44 44 ALA C C 201 182.700 182.700 179.397 3.303 18244 1589 1 4 . 1 1 44 44 ALA CA C 201 55.500 55.500 54.869 0.631 18244 1590 1 4 . 1 1 44 44 ALA CB C 201 17.900 17.900 18.363 -0.463 18244 1591 1 4 . 1 1 44 44 ALA H H 201 7.539 7.539 7.459 0.080 18244 1592 1 4 . 1 1 45 45 LEU N N 202 117.896 117.896 115.360 2.536 18244 1593 1 4 . 1 1 45 45 LEU HA H 202 4.068 4.068 4.591 -0.523 18244 1594 1 4 . 1 1 45 45 LEU C C 202 182.200 182.200 178.415 3.785 18244 1595 1 4 . 1 1 45 45 LEU CA C 202 58.100 58.100 57.183 0.917 18244 1596 1 4 . 1 1 45 45 LEU CB C 202 41.800 41.800 40.956 0.844 18244 1597 1 4 . 1 1 45 45 LEU H H 202 7.716 7.716 7.528 0.188 18244 1598 1 4 . 1 1 46 46 ALA N N 203 121.746 121.746 122.209 -0.463 18244 1599 1 4 . 1 1 46 46 ALA HA H 203 4.184 4.184 4.113 0.071 18244 1600 1 4 . 1 1 46 46 ALA C C 203 184.300 184.300 180.320 3.980 18244 1601 1 4 . 1 1 46 46 ALA CA C 203 55.400 55.400 54.846 0.554 18244 1602 1 4 . 1 1 46 46 ALA CB C 203 18.100 18.100 18.191 -0.091 18244 1603 1 4 . 1 1 46 46 ALA H H 203 8.117 8.117 7.497 0.620 18244 1604 1 4 . 1 1 47 47 GLN N N 204 120.247 120.247 118.821 1.426 18244 1605 1 4 . 1 1 47 47 GLN HA H 204 4.088 4.088 4.071 0.017 18244 1606 1 4 . 1 1 47 47 GLN C C 204 180.100 180.100 178.108 1.992 18244 1607 1 4 . 1 1 47 47 GLN CA C 204 58.900 58.900 58.380 0.520 18244 1608 1 4 . 1 1 47 47 GLN CB C 204 28.500 28.500 28.733 -0.233 18244 1609 1 4 . 1 1 47 47 GLN H H 204 8.515 8.515 8.154 0.361 18244 1610 1 4 . 1 1 48 48 GLN N N 205 116.167 116.167 116.206 -0.039 18244 1611 1 4 . 1 1 48 48 GLN HA H 205 4.290 4.290 4.290 -0.000 18244 1612 1 4 . 1 1 48 48 GLN C C 205 176.700 176.700 174.904 1.796 18244 1613 1 4 . 1 1 48 48 GLN CA C 205 55.900 55.900 55.824 0.076 18244 1614 1 4 . 1 1 48 48 GLN CB C 205 30.000 30.000 29.185 0.815 18244 1615 1 4 . 1 1 48 48 GLN H H 205 7.534 7.534 7.497 0.037 18244 1616 1 4 . 1 1 49 49 LYS N N 206 113.354 113.354 116.085 -2.731 18244 1617 1 4 . 1 1 49 49 LYS HA H 206 4.118 4.118 4.069 0.049 18244 1618 1 4 . 1 1 49 49 LYS C C 206 178.700 178.700 176.051 2.649 18244 1619 1 4 . 1 1 49 49 LYS CA C 206 57.500 57.500 57.087 0.412 18244 1620 1 4 . 1 1 49 49 LYS CB C 206 28.300 28.300 29.216 -0.916 18244 1621 1 4 . 1 1 49 49 LYS H H 206 7.957 7.957 7.900 0.057 18244 1622 1 4 . 1 1 50 50 LEU N N 207 116.944 116.944 118.061 -1.117 18244 1623 1 4 . 1 1 50 50 LEU HA H 207 4.423 4.423 4.378 0.045 18244 1624 1 4 . 1 1 50 50 LEU C C 207 180.000 180.000 175.449 4.551 18244 1625 1 4 . 1 1 50 50 LEU CA C 207 55.300 55.300 54.211 1.089 18244 1626 1 4 . 1 1 50 50 LEU CB C 207 42.500 42.500 42.373 0.127 18244 1627 1 4 . 1 1 50 50 LEU H H 207 8.016 8.016 7.636 0.380 18244 1628 1 4 . 1 1 51 51 LEU N N 208 117.793 117.793 120.321 -2.528 18244 1629 1 4 . 1 1 51 51 LEU HA H 208 4.922 4.922 4.819 0.103 18244 1630 1 4 . 1 1 51 51 LEU C C 208 179.000 179.000 176.076 2.924 18244 1631 1 4 . 1 1 51 51 LEU CA C 208 53.400 53.400 53.602 -0.202 18244 1632 1 4 . 1 1 51 51 LEU CB C 208 44.500 44.500 45.908 -1.408 18244 1633 1 4 . 1 1 51 51 LEU H H 208 7.109 7.109 7.521 -0.412 18244 1634 1 4 . 1 1 52 52 THR N N 209 115.695 115.695 115.848 -0.153 18244 1635 1 4 . 1 1 52 52 THR HA H 209 4.623 4.623 4.979 -0.356 18244 1636 1 4 . 1 1 52 52 THR CA C 209 60.700 60.700 59.080 1.620 18244 1637 1 4 . 1 1 52 52 THR CB C 209 69.000 69.000 69.893 -0.893 18244 1638 1 4 . 1 1 52 52 THR H H 209 9.460 9.460 9.707 -0.247 18244 1639 1 4 . 1 1 53 53 PRO HA H 210 4.275 4.275 4.240 0.035 18244 1640 1 4 . 1 1 53 53 PRO C C 210 181.700 181.700 178.138 3.562 18244 1641 1 4 . 1 1 53 53 PRO CA C 210 66.000 66.000 65.418 0.582 18244 1642 1 4 . 1 1 53 53 PRO CB C 210 31.600 31.600 31.667 -0.067 18244 1643 1 4 . 1 1 54 54 GLN N N 211 116.837 116.837 117.054 -0.217 18244 1644 1 4 . 1 1 54 54 GLN HA H 211 4.119 4.119 4.050 0.069 18244 1645 1 4 . 1 1 54 54 GLN C C 211 181.500 181.500 178.071 3.429 18244 1646 1 4 . 1 1 54 54 GLN CA C 211 59.800 59.800 59.101 0.699 18244 1647 1 4 . 1 1 54 54 GLN CB C 211 28.100 28.100 28.193 -0.093 18244 1648 1 4 . 1 1 54 54 GLN H H 211 8.229 8.229 8.188 0.041 18244 1649 1 4 . 1 1 55 55 ASP N N 212 123.621 123.621 119.338 4.283 18244 1650 1 4 . 1 1 55 55 ASP HA H 212 4.353 4.353 4.488 -0.135 18244 1651 1 4 . 1 1 55 55 ASP C C 212 181.100 181.100 178.381 2.719 18244 1652 1 4 . 1 1 55 55 ASP CA C 212 57.900 57.900 56.372 1.528 18244 1653 1 4 . 1 1 55 55 ASP CB C 212 41.700 41.700 40.493 1.207 18244 1654 1 4 . 1 1 55 55 ASP H H 212 7.957 7.957 7.663 0.294 18244 1655 1 4 . 1 1 56 56 MET N N 213 117.263 117.263 119.406 -2.143 18244 1656 1 4 . 1 1 56 56 MET HA H 213 4.380 4.380 4.124 0.256 18244 1657 1 4 . 1 1 56 56 MET C C 213 181.000 181.000 178.476 2.524 18244 1658 1 4 . 1 1 56 56 MET CA C 213 57.100 57.100 59.597 -2.497 18244 1659 1 4 . 1 1 56 56 MET CB C 213 31.200 31.200 32.667 -1.467 18244 1660 1 4 . 1 1 56 56 MET H H 213 8.314 8.314 8.289 0.025 18244 1661 1 4 . 1 1 57 57 GLU N N 214 120.570 120.570 118.830 1.740 18244 1662 1 4 . 1 1 57 57 GLU HA H 214 4.085 4.085 4.098 -0.013 18244 1663 1 4 . 1 1 57 57 GLU C C 214 181.700 181.700 178.848 2.852 18244 1664 1 4 . 1 1 57 57 GLU CA C 214 59.500 59.500 59.280 0.220 18244 1665 1 4 . 1 1 57 57 GLU CB C 214 29.300 29.300 29.373 -0.073 18244 1666 1 4 . 1 1 57 57 GLU H H 214 8.039 8.039 7.939 0.100 18244 1667 1 4 . 1 1 58 58 ALA N N 215 121.915 121.915 120.900 1.015 18244 1668 1 4 . 1 1 58 58 ALA HA H 215 4.361 4.361 4.291 0.070 18244 1669 1 4 . 1 1 58 58 ALA C C 215 182.800 182.800 179.462 3.338 18244 1670 1 4 . 1 1 58 58 ALA CA C 215 55.100 55.100 54.479 0.621 18244 1671 1 4 . 1 1 58 58 ALA CB C 215 18.500 18.500 18.412 0.088 18244 1672 1 4 . 1 1 58 58 ALA H H 215 7.571 7.571 7.416 0.155 18244 1673 1 4 . 1 1 59 59 ALA N N 216 120.749 120.749 122.007 -1.258 18244 1674 1 4 . 1 1 59 59 ALA HA H 216 4.137 4.137 4.082 0.055 18244 1675 1 4 . 1 1 59 59 ALA C C 216 180.800 180.800 178.875 1.925 18244 1676 1 4 . 1 1 59 59 ALA CA C 216 55.700 55.700 55.084 0.616 18244 1677 1 4 . 1 1 59 59 ALA CB C 216 18.100 18.100 18.723 -0.623 18244 1678 1 4 . 1 1 59 59 ALA H H 216 8.728 8.728 8.134 0.594 18244 1679 1 4 . 1 1 60 60 LYS N N 217 117.415 117.415 117.248 0.167 18244 1680 1 4 . 1 1 60 60 LYS HA H 217 3.700 3.700 4.055 -0.355 18244 1681 1 4 . 1 1 60 60 LYS C C 217 181.300 181.300 178.440 2.860 18244 1682 1 4 . 1 1 60 60 LYS CA C 217 60.200 60.200 59.188 1.012 18244 1683 1 4 . 1 1 60 60 LYS CB C 217 32.600 32.600 32.148 0.452 18244 1684 1 4 . 1 1 60 60 LYS H H 217 8.292 8.292 8.091 0.201 18244 1685 1 4 . 1 1 61 61 GLN N N 218 118.499 118.499 118.711 -0.212 18244 1686 1 4 . 1 1 61 61 GLN HA H 218 4.171 4.171 4.164 0.007 18244 1687 1 4 . 1 1 61 61 GLN C C 218 181.500 181.500 178.359 3.141 18244 1688 1 4 . 1 1 61 61 GLN CA C 218 59.200 59.200 58.652 0.548 18244 1689 1 4 . 1 1 61 61 GLN CB C 218 29.400 29.400 28.611 0.789 18244 1690 1 4 . 1 1 61 61 GLN H H 218 7.401 7.401 7.437 -0.036 18244 1691 1 4 . 1 1 62 62 VAL N N 219 119.685 119.685 120.875 -1.190 18244 1692 1 4 . 1 1 62 62 VAL HA H 219 3.746 3.746 3.599 0.147 18244 1693 1 4 . 1 1 62 62 VAL C C 219 179.400 179.400 177.773 1.627 18244 1694 1 4 . 1 1 62 62 VAL CA C 219 66.800 66.800 66.780 0.020 18244 1695 1 4 . 1 1 62 62 VAL CB C 219 31.900 31.900 31.735 0.165 18244 1696 1 4 . 1 1 62 62 VAL H H 219 8.036 8.036 7.532 0.504 18244 1697 1 4 . 1 1 63 63 TYR N N 220 123.794 123.794 119.377 4.417 18244 1698 1 4 . 1 1 63 63 TYR HA H 220 3.725 3.725 4.459 -0.734 18244 1699 1 4 . 1 1 63 63 TYR C C 220 179.300 179.300 177.683 1.617 18244 1700 1 4 . 1 1 63 63 TYR CA C 220 62.200 62.200 61.473 0.727 18244 1701 1 4 . 1 1 63 63 TYR CB C 220 38.000 38.000 38.325 -0.325 18244 1702 1 4 . 1 1 63 63 TYR H H 220 8.802 8.802 7.993 0.809 18244 1703 1 4 . 1 1 64 64 LYS N N 221 117.772 117.772 118.346 -0.574 18244 1704 1 4 . 1 1 64 64 LYS HA H 221 3.864 3.864 3.944 -0.080 18244 1705 1 4 . 1 1 64 64 LYS C C 221 181.700 181.700 178.879 2.821 18244 1706 1 4 . 1 1 64 64 LYS CA C 221 59.800 59.800 59.514 0.286 18244 1707 1 4 . 1 1 64 64 LYS CB C 221 32.200 32.200 32.585 -0.385 18244 1708 1 4 . 1 1 64 64 LYS H H 221 7.452 7.452 7.584 -0.132 18244 1709 1 4 . 1 1 65 65 ILE N N 222 119.985 119.985 119.058 0.927 18244 1710 1 4 . 1 1 65 65 ILE HA H 222 3.757 3.757 3.729 0.028 18244 1711 1 4 . 1 1 65 65 ILE C C 222 180.700 180.700 177.558 3.142 18244 1712 1 4 . 1 1 65 65 ILE CA C 222 65.000 65.000 64.738 0.262 18244 1713 1 4 . 1 1 65 65 ILE CB C 222 38.200 38.200 37.773 0.427 18244 1714 1 4 . 1 1 65 65 ILE H H 222 7.673 7.673 7.718 -0.045 18244 1715 1 4 . 1 1 66 66 HIS N N 223 121.506 121.506 119.688 1.818 18244 1716 1 4 . 1 1 66 66 HIS HA H 223 4.343 4.343 4.146 0.197 18244 1717 1 4 . 1 1 66 66 HIS C C 223 179.400 179.400 177.455 1.945 18244 1718 1 4 . 1 1 66 66 HIS CA C 223 57.500 57.500 59.209 -1.709 18244 1719 1 4 . 1 1 66 66 HIS CB C 223 32.800 32.800 30.312 2.488 18244 1720 1 4 . 1 1 66 66 HIS H H 223 8.943 8.943 8.472 0.471 18244 1721 1 4 . 1 1 67 67 GLN N N 224 117.421 117.421 118.000 -0.579 18244 1722 1 4 . 1 1 67 67 GLN HA H 224 3.720 3.720 3.911 -0.191 18244 1723 1 4 . 1 1 67 67 GLN C C 224 180.200 180.200 178.173 2.027 18244 1724 1 4 . 1 1 67 67 GLN CA C 224 59.800 59.800 59.167 0.632 18244 1725 1 4 . 1 1 67 67 GLN CB C 224 29.500 29.500 28.415 1.085 18244 1726 1 4 . 1 1 67 67 GLN H H 224 8.526 8.526 7.773 0.753 18244 1727 1 4 . 1 1 68 68 GLN N N 225 117.385 117.385 118.444 -1.059 18244 1728 1 4 . 1 1 68 68 GLN HA H 225 4.017 4.017 4.071 -0.054 18244 1729 1 4 . 1 1 68 68 GLN C C 225 181.100 181.100 178.519 2.581 18244 1730 1 4 . 1 1 68 68 GLN CA C 225 59.200 59.200 58.943 0.257 18244 1731 1 4 . 1 1 68 68 GLN CB C 225 28.400 28.400 28.038 0.362 18244 1732 1 4 . 1 1 68 68 GLN H H 225 7.673 7.673 7.468 0.205 18244 1733 1 4 . 1 1 69 69 LEU N N 226 120.608 120.608 120.809 -0.201 18244 1734 1 4 . 1 1 69 69 LEU HA H 226 4.126 4.126 4.143 -0.017 18244 1735 1 4 . 1 1 69 69 LEU C C 226 182.700 182.700 178.120 4.580 18244 1736 1 4 . 1 1 69 69 LEU CA C 226 58.200 58.200 57.763 0.437 18244 1737 1 4 . 1 1 69 69 LEU CB C 226 42.000 42.000 41.679 0.321 18244 1738 1 4 . 1 1 69 69 LEU H H 226 8.227 8.227 7.598 0.629 18244 1739 1 4 . 1 1 70 70 LEU N N 227 120.607 120.607 118.927 1.680 18244 1740 1 4 . 1 1 70 70 LEU HA H 227 4.108 4.108 3.846 0.262 18244 1741 1 4 . 1 1 70 70 LEU C C 227 181.900 181.900 179.188 2.712 18244 1742 1 4 . 1 1 70 70 LEU CA C 227 57.700 57.700 57.894 -0.194 18244 1743 1 4 . 1 1 70 70 LEU CB C 227 41.900 41.900 41.418 0.482 18244 1744 1 4 . 1 1 70 70 LEU H H 227 8.273 8.273 7.377 0.896 18244 1745 1 4 . 1 1 71 71 PHE N N 228 119.975 119.975 119.916 0.059 18244 1746 1 4 . 1 1 71 71 PHE HA H 228 4.315 4.315 4.040 0.275 18244 1747 1 4 . 1 1 71 71 PHE C C 228 180.100 180.100 177.148 2.952 18244 1748 1 4 . 1 1 71 71 PHE CA C 228 60.200 60.200 61.575 -1.375 18244 1749 1 4 . 1 1 71 71 PHE CB C 228 39.000 39.000 39.186 -0.186 18244 1750 1 4 . 1 1 71 71 PHE H H 228 8.469 8.469 7.981 0.488 18244 1751 1 4 . 1 1 72 72 LYS N N 229 119.148 119.148 118.695 0.453 18244 1752 1 4 . 1 1 72 72 LYS HA H 229 4.012 4.012 3.788 0.224 18244 1753 1 4 . 1 1 72 72 LYS C C 229 180.400 180.400 178.743 1.657 18244 1754 1 4 . 1 1 72 72 LYS CA C 229 58.800 58.800 59.602 -0.802 18244 1755 1 4 . 1 1 72 72 LYS CB C 229 32.300 32.300 32.132 0.168 18244 1756 1 4 . 1 1 72 72 LYS H H 229 8.143 8.143 8.102 0.041 18244 1757 1 4 . 1 1 73 73 ALA N N 230 121.483 121.483 121.476 0.007 18244 1758 1 4 . 1 1 73 73 ALA HA H 230 4.224 4.224 4.012 0.212 18244 1759 1 4 . 1 1 73 73 ALA C C 230 181.600 181.600 178.750 2.850 18244 1760 1 4 . 1 1 73 73 ALA CA C 230 54.200 54.200 54.902 -0.702 18244 1761 1 4 . 1 1 73 73 ALA CB C 230 18.500 18.500 18.508 -0.008 18244 1762 1 4 . 1 1 73 73 ALA H H 230 7.886 7.886 7.607 0.279 18244 1763 1 4 . 1 1 74 74 ARG N N 231 118.073 118.073 116.553 1.520 18244 1764 1 4 . 1 1 74 74 ARG HA H 231 4.189 4.189 4.143 0.046 18244 1765 1 4 . 1 1 74 74 ARG C C 231 179.900 179.900 177.700 2.200 18244 1766 1 4 . 1 1 74 74 ARG CA C 231 57.600 57.600 57.388 0.212 18244 1767 1 4 . 1 1 74 74 ARG CB C 231 30.100 30.100 30.572 -0.472 18244 1768 1 4 . 1 1 74 74 ARG H H 231 7.849 7.849 7.353 0.496 18244 1769 1 4 . 1 1 75 75 LEU N N 232 120.575 120.575 121.193 -0.618 18244 1770 1 4 . 1 1 75 75 LEU HA H 232 4.181 4.181 4.106 0.075 18244 1771 1 4 . 1 1 75 75 LEU C C 232 180.600 180.600 176.818 3.782 18244 1772 1 4 . 1 1 75 75 LEU CA C 232 56.400 56.400 56.266 0.134 18244 1773 1 4 . 1 1 75 75 LEU CB C 232 42.000 42.000 42.716 -0.716 18244 1774 1 4 . 1 1 75 75 LEU H H 232 7.847 7.847 7.376 0.471 18244 1775 1 4 . 1 1 76 76 GLN N N 233 118.890 118.890 118.854 0.036 18244 1776 1 4 . 1 1 76 76 GLN HA H 233 4.220 4.220 4.157 0.063 18244 1777 1 4 . 1 1 76 76 GLN C C 233 179.100 179.100 175.885 3.215 18244 1778 1 4 . 1 1 76 76 GLN CA C 233 56.900 56.900 56.286 0.614 18244 1779 1 4 . 1 1 76 76 GLN CB C 233 29.000 29.000 28.529 0.471 18244 1780 1 4 . 1 1 76 76 GLN H H 233 8.008 8.008 8.084 -0.076 18244 1781 1 4 . 1 1 77 77 GLN N N 234 119.836 119.836 122.334 -2.498 18244 1782 1 4 . 1 1 77 77 GLN HA H 234 4.263 4.263 4.370 -0.107 18244 1783 1 4 . 1 1 77 77 GLN C C 234 178.700 178.700 177.192 1.508 18244 1784 1 4 . 1 1 77 77 GLN CA C 234 56.700 56.700 56.298 0.402 18244 1785 1 4 . 1 1 77 77 GLN CB C 234 29.100 29.100 29.291 -0.191 18244 1786 1 4 . 1 1 77 77 GLN H H 234 8.078 8.078 8.688 -0.610 18244 1787 1 4 . 1 1 78 78 GLN N N 235 120.341 120.341 118.700 1.641 18244 1788 1 4 . 1 1 78 78 GLN HA H 235 4.288 4.288 4.383 -0.095 18244 1789 1 4 . 1 1 78 78 GLN C C 235 178.400 178.400 176.994 1.406 18244 1790 1 4 . 1 1 78 78 GLN CA C 235 56.400 56.400 56.694 -0.294 18244 1791 1 4 . 1 1 78 78 GLN CB C 235 29.300 29.300 29.885 -0.585 18244 1792 1 4 . 1 1 78 78 GLN H H 235 8.226 8.226 7.877 0.349 18244 1793 1 4 . 1 1 79 79 GLN N N 236 120.708 120.708 118.657 2.051 18244 1794 1 4 . 1 1 79 79 GLN HA H 236 4.316 4.316 4.514 -0.198 18244 1795 1 4 . 1 1 79 79 GLN C C 236 177.800 177.800 174.255 3.545 18244 1796 1 4 . 1 1 79 79 GLN CA C 236 55.900 55.900 54.811 1.089 18244 1797 1 4 . 1 1 79 79 GLN CB C 236 29.500 29.500 29.523 -0.022 18244 1798 1 4 . 1 1 79 79 GLN H H 236 8.253 8.253 7.978 0.275 18244 1799 1 4 . 1 1 80 80 ALA N N 237 125.698 125.698 126.491 -0.793 18244 1800 1 4 . 1 1 80 80 ALA HA H 237 4.336 4.336 4.361 -0.025 18244 1801 1 4 . 1 1 80 80 ALA C C 237 179.000 179.000 177.474 1.526 18244 1802 1 4 . 1 1 80 80 ALA CA C 237 52.800 52.800 51.896 0.904 18244 1803 1 4 . 1 1 80 80 ALA CB C 237 19.300 19.300 19.864 -0.565 18244 1804 1 4 . 1 1 80 80 ALA H H 237 8.237 8.237 8.229 0.008 18244 1805 1 5 . 1 1 2 2 ARG HA H 159 4.353 4.353 4.304 0.049 18244 1806 1 5 . 1 1 2 2 ARG C C 159 178.200 178.200 177.553 0.647 18244 1807 1 5 . 1 1 2 2 ARG CA C 159 56.300 56.300 57.683 -1.383 18244 1808 1 5 . 1 1 2 2 ARG CB C 159 30.900 30.900 30.577 0.323 18244 1809 1 5 . 1 1 3 3 ARG N N 160 123.623 123.623 118.885 4.738 18244 1810 1 5 . 1 1 3 3 ARG HA H 160 4.306 4.306 4.446 -0.140 18244 1811 1 5 . 1 1 3 3 ARG C C 160 178.000 178.000 176.294 1.706 18244 1812 1 5 . 1 1 3 3 ARG CA C 160 56.100 56.100 56.342 -0.242 18244 1813 1 5 . 1 1 3 3 ARG CB C 160 31.000 31.000 31.047 -0.047 18244 1814 1 5 . 1 1 3 3 ARG H H 160 8.558 8.558 8.112 0.446 18244 1815 1 5 . 1 1 4 4 GLN N N 161 122.962 122.962 118.781 4.181 18244 1816 1 5 . 1 1 4 4 GLN HA H 161 4.355 4.355 4.321 0.034 18244 1817 1 5 . 1 1 4 4 GLN C C 161 177.900 177.900 175.192 2.708 18244 1818 1 5 . 1 1 4 4 GLN CA C 161 55.500 55.500 55.740 -0.240 18244 1819 1 5 . 1 1 4 4 GLN CB C 161 29.600 29.600 29.414 0.186 18244 1820 1 5 . 1 1 4 4 GLN H H 161 8.515 8.515 8.097 0.418 18244 1821 1 5 . 1 1 5 5 LEU N N 162 124.755 124.755 118.426 6.329 18244 1822 1 5 . 1 1 5 5 LEU HA H 162 4.577 4.577 4.058 0.519 18244 1823 1 5 . 1 1 5 5 LEU C C 162 180.500 180.500 175.754 4.746 18244 1824 1 5 . 1 1 5 5 LEU CA C 162 54.700 54.700 54.371 0.329 18244 1825 1 5 . 1 1 5 5 LEU CB C 162 42.900 42.900 41.106 1.794 18244 1826 1 5 . 1 1 5 5 LEU H H 162 8.480 8.480 8.383 0.097 18244 1827 1 5 . 1 1 6 6 THR N N 163 114.727 114.727 113.330 1.397 18244 1828 1 5 . 1 1 6 6 THR HA H 163 4.596 4.596 4.617 -0.021 18244 1829 1 5 . 1 1 6 6 THR CA C 163 60.200 60.200 58.984 1.216 18244 1830 1 5 . 1 1 6 6 THR CB C 163 68.200 68.200 69.297 -1.097 18244 1831 1 5 . 1 1 6 6 THR H H 163 8.623 8.623 7.938 0.685 18244 1832 1 5 . 1 1 7 7 PRO HA H 164 4.263 4.263 4.153 0.110 18244 1833 1 5 . 1 1 7 7 PRO C C 164 181.600 181.600 178.998 2.602 18244 1834 1 5 . 1 1 7 7 PRO CA C 164 65.900 65.900 66.002 -0.102 18244 1835 1 5 . 1 1 7 7 PRO CB C 164 31.600 31.600 31.852 -0.252 18244 1836 1 5 . 1 1 8 8 GLN N N 165 116.429 116.429 115.416 1.013 18244 1837 1 5 . 1 1 8 8 GLN HA H 165 4.063 4.063 4.114 -0.051 18244 1838 1 5 . 1 1 8 8 GLN C C 165 181.300 181.300 178.044 3.256 18244 1839 1 5 . 1 1 8 8 GLN CA C 165 59.500 59.500 58.729 0.771 18244 1840 1 5 . 1 1 8 8 GLN CB C 165 28.300 28.300 28.152 0.148 18244 1841 1 5 . 1 1 8 8 GLN H H 165 8.439 8.439 8.733 -0.294 18244 1842 1 5 . 1 1 9 9 GLN N N 166 120.164 120.164 118.310 1.854 18244 1843 1 5 . 1 1 9 9 GLN HA H 166 3.948 3.948 4.174 -0.226 18244 1844 1 5 . 1 1 9 9 GLN C C 166 180.600 180.600 177.953 2.647 18244 1845 1 5 . 1 1 9 9 GLN CA C 166 58.700 58.700 58.360 0.340 18244 1846 1 5 . 1 1 9 9 GLN CB C 166 29.300 29.300 28.905 0.395 18244 1847 1 5 . 1 1 9 9 GLN H H 166 7.760 7.760 7.559 0.201 18244 1848 1 5 . 1 1 10 10 GLN N N 167 119.164 119.164 120.500 -1.336 18244 1849 1 5 . 1 1 10 10 GLN HA H 167 3.860 3.860 3.929 -0.069 18244 1850 1 5 . 1 1 10 10 GLN C C 167 180.300 180.300 178.598 1.702 18244 1851 1 5 . 1 1 10 10 GLN CA C 167 58.600 58.600 59.323 -0.723 18244 1852 1 5 . 1 1 10 10 GLN CB C 167 29.000 29.000 28.579 0.421 18244 1853 1 5 . 1 1 10 10 GLN H H 167 8.787 8.787 8.878 -0.091 18244 1854 1 5 . 1 1 11 11 GLN N N 168 118.139 118.139 116.829 1.310 18244 1855 1 5 . 1 1 11 11 GLN HA H 168 4.111 4.111 4.153 -0.042 18244 1856 1 5 . 1 1 11 11 GLN C C 168 180.600 180.600 178.488 2.112 18244 1857 1 5 . 1 1 11 11 GLN CA C 168 58.900 58.900 58.313 0.587 18244 1858 1 5 . 1 1 11 11 GLN CB C 168 28.500 28.500 28.780 -0.280 18244 1859 1 5 . 1 1 11 11 GLN H H 168 7.987 7.987 7.734 0.253 18244 1860 1 5 . 1 1 12 12 LEU N N 169 120.649 120.649 119.962 0.687 18244 1861 1 5 . 1 1 12 12 LEU HA H 169 4.138 4.138 4.252 -0.114 18244 1862 1 5 . 1 1 12 12 LEU C C 169 181.300 181.300 179.191 2.109 18244 1863 1 5 . 1 1 12 12 LEU CA C 169 58.100 58.100 57.500 0.600 18244 1864 1 5 . 1 1 12 12 LEU CB C 169 41.600 41.600 42.365 -0.765 18244 1865 1 5 . 1 1 12 12 LEU H H 169 7.457 7.457 7.814 -0.357 18244 1866 1 5 . 1 1 13 13 VAL N N 170 119.772 119.772 116.934 2.838 18244 1867 1 5 . 1 1 13 13 VAL HA H 170 3.570 3.570 3.707 -0.137 18244 1868 1 5 . 1 1 13 13 VAL C C 170 180.700 180.700 178.040 2.660 18244 1869 1 5 . 1 1 13 13 VAL CA C 170 66.700 66.700 65.636 1.064 18244 1870 1 5 . 1 1 13 13 VAL CB C 170 31.700 31.700 31.296 0.404 18244 1871 1 5 . 1 1 13 13 VAL H H 170 8.101 8.101 8.542 -0.441 18244 1872 1 5 . 1 1 14 14 ASN N N 171 118.278 118.278 117.471 0.807 18244 1873 1 5 . 1 1 14 14 ASN HA H 171 4.454 4.454 4.528 -0.074 18244 1874 1 5 . 1 1 14 14 ASN C C 171 180.800 180.800 177.385 3.415 18244 1875 1 5 . 1 1 14 14 ASN CA C 171 56.000 56.000 55.662 0.338 18244 1876 1 5 . 1 1 14 14 ASN CB C 171 37.600 37.600 38.456 -0.856 18244 1877 1 5 . 1 1 14 14 ASN H H 171 8.253 8.253 8.138 0.115 18244 1878 1 5 . 1 1 15 15 GLN N N 172 120.079 120.079 117.889 2.190 18244 1879 1 5 . 1 1 15 15 GLN HA H 172 4.152 4.152 4.231 -0.079 18244 1880 1 5 . 1 1 15 15 GLN C C 172 181.100 181.100 176.977 4.123 18244 1881 1 5 . 1 1 15 15 GLN CA C 172 58.600 58.600 56.623 1.977 18244 1882 1 5 . 1 1 15 15 GLN CB C 172 28.800 28.800 28.621 0.179 18244 1883 1 5 . 1 1 15 15 GLN H H 172 8.112 8.112 7.503 0.609 18244 1884 1 5 . 1 1 16 16 MET N N 173 118.323 118.323 117.908 0.415 18244 1885 1 5 . 1 1 16 16 MET HA H 173 4.266 4.266 4.485 -0.219 18244 1886 1 5 . 1 1 16 16 MET C C 173 180.300 180.300 176.120 4.180 18244 1887 1 5 . 1 1 16 16 MET CA C 173 57.300 57.300 54.428 2.873 18244 1888 1 5 . 1 1 16 16 MET CB C 173 31.400 31.400 31.627 -0.227 18244 1889 1 5 . 1 1 16 16 MET H H 173 8.371 8.371 7.542 0.829 18244 1890 1 5 . 1 1 17 17 LYS N N 174 117.179 117.179 119.717 -2.538 18244 1891 1 5 . 1 1 17 17 LYS HA H 174 4.450 4.450 4.325 0.125 18244 1892 1 5 . 1 1 17 17 LYS C C 174 178.400 178.400 177.164 1.236 18244 1893 1 5 . 1 1 17 17 LYS CA C 174 55.800 55.800 57.855 -2.055 18244 1894 1 5 . 1 1 17 17 LYS CB C 174 33.600 33.600 33.436 0.164 18244 1895 1 5 . 1 1 17 17 LYS H H 174 7.798 7.798 7.610 0.188 18244 1896 1 5 . 1 1 18 18 VAL N N 175 135.773 135.773 120.975 14.798 18244 1897 1 5 . 1 1 18 18 VAL HA H 175 4.674 4.674 4.259 0.415 18244 1898 1 5 . 1 1 18 18 VAL C C 175 177.700 177.700 174.589 3.111 18244 1899 1 5 . 1 1 18 18 VAL CA C 175 60.100 60.100 61.990 -1.890 18244 1900 1 5 . 1 1 18 18 VAL CB C 175 33.200 33.200 30.052 3.148 18244 1901 1 5 . 1 1 18 18 VAL H H 175 6.894 6.894 7.954 -1.060 18244 1902 1 5 . 1 1 19 19 ALA N N 176 127.267 127.267 131.504 -4.237 18244 1903 1 5 . 1 1 19 19 ALA HA H 176 4.653 4.653 4.933 -0.280 18244 1904 1 5 . 1 1 19 19 ALA CA C 176 50.200 50.200 49.561 0.639 18244 1905 1 5 . 1 1 19 19 ALA CB C 176 18.800 18.800 21.115 -2.315 18244 1906 1 5 . 1 1 19 19 ALA H H 176 7.508 7.508 8.006 -0.498 18244 1907 1 5 . 1 1 20 20 PRO HA H 177 4.439 4.439 5.102 -0.663 18244 1908 1 5 . 1 1 20 20 PRO C C 177 179.700 179.700 176.091 3.609 18244 1909 1 5 . 1 1 20 20 PRO CA C 177 62.900 62.900 61.740 1.160 18244 1910 1 5 . 1 1 20 20 PRO CB C 177 31.400 31.400 32.231 -0.831 18244 1911 1 5 . 1 1 21 21 ILE N N 178 128.957 128.957 123.869 5.088 18244 1912 1 5 . 1 1 21 21 ILE HA H 178 3.571 3.571 3.514 0.057 18244 1913 1 5 . 1 1 21 21 ILE CA C 178 59.700 59.700 59.961 -0.261 18244 1914 1 5 . 1 1 21 21 ILE CB C 178 39.300 39.300 37.042 2.258 18244 1915 1 5 . 1 1 21 21 ILE H H 178 8.659 8.659 8.112 0.547 18244 1916 1 5 . 1 1 22 22 PRO HA H 179 4.298 4.298 4.486 -0.188 18244 1917 1 5 . 1 1 22 22 PRO C C 179 180.600 180.600 177.058 3.542 18244 1918 1 5 . 1 1 22 22 PRO CA C 179 62.900 62.900 61.917 0.983 18244 1919 1 5 . 1 1 22 22 PRO CB C 179 32.600 32.600 32.570 0.030 18244 1920 1 5 . 1 1 23 23 LYS N N 180 126.052 126.052 121.101 4.951 18244 1921 1 5 . 1 1 23 23 LYS HA H 180 3.848 3.848 3.886 -0.038 18244 1922 1 5 . 1 1 23 23 LYS C C 180 180.300 180.300 178.995 1.305 18244 1923 1 5 . 1 1 23 23 LYS CA C 180 60.200 60.200 60.191 0.009 18244 1924 1 5 . 1 1 23 23 LYS CB C 180 32.400 32.400 32.122 0.278 18244 1925 1 5 . 1 1 23 23 LYS H H 180 8.871 8.871 8.556 0.315 18244 1926 1 5 . 1 1 24 24 GLN N N 181 115.658 115.658 117.242 -1.584 18244 1927 1 5 . 1 1 24 24 GLN HA H 181 4.102 4.102 4.081 0.021 18244 1928 1 5 . 1 1 24 24 GLN C C 181 179.000 179.000 178.455 0.545 18244 1929 1 5 . 1 1 24 24 GLN CA C 181 58.600 58.600 58.710 -0.110 18244 1930 1 5 . 1 1 24 24 GLN CB C 181 27.400 27.400 28.338 -0.938 18244 1931 1 5 . 1 1 24 24 GLN H H 181 9.038 9.038 8.408 0.630 18244 1932 1 5 . 1 1 25 25 LEU N N 182 117.088 117.088 120.398 -3.310 18244 1933 1 5 . 1 1 25 25 LEU HA H 182 4.231 4.231 4.210 0.021 18244 1934 1 5 . 1 1 25 25 LEU C C 182 180.300 180.300 178.736 1.564 18244 1935 1 5 . 1 1 25 25 LEU CA C 182 56.600 56.600 56.740 -0.141 18244 1936 1 5 . 1 1 25 25 LEU CB C 182 40.900 40.900 41.970 -1.070 18244 1937 1 5 . 1 1 25 25 LEU H H 182 7.309 7.309 7.504 -0.195 18244 1938 1 5 . 1 1 26 26 LEU N N 183 120.917 120.917 119.563 1.354 18244 1939 1 5 . 1 1 26 26 LEU HA H 183 3.699 3.699 3.874 -0.175 18244 1940 1 5 . 1 1 26 26 LEU C C 183 181.300 181.300 178.211 3.089 18244 1941 1 5 . 1 1 26 26 LEU CA C 183 57.900 57.900 57.148 0.753 18244 1942 1 5 . 1 1 26 26 LEU CB C 183 42.400 42.400 41.045 1.355 18244 1943 1 5 . 1 1 26 26 LEU H H 183 7.842 7.842 7.820 0.022 18244 1944 1 5 . 1 1 27 27 GLN N N 184 112.112 112.112 116.760 -4.648 18244 1945 1 5 . 1 1 27 27 GLN HA H 184 4.082 4.082 4.071 0.011 18244 1946 1 5 . 1 1 27 27 GLN C C 184 178.800 178.800 177.862 0.938 18244 1947 1 5 . 1 1 27 27 GLN CA C 184 57.300 57.300 57.974 -0.674 18244 1948 1 5 . 1 1 27 27 GLN CB C 184 28.500 28.500 28.382 0.118 18244 1949 1 5 . 1 1 27 27 GLN H H 184 7.505 7.505 7.794 -0.289 18244 1950 1 5 . 1 1 28 28 ARG N N 185 116.659 116.659 117.640 -0.981 18244 1951 1 5 . 1 1 28 28 ARG HA H 185 4.187 4.187 4.239 -0.052 18244 1952 1 5 . 1 1 28 28 ARG C C 185 177.900 177.900 175.740 2.160 18244 1953 1 5 . 1 1 28 28 ARG CA C 185 56.600 56.600 57.899 -1.299 18244 1954 1 5 . 1 1 28 28 ARG CB C 185 30.700 30.700 31.330 -0.630 18244 1955 1 5 . 1 1 28 28 ARG H H 185 7.488 7.488 7.725 -0.237 18244 1956 1 5 . 1 1 29 29 ILE N N 186 121.078 121.078 112.823 8.255 18244 1957 1 5 . 1 1 29 29 ILE HA H 186 4.352 4.352 4.588 -0.236 18244 1958 1 5 . 1 1 29 29 ILE CA C 186 59.300 59.300 57.695 1.605 18244 1959 1 5 . 1 1 29 29 ILE CB C 186 37.800 37.800 38.064 -0.264 18244 1960 1 5 . 1 1 29 29 ILE H H 186 7.630 7.630 7.078 0.552 18244 1961 1 5 . 1 1 30 30 PRO HA H 187 4.256 4.256 4.667 -0.411 18244 1962 1 5 . 1 1 30 30 PRO C C 187 178.500 178.500 176.598 1.902 18244 1963 1 5 . 1 1 30 30 PRO CA C 187 64.100 64.100 61.732 2.368 18244 1964 1 5 . 1 1 30 30 PRO CB C 187 32.400 32.400 32.649 -0.249 18244 1965 1 5 . 1 1 31 31 ASN N N 188 110.335 110.335 116.887 -6.552 18244 1966 1 5 . 1 1 31 31 ASN HA H 188 4.398 4.398 4.424 -0.026 18244 1967 1 5 . 1 1 31 31 ASN C C 188 177.500 177.500 174.359 3.141 18244 1968 1 5 . 1 1 31 31 ASN CA C 188 54.400 54.400 53.821 0.579 18244 1969 1 5 . 1 1 31 31 ASN CB C 188 37.700 37.700 37.319 0.381 18244 1970 1 5 . 1 1 31 31 ASN H H 188 8.464 8.464 8.631 -0.167 18244 1971 1 5 . 1 1 32 32 ILE N N 189 117.608 117.608 114.143 3.465 18244 1972 1 5 . 1 1 32 32 ILE HA H 189 4.416 4.416 4.592 -0.176 18244 1973 1 5 . 1 1 32 32 ILE CA C 189 58.100 58.100 58.549 -0.449 18244 1974 1 5 . 1 1 32 32 ILE CB C 189 38.600 38.600 37.716 0.884 18244 1975 1 5 . 1 1 32 32 ILE H H 189 7.325 7.325 7.904 -0.579 18244 1976 1 5 . 1 1 33 33 PRO HA H 190 4.749 4.749 4.351 0.398 18244 1977 1 5 . 1 1 33 33 PRO CA C 190 61.700 61.700 65.059 -3.360 18244 1978 1 5 . 1 1 33 33 PRO CB C 190 31.000 31.000 30.398 0.602 18244 1979 1 5 . 1 1 34 34 PRO HA H 191 4.391 4.391 4.347 0.044 18244 1980 1 5 . 1 1 34 34 PRO C C 191 178.600 178.600 176.396 2.204 18244 1981 1 5 . 1 1 34 34 PRO CA C 191 63.700 63.700 63.530 0.170 18244 1982 1 5 . 1 1 34 34 PRO CB C 191 32.000 32.000 31.950 0.050 18244 1983 1 5 . 1 1 35 35 ASN N N 192 112.827 112.827 115.949 -3.122 18244 1984 1 5 . 1 1 35 35 ASN HA H 192 4.456 4.456 4.495 -0.039 18244 1985 1 5 . 1 1 35 35 ASN C C 192 176.500 176.500 174.315 2.185 18244 1986 1 5 . 1 1 35 35 ASN CA C 192 53.700 53.700 53.780 -0.080 18244 1987 1 5 . 1 1 35 35 ASN CB C 192 37.300 37.300 38.011 -0.711 18244 1988 1 5 . 1 1 35 35 ASN H H 192 8.256 8.256 8.362 -0.106 18244 1989 1 5 . 1 1 36 36 ILE N N 193 119.133 119.133 117.390 1.743 18244 1990 1 5 . 1 1 36 36 ILE HA H 193 4.144 4.144 4.213 -0.069 18244 1991 1 5 . 1 1 36 36 ILE C C 193 177.200 177.200 174.578 2.622 18244 1992 1 5 . 1 1 36 36 ILE CA C 193 59.100 59.100 59.799 -0.699 18244 1993 1 5 . 1 1 36 36 ILE CB C 193 37.000 37.000 38.814 -1.814 18244 1994 1 5 . 1 1 36 36 ILE H H 193 7.166 7.166 7.602 -0.436 18244 1995 1 5 . 1 1 37 37 ASN N N 194 121.068 121.068 118.996 2.072 18244 1996 1 5 . 1 1 37 37 ASN HA H 194 4.667 4.667 4.716 -0.049 18244 1997 1 5 . 1 1 37 37 ASN C C 194 175.600 175.600 174.618 0.982 18244 1998 1 5 . 1 1 37 37 ASN CA C 194 53.400 53.400 54.013 -0.613 18244 1999 1 5 . 1 1 37 37 ASN CB C 194 40.400 40.400 39.515 0.885 18244 2000 1 5 . 1 1 37 37 ASN H H 194 8.764 8.764 8.480 0.284 18244 2001 1 5 . 1 1 38 38 THR N N 195 106.795 106.795 113.093 -6.298 18244 2002 1 5 . 1 1 38 38 THR HA H 195 4.924 4.924 4.446 0.478 18244 2003 1 5 . 1 1 38 38 THR C C 195 178.000 178.000 175.392 2.608 18244 2004 1 5 . 1 1 38 38 THR CA C 195 58.800 58.800 62.276 -3.476 18244 2005 1 5 . 1 1 38 38 THR CB C 195 73.500 73.500 68.492 5.008 18244 2006 1 5 . 1 1 38 38 THR H H 195 7.527 7.527 7.875 -0.348 18244 2007 1 5 . 1 1 39 39 TRP N N 196 123.744 123.744 127.768 -4.024 18244 2008 1 5 . 1 1 39 39 TRP HA H 196 4.533 4.533 4.237 0.296 18244 2009 1 5 . 1 1 39 39 TRP C C 196 182.300 182.300 178.561 3.739 18244 2010 1 5 . 1 1 39 39 TRP CA C 196 60.100 60.100 61.585 -1.485 18244 2011 1 5 . 1 1 39 39 TRP CB C 196 29.400 29.400 29.576 -0.176 18244 2012 1 5 . 1 1 39 39 TRP H H 196 10.363 10.363 8.722 1.641 18244 2013 1 5 . 1 1 40 40 GLN N N 197 120.207 120.207 116.582 3.625 18244 2014 1 5 . 1 1 40 40 GLN HA H 197 4.268 4.268 4.096 0.172 18244 2015 1 5 . 1 1 40 40 GLN C C 197 180.900 180.900 178.078 2.822 18244 2016 1 5 . 1 1 40 40 GLN CA C 197 59.500 59.500 58.910 0.591 18244 2017 1 5 . 1 1 40 40 GLN CB C 197 28.500 28.500 28.475 0.025 18244 2018 1 5 . 1 1 40 40 GLN H H 197 8.550 8.550 8.396 0.154 18244 2019 1 5 . 1 1 41 41 GLN N N 198 118.163 118.163 116.756 1.407 18244 2020 1 5 . 1 1 41 41 GLN HA H 198 4.191 4.191 4.292 -0.101 18244 2021 1 5 . 1 1 41 41 GLN C C 198 181.500 181.500 177.842 3.658 18244 2022 1 5 . 1 1 41 41 GLN CA C 198 58.500 58.500 57.552 0.948 18244 2023 1 5 . 1 1 41 41 GLN CB C 198 30.400 30.400 29.471 0.929 18244 2024 1 5 . 1 1 41 41 GLN H H 198 7.594 7.594 7.720 -0.126 18244 2025 1 5 . 1 1 42 42 VAL N N 199 121.112 121.112 119.180 1.932 18244 2026 1 5 . 1 1 42 42 VAL HA H 199 3.479 3.479 3.856 -0.377 18244 2027 1 5 . 1 1 42 42 VAL C C 199 180.000 180.000 178.386 1.614 18244 2028 1 5 . 1 1 42 42 VAL CA C 199 67.500 67.500 65.670 1.830 18244 2029 1 5 . 1 1 42 42 VAL CB C 199 32.000 32.000 32.033 -0.033 18244 2030 1 5 . 1 1 42 42 VAL H H 199 8.116 8.116 8.181 -0.065 18244 2031 1 5 . 1 1 43 43 THR N N 200 113.870 113.870 115.020 -1.150 18244 2032 1 5 . 1 1 43 43 THR HA H 200 3.904 3.904 4.225 -0.321 18244 2033 1 5 . 1 1 43 43 THR C C 200 178.900 178.900 175.891 3.009 18244 2034 1 5 . 1 1 43 43 THR CA C 200 67.000 67.000 65.965 1.035 18244 2035 1 5 . 1 1 43 43 THR CB C 200 68.500 68.500 68.162 0.338 18244 2036 1 5 . 1 1 43 43 THR H H 200 8.726 8.726 8.769 -0.043 18244 2037 1 5 . 1 1 44 44 ALA N N 201 124.369 124.369 124.343 0.026 18244 2038 1 5 . 1 1 44 44 ALA HA H 201 4.280 4.280 4.193 0.087 18244 2039 1 5 . 1 1 44 44 ALA C C 201 182.700 182.700 179.094 3.606 18244 2040 1 5 . 1 1 44 44 ALA CA C 201 55.500 55.500 54.269 1.231 18244 2041 1 5 . 1 1 44 44 ALA CB C 201 17.900 17.900 17.813 0.087 18244 2042 1 5 . 1 1 44 44 ALA H H 201 7.539 7.539 8.007 -0.468 18244 2043 1 5 . 1 1 45 45 LEU N N 202 117.896 117.896 119.222 -1.326 18244 2044 1 5 . 1 1 45 45 LEU HA H 202 4.068 4.068 3.849 0.219 18244 2045 1 5 . 1 1 45 45 LEU C C 202 182.200 182.200 178.419 3.781 18244 2046 1 5 . 1 1 45 45 LEU CA C 202 58.100 58.100 57.966 0.134 18244 2047 1 5 . 1 1 45 45 LEU CB C 202 41.800 41.800 41.733 0.067 18244 2048 1 5 . 1 1 45 45 LEU H H 202 7.716 7.716 7.886 -0.170 18244 2049 1 5 . 1 1 46 46 ALA N N 203 121.746 121.746 118.968 2.778 18244 2050 1 5 . 1 1 46 46 ALA HA H 203 4.184 4.184 4.147 0.037 18244 2051 1 5 . 1 1 46 46 ALA C C 203 184.300 184.300 180.240 4.060 18244 2052 1 5 . 1 1 46 46 ALA CA C 203 55.400 55.400 54.376 1.024 18244 2053 1 5 . 1 1 46 46 ALA CB C 203 18.100 18.100 18.480 -0.380 18244 2054 1 5 . 1 1 46 46 ALA H H 203 8.117 8.117 7.626 0.491 18244 2055 1 5 . 1 1 47 47 GLN N N 204 120.247 120.247 117.777 2.470 18244 2056 1 5 . 1 1 47 47 GLN HA H 204 4.088 4.088 4.077 0.011 18244 2057 1 5 . 1 1 47 47 GLN C C 204 180.100 180.100 177.942 2.158 18244 2058 1 5 . 1 1 47 47 GLN CA C 204 58.900 58.900 58.503 0.397 18244 2059 1 5 . 1 1 47 47 GLN CB C 204 28.500 28.500 28.532 -0.032 18244 2060 1 5 . 1 1 47 47 GLN H H 204 8.515 8.515 8.087 0.428 18244 2061 1 5 . 1 1 48 48 GLN N N 205 116.167 116.167 115.864 0.303 18244 2062 1 5 . 1 1 48 48 GLN HA H 205 4.290 4.290 4.366 -0.076 18244 2063 1 5 . 1 1 48 48 GLN C C 205 176.700 176.700 175.427 1.273 18244 2064 1 5 . 1 1 48 48 GLN CA C 205 55.900 55.900 54.989 0.911 18244 2065 1 5 . 1 1 48 48 GLN CB C 205 30.000 30.000 28.843 1.157 18244 2066 1 5 . 1 1 48 48 GLN H H 205 7.534 7.534 7.808 -0.274 18244 2067 1 5 . 1 1 49 49 LYS N N 206 113.354 113.354 115.734 -2.380 18244 2068 1 5 . 1 1 49 49 LYS HA H 206 4.118 4.118 4.034 0.084 18244 2069 1 5 . 1 1 49 49 LYS C C 206 178.700 178.700 176.281 2.419 18244 2070 1 5 . 1 1 49 49 LYS CA C 206 57.500 57.500 57.386 0.114 18244 2071 1 5 . 1 1 49 49 LYS CB C 206 28.300 28.300 29.476 -1.175 18244 2072 1 5 . 1 1 49 49 LYS H H 206 7.957 7.957 7.871 0.086 18244 2073 1 5 . 1 1 50 50 LEU N N 207 116.944 116.944 116.252 0.692 18244 2074 1 5 . 1 1 50 50 LEU HA H 207 4.423 4.423 4.378 0.045 18244 2075 1 5 . 1 1 50 50 LEU C C 207 180.000 180.000 176.961 3.039 18244 2076 1 5 . 1 1 50 50 LEU CA C 207 55.300 55.300 55.483 -0.183 18244 2077 1 5 . 1 1 50 50 LEU CB C 207 42.500 42.500 42.978 -0.478 18244 2078 1 5 . 1 1 50 50 LEU H H 207 8.016 8.016 8.311 -0.295 18244 2079 1 5 . 1 1 51 51 LEU N N 208 117.793 117.793 121.311 -3.518 18244 2080 1 5 . 1 1 51 51 LEU HA H 208 4.922 4.922 4.244 0.678 18244 2081 1 5 . 1 1 51 51 LEU C C 208 179.000 179.000 176.777 2.223 18244 2082 1 5 . 1 1 51 51 LEU CA C 208 53.400 53.400 54.804 -1.404 18244 2083 1 5 . 1 1 51 51 LEU CB C 208 44.500 44.500 42.452 2.048 18244 2084 1 5 . 1 1 51 51 LEU H H 208 7.109 7.109 7.545 -0.436 18244 2085 1 5 . 1 1 52 52 THR N N 209 115.695 115.695 118.334 -2.639 18244 2086 1 5 . 1 1 52 52 THR HA H 209 4.623 4.623 4.832 -0.209 18244 2087 1 5 . 1 1 52 52 THR CA C 209 60.700 60.700 59.184 1.516 18244 2088 1 5 . 1 1 52 52 THR CB C 209 69.000 69.000 69.234 -0.234 18244 2089 1 5 . 1 1 52 52 THR H H 209 9.460 9.460 8.744 0.716 18244 2090 1 5 . 1 1 53 53 PRO HA H 210 4.275 4.275 4.262 0.013 18244 2091 1 5 . 1 1 53 53 PRO C C 210 181.700 181.700 178.375 3.325 18244 2092 1 5 . 1 1 53 53 PRO CA C 210 66.000 66.000 65.190 0.810 18244 2093 1 5 . 1 1 53 53 PRO CB C 210 31.600 31.600 31.619 -0.019 18244 2094 1 5 . 1 1 54 54 GLN N N 211 116.837 116.837 117.054 -0.217 18244 2095 1 5 . 1 1 54 54 GLN HA H 211 4.119 4.119 4.140 -0.021 18244 2096 1 5 . 1 1 54 54 GLN C C 211 181.500 181.500 177.593 3.907 18244 2097 1 5 . 1 1 54 54 GLN CA C 211 59.800 59.800 58.711 1.089 18244 2098 1 5 . 1 1 54 54 GLN CB C 211 28.100 28.100 28.729 -0.629 18244 2099 1 5 . 1 1 54 54 GLN H H 211 8.229 8.229 7.818 0.411 18244 2100 1 5 . 1 1 55 55 ASP N N 212 123.621 123.621 120.410 3.211 18244 2101 1 5 . 1 1 55 55 ASP HA H 212 4.353 4.353 4.487 -0.134 18244 2102 1 5 . 1 1 55 55 ASP C C 212 181.100 181.100 178.245 2.855 18244 2103 1 5 . 1 1 55 55 ASP CA C 212 57.900 57.900 56.830 1.070 18244 2104 1 5 . 1 1 55 55 ASP CB C 212 41.700 41.700 40.747 0.953 18244 2105 1 5 . 1 1 55 55 ASP H H 212 7.957 7.957 7.511 0.446 18244 2106 1 5 . 1 1 56 56 MET N N 213 117.263 117.263 119.453 -2.190 18244 2107 1 5 . 1 1 56 56 MET HA H 213 4.380 4.380 4.094 0.286 18244 2108 1 5 . 1 1 56 56 MET C C 213 181.000 181.000 178.548 2.452 18244 2109 1 5 . 1 1 56 56 MET CA C 213 57.100 57.100 58.657 -1.557 18244 2110 1 5 . 1 1 56 56 MET CB C 213 31.200 31.200 32.086 -0.886 18244 2111 1 5 . 1 1 56 56 MET H H 213 8.314 8.314 8.375 -0.061 18244 2112 1 5 . 1 1 57 57 GLU N N 214 120.570 120.570 117.140 3.430 18244 2113 1 5 . 1 1 57 57 GLU HA H 214 4.085 4.085 4.126 -0.041 18244 2114 1 5 . 1 1 57 57 GLU C C 214 181.700 181.700 178.785 2.915 18244 2115 1 5 . 1 1 57 57 GLU CA C 214 59.500 59.500 58.749 0.750 18244 2116 1 5 . 1 1 57 57 GLU CB C 214 29.300 29.300 29.381 -0.081 18244 2117 1 5 . 1 1 57 57 GLU H H 214 8.039 8.039 7.859 0.180 18244 2118 1 5 . 1 1 58 58 ALA N N 215 121.915 121.915 122.006 -0.091 18244 2119 1 5 . 1 1 58 58 ALA HA H 215 4.361 4.361 4.246 0.115 18244 2120 1 5 . 1 1 58 58 ALA C C 215 182.800 182.800 179.196 3.604 18244 2121 1 5 . 1 1 58 58 ALA CA C 215 55.100 55.100 54.608 0.492 18244 2122 1 5 . 1 1 58 58 ALA CB C 215 18.500 18.500 18.570 -0.070 18244 2123 1 5 . 1 1 58 58 ALA H H 215 7.571 7.571 7.298 0.273 18244 2124 1 5 . 1 1 59 59 ALA N N 216 120.749 120.749 120.528 0.221 18244 2125 1 5 . 1 1 59 59 ALA HA H 216 4.137 4.137 4.071 0.066 18244 2126 1 5 . 1 1 59 59 ALA C C 216 180.800 180.800 179.267 1.533 18244 2127 1 5 . 1 1 59 59 ALA CA C 216 55.700 55.700 54.804 0.895 18244 2128 1 5 . 1 1 59 59 ALA CB C 216 18.100 18.100 18.433 -0.333 18244 2129 1 5 . 1 1 59 59 ALA H H 216 8.728 8.728 8.496 0.232 18244 2130 1 5 . 1 1 60 60 LYS N N 217 117.415 117.415 118.594 -1.179 18244 2131 1 5 . 1 1 60 60 LYS HA H 217 3.700 3.700 3.984 -0.284 18244 2132 1 5 . 1 1 60 60 LYS C C 217 181.300 181.300 179.248 2.052 18244 2133 1 5 . 1 1 60 60 LYS CA C 217 60.200 60.200 59.871 0.329 18244 2134 1 5 . 1 1 60 60 LYS CB C 217 32.600 32.600 32.198 0.402 18244 2135 1 5 . 1 1 60 60 LYS H H 217 8.292 8.292 7.706 0.586 18244 2136 1 5 . 1 1 61 61 GLN N N 218 118.499 118.499 118.888 -0.389 18244 2137 1 5 . 1 1 61 61 GLN HA H 218 4.171 4.171 4.138 0.033 18244 2138 1 5 . 1 1 61 61 GLN C C 218 181.500 181.500 178.444 3.056 18244 2139 1 5 . 1 1 61 61 GLN CA C 218 59.200 59.200 58.822 0.378 18244 2140 1 5 . 1 1 61 61 GLN CB C 218 29.400 29.400 28.756 0.644 18244 2141 1 5 . 1 1 61 61 GLN H H 218 7.401 7.401 7.613 -0.212 18244 2142 1 5 . 1 1 62 62 VAL N N 219 119.685 119.685 120.191 -0.506 18244 2143 1 5 . 1 1 62 62 VAL HA H 219 3.746 3.746 3.734 0.012 18244 2144 1 5 . 1 1 62 62 VAL C C 219 179.400 179.400 178.070 1.330 18244 2145 1 5 . 1 1 62 62 VAL CA C 219 66.800 66.800 66.424 0.376 18244 2146 1 5 . 1 1 62 62 VAL CB C 219 31.900 31.900 31.110 0.790 18244 2147 1 5 . 1 1 62 62 VAL H H 219 8.036 8.036 7.677 0.359 18244 2148 1 5 . 1 1 63 63 TYR N N 220 123.794 123.794 120.805 2.989 18244 2149 1 5 . 1 1 63 63 TYR HA H 220 3.725 3.725 4.334 -0.609 18244 2150 1 5 . 1 1 63 63 TYR C C 220 179.300 179.300 177.746 1.554 18244 2151 1 5 . 1 1 63 63 TYR CA C 220 62.200 62.200 62.354 -0.154 18244 2152 1 5 . 1 1 63 63 TYR CB C 220 38.000 38.000 38.219 -0.219 18244 2153 1 5 . 1 1 63 63 TYR H H 220 8.802 8.802 8.573 0.229 18244 2154 1 5 . 1 1 64 64 LYS N N 221 117.772 117.772 117.846 -0.074 18244 2155 1 5 . 1 1 64 64 LYS HA H 221 3.864 3.864 3.891 -0.027 18244 2156 1 5 . 1 1 64 64 LYS C C 221 181.700 181.700 178.993 2.707 18244 2157 1 5 . 1 1 64 64 LYS CA C 221 59.800 59.800 59.475 0.325 18244 2158 1 5 . 1 1 64 64 LYS CB C 221 32.200 32.200 32.379 -0.179 18244 2159 1 5 . 1 1 64 64 LYS H H 221 7.452 7.452 7.609 -0.157 18244 2160 1 5 . 1 1 65 65 ILE N N 222 119.985 119.985 120.160 -0.175 18244 2161 1 5 . 1 1 65 65 ILE HA H 222 3.757 3.757 3.703 0.054 18244 2162 1 5 . 1 1 65 65 ILE C C 222 180.700 180.700 177.714 2.986 18244 2163 1 5 . 1 1 65 65 ILE CA C 222 65.000 65.000 65.411 -0.411 18244 2164 1 5 . 1 1 65 65 ILE CB C 222 38.200 38.200 38.234 -0.034 18244 2165 1 5 . 1 1 65 65 ILE H H 222 7.673 7.673 7.968 -0.295 18244 2166 1 5 . 1 1 66 66 HIS N N 223 121.506 121.506 119.547 1.959 18244 2167 1 5 . 1 1 66 66 HIS HA H 223 4.343 4.343 4.175 0.168 18244 2168 1 5 . 1 1 66 66 HIS C C 223 179.400 179.400 177.312 2.088 18244 2169 1 5 . 1 1 66 66 HIS CA C 223 57.500 57.500 59.207 -1.707 18244 2170 1 5 . 1 1 66 66 HIS CB C 223 32.800 32.800 30.466 2.334 18244 2171 1 5 . 1 1 66 66 HIS H H 223 8.943 8.943 8.608 0.335 18244 2172 1 5 . 1 1 67 67 GLN N N 224 117.421 117.421 117.968 -0.547 18244 2173 1 5 . 1 1 67 67 GLN HA H 224 3.720 3.720 3.795 -0.075 18244 2174 1 5 . 1 1 67 67 GLN C C 224 180.200 180.200 178.252 1.948 18244 2175 1 5 . 1 1 67 67 GLN CA C 224 59.800 59.800 59.248 0.552 18244 2176 1 5 . 1 1 67 67 GLN CB C 224 29.500 29.500 28.279 1.221 18244 2177 1 5 . 1 1 67 67 GLN H H 224 8.526 8.526 7.849 0.677 18244 2178 1 5 . 1 1 68 68 GLN N N 225 117.385 117.385 118.780 -1.395 18244 2179 1 5 . 1 1 68 68 GLN HA H 225 4.017 4.017 4.126 -0.109 18244 2180 1 5 . 1 1 68 68 GLN C C 225 181.100 181.100 178.411 2.689 18244 2181 1 5 . 1 1 68 68 GLN CA C 225 59.200 59.200 58.284 0.916 18244 2182 1 5 . 1 1 68 68 GLN CB C 225 28.400 28.400 28.590 -0.190 18244 2183 1 5 . 1 1 68 68 GLN H H 225 7.673 7.673 7.461 0.212 18244 2184 1 5 . 1 1 69 69 LEU N N 226 120.608 120.608 121.899 -1.291 18244 2185 1 5 . 1 1 69 69 LEU HA H 226 4.126 4.126 4.128 -0.002 18244 2186 1 5 . 1 1 69 69 LEU C C 226 182.700 182.700 178.523 4.177 18244 2187 1 5 . 1 1 69 69 LEU CA C 226 58.200 58.200 58.058 0.142 18244 2188 1 5 . 1 1 69 69 LEU CB C 226 42.000 42.000 42.107 -0.107 18244 2189 1 5 . 1 1 69 69 LEU H H 226 8.227 8.227 7.467 0.760 18244 2190 1 5 . 1 1 70 70 LEU N N 227 120.607 120.607 118.612 1.995 18244 2191 1 5 . 1 1 70 70 LEU HA H 227 4.108 4.108 3.880 0.228 18244 2192 1 5 . 1 1 70 70 LEU C C 227 181.900 181.900 179.031 2.869 18244 2193 1 5 . 1 1 70 70 LEU CA C 227 57.700 57.700 57.659 0.041 18244 2194 1 5 . 1 1 70 70 LEU CB C 227 41.900 41.900 41.387 0.513 18244 2195 1 5 . 1 1 70 70 LEU H H 227 8.273 8.273 8.101 0.172 18244 2196 1 5 . 1 1 71 71 PHE N N 228 119.975 119.975 119.330 0.645 18244 2197 1 5 . 1 1 71 71 PHE HA H 228 4.315 4.315 4.084 0.231 18244 2198 1 5 . 1 1 71 71 PHE C C 228 180.100 180.100 176.757 3.343 18244 2199 1 5 . 1 1 71 71 PHE CA C 228 60.200 60.200 62.003 -1.803 18244 2200 1 5 . 1 1 71 71 PHE CB C 228 39.000 39.000 39.045 -0.045 18244 2201 1 5 . 1 1 71 71 PHE H H 228 8.469 8.469 7.574 0.895 18244 2202 1 5 . 1 1 72 72 LYS N N 229 119.148 119.148 118.078 1.070 18244 2203 1 5 . 1 1 72 72 LYS HA H 229 4.012 4.012 3.903 0.109 18244 2204 1 5 . 1 1 72 72 LYS C C 229 180.400 180.400 178.510 1.890 18244 2205 1 5 . 1 1 72 72 LYS CA C 229 58.800 58.800 59.253 -0.453 18244 2206 1 5 . 1 1 72 72 LYS CB C 229 32.300 32.300 32.022 0.278 18244 2207 1 5 . 1 1 72 72 LYS H H 229 8.143 8.143 7.562 0.581 18244 2208 1 5 . 1 1 73 73 ALA N N 230 121.483 121.483 121.475 0.008 18244 2209 1 5 . 1 1 73 73 ALA HA H 230 4.224 4.224 4.143 0.081 18244 2210 1 5 . 1 1 73 73 ALA C C 230 181.600 181.600 178.990 2.610 18244 2211 1 5 . 1 1 73 73 ALA CA C 230 54.200 54.200 54.513 -0.313 18244 2212 1 5 . 1 1 73 73 ALA CB C 230 18.500 18.500 18.289 0.211 18244 2213 1 5 . 1 1 73 73 ALA H H 230 7.886 7.886 7.665 0.221 18244 2214 1 5 . 1 1 74 74 ARG N N 231 118.073 118.073 117.109 0.964 18244 2215 1 5 . 1 1 74 74 ARG HA H 231 4.189 4.189 4.110 0.079 18244 2216 1 5 . 1 1 74 74 ARG C C 231 179.900 179.900 177.520 2.380 18244 2217 1 5 . 1 1 74 74 ARG CA C 231 57.600 57.600 57.708 -0.108 18244 2218 1 5 . 1 1 74 74 ARG CB C 231 30.100 30.100 30.294 -0.194 18244 2219 1 5 . 1 1 74 74 ARG H H 231 7.849 7.849 7.441 0.408 18244 2220 1 5 . 1 1 75 75 LEU N N 232 120.575 120.575 118.398 2.177 18244 2221 1 5 . 1 1 75 75 LEU HA H 232 4.181 4.181 4.055 0.126 18244 2222 1 5 . 1 1 75 75 LEU C C 232 180.600 180.600 176.890 3.710 18244 2223 1 5 . 1 1 75 75 LEU CA C 232 56.400 56.400 55.382 1.018 18244 2224 1 5 . 1 1 75 75 LEU CB C 232 42.000 42.000 42.236 -0.236 18244 2225 1 5 . 1 1 75 75 LEU H H 232 7.847 7.847 7.024 0.823 18244 2226 1 5 . 1 1 76 76 GLN N N 233 118.890 118.890 115.348 3.542 18244 2227 1 5 . 1 1 76 76 GLN HA H 233 4.220 4.220 3.980 0.240 18244 2228 1 5 . 1 1 76 76 GLN C C 233 179.100 179.100 175.496 3.604 18244 2229 1 5 . 1 1 76 76 GLN CA C 233 56.900 56.900 56.187 0.713 18244 2230 1 5 . 1 1 76 76 GLN CB C 233 29.000 29.000 27.468 1.532 18244 2231 1 5 . 1 1 76 76 GLN H H 233 8.008 8.008 7.637 0.371 18244 2232 1 5 . 1 1 77 77 GLN N N 234 119.836 119.836 119.750 0.086 18244 2233 1 5 . 1 1 77 77 GLN HA H 234 4.263 4.263 4.246 0.017 18244 2234 1 5 . 1 1 77 77 GLN C C 234 178.700 178.700 176.010 2.690 18244 2235 1 5 . 1 1 77 77 GLN CA C 234 56.700 56.700 56.517 0.183 18244 2236 1 5 . 1 1 77 77 GLN CB C 234 29.100 29.100 29.102 -0.002 18244 2237 1 5 . 1 1 77 77 GLN H H 234 8.078 8.078 8.568 -0.490 18244 2238 1 5 . 1 1 78 78 GLN N N 235 120.341 120.341 117.963 2.378 18244 2239 1 5 . 1 1 78 78 GLN HA H 235 4.288 4.288 4.547 -0.259 18244 2240 1 5 . 1 1 78 78 GLN C C 235 178.400 178.400 174.862 3.538 18244 2241 1 5 . 1 1 78 78 GLN CA C 235 56.400 56.400 55.534 0.866 18244 2242 1 5 . 1 1 78 78 GLN CB C 235 29.300 29.300 27.942 1.358 18244 2243 1 5 . 1 1 78 78 GLN H H 235 8.226 8.226 8.033 0.193 18244 2244 1 5 . 1 1 79 79 GLN N N 236 120.708 120.708 120.867 -0.159 18244 2245 1 5 . 1 1 79 79 GLN HA H 236 4.316 4.316 4.455 -0.139 18244 2246 1 5 . 1 1 79 79 GLN C C 236 177.800 177.800 176.069 1.731 18244 2247 1 5 . 1 1 79 79 GLN CA C 236 55.900 55.900 55.742 0.158 18244 2248 1 5 . 1 1 79 79 GLN CB C 236 29.500 29.500 30.140 -0.640 18244 2249 1 5 . 1 1 79 79 GLN H H 236 8.253 8.253 8.178 0.075 18244 2250 1 5 . 1 1 80 80 ALA N N 237 125.698 125.698 125.564 0.134 18244 2251 1 5 . 1 1 80 80 ALA HA H 237 4.336 4.336 4.397 -0.061 18244 2252 1 5 . 1 1 80 80 ALA C C 237 179.000 179.000 177.715 1.285 18244 2253 1 5 . 1 1 80 80 ALA CA C 237 52.800 52.800 52.281 0.519 18244 2254 1 5 . 1 1 80 80 ALA CB C 237 19.300 19.300 19.033 0.267 18244 2255 1 5 . 1 1 80 80 ALA H H 237 8.237 8.237 8.478 -0.241 18244 2256 1 6 . 1 1 2 2 ARG HA H 159 4.353 4.353 4.623 -0.270 18244 2257 1 6 . 1 1 2 2 ARG C C 159 178.200 178.200 175.213 2.987 18244 2258 1 6 . 1 1 2 2 ARG CA C 159 56.300 56.300 56.306 -0.006 18244 2259 1 6 . 1 1 2 2 ARG CB C 159 30.900 30.900 31.102 -0.202 18244 2260 1 6 . 1 1 3 3 ARG N N 160 123.623 123.623 123.756 -0.133 18244 2261 1 6 . 1 1 3 3 ARG HA H 160 4.306 4.306 4.509 -0.203 18244 2262 1 6 . 1 1 3 3 ARG C C 160 178.000 178.000 175.237 2.763 18244 2263 1 6 . 1 1 3 3 ARG CA C 160 56.100 56.100 56.202 -0.102 18244 2264 1 6 . 1 1 3 3 ARG CB C 160 31.000 31.000 30.784 0.216 18244 2265 1 6 . 1 1 3 3 ARG H H 160 8.558 8.558 8.453 0.105 18244 2266 1 6 . 1 1 4 4 GLN N N 161 122.962 122.962 122.234 0.728 18244 2267 1 6 . 1 1 4 4 GLN HA H 161 4.355 4.355 4.479 -0.124 18244 2268 1 6 . 1 1 4 4 GLN C C 161 177.900 177.900 175.541 2.359 18244 2269 1 6 . 1 1 4 4 GLN CA C 161 55.500 55.500 55.059 0.441 18244 2270 1 6 . 1 1 4 4 GLN CB C 161 29.600 29.600 30.253 -0.653 18244 2271 1 6 . 1 1 4 4 GLN H H 161 8.515 8.515 8.400 0.115 18244 2272 1 6 . 1 1 5 5 LEU N N 162 124.755 124.755 121.787 2.968 18244 2273 1 6 . 1 1 5 5 LEU HA H 162 4.577 4.577 4.126 0.451 18244 2274 1 6 . 1 1 5 5 LEU C C 162 180.500 180.500 176.385 4.115 18244 2275 1 6 . 1 1 5 5 LEU CA C 162 54.700 54.700 54.642 0.058 18244 2276 1 6 . 1 1 5 5 LEU CB C 162 42.900 42.900 41.517 1.383 18244 2277 1 6 . 1 1 5 5 LEU H H 162 8.480 8.480 8.604 -0.124 18244 2278 1 6 . 1 1 6 6 THR N N 163 114.727 114.727 119.570 -4.843 18244 2279 1 6 . 1 1 6 6 THR HA H 163 4.596 4.596 4.370 0.226 18244 2280 1 6 . 1 1 6 6 THR CA C 163 60.200 60.200 61.648 -1.448 18244 2281 1 6 . 1 1 6 6 THR CB C 163 68.200 68.200 70.038 -1.838 18244 2282 1 6 . 1 1 6 6 THR H H 163 8.623 8.623 8.709 -0.086 18244 2283 1 6 . 1 1 7 7 PRO HA H 164 4.263 4.263 4.310 -0.047 18244 2284 1 6 . 1 1 7 7 PRO C C 164 181.600 181.600 178.411 3.189 18244 2285 1 6 . 1 1 7 7 PRO CA C 164 65.900 65.900 64.876 1.024 18244 2286 1 6 . 1 1 7 7 PRO CB C 164 31.600 31.600 31.840 -0.240 18244 2287 1 6 . 1 1 8 8 GLN N N 165 116.429 116.429 118.419 -1.990 18244 2288 1 6 . 1 1 8 8 GLN HA H 165 4.063 4.063 3.967 0.096 18244 2289 1 6 . 1 1 8 8 GLN C C 165 181.300 181.300 178.312 2.988 18244 2290 1 6 . 1 1 8 8 GLN CA C 165 59.500 59.500 59.062 0.438 18244 2291 1 6 . 1 1 8 8 GLN CB C 165 28.300 28.300 28.396 -0.096 18244 2292 1 6 . 1 1 8 8 GLN H H 165 8.439 8.439 7.792 0.647 18244 2293 1 6 . 1 1 9 9 GLN N N 166 120.164 120.164 118.119 2.045 18244 2294 1 6 . 1 1 9 9 GLN HA H 166 3.948 3.948 4.114 -0.166 18244 2295 1 6 . 1 1 9 9 GLN C C 166 180.600 180.600 178.665 1.935 18244 2296 1 6 . 1 1 9 9 GLN CA C 166 58.700 58.700 58.437 0.263 18244 2297 1 6 . 1 1 9 9 GLN CB C 166 29.300 29.300 28.817 0.483 18244 2298 1 6 . 1 1 9 9 GLN H H 166 7.760 7.760 7.649 0.111 18244 2299 1 6 . 1 1 10 10 GLN N N 167 119.164 119.164 118.833 0.331 18244 2300 1 6 . 1 1 10 10 GLN HA H 167 3.860 3.860 4.067 -0.207 18244 2301 1 6 . 1 1 10 10 GLN C C 167 180.300 180.300 178.705 1.595 18244 2302 1 6 . 1 1 10 10 GLN CA C 167 58.600 58.600 58.693 -0.093 18244 2303 1 6 . 1 1 10 10 GLN CB C 167 29.000 29.000 28.381 0.619 18244 2304 1 6 . 1 1 10 10 GLN H H 167 8.787 8.787 7.578 1.209 18244 2305 1 6 . 1 1 11 11 GLN N N 168 118.139 118.139 118.167 -0.028 18244 2306 1 6 . 1 1 11 11 GLN HA H 168 4.111 4.111 4.141 -0.030 18244 2307 1 6 . 1 1 11 11 GLN C C 168 180.600 180.600 178.297 2.303 18244 2308 1 6 . 1 1 11 11 GLN CA C 168 58.900 58.900 58.496 0.404 18244 2309 1 6 . 1 1 11 11 GLN CB C 168 28.500 28.500 28.427 0.073 18244 2310 1 6 . 1 1 11 11 GLN H H 168 7.987 7.987 7.960 0.027 18244 2311 1 6 . 1 1 12 12 LEU N N 169 120.649 120.649 115.891 4.758 18244 2312 1 6 . 1 1 12 12 LEU HA H 169 4.138 4.138 4.378 -0.240 18244 2313 1 6 . 1 1 12 12 LEU C C 169 181.300 181.300 178.762 2.538 18244 2314 1 6 . 1 1 12 12 LEU CA C 169 58.100 58.100 57.734 0.366 18244 2315 1 6 . 1 1 12 12 LEU CB C 169 41.600 41.600 41.628 -0.028 18244 2316 1 6 . 1 1 12 12 LEU H H 169 7.457 7.457 7.340 0.117 18244 2317 1 6 . 1 1 13 13 VAL N N 170 119.772 119.772 118.866 0.906 18244 2318 1 6 . 1 1 13 13 VAL HA H 170 3.570 3.570 3.674 -0.104 18244 2319 1 6 . 1 1 13 13 VAL C C 170 180.700 180.700 177.892 2.808 18244 2320 1 6 . 1 1 13 13 VAL CA C 170 66.700 66.700 65.759 0.941 18244 2321 1 6 . 1 1 13 13 VAL CB C 170 31.700 31.700 31.209 0.491 18244 2322 1 6 . 1 1 13 13 VAL H H 170 8.101 8.101 7.598 0.503 18244 2323 1 6 . 1 1 14 14 ASN N N 171 118.278 118.278 116.377 1.901 18244 2324 1 6 . 1 1 14 14 ASN HA H 171 4.454 4.454 4.536 -0.082 18244 2325 1 6 . 1 1 14 14 ASN C C 171 180.800 180.800 177.557 3.243 18244 2326 1 6 . 1 1 14 14 ASN CA C 171 56.000 56.000 55.590 0.410 18244 2327 1 6 . 1 1 14 14 ASN CB C 171 37.600 37.600 38.700 -1.100 18244 2328 1 6 . 1 1 14 14 ASN H H 171 8.253 8.253 8.034 0.219 18244 2329 1 6 . 1 1 15 15 GLN N N 172 120.079 120.079 116.729 3.350 18244 2330 1 6 . 1 1 15 15 GLN HA H 172 4.152 4.152 4.164 -0.012 18244 2331 1 6 . 1 1 15 15 GLN C C 172 181.100 181.100 177.056 4.044 18244 2332 1 6 . 1 1 15 15 GLN CA C 172 58.600 58.600 57.821 0.779 18244 2333 1 6 . 1 1 15 15 GLN CB C 172 28.800 28.800 28.425 0.375 18244 2334 1 6 . 1 1 15 15 GLN H H 172 8.112 8.112 7.376 0.736 18244 2335 1 6 . 1 1 16 16 MET N N 173 118.323 118.323 116.245 2.078 18244 2336 1 6 . 1 1 16 16 MET HA H 173 4.266 4.266 4.440 -0.174 18244 2337 1 6 . 1 1 16 16 MET C C 173 180.300 180.300 177.169 3.131 18244 2338 1 6 . 1 1 16 16 MET CA C 173 57.300 57.300 54.784 2.516 18244 2339 1 6 . 1 1 16 16 MET CB C 173 31.400 31.400 32.468 -1.068 18244 2340 1 6 . 1 1 16 16 MET H H 173 8.371 8.371 7.448 0.923 18244 2341 1 6 . 1 1 17 17 LYS N N 174 117.179 117.179 121.476 -4.297 18244 2342 1 6 . 1 1 17 17 LYS HA H 174 4.450 4.450 4.289 0.161 18244 2343 1 6 . 1 1 17 17 LYS C C 174 178.400 178.400 177.602 0.798 18244 2344 1 6 . 1 1 17 17 LYS CA C 174 55.800 55.800 58.588 -2.788 18244 2345 1 6 . 1 1 17 17 LYS CB C 174 33.600 33.600 33.585 0.015 18244 2346 1 6 . 1 1 17 17 LYS H H 174 7.798 7.798 7.324 0.474 18244 2347 1 6 . 1 1 18 18 VAL N N 175 135.773 135.773 116.822 18.951 18244 2348 1 6 . 1 1 18 18 VAL HA H 175 4.674 4.674 4.438 0.236 18244 2349 1 6 . 1 1 18 18 VAL C C 175 177.700 177.700 174.390 3.310 18244 2350 1 6 . 1 1 18 18 VAL CA C 175 60.100 60.100 61.063 -0.963 18244 2351 1 6 . 1 1 18 18 VAL CB C 175 33.200 33.200 31.206 1.994 18244 2352 1 6 . 1 1 18 18 VAL H H 175 6.894 6.894 7.437 -0.543 18244 2353 1 6 . 1 1 19 19 ALA N N 176 127.267 127.267 128.057 -0.790 18244 2354 1 6 . 1 1 19 19 ALA HA H 176 4.653 4.653 4.952 -0.299 18244 2355 1 6 . 1 1 19 19 ALA CA C 176 50.200 50.200 49.321 0.879 18244 2356 1 6 . 1 1 19 19 ALA CB C 176 18.800 18.800 21.103 -2.303 18244 2357 1 6 . 1 1 19 19 ALA H H 176 7.508 7.508 7.903 -0.395 18244 2358 1 6 . 1 1 20 20 PRO HA H 177 4.439 4.439 4.644 -0.205 18244 2359 1 6 . 1 1 20 20 PRO C C 177 179.700 179.700 175.382 4.318 18244 2360 1 6 . 1 1 20 20 PRO CA C 177 62.900 62.900 62.237 0.663 18244 2361 1 6 . 1 1 20 20 PRO CB C 177 31.400 31.400 32.896 -1.496 18244 2362 1 6 . 1 1 21 21 ILE N N 178 128.957 128.957 122.867 6.090 18244 2363 1 6 . 1 1 21 21 ILE HA H 178 3.571 3.571 3.647 -0.076 18244 2364 1 6 . 1 1 21 21 ILE CA C 178 59.700 59.700 59.593 0.107 18244 2365 1 6 . 1 1 21 21 ILE CB C 178 39.300 39.300 37.297 2.003 18244 2366 1 6 . 1 1 21 21 ILE H H 178 8.659 8.659 8.032 0.627 18244 2367 1 6 . 1 1 22 22 PRO HA H 179 4.298 4.298 4.289 0.009 18244 2368 1 6 . 1 1 22 22 PRO C C 179 180.600 180.600 176.917 3.683 18244 2369 1 6 . 1 1 22 22 PRO CA C 179 62.900 62.900 62.529 0.371 18244 2370 1 6 . 1 1 22 22 PRO CB C 179 32.600 32.600 32.377 0.223 18244 2371 1 6 . 1 1 23 23 LYS N N 180 126.052 126.052 122.252 3.800 18244 2372 1 6 . 1 1 23 23 LYS HA H 180 3.848 3.848 3.884 -0.036 18244 2373 1 6 . 1 1 23 23 LYS C C 180 180.300 180.300 178.943 1.357 18244 2374 1 6 . 1 1 23 23 LYS CA C 180 60.200 60.200 60.018 0.182 18244 2375 1 6 . 1 1 23 23 LYS CB C 180 32.400 32.400 32.224 0.176 18244 2376 1 6 . 1 1 23 23 LYS H H 180 8.871 8.871 8.491 0.380 18244 2377 1 6 . 1 1 24 24 GLN N N 181 115.658 115.658 117.423 -1.765 18244 2378 1 6 . 1 1 24 24 GLN HA H 181 4.102 4.102 4.251 -0.149 18244 2379 1 6 . 1 1 24 24 GLN C C 181 179.000 179.000 177.597 1.403 18244 2380 1 6 . 1 1 24 24 GLN CA C 181 58.600 58.600 58.323 0.277 18244 2381 1 6 . 1 1 24 24 GLN CB C 181 27.400 27.400 28.350 -0.950 18244 2382 1 6 . 1 1 24 24 GLN H H 181 9.038 9.038 8.543 0.495 18244 2383 1 6 . 1 1 25 25 LEU N N 182 117.088 117.088 118.680 -1.592 18244 2384 1 6 . 1 1 25 25 LEU HA H 182 4.231 4.231 4.242 -0.011 18244 2385 1 6 . 1 1 25 25 LEU C C 182 180.300 180.300 178.604 1.696 18244 2386 1 6 . 1 1 25 25 LEU CA C 182 56.600 56.600 55.755 0.845 18244 2387 1 6 . 1 1 25 25 LEU CB C 182 40.900 40.900 42.508 -1.608 18244 2388 1 6 . 1 1 25 25 LEU H H 182 7.309 7.309 7.453 -0.144 18244 2389 1 6 . 1 1 26 26 LEU N N 183 120.917 120.917 120.907 0.010 18244 2390 1 6 . 1 1 26 26 LEU HA H 183 3.699 3.699 3.890 -0.191 18244 2391 1 6 . 1 1 26 26 LEU C C 183 181.300 181.300 178.927 2.373 18244 2392 1 6 . 1 1 26 26 LEU CA C 183 57.900 57.900 57.712 0.188 18244 2393 1 6 . 1 1 26 26 LEU CB C 183 42.400 42.400 41.377 1.023 18244 2394 1 6 . 1 1 26 26 LEU H H 183 7.842 7.842 8.099 -0.257 18244 2395 1 6 . 1 1 27 27 GLN N N 184 112.112 112.112 116.734 -4.622 18244 2396 1 6 . 1 1 27 27 GLN HA H 184 4.082 4.082 4.152 -0.070 18244 2397 1 6 . 1 1 27 27 GLN C C 184 178.800 178.800 177.266 1.534 18244 2398 1 6 . 1 1 27 27 GLN CA C 184 57.300 57.300 57.553 -0.253 18244 2399 1 6 . 1 1 27 27 GLN CB C 184 28.500 28.500 28.317 0.183 18244 2400 1 6 . 1 1 27 27 GLN H H 184 7.505 7.505 7.877 -0.372 18244 2401 1 6 . 1 1 28 28 ARG N N 185 116.659 116.659 118.113 -1.454 18244 2402 1 6 . 1 1 28 28 ARG HA H 185 4.187 4.187 4.267 -0.080 18244 2403 1 6 . 1 1 28 28 ARG C C 185 177.900 177.900 176.742 1.158 18244 2404 1 6 . 1 1 28 28 ARG CA C 185 56.600 56.600 56.685 -0.085 18244 2405 1 6 . 1 1 28 28 ARG CB C 185 30.700 30.700 31.253 -0.553 18244 2406 1 6 . 1 1 28 28 ARG H H 185 7.488 7.488 7.608 -0.120 18244 2407 1 6 . 1 1 29 29 ILE N N 186 121.078 121.078 121.397 -0.319 18244 2408 1 6 . 1 1 29 29 ILE HA H 186 4.352 4.352 4.444 -0.092 18244 2409 1 6 . 1 1 29 29 ILE CA C 186 59.300 59.300 58.930 0.370 18244 2410 1 6 . 1 1 29 29 ILE CB C 186 37.800 37.800 37.891 -0.091 18244 2411 1 6 . 1 1 29 29 ILE H H 186 7.630 7.630 7.294 0.336 18244 2412 1 6 . 1 1 30 30 PRO HA H 187 4.256 4.256 4.550 -0.294 18244 2413 1 6 . 1 1 30 30 PRO C C 187 178.500 178.500 176.554 1.946 18244 2414 1 6 . 1 1 30 30 PRO CA C 187 64.100 64.100 62.181 1.919 18244 2415 1 6 . 1 1 30 30 PRO CB C 187 32.400 32.400 32.491 -0.091 18244 2416 1 6 . 1 1 31 31 ASN N N 188 110.335 110.335 116.114 -5.779 18244 2417 1 6 . 1 1 31 31 ASN HA H 188 4.398 4.398 4.530 -0.132 18244 2418 1 6 . 1 1 31 31 ASN C C 188 177.500 177.500 174.057 3.443 18244 2419 1 6 . 1 1 31 31 ASN CA C 188 54.400 54.400 54.665 -0.265 18244 2420 1 6 . 1 1 31 31 ASN CB C 188 37.700 37.700 38.477 -0.777 18244 2421 1 6 . 1 1 31 31 ASN H H 188 8.464 8.464 8.658 -0.194 18244 2422 1 6 . 1 1 32 32 ILE N N 189 117.608 117.608 119.819 -2.211 18244 2423 1 6 . 1 1 32 32 ILE HA H 189 4.416 4.416 4.435 -0.019 18244 2424 1 6 . 1 1 32 32 ILE CA C 189 58.100 58.100 58.720 -0.620 18244 2425 1 6 . 1 1 32 32 ILE CB C 189 38.600 38.600 40.786 -2.186 18244 2426 1 6 . 1 1 32 32 ILE H H 189 7.325 7.325 7.488 -0.163 18244 2427 1 6 . 1 1 33 33 PRO HA H 190 4.749 4.749 4.964 -0.215 18244 2428 1 6 . 1 1 33 33 PRO CA C 190 61.700 61.700 60.824 0.876 18244 2429 1 6 . 1 1 33 33 PRO CB C 190 31.000 31.000 31.568 -0.568 18244 2430 1 6 . 1 1 34 34 PRO HA H 191 4.391 4.391 4.266 0.125 18244 2431 1 6 . 1 1 34 34 PRO C C 191 178.600 178.600 177.009 1.591 18244 2432 1 6 . 1 1 34 34 PRO CA C 191 63.700 63.700 64.187 -0.487 18244 2433 1 6 . 1 1 34 34 PRO CB C 191 32.000 32.000 31.998 0.002 18244 2434 1 6 . 1 1 35 35 ASN N N 192 112.827 112.827 113.771 -0.944 18244 2435 1 6 . 1 1 35 35 ASN HA H 192 4.456 4.456 4.406 0.050 18244 2436 1 6 . 1 1 35 35 ASN C C 192 176.500 176.500 173.804 2.696 18244 2437 1 6 . 1 1 35 35 ASN CA C 192 53.700 53.700 54.132 -0.432 18244 2438 1 6 . 1 1 35 35 ASN CB C 192 37.300 37.300 38.374 -1.074 18244 2439 1 6 . 1 1 35 35 ASN H H 192 8.256 8.256 8.740 -0.484 18244 2440 1 6 . 1 1 36 36 ILE N N 193 119.133 119.133 118.182 0.951 18244 2441 1 6 . 1 1 36 36 ILE HA H 193 4.144 4.144 4.222 -0.078 18244 2442 1 6 . 1 1 36 36 ILE C C 193 177.200 177.200 174.834 2.366 18244 2443 1 6 . 1 1 36 36 ILE CA C 193 59.100 59.100 60.130 -1.030 18244 2444 1 6 . 1 1 36 36 ILE CB C 193 37.000 37.000 39.975 -2.975 18244 2445 1 6 . 1 1 36 36 ILE H H 193 7.166 7.166 7.521 -0.355 18244 2446 1 6 . 1 1 37 37 ASN N N 194 121.068 121.068 124.494 -3.426 18244 2447 1 6 . 1 1 37 37 ASN HA H 194 4.667 4.667 4.709 -0.042 18244 2448 1 6 . 1 1 37 37 ASN C C 194 175.600 175.600 174.084 1.516 18244 2449 1 6 . 1 1 37 37 ASN CA C 194 53.400 53.400 51.800 1.601 18244 2450 1 6 . 1 1 37 37 ASN CB C 194 40.400 40.400 37.441 2.959 18244 2451 1 6 . 1 1 37 37 ASN H H 194 8.764 8.764 8.627 0.137 18244 2452 1 6 . 1 1 38 38 THR N N 195 106.795 106.795 112.928 -6.133 18244 2453 1 6 . 1 1 38 38 THR HA H 195 4.924 4.924 4.704 0.220 18244 2454 1 6 . 1 1 38 38 THR C C 195 178.000 178.000 173.753 4.247 18244 2455 1 6 . 1 1 38 38 THR CA C 195 58.800 58.800 61.616 -2.816 18244 2456 1 6 . 1 1 38 38 THR CB C 195 73.500 73.500 71.806 1.694 18244 2457 1 6 . 1 1 38 38 THR H H 195 7.527 7.527 7.280 0.247 18244 2458 1 6 . 1 1 39 39 TRP N N 196 123.744 123.744 126.704 -2.960 18244 2459 1 6 . 1 1 39 39 TRP HA H 196 4.533 4.533 4.323 0.210 18244 2460 1 6 . 1 1 39 39 TRP C C 196 182.300 182.300 177.909 4.391 18244 2461 1 6 . 1 1 39 39 TRP CA C 196 60.100 60.100 62.139 -2.039 18244 2462 1 6 . 1 1 39 39 TRP CB C 196 29.400 29.400 29.982 -0.582 18244 2463 1 6 . 1 1 39 39 TRP H H 196 10.363 10.363 9.030 1.333 18244 2464 1 6 . 1 1 40 40 GLN N N 197 120.207 120.207 117.766 2.441 18244 2465 1 6 . 1 1 40 40 GLN HA H 197 4.268 4.268 4.141 0.127 18244 2466 1 6 . 1 1 40 40 GLN C C 197 180.900 180.900 177.945 2.955 18244 2467 1 6 . 1 1 40 40 GLN CA C 197 59.500 59.500 58.892 0.608 18244 2468 1 6 . 1 1 40 40 GLN CB C 197 28.500 28.500 28.036 0.464 18244 2469 1 6 . 1 1 40 40 GLN H H 197 8.550 8.550 8.896 -0.346 18244 2470 1 6 . 1 1 41 41 GLN N N 198 118.163 118.163 116.115 2.048 18244 2471 1 6 . 1 1 41 41 GLN HA H 198 4.191 4.191 4.252 -0.061 18244 2472 1 6 . 1 1 41 41 GLN C C 198 181.500 181.500 178.473 3.027 18244 2473 1 6 . 1 1 41 41 GLN CA C 198 58.500 58.500 58.313 0.187 18244 2474 1 6 . 1 1 41 41 GLN CB C 198 30.400 30.400 29.334 1.066 18244 2475 1 6 . 1 1 41 41 GLN H H 198 7.594 7.594 7.861 -0.267 18244 2476 1 6 . 1 1 42 42 VAL N N 199 121.112 121.112 115.930 5.182 18244 2477 1 6 . 1 1 42 42 VAL HA H 199 3.479 3.479 3.872 -0.393 18244 2478 1 6 . 1 1 42 42 VAL C C 199 180.000 180.000 177.607 2.393 18244 2479 1 6 . 1 1 42 42 VAL CA C 199 67.500 67.500 65.524 1.976 18244 2480 1 6 . 1 1 42 42 VAL CB C 199 32.000 32.000 31.385 0.615 18244 2481 1 6 . 1 1 42 42 VAL H H 199 8.116 8.116 8.097 0.019 18244 2482 1 6 . 1 1 43 43 THR N N 200 113.870 113.870 114.152 -0.282 18244 2483 1 6 . 1 1 43 43 THR HA H 200 3.904 3.904 4.321 -0.417 18244 2484 1 6 . 1 1 43 43 THR C C 200 178.900 178.900 175.999 2.901 18244 2485 1 6 . 1 1 43 43 THR CA C 200 67.000 67.000 64.766 2.234 18244 2486 1 6 . 1 1 43 43 THR CB C 200 68.500 68.500 68.402 0.098 18244 2487 1 6 . 1 1 43 43 THR H H 200 8.726 8.726 7.918 0.808 18244 2488 1 6 . 1 1 44 44 ALA N N 201 124.369 124.369 124.521 -0.152 18244 2489 1 6 . 1 1 44 44 ALA HA H 201 4.280 4.280 4.228 0.052 18244 2490 1 6 . 1 1 44 44 ALA C C 201 182.700 182.700 178.781 3.919 18244 2491 1 6 . 1 1 44 44 ALA CA C 201 55.500 55.500 54.520 0.980 18244 2492 1 6 . 1 1 44 44 ALA CB C 201 17.900 17.900 17.971 -0.071 18244 2493 1 6 . 1 1 44 44 ALA H H 201 7.539 7.539 7.527 0.012 18244 2494 1 6 . 1 1 45 45 LEU N N 202 117.896 117.896 117.887 0.009 18244 2495 1 6 . 1 1 45 45 LEU HA H 202 4.068 4.068 3.986 0.082 18244 2496 1 6 . 1 1 45 45 LEU C C 202 182.200 182.200 178.453 3.747 18244 2497 1 6 . 1 1 45 45 LEU CA C 202 58.100 58.100 56.894 1.206 18244 2498 1 6 . 1 1 45 45 LEU CB C 202 41.800 41.800 41.300 0.500 18244 2499 1 6 . 1 1 45 45 LEU H H 202 7.716 7.716 7.510 0.206 18244 2500 1 6 . 1 1 46 46 ALA N N 203 121.746 121.746 120.730 1.016 18244 2501 1 6 . 1 1 46 46 ALA HA H 203 4.184 4.184 4.139 0.045 18244 2502 1 6 . 1 1 46 46 ALA C C 203 184.300 184.300 180.382 3.918 18244 2503 1 6 . 1 1 46 46 ALA CA C 203 55.400 55.400 54.761 0.639 18244 2504 1 6 . 1 1 46 46 ALA CB C 203 18.100 18.100 18.480 -0.380 18244 2505 1 6 . 1 1 46 46 ALA H H 203 8.117 8.117 7.879 0.238 18244 2506 1 6 . 1 1 47 47 GLN N N 204 120.247 120.247 117.049 3.198 18244 2507 1 6 . 1 1 47 47 GLN HA H 204 4.088 4.088 4.207 -0.119 18244 2508 1 6 . 1 1 47 47 GLN C C 204 180.100 180.100 177.400 2.700 18244 2509 1 6 . 1 1 47 47 GLN CA C 204 58.900 58.900 57.469 1.431 18244 2510 1 6 . 1 1 47 47 GLN CB C 204 28.500 28.500 28.587 -0.087 18244 2511 1 6 . 1 1 47 47 GLN H H 204 8.515 8.515 7.684 0.831 18244 2512 1 6 . 1 1 48 48 GLN N N 205 116.167 116.167 116.596 -0.429 18244 2513 1 6 . 1 1 48 48 GLN HA H 205 4.290 4.290 4.400 -0.110 18244 2514 1 6 . 1 1 48 48 GLN C C 205 176.700 176.700 175.490 1.210 18244 2515 1 6 . 1 1 48 48 GLN CA C 205 55.900 55.900 54.898 1.002 18244 2516 1 6 . 1 1 48 48 GLN CB C 205 30.000 30.000 28.656 1.344 18244 2517 1 6 . 1 1 48 48 GLN H H 205 7.534 7.534 7.477 0.057 18244 2518 1 6 . 1 1 49 49 LYS N N 206 113.354 113.354 115.017 -1.663 18244 2519 1 6 . 1 1 49 49 LYS HA H 206 4.118 4.118 3.960 0.158 18244 2520 1 6 . 1 1 49 49 LYS C C 206 178.700 178.700 176.540 2.160 18244 2521 1 6 . 1 1 49 49 LYS CA C 206 57.500 57.500 57.648 -0.148 18244 2522 1 6 . 1 1 49 49 LYS CB C 206 28.300 28.300 29.663 -1.363 18244 2523 1 6 . 1 1 49 49 LYS H H 206 7.957 7.957 7.596 0.361 18244 2524 1 6 . 1 1 50 50 LEU N N 207 116.944 116.944 116.614 0.330 18244 2525 1 6 . 1 1 50 50 LEU HA H 207 4.423 4.423 4.247 0.176 18244 2526 1 6 . 1 1 50 50 LEU C C 207 180.000 180.000 177.022 2.978 18244 2527 1 6 . 1 1 50 50 LEU CA C 207 55.300 55.300 56.231 -0.931 18244 2528 1 6 . 1 1 50 50 LEU CB C 207 42.500 42.500 42.824 -0.324 18244 2529 1 6 . 1 1 50 50 LEU H H 207 8.016 8.016 7.849 0.167 18244 2530 1 6 . 1 1 51 51 LEU N N 208 117.793 117.793 119.241 -1.448 18244 2531 1 6 . 1 1 51 51 LEU HA H 208 4.922 4.922 4.399 0.523 18244 2532 1 6 . 1 1 51 51 LEU C C 208 179.000 179.000 176.488 2.512 18244 2533 1 6 . 1 1 51 51 LEU CA C 208 53.400 53.400 54.039 -0.639 18244 2534 1 6 . 1 1 51 51 LEU CB C 208 44.500 44.500 42.844 1.656 18244 2535 1 6 . 1 1 51 51 LEU H H 208 7.109 7.109 7.404 -0.295 18244 2536 1 6 . 1 1 52 52 THR N N 209 115.695 115.695 117.163 -1.468 18244 2537 1 6 . 1 1 52 52 THR HA H 209 4.623 4.623 4.719 -0.096 18244 2538 1 6 . 1 1 52 52 THR CA C 209 60.700 60.700 59.386 1.314 18244 2539 1 6 . 1 1 52 52 THR CB C 209 69.000 69.000 68.975 0.025 18244 2540 1 6 . 1 1 52 52 THR H H 209 9.460 9.460 8.820 0.640 18244 2541 1 6 . 1 1 53 53 PRO HA H 210 4.275 4.275 4.163 0.112 18244 2542 1 6 . 1 1 53 53 PRO C C 210 181.700 181.700 178.417 3.283 18244 2543 1 6 . 1 1 53 53 PRO CA C 210 66.000 66.000 65.606 0.394 18244 2544 1 6 . 1 1 53 53 PRO CB C 210 31.600 31.600 31.660 -0.060 18244 2545 1 6 . 1 1 54 54 GLN N N 211 116.837 116.837 115.967 0.870 18244 2546 1 6 . 1 1 54 54 GLN HA H 211 4.119 4.119 4.112 0.007 18244 2547 1 6 . 1 1 54 54 GLN C C 211 181.500 181.500 178.456 3.044 18244 2548 1 6 . 1 1 54 54 GLN CA C 211 59.800 59.800 58.935 0.865 18244 2549 1 6 . 1 1 54 54 GLN CB C 211 28.100 28.100 27.726 0.374 18244 2550 1 6 . 1 1 54 54 GLN H H 211 8.229 8.229 8.478 -0.249 18244 2551 1 6 . 1 1 55 55 ASP N N 212 123.621 123.621 120.601 3.020 18244 2552 1 6 . 1 1 55 55 ASP HA H 212 4.353 4.353 4.454 -0.101 18244 2553 1 6 . 1 1 55 55 ASP C C 212 181.100 181.100 178.423 2.677 18244 2554 1 6 . 1 1 55 55 ASP CA C 212 57.900 57.900 57.131 0.769 18244 2555 1 6 . 1 1 55 55 ASP CB C 212 41.700 41.700 40.797 0.903 18244 2556 1 6 . 1 1 55 55 ASP H H 212 7.957 7.957 7.934 0.023 18244 2557 1 6 . 1 1 56 56 MET N N 213 117.263 117.263 117.855 -0.592 18244 2558 1 6 . 1 1 56 56 MET HA H 213 4.380 4.380 4.280 0.100 18244 2559 1 6 . 1 1 56 56 MET C C 213 181.000 181.000 178.307 2.693 18244 2560 1 6 . 1 1 56 56 MET CA C 213 57.100 57.100 58.948 -1.848 18244 2561 1 6 . 1 1 56 56 MET CB C 213 31.200 31.200 32.448 -1.248 18244 2562 1 6 . 1 1 56 56 MET H H 213 8.314 8.314 8.101 0.213 18244 2563 1 6 . 1 1 57 57 GLU N N 214 120.570 120.570 120.085 0.485 18244 2564 1 6 . 1 1 57 57 GLU HA H 214 4.085 4.085 4.128 -0.043 18244 2565 1 6 . 1 1 57 57 GLU C C 214 181.700 181.700 178.193 3.507 18244 2566 1 6 . 1 1 57 57 GLU CA C 214 59.500 59.500 58.602 0.898 18244 2567 1 6 . 1 1 57 57 GLU CB C 214 29.300 29.300 29.851 -0.551 18244 2568 1 6 . 1 1 57 57 GLU H H 214 8.039 8.039 7.828 0.211 18244 2569 1 6 . 1 1 58 58 ALA N N 215 121.915 121.915 120.766 1.149 18244 2570 1 6 . 1 1 58 58 ALA HA H 215 4.361 4.361 4.223 0.138 18244 2571 1 6 . 1 1 58 58 ALA C C 215 182.800 182.800 179.558 3.242 18244 2572 1 6 . 1 1 58 58 ALA CA C 215 55.100 55.100 54.310 0.789 18244 2573 1 6 . 1 1 58 58 ALA CB C 215 18.500 18.500 18.685 -0.185 18244 2574 1 6 . 1 1 58 58 ALA H H 215 7.571 7.571 7.470 0.101 18244 2575 1 6 . 1 1 59 59 ALA N N 216 120.749 120.749 120.732 0.017 18244 2576 1 6 . 1 1 59 59 ALA HA H 216 4.137 4.137 4.061 0.076 18244 2577 1 6 . 1 1 59 59 ALA C C 216 180.800 180.800 178.673 2.127 18244 2578 1 6 . 1 1 59 59 ALA CA C 216 55.700 55.700 54.663 1.036 18244 2579 1 6 . 1 1 59 59 ALA CB C 216 18.100 18.100 18.493 -0.393 18244 2580 1 6 . 1 1 59 59 ALA H H 216 8.728 8.728 7.912 0.816 18244 2581 1 6 . 1 1 60 60 LYS N N 217 117.415 117.415 118.420 -1.005 18244 2582 1 6 . 1 1 60 60 LYS HA H 217 3.700 3.700 3.991 -0.291 18244 2583 1 6 . 1 1 60 60 LYS C C 217 181.300 181.300 179.137 2.163 18244 2584 1 6 . 1 1 60 60 LYS CA C 217 60.200 60.200 59.696 0.504 18244 2585 1 6 . 1 1 60 60 LYS CB C 217 32.600 32.600 32.114 0.486 18244 2586 1 6 . 1 1 60 60 LYS H H 217 8.292 8.292 7.598 0.694 18244 2587 1 6 . 1 1 61 61 GLN N N 218 118.499 118.499 118.035 0.464 18244 2588 1 6 . 1 1 61 61 GLN HA H 218 4.171 4.171 4.141 0.030 18244 2589 1 6 . 1 1 61 61 GLN C C 218 181.500 181.500 178.191 3.309 18244 2590 1 6 . 1 1 61 61 GLN CA C 218 59.200 59.200 58.613 0.587 18244 2591 1 6 . 1 1 61 61 GLN CB C 218 29.400 29.400 28.749 0.651 18244 2592 1 6 . 1 1 61 61 GLN H H 218 7.401 7.401 7.718 -0.317 18244 2593 1 6 . 1 1 62 62 VAL N N 219 119.685 119.685 120.476 -0.791 18244 2594 1 6 . 1 1 62 62 VAL HA H 219 3.746 3.746 3.757 -0.011 18244 2595 1 6 . 1 1 62 62 VAL C C 219 179.400 179.400 177.899 1.501 18244 2596 1 6 . 1 1 62 62 VAL CA C 219 66.800 66.800 66.415 0.385 18244 2597 1 6 . 1 1 62 62 VAL CB C 219 31.900 31.900 31.345 0.555 18244 2598 1 6 . 1 1 62 62 VAL H H 219 8.036 8.036 7.615 0.421 18244 2599 1 6 . 1 1 63 63 TYR N N 220 123.794 123.794 120.905 2.889 18244 2600 1 6 . 1 1 63 63 TYR HA H 220 3.725 3.725 4.394 -0.669 18244 2601 1 6 . 1 1 63 63 TYR C C 220 179.300 179.300 178.028 1.272 18244 2602 1 6 . 1 1 63 63 TYR CA C 220 62.200 62.200 62.199 0.001 18244 2603 1 6 . 1 1 63 63 TYR CB C 220 38.000 38.000 38.297 -0.297 18244 2604 1 6 . 1 1 63 63 TYR H H 220 8.802 8.802 7.877 0.925 18244 2605 1 6 . 1 1 64 64 LYS N N 221 117.772 117.772 119.513 -1.741 18244 2606 1 6 . 1 1 64 64 LYS HA H 221 3.864 3.864 4.377 -0.513 18244 2607 1 6 . 1 1 64 64 LYS C C 221 181.700 181.700 179.306 2.394 18244 2608 1 6 . 1 1 64 64 LYS CA C 221 59.800 59.800 59.337 0.463 18244 2609 1 6 . 1 1 64 64 LYS CB C 221 32.200 32.200 32.570 -0.370 18244 2610 1 6 . 1 1 64 64 LYS H H 221 7.452 7.452 7.670 -0.218 18244 2611 1 6 . 1 1 65 65 ILE N N 222 119.985 119.985 119.093 0.892 18244 2612 1 6 . 1 1 65 65 ILE HA H 222 3.757 3.757 3.742 0.015 18244 2613 1 6 . 1 1 65 65 ILE C C 222 180.700 180.700 177.519 3.181 18244 2614 1 6 . 1 1 65 65 ILE CA C 222 65.000 65.000 64.782 0.218 18244 2615 1 6 . 1 1 65 65 ILE CB C 222 38.200 38.200 37.812 0.388 18244 2616 1 6 . 1 1 65 65 ILE H H 222 7.673 7.673 7.929 -0.256 18244 2617 1 6 . 1 1 66 66 HIS N N 223 121.506 121.506 120.188 1.318 18244 2618 1 6 . 1 1 66 66 HIS HA H 223 4.343 4.343 4.088 0.255 18244 2619 1 6 . 1 1 66 66 HIS C C 223 179.400 179.400 177.427 1.973 18244 2620 1 6 . 1 1 66 66 HIS CA C 223 57.500 57.500 59.777 -2.277 18244 2621 1 6 . 1 1 66 66 HIS CB C 223 32.800 32.800 30.448 2.352 18244 2622 1 6 . 1 1 66 66 HIS H H 223 8.943 8.943 8.449 0.494 18244 2623 1 6 . 1 1 67 67 GLN N N 224 117.421 117.421 117.277 0.144 18244 2624 1 6 . 1 1 67 67 GLN HA H 224 3.720 3.720 3.918 -0.199 18244 2625 1 6 . 1 1 67 67 GLN C C 224 180.200 180.200 178.412 1.788 18244 2626 1 6 . 1 1 67 67 GLN CA C 224 59.800 59.800 58.552 1.248 18244 2627 1 6 . 1 1 67 67 GLN CB C 224 29.500 29.500 28.116 1.384 18244 2628 1 6 . 1 1 67 67 GLN H H 224 8.526 8.526 8.112 0.414 18244 2629 1 6 . 1 1 68 68 GLN N N 225 117.385 117.385 119.923 -2.538 18244 2630 1 6 . 1 1 68 68 GLN HA H 225 4.017 4.017 4.141 -0.124 18244 2631 1 6 . 1 1 68 68 GLN C C 225 181.100 181.100 178.833 2.267 18244 2632 1 6 . 1 1 68 68 GLN CA C 225 59.200 59.200 58.601 0.599 18244 2633 1 6 . 1 1 68 68 GLN CB C 225 28.400 28.400 28.712 -0.312 18244 2634 1 6 . 1 1 68 68 GLN H H 225 7.673 7.673 7.568 0.105 18244 2635 1 6 . 1 1 69 69 LEU N N 226 120.608 120.608 120.788 -0.180 18244 2636 1 6 . 1 1 69 69 LEU HA H 226 4.126 4.126 4.119 0.007 18244 2637 1 6 . 1 1 69 69 LEU C C 226 182.700 182.700 178.958 3.742 18244 2638 1 6 . 1 1 69 69 LEU CA C 226 58.200 58.200 57.836 0.364 18244 2639 1 6 . 1 1 69 69 LEU CB C 226 42.000 42.000 41.992 0.007 18244 2640 1 6 . 1 1 69 69 LEU H H 226 8.227 8.227 7.793 0.434 18244 2641 1 6 . 1 1 70 70 LEU N N 227 120.607 120.607 119.837 0.770 18244 2642 1 6 . 1 1 70 70 LEU HA H 227 4.108 4.108 3.932 0.176 18244 2643 1 6 . 1 1 70 70 LEU C C 227 181.900 181.900 179.132 2.768 18244 2644 1 6 . 1 1 70 70 LEU CA C 227 57.700 57.700 57.904 -0.204 18244 2645 1 6 . 1 1 70 70 LEU CB C 227 41.900 41.900 41.758 0.142 18244 2646 1 6 . 1 1 70 70 LEU H H 227 8.273 8.273 7.809 0.464 18244 2647 1 6 . 1 1 71 71 PHE N N 228 119.975 119.975 119.247 0.728 18244 2648 1 6 . 1 1 71 71 PHE HA H 228 4.315 4.315 3.998 0.317 18244 2649 1 6 . 1 1 71 71 PHE C C 228 180.100 180.100 177.185 2.915 18244 2650 1 6 . 1 1 71 71 PHE CA C 228 60.200 60.200 62.023 -1.823 18244 2651 1 6 . 1 1 71 71 PHE CB C 228 39.000 39.000 39.150 -0.150 18244 2652 1 6 . 1 1 71 71 PHE H H 228 8.469 8.469 7.931 0.538 18244 2653 1 6 . 1 1 72 72 LYS N N 229 119.148 119.148 118.680 0.468 18244 2654 1 6 . 1 1 72 72 LYS HA H 229 4.012 4.012 3.923 0.089 18244 2655 1 6 . 1 1 72 72 LYS C C 229 180.400 180.400 178.659 1.741 18244 2656 1 6 . 1 1 72 72 LYS CA C 229 58.800 58.800 59.711 -0.911 18244 2657 1 6 . 1 1 72 72 LYS CB C 229 32.300 32.300 32.267 0.033 18244 2658 1 6 . 1 1 72 72 LYS H H 229 8.143 8.143 7.702 0.441 18244 2659 1 6 . 1 1 73 73 ALA N N 230 121.483 121.483 121.309 0.174 18244 2660 1 6 . 1 1 73 73 ALA HA H 230 4.224 4.224 4.465 -0.241 18244 2661 1 6 . 1 1 73 73 ALA C C 230 181.600 181.600 179.692 1.908 18244 2662 1 6 . 1 1 73 73 ALA CA C 230 54.200 54.200 54.514 -0.313 18244 2663 1 6 . 1 1 73 73 ALA CB C 230 18.500 18.500 18.434 0.066 18244 2664 1 6 . 1 1 73 73 ALA H H 230 7.886 7.886 8.002 -0.116 18244 2665 1 6 . 1 1 74 74 ARG N N 231 118.073 118.073 117.702 0.371 18244 2666 1 6 . 1 1 74 74 ARG HA H 231 4.189 4.189 4.075 0.114 18244 2667 1 6 . 1 1 74 74 ARG C C 231 179.900 179.900 177.491 2.409 18244 2668 1 6 . 1 1 74 74 ARG CA C 231 57.600 57.600 57.906 -0.306 18244 2669 1 6 . 1 1 74 74 ARG CB C 231 30.100 30.100 29.772 0.328 18244 2670 1 6 . 1 1 74 74 ARG H H 231 7.849 7.849 7.557 0.292 18244 2671 1 6 . 1 1 75 75 LEU N N 232 120.575 120.575 117.279 3.296 18244 2672 1 6 . 1 1 75 75 LEU HA H 232 4.181 4.181 4.150 0.031 18244 2673 1 6 . 1 1 75 75 LEU C C 232 180.600 180.600 177.775 2.825 18244 2674 1 6 . 1 1 75 75 LEU CA C 232 56.400 56.400 55.734 0.666 18244 2675 1 6 . 1 1 75 75 LEU CB C 232 42.000 42.000 41.831 0.169 18244 2676 1 6 . 1 1 75 75 LEU H H 232 7.847 7.847 7.411 0.436 18244 2677 1 6 . 1 1 76 76 GLN N N 233 118.890 118.890 117.034 1.856 18244 2678 1 6 . 1 1 76 76 GLN HA H 233 4.220 4.220 4.565 -0.345 18244 2679 1 6 . 1 1 76 76 GLN C C 233 179.100 179.100 176.060 3.040 18244 2680 1 6 . 1 1 76 76 GLN CA C 233 56.900 56.900 54.300 2.599 18244 2681 1 6 . 1 1 76 76 GLN CB C 233 29.000 29.000 28.772 0.228 18244 2682 1 6 . 1 1 76 76 GLN H H 233 8.008 8.008 8.367 -0.359 18244 2683 1 6 . 1 1 77 77 GLN N N 234 119.836 119.836 122.465 -2.629 18244 2684 1 6 . 1 1 77 77 GLN HA H 234 4.263 4.263 4.289 -0.026 18244 2685 1 6 . 1 1 77 77 GLN C C 234 178.700 178.700 176.575 2.125 18244 2686 1 6 . 1 1 77 77 GLN CA C 234 56.700 56.700 57.475 -0.775 18244 2687 1 6 . 1 1 77 77 GLN CB C 234 29.100 29.100 29.367 -0.267 18244 2688 1 6 . 1 1 77 77 GLN H H 234 8.078 8.078 8.664 -0.586 18244 2689 1 6 . 1 1 78 78 GLN N N 235 120.341 120.341 118.277 2.064 18244 2690 1 6 . 1 1 78 78 GLN HA H 235 4.288 4.288 4.524 -0.236 18244 2691 1 6 . 1 1 78 78 GLN C C 235 178.400 178.400 175.394 3.006 18244 2692 1 6 . 1 1 78 78 GLN CA C 235 56.400 56.400 55.204 1.196 18244 2693 1 6 . 1 1 78 78 GLN CB C 235 29.300 29.300 29.521 -0.221 18244 2694 1 6 . 1 1 78 78 GLN H H 235 8.226 8.226 8.281 -0.055 18244 2695 1 6 . 1 1 79 79 GLN N N 236 120.708 120.708 121.073 -0.365 18244 2696 1 6 . 1 1 79 79 GLN HA H 236 4.316 4.316 4.491 -0.175 18244 2697 1 6 . 1 1 79 79 GLN C C 236 177.800 177.800 176.017 1.783 18244 2698 1 6 . 1 1 79 79 GLN CA C 236 55.900 55.900 55.382 0.518 18244 2699 1 6 . 1 1 79 79 GLN CB C 236 29.500 29.500 30.404 -0.904 18244 2700 1 6 . 1 1 79 79 GLN H H 236 8.253 8.253 8.477 -0.224 18244 2701 1 6 . 1 1 80 80 ALA N N 237 125.698 125.698 128.090 -2.392 18244 2702 1 6 . 1 1 80 80 ALA HA H 237 4.336 4.336 4.325 0.011 18244 2703 1 6 . 1 1 80 80 ALA C C 237 179.000 179.000 177.829 1.171 18244 2704 1 6 . 1 1 80 80 ALA CA C 237 52.800 52.800 53.247 -0.447 18244 2705 1 6 . 1 1 80 80 ALA CB C 237 19.300 19.300 19.325 -0.025 18244 2706 1 6 . 1 1 80 80 ALA H H 237 8.237 8.237 8.691 -0.454 18244 2707 1 7 . 1 1 2 2 ARG HA H 159 4.353 4.353 4.396 -0.043 18244 2708 1 7 . 1 1 2 2 ARG C C 159 178.200 178.200 176.017 2.183 18244 2709 1 7 . 1 1 2 2 ARG CA C 159 56.300 56.300 57.572 -1.272 18244 2710 1 7 . 1 1 2 2 ARG CB C 159 30.900 30.900 30.864 0.035 18244 2711 1 7 . 1 1 3 3 ARG N N 160 123.623 123.623 120.074 3.549 18244 2712 1 7 . 1 1 3 3 ARG HA H 160 4.306 4.306 4.498 -0.192 18244 2713 1 7 . 1 1 3 3 ARG C C 160 178.000 178.000 175.250 2.750 18244 2714 1 7 . 1 1 3 3 ARG CA C 160 56.100 56.100 55.662 0.438 18244 2715 1 7 . 1 1 3 3 ARG CB C 160 31.000 31.000 30.734 0.266 18244 2716 1 7 . 1 1 3 3 ARG H H 160 8.558 8.558 8.034 0.524 18244 2717 1 7 . 1 1 4 4 GLN N N 161 122.962 122.962 121.829 1.133 18244 2718 1 7 . 1 1 4 4 GLN HA H 161 4.355 4.355 4.587 -0.232 18244 2719 1 7 . 1 1 4 4 GLN C C 161 177.900 177.900 174.645 3.255 18244 2720 1 7 . 1 1 4 4 GLN CA C 161 55.500 55.500 53.916 1.583 18244 2721 1 7 . 1 1 4 4 GLN CB C 161 29.600 29.600 31.048 -1.448 18244 2722 1 7 . 1 1 4 4 GLN H H 161 8.515 8.515 8.482 0.033 18244 2723 1 7 . 1 1 5 5 LEU N N 162 124.755 124.755 122.680 2.075 18244 2724 1 7 . 1 1 5 5 LEU HA H 162 4.577 4.577 4.435 0.142 18244 2725 1 7 . 1 1 5 5 LEU C C 162 180.500 180.500 176.657 3.843 18244 2726 1 7 . 1 1 5 5 LEU CA C 162 54.700 54.700 54.307 0.393 18244 2727 1 7 . 1 1 5 5 LEU CB C 162 42.900 42.900 39.892 3.009 18244 2728 1 7 . 1 1 5 5 LEU H H 162 8.480 8.480 8.643 -0.163 18244 2729 1 7 . 1 1 6 6 THR N N 163 114.727 114.727 113.667 1.060 18244 2730 1 7 . 1 1 6 6 THR HA H 163 4.596 4.596 4.665 -0.069 18244 2731 1 7 . 1 1 6 6 THR CA C 163 60.200 60.200 59.075 1.125 18244 2732 1 7 . 1 1 6 6 THR CB C 163 68.200 68.200 69.889 -1.689 18244 2733 1 7 . 1 1 6 6 THR H H 163 8.623 8.623 7.884 0.739 18244 2734 1 7 . 1 1 7 7 PRO HA H 164 4.263 4.263 4.128 0.135 18244 2735 1 7 . 1 1 7 7 PRO C C 164 181.600 181.600 178.904 2.696 18244 2736 1 7 . 1 1 7 7 PRO CA C 164 65.900 65.900 65.691 0.210 18244 2737 1 7 . 1 1 7 7 PRO CB C 164 31.600 31.600 31.796 -0.196 18244 2738 1 7 . 1 1 8 8 GLN N N 165 116.429 116.429 116.782 -0.353 18244 2739 1 7 . 1 1 8 8 GLN HA H 165 4.063 4.063 4.167 -0.104 18244 2740 1 7 . 1 1 8 8 GLN C C 165 181.300 181.300 178.666 2.634 18244 2741 1 7 . 1 1 8 8 GLN CA C 165 59.500 59.500 58.821 0.680 18244 2742 1 7 . 1 1 8 8 GLN CB C 165 28.300 28.300 28.387 -0.087 18244 2743 1 7 . 1 1 8 8 GLN H H 165 8.439 8.439 8.453 -0.014 18244 2744 1 7 . 1 1 9 9 GLN N N 166 120.164 120.164 119.487 0.677 18244 2745 1 7 . 1 1 9 9 GLN HA H 166 3.948 3.948 4.075 -0.127 18244 2746 1 7 . 1 1 9 9 GLN C C 166 180.600 180.600 178.484 2.116 18244 2747 1 7 . 1 1 9 9 GLN CA C 166 58.700 58.700 58.642 0.058 18244 2748 1 7 . 1 1 9 9 GLN CB C 166 29.300 29.300 28.729 0.571 18244 2749 1 7 . 1 1 9 9 GLN H H 166 7.760 7.760 7.881 -0.121 18244 2750 1 7 . 1 1 10 10 GLN N N 167 119.164 119.164 119.350 -0.186 18244 2751 1 7 . 1 1 10 10 GLN HA H 167 3.860 3.860 3.967 -0.107 18244 2752 1 7 . 1 1 10 10 GLN C C 167 180.300 180.300 178.656 1.644 18244 2753 1 7 . 1 1 10 10 GLN CA C 167 58.600 58.600 59.401 -0.801 18244 2754 1 7 . 1 1 10 10 GLN CB C 167 29.000 29.000 28.539 0.461 18244 2755 1 7 . 1 1 10 10 GLN H H 167 8.787 8.787 8.676 0.111 18244 2756 1 7 . 1 1 11 11 GLN N N 168 118.139 118.139 117.128 1.011 18244 2757 1 7 . 1 1 11 11 GLN HA H 168 4.111 4.111 4.241 -0.130 18244 2758 1 7 . 1 1 11 11 GLN C C 168 180.600 180.600 178.316 2.284 18244 2759 1 7 . 1 1 11 11 GLN CA C 168 58.900 58.900 57.763 1.137 18244 2760 1 7 . 1 1 11 11 GLN CB C 168 28.500 28.500 28.360 0.140 18244 2761 1 7 . 1 1 11 11 GLN H H 168 7.987 7.987 7.936 0.051 18244 2762 1 7 . 1 1 12 12 LEU N N 169 120.649 120.649 120.850 -0.201 18244 2763 1 7 . 1 1 12 12 LEU HA H 169 4.138 4.138 4.116 0.022 18244 2764 1 7 . 1 1 12 12 LEU C C 169 181.300 181.300 178.987 2.313 18244 2765 1 7 . 1 1 12 12 LEU CA C 169 58.100 58.100 57.703 0.397 18244 2766 1 7 . 1 1 12 12 LEU CB C 169 41.600 41.600 41.848 -0.248 18244 2767 1 7 . 1 1 12 12 LEU H H 169 7.457 7.457 7.253 0.204 18244 2768 1 7 . 1 1 13 13 VAL N N 170 119.772 119.772 117.688 2.084 18244 2769 1 7 . 1 1 13 13 VAL HA H 170 3.570 3.570 3.728 -0.158 18244 2770 1 7 . 1 1 13 13 VAL C C 170 180.700 180.700 178.091 2.609 18244 2771 1 7 . 1 1 13 13 VAL CA C 170 66.700 66.700 65.109 1.591 18244 2772 1 7 . 1 1 13 13 VAL CB C 170 31.700 31.700 31.063 0.637 18244 2773 1 7 . 1 1 13 13 VAL H H 170 8.101 8.101 8.263 -0.162 18244 2774 1 7 . 1 1 14 14 ASN N N 171 118.278 118.278 117.202 1.076 18244 2775 1 7 . 1 1 14 14 ASN HA H 171 4.454 4.454 4.405 0.049 18244 2776 1 7 . 1 1 14 14 ASN C C 171 180.800 180.800 177.677 3.123 18244 2777 1 7 . 1 1 14 14 ASN CA C 171 56.000 56.000 56.144 -0.144 18244 2778 1 7 . 1 1 14 14 ASN CB C 171 37.600 37.600 38.615 -1.016 18244 2779 1 7 . 1 1 14 14 ASN H H 171 8.253 8.253 7.784 0.469 18244 2780 1 7 . 1 1 15 15 GLN N N 172 120.079 120.079 117.329 2.750 18244 2781 1 7 . 1 1 15 15 GLN HA H 172 4.152 4.152 4.291 -0.139 18244 2782 1 7 . 1 1 15 15 GLN C C 172 181.100 181.100 177.280 3.820 18244 2783 1 7 . 1 1 15 15 GLN CA C 172 58.600 58.600 57.636 0.964 18244 2784 1 7 . 1 1 15 15 GLN CB C 172 28.800 28.800 29.022 -0.222 18244 2785 1 7 . 1 1 15 15 GLN H H 172 8.112 8.112 7.585 0.527 18244 2786 1 7 . 1 1 16 16 MET N N 173 118.323 118.323 117.343 0.980 18244 2787 1 7 . 1 1 16 16 MET HA H 173 4.266 4.266 4.332 -0.066 18244 2788 1 7 . 1 1 16 16 MET C C 173 180.300 180.300 177.609 2.691 18244 2789 1 7 . 1 1 16 16 MET CA C 173 57.300 57.300 56.884 0.416 18244 2790 1 7 . 1 1 16 16 MET CB C 173 31.400 31.400 32.520 -1.120 18244 2791 1 7 . 1 1 16 16 MET H H 173 8.371 8.371 7.403 0.968 18244 2792 1 7 . 1 1 17 17 LYS N N 174 117.179 117.179 119.562 -2.383 18244 2793 1 7 . 1 1 17 17 LYS HA H 174 4.450 4.450 4.093 0.357 18244 2794 1 7 . 1 1 17 17 LYS C C 174 178.400 178.400 177.849 0.551 18244 2795 1 7 . 1 1 17 17 LYS CA C 174 55.800 55.800 58.996 -3.196 18244 2796 1 7 . 1 1 17 17 LYS CB C 174 33.600 33.600 32.931 0.669 18244 2797 1 7 . 1 1 17 17 LYS H H 174 7.798 7.798 7.587 0.211 18244 2798 1 7 . 1 1 18 18 VAL N N 175 135.773 135.773 118.056 17.717 18244 2799 1 7 . 1 1 18 18 VAL HA H 175 4.674 4.674 4.205 0.469 18244 2800 1 7 . 1 1 18 18 VAL C C 175 177.700 177.700 174.240 3.460 18244 2801 1 7 . 1 1 18 18 VAL CA C 175 60.100 60.100 61.436 -1.336 18244 2802 1 7 . 1 1 18 18 VAL CB C 175 33.200 33.200 29.319 3.881 18244 2803 1 7 . 1 1 18 18 VAL H H 175 6.894 6.894 8.210 -1.316 18244 2804 1 7 . 1 1 19 19 ALA N N 176 127.267 127.267 130.901 -3.634 18244 2805 1 7 . 1 1 19 19 ALA HA H 176 4.653 4.653 4.973 -0.320 18244 2806 1 7 . 1 1 19 19 ALA CA C 176 50.200 50.200 49.546 0.654 18244 2807 1 7 . 1 1 19 19 ALA CB C 176 18.800 18.800 21.201 -2.401 18244 2808 1 7 . 1 1 19 19 ALA H H 176 7.508 7.508 7.870 -0.362 18244 2809 1 7 . 1 1 20 20 PRO HA H 177 4.439 4.439 5.216 -0.777 18244 2810 1 7 . 1 1 20 20 PRO C C 177 179.700 179.700 175.872 3.828 18244 2811 1 7 . 1 1 20 20 PRO CA C 177 62.900 62.900 61.855 1.045 18244 2812 1 7 . 1 1 20 20 PRO CB C 177 31.400 31.400 32.833 -1.433 18244 2813 1 7 . 1 1 21 21 ILE N N 178 128.957 128.957 121.834 7.123 18244 2814 1 7 . 1 1 21 21 ILE HA H 178 3.571 3.571 3.800 -0.229 18244 2815 1 7 . 1 1 21 21 ILE CA C 178 59.700 59.700 58.615 1.085 18244 2816 1 7 . 1 1 21 21 ILE CB C 178 39.300 39.300 37.389 1.911 18244 2817 1 7 . 1 1 21 21 ILE H H 178 8.659 8.659 8.069 0.590 18244 2818 1 7 . 1 1 22 22 PRO HA H 179 4.298 4.298 4.421 -0.123 18244 2819 1 7 . 1 1 22 22 PRO C C 179 180.600 180.600 177.375 3.225 18244 2820 1 7 . 1 1 22 22 PRO CA C 179 62.900 62.900 62.046 0.854 18244 2821 1 7 . 1 1 22 22 PRO CB C 179 32.600 32.600 32.548 0.052 18244 2822 1 7 . 1 1 23 23 LYS N N 180 126.052 126.052 121.824 4.228 18244 2823 1 7 . 1 1 23 23 LYS HA H 180 3.848 3.848 3.950 -0.102 18244 2824 1 7 . 1 1 23 23 LYS C C 180 180.300 180.300 178.994 1.306 18244 2825 1 7 . 1 1 23 23 LYS CA C 180 60.200 60.200 59.938 0.262 18244 2826 1 7 . 1 1 23 23 LYS CB C 180 32.400 32.400 31.815 0.585 18244 2827 1 7 . 1 1 23 23 LYS H H 180 8.871 8.871 8.664 0.207 18244 2828 1 7 . 1 1 24 24 GLN N N 181 115.658 115.658 117.851 -2.193 18244 2829 1 7 . 1 1 24 24 GLN HA H 181 4.102 4.102 4.120 -0.018 18244 2830 1 7 . 1 1 24 24 GLN C C 181 179.000 179.000 178.303 0.697 18244 2831 1 7 . 1 1 24 24 GLN CA C 181 58.600 58.600 58.988 -0.388 18244 2832 1 7 . 1 1 24 24 GLN CB C 181 27.400 27.400 28.047 -0.647 18244 2833 1 7 . 1 1 24 24 GLN H H 181 9.038 9.038 8.726 0.312 18244 2834 1 7 . 1 1 25 25 LEU N N 182 117.088 117.088 119.473 -2.385 18244 2835 1 7 . 1 1 25 25 LEU HA H 182 4.231 4.231 4.199 0.032 18244 2836 1 7 . 1 1 25 25 LEU C C 182 180.300 180.300 179.147 1.153 18244 2837 1 7 . 1 1 25 25 LEU CA C 182 56.600 56.600 56.496 0.104 18244 2838 1 7 . 1 1 25 25 LEU CB C 182 40.900 40.900 42.042 -1.142 18244 2839 1 7 . 1 1 25 25 LEU H H 182 7.309 7.309 7.617 -0.308 18244 2840 1 7 . 1 1 26 26 LEU N N 183 120.917 120.917 121.398 -0.481 18244 2841 1 7 . 1 1 26 26 LEU HA H 183 3.699 3.699 3.887 -0.188 18244 2842 1 7 . 1 1 26 26 LEU C C 183 181.300 181.300 179.147 2.153 18244 2843 1 7 . 1 1 26 26 LEU CA C 183 57.900 57.900 57.770 0.130 18244 2844 1 7 . 1 1 26 26 LEU CB C 183 42.400 42.400 41.622 0.778 18244 2845 1 7 . 1 1 26 26 LEU H H 183 7.842 7.842 8.357 -0.515 18244 2846 1 7 . 1 1 27 27 GLN N N 184 112.112 112.112 116.527 -4.415 18244 2847 1 7 . 1 1 27 27 GLN HA H 184 4.082 4.082 4.191 -0.109 18244 2848 1 7 . 1 1 27 27 GLN C C 184 178.800 178.800 177.239 1.561 18244 2849 1 7 . 1 1 27 27 GLN CA C 184 57.300 57.300 57.020 0.280 18244 2850 1 7 . 1 1 27 27 GLN CB C 184 28.500 28.500 27.687 0.813 18244 2851 1 7 . 1 1 27 27 GLN H H 184 7.505 7.505 8.015 -0.510 18244 2852 1 7 . 1 1 28 28 ARG N N 185 116.659 116.659 117.688 -1.029 18244 2853 1 7 . 1 1 28 28 ARG HA H 185 4.187 4.187 4.369 -0.182 18244 2854 1 7 . 1 1 28 28 ARG C C 185 177.900 177.900 176.249 1.651 18244 2855 1 7 . 1 1 28 28 ARG CA C 185 56.600 56.600 56.481 0.119 18244 2856 1 7 . 1 1 28 28 ARG CB C 185 30.700 30.700 31.219 -0.519 18244 2857 1 7 . 1 1 28 28 ARG H H 185 7.488 7.488 7.500 -0.012 18244 2858 1 7 . 1 1 29 29 ILE N N 186 121.078 121.078 122.116 -1.038 18244 2859 1 7 . 1 1 29 29 ILE HA H 186 4.352 4.352 4.519 -0.167 18244 2860 1 7 . 1 1 29 29 ILE CA C 186 59.300 59.300 58.725 0.575 18244 2861 1 7 . 1 1 29 29 ILE CB C 186 37.800 37.800 37.948 -0.148 18244 2862 1 7 . 1 1 29 29 ILE H H 186 7.630 7.630 7.471 0.159 18244 2863 1 7 . 1 1 30 30 PRO HA H 187 4.256 4.256 4.724 -0.468 18244 2864 1 7 . 1 1 30 30 PRO C C 187 178.500 178.500 177.002 1.498 18244 2865 1 7 . 1 1 30 30 PRO CA C 187 64.100 64.100 62.008 2.092 18244 2866 1 7 . 1 1 30 30 PRO CB C 187 32.400 32.400 32.550 -0.150 18244 2867 1 7 . 1 1 31 31 ASN N N 188 110.335 110.335 115.633 -5.298 18244 2868 1 7 . 1 1 31 31 ASN HA H 188 4.398 4.398 4.483 -0.085 18244 2869 1 7 . 1 1 31 31 ASN C C 188 177.500 177.500 173.859 3.641 18244 2870 1 7 . 1 1 31 31 ASN CA C 188 54.400 54.400 54.169 0.231 18244 2871 1 7 . 1 1 31 31 ASN CB C 188 37.700 37.700 37.720 -0.020 18244 2872 1 7 . 1 1 31 31 ASN H H 188 8.464 8.464 8.952 -0.488 18244 2873 1 7 . 1 1 32 32 ILE N N 189 117.608 117.608 114.277 3.331 18244 2874 1 7 . 1 1 32 32 ILE HA H 189 4.416 4.416 4.603 -0.187 18244 2875 1 7 . 1 1 32 32 ILE CA C 189 58.100 58.100 58.045 0.055 18244 2876 1 7 . 1 1 32 32 ILE CB C 189 38.600 38.600 41.149 -2.549 18244 2877 1 7 . 1 1 32 32 ILE H H 189 7.325 7.325 7.273 0.052 18244 2878 1 7 . 1 1 33 33 PRO HA H 190 4.749 4.749 4.985 -0.236 18244 2879 1 7 . 1 1 33 33 PRO CA C 190 61.700 61.700 61.296 0.404 18244 2880 1 7 . 1 1 33 33 PRO CB C 190 31.000 31.000 31.273 -0.273 18244 2881 1 7 . 1 1 34 34 PRO HA H 191 4.391 4.391 4.308 0.083 18244 2882 1 7 . 1 1 34 34 PRO C C 191 178.600 178.600 177.232 1.368 18244 2883 1 7 . 1 1 34 34 PRO CA C 191 63.700 63.700 64.183 -0.483 18244 2884 1 7 . 1 1 34 34 PRO CB C 191 32.000 32.000 32.272 -0.272 18244 2885 1 7 . 1 1 35 35 ASN N N 192 112.827 112.827 114.414 -1.587 18244 2886 1 7 . 1 1 35 35 ASN HA H 192 4.456 4.456 4.513 -0.057 18244 2887 1 7 . 1 1 35 35 ASN C C 192 176.500 176.500 173.664 2.836 18244 2888 1 7 . 1 1 35 35 ASN CA C 192 53.700 53.700 54.038 -0.338 18244 2889 1 7 . 1 1 35 35 ASN CB C 192 37.300 37.300 38.744 -1.444 18244 2890 1 7 . 1 1 35 35 ASN H H 192 8.256 8.256 8.804 -0.548 18244 2891 1 7 . 1 1 36 36 ILE N N 193 119.133 119.133 112.584 6.549 18244 2892 1 7 . 1 1 36 36 ILE HA H 193 4.144 4.144 4.477 -0.333 18244 2893 1 7 . 1 1 36 36 ILE C C 193 177.200 177.200 174.297 2.903 18244 2894 1 7 . 1 1 36 36 ILE CA C 193 59.100 59.100 59.726 -0.626 18244 2895 1 7 . 1 1 36 36 ILE CB C 193 37.000 37.000 40.478 -3.478 18244 2896 1 7 . 1 1 36 36 ILE H H 193 7.166 7.166 7.333 -0.167 18244 2897 1 7 . 1 1 37 37 ASN N N 194 121.068 121.068 116.317 4.751 18244 2898 1 7 . 1 1 37 37 ASN HA H 194 4.667 4.667 4.751 -0.084 18244 2899 1 7 . 1 1 37 37 ASN C C 194 175.600 175.600 174.756 0.844 18244 2900 1 7 . 1 1 37 37 ASN CA C 194 53.400 53.400 53.399 0.001 18244 2901 1 7 . 1 1 37 37 ASN CB C 194 40.400 40.400 40.411 -0.011 18244 2902 1 7 . 1 1 37 37 ASN H H 194 8.764 8.764 8.496 0.268 18244 2903 1 7 . 1 1 38 38 THR N N 195 106.795 106.795 116.125 -9.330 18244 2904 1 7 . 1 1 38 38 THR HA H 195 4.924 4.924 4.404 0.520 18244 2905 1 7 . 1 1 38 38 THR C C 195 178.000 178.000 175.246 2.754 18244 2906 1 7 . 1 1 38 38 THR CA C 195 58.800 58.800 63.082 -4.282 18244 2907 1 7 . 1 1 38 38 THR CB C 195 73.500 73.500 69.010 4.490 18244 2908 1 7 . 1 1 38 38 THR H H 195 7.527 7.527 7.885 -0.358 18244 2909 1 7 . 1 1 39 39 TRP N N 196 123.744 123.744 127.804 -4.060 18244 2910 1 7 . 1 1 39 39 TRP HA H 196 4.533 4.533 4.220 0.313 18244 2911 1 7 . 1 1 39 39 TRP C C 196 182.300 182.300 178.549 3.751 18244 2912 1 7 . 1 1 39 39 TRP CA C 196 60.100 60.100 62.178 -2.078 18244 2913 1 7 . 1 1 39 39 TRP CB C 196 29.400 29.400 29.442 -0.042 18244 2914 1 7 . 1 1 39 39 TRP H H 196 10.363 10.363 9.072 1.291 18244 2915 1 7 . 1 1 40 40 GLN N N 197 120.207 120.207 115.378 4.829 18244 2916 1 7 . 1 1 40 40 GLN HA H 197 4.268 4.268 4.116 0.152 18244 2917 1 7 . 1 1 40 40 GLN C C 197 180.900 180.900 178.023 2.877 18244 2918 1 7 . 1 1 40 40 GLN CA C 197 59.500 59.500 59.050 0.450 18244 2919 1 7 . 1 1 40 40 GLN CB C 197 28.500 28.500 27.896 0.604 18244 2920 1 7 . 1 1 40 40 GLN H H 197 8.550 8.550 8.744 -0.194 18244 2921 1 7 . 1 1 41 41 GLN N N 198 118.163 118.163 116.954 1.209 18244 2922 1 7 . 1 1 41 41 GLN HA H 198 4.191 4.191 4.292 -0.101 18244 2923 1 7 . 1 1 41 41 GLN C C 198 181.500 181.500 178.224 3.276 18244 2924 1 7 . 1 1 41 41 GLN CA C 198 58.500 58.500 57.685 0.815 18244 2925 1 7 . 1 1 41 41 GLN CB C 198 30.400 30.400 29.376 1.024 18244 2926 1 7 . 1 1 41 41 GLN H H 198 7.594 7.594 7.748 -0.154 18244 2927 1 7 . 1 1 42 42 VAL N N 199 121.112 121.112 119.338 1.774 18244 2928 1 7 . 1 1 42 42 VAL HA H 199 3.479 3.479 3.816 -0.337 18244 2929 1 7 . 1 1 42 42 VAL C C 199 180.000 180.000 177.813 2.187 18244 2930 1 7 . 1 1 42 42 VAL CA C 199 67.500 67.500 65.761 1.739 18244 2931 1 7 . 1 1 42 42 VAL CB C 199 32.000 32.000 31.524 0.476 18244 2932 1 7 . 1 1 42 42 VAL H H 199 8.116 8.116 8.112 0.004 18244 2933 1 7 . 1 1 43 43 THR N N 200 113.870 113.870 114.065 -0.195 18244 2934 1 7 . 1 1 43 43 THR HA H 200 3.904 3.904 4.324 -0.420 18244 2935 1 7 . 1 1 43 43 THR C C 200 178.900 178.900 175.977 2.923 18244 2936 1 7 . 1 1 43 43 THR CA C 200 67.000 67.000 64.839 2.161 18244 2937 1 7 . 1 1 43 43 THR CB C 200 68.500 68.500 68.538 -0.038 18244 2938 1 7 . 1 1 43 43 THR H H 200 8.726 8.726 8.108 0.618 18244 2939 1 7 . 1 1 44 44 ALA N N 201 124.369 124.369 125.319 -0.950 18244 2940 1 7 . 1 1 44 44 ALA HA H 201 4.280 4.280 4.309 -0.029 18244 2941 1 7 . 1 1 44 44 ALA C C 201 182.700 182.700 179.410 3.290 18244 2942 1 7 . 1 1 44 44 ALA CA C 201 55.500 55.500 54.870 0.630 18244 2943 1 7 . 1 1 44 44 ALA CB C 201 17.900 17.900 18.042 -0.142 18244 2944 1 7 . 1 1 44 44 ALA H H 201 7.539 7.539 7.503 0.036 18244 2945 1 7 . 1 1 45 45 LEU N N 202 117.896 117.896 116.288 1.608 18244 2946 1 7 . 1 1 45 45 LEU HA H 202 4.068 4.068 4.584 -0.516 18244 2947 1 7 . 1 1 45 45 LEU C C 202 182.200 182.200 178.866 3.334 18244 2948 1 7 . 1 1 45 45 LEU CA C 202 58.100 58.100 57.085 1.015 18244 2949 1 7 . 1 1 45 45 LEU CB C 202 41.800 41.800 40.992 0.808 18244 2950 1 7 . 1 1 45 45 LEU H H 202 7.716 7.716 7.609 0.107 18244 2951 1 7 . 1 1 46 46 ALA N N 203 121.746 121.746 121.639 0.107 18244 2952 1 7 . 1 1 46 46 ALA HA H 203 4.184 4.184 4.173 0.011 18244 2953 1 7 . 1 1 46 46 ALA C C 203 184.300 184.300 179.451 4.849 18244 2954 1 7 . 1 1 46 46 ALA CA C 203 55.400 55.400 54.520 0.880 18244 2955 1 7 . 1 1 46 46 ALA CB C 203 18.100 18.100 18.210 -0.111 18244 2956 1 7 . 1 1 46 46 ALA H H 203 8.117 8.117 7.891 0.226 18244 2957 1 7 . 1 1 47 47 GLN N N 204 120.247 120.247 118.269 1.978 18244 2958 1 7 . 1 1 47 47 GLN HA H 204 4.088 4.088 4.116 -0.028 18244 2959 1 7 . 1 1 47 47 GLN C C 204 180.100 180.100 177.503 2.597 18244 2960 1 7 . 1 1 47 47 GLN CA C 204 58.900 58.900 57.756 1.144 18244 2961 1 7 . 1 1 47 47 GLN CB C 204 28.500 28.500 28.558 -0.058 18244 2962 1 7 . 1 1 47 47 GLN H H 204 8.515 8.515 7.738 0.777 18244 2963 1 7 . 1 1 48 48 GLN N N 205 116.167 116.167 117.025 -0.858 18244 2964 1 7 . 1 1 48 48 GLN HA H 205 4.290 4.290 4.318 -0.028 18244 2965 1 7 . 1 1 48 48 GLN C C 205 176.700 176.700 175.001 1.699 18244 2966 1 7 . 1 1 48 48 GLN CA C 205 55.900 55.900 55.617 0.283 18244 2967 1 7 . 1 1 48 48 GLN CB C 205 30.000 30.000 28.886 1.115 18244 2968 1 7 . 1 1 48 48 GLN H H 205 7.534 7.534 7.370 0.164 18244 2969 1 7 . 1 1 49 49 LYS N N 206 113.354 113.354 115.562 -2.208 18244 2970 1 7 . 1 1 49 49 LYS HA H 206 4.118 4.118 4.008 0.110 18244 2971 1 7 . 1 1 49 49 LYS C C 206 178.700 178.700 176.079 2.621 18244 2972 1 7 . 1 1 49 49 LYS CA C 206 57.500 57.500 57.321 0.179 18244 2973 1 7 . 1 1 49 49 LYS CB C 206 28.300 28.300 29.366 -1.066 18244 2974 1 7 . 1 1 49 49 LYS H H 206 7.957 7.957 7.798 0.159 18244 2975 1 7 . 1 1 50 50 LEU N N 207 116.944 116.944 116.687 0.257 18244 2976 1 7 . 1 1 50 50 LEU HA H 207 4.423 4.423 4.384 0.039 18244 2977 1 7 . 1 1 50 50 LEU C C 207 180.000 180.000 176.269 3.731 18244 2978 1 7 . 1 1 50 50 LEU CA C 207 55.300 55.300 54.414 0.886 18244 2979 1 7 . 1 1 50 50 LEU CB C 207 42.500 42.500 42.300 0.200 18244 2980 1 7 . 1 1 50 50 LEU H H 207 8.016 8.016 7.850 0.166 18244 2981 1 7 . 1 1 51 51 LEU N N 208 117.793 117.793 122.436 -4.643 18244 2982 1 7 . 1 1 51 51 LEU HA H 208 4.922 4.922 4.502 0.420 18244 2983 1 7 . 1 1 51 51 LEU C C 208 179.000 179.000 176.147 2.853 18244 2984 1 7 . 1 1 51 51 LEU CA C 208 53.400 53.400 53.905 -0.505 18244 2985 1 7 . 1 1 51 51 LEU CB C 208 44.500 44.500 42.255 2.245 18244 2986 1 7 . 1 1 51 51 LEU H H 208 7.109 7.109 7.767 -0.658 18244 2987 1 7 . 1 1 52 52 THR N N 209 115.695 115.695 119.236 -3.541 18244 2988 1 7 . 1 1 52 52 THR HA H 209 4.623 4.623 4.899 -0.276 18244 2989 1 7 . 1 1 52 52 THR CA C 209 60.700 60.700 59.067 1.633 18244 2990 1 7 . 1 1 52 52 THR CB C 209 69.000 69.000 69.527 -0.527 18244 2991 1 7 . 1 1 52 52 THR H H 209 9.460 9.460 9.400 0.060 18244 2992 1 7 . 1 1 53 53 PRO HA H 210 4.275 4.275 4.123 0.152 18244 2993 1 7 . 1 1 53 53 PRO C C 210 181.700 181.700 178.672 3.028 18244 2994 1 7 . 1 1 53 53 PRO CA C 210 66.000 66.000 65.711 0.289 18244 2995 1 7 . 1 1 53 53 PRO CB C 210 31.600 31.600 31.757 -0.157 18244 2996 1 7 . 1 1 54 54 GLN N N 211 116.837 116.837 116.492 0.345 18244 2997 1 7 . 1 1 54 54 GLN HA H 211 4.119 4.119 4.083 0.036 18244 2998 1 7 . 1 1 54 54 GLN C C 211 181.500 181.500 178.272 3.228 18244 2999 1 7 . 1 1 54 54 GLN CA C 211 59.800 59.800 59.026 0.774 18244 3000 1 7 . 1 1 54 54 GLN CB C 211 28.100 28.100 28.307 -0.207 18244 3001 1 7 . 1 1 54 54 GLN H H 211 8.229 8.229 8.698 -0.469 18244 3002 1 7 . 1 1 55 55 ASP N N 212 123.621 123.621 120.218 3.403 18244 3003 1 7 . 1 1 55 55 ASP HA H 212 4.353 4.353 4.482 -0.129 18244 3004 1 7 . 1 1 55 55 ASP C C 212 181.100 181.100 178.462 2.638 18244 3005 1 7 . 1 1 55 55 ASP CA C 212 57.900 57.900 56.722 1.178 18244 3006 1 7 . 1 1 55 55 ASP CB C 212 41.700 41.700 40.718 0.982 18244 3007 1 7 . 1 1 55 55 ASP H H 212 7.957 7.957 7.557 0.400 18244 3008 1 7 . 1 1 56 56 MET N N 213 117.263 117.263 119.486 -2.223 18244 3009 1 7 . 1 1 56 56 MET HA H 213 4.380 4.380 4.077 0.303 18244 3010 1 7 . 1 1 56 56 MET C C 213 181.000 181.000 178.530 2.470 18244 3011 1 7 . 1 1 56 56 MET CA C 213 57.100 57.100 59.735 -2.635 18244 3012 1 7 . 1 1 56 56 MET CB C 213 31.200 31.200 32.542 -1.342 18244 3013 1 7 . 1 1 56 56 MET H H 213 8.314 8.314 8.257 0.057 18244 3014 1 7 . 1 1 57 57 GLU N N 214 120.570 120.570 117.608 2.962 18244 3015 1 7 . 1 1 57 57 GLU HA H 214 4.085 4.085 4.135 -0.050 18244 3016 1 7 . 1 1 57 57 GLU C C 214 181.700 181.700 177.684 4.016 18244 3017 1 7 . 1 1 57 57 GLU CA C 214 59.500 59.500 58.934 0.566 18244 3018 1 7 . 1 1 57 57 GLU CB C 214 29.300 29.300 29.243 0.057 18244 3019 1 7 . 1 1 57 57 GLU H H 214 8.039 8.039 8.021 0.018 18244 3020 1 7 . 1 1 58 58 ALA N N 215 121.915 121.915 120.519 1.396 18244 3021 1 7 . 1 1 58 58 ALA HA H 215 4.361 4.361 4.417 -0.056 18244 3022 1 7 . 1 1 58 58 ALA C C 215 182.800 182.800 179.068 3.732 18244 3023 1 7 . 1 1 58 58 ALA CA C 215 55.100 55.100 54.073 1.027 18244 3024 1 7 . 1 1 58 58 ALA CB C 215 18.500 18.500 19.111 -0.611 18244 3025 1 7 . 1 1 58 58 ALA H H 215 7.571 7.571 7.549 0.022 18244 3026 1 7 . 1 1 59 59 ALA N N 216 120.749 120.749 122.150 -1.401 18244 3027 1 7 . 1 1 59 59 ALA HA H 216 4.137 4.137 4.121 0.016 18244 3028 1 7 . 1 1 59 59 ALA C C 216 180.800 180.800 179.131 1.669 18244 3029 1 7 . 1 1 59 59 ALA CA C 216 55.700 55.700 55.075 0.625 18244 3030 1 7 . 1 1 59 59 ALA CB C 216 18.100 18.100 18.758 -0.658 18244 3031 1 7 . 1 1 59 59 ALA H H 216 8.728 8.728 8.309 0.419 18244 3032 1 7 . 1 1 60 60 LYS N N 217 117.415 117.415 117.186 0.229 18244 3033 1 7 . 1 1 60 60 LYS HA H 217 3.700 3.700 4.068 -0.368 18244 3034 1 7 . 1 1 60 60 LYS C C 217 181.300 181.300 178.990 2.310 18244 3035 1 7 . 1 1 60 60 LYS CA C 217 60.200 60.200 58.992 1.208 18244 3036 1 7 . 1 1 60 60 LYS CB C 217 32.600 32.600 32.027 0.573 18244 3037 1 7 . 1 1 60 60 LYS H H 217 8.292 8.292 8.162 0.130 18244 3038 1 7 . 1 1 61 61 GLN N N 218 118.499 118.499 119.453 -0.954 18244 3039 1 7 . 1 1 61 61 GLN HA H 218 4.171 4.171 4.138 0.033 18244 3040 1 7 . 1 1 61 61 GLN C C 218 181.500 181.500 177.954 3.546 18244 3041 1 7 . 1 1 61 61 GLN CA C 218 59.200 59.200 59.029 0.171 18244 3042 1 7 . 1 1 61 61 GLN CB C 218 29.400 29.400 28.417 0.983 18244 3043 1 7 . 1 1 61 61 GLN H H 218 7.401 7.401 7.542 -0.141 18244 3044 1 7 . 1 1 62 62 VAL N N 219 119.685 119.685 119.418 0.267 18244 3045 1 7 . 1 1 62 62 VAL HA H 219 3.746 3.746 3.778 -0.032 18244 3046 1 7 . 1 1 62 62 VAL C C 219 179.400 179.400 178.014 1.386 18244 3047 1 7 . 1 1 62 62 VAL CA C 219 66.800 66.800 66.089 0.711 18244 3048 1 7 . 1 1 62 62 VAL CB C 219 31.900 31.900 31.388 0.512 18244 3049 1 7 . 1 1 62 62 VAL H H 219 8.036 8.036 7.616 0.420 18244 3050 1 7 . 1 1 63 63 TYR N N 220 123.794 123.794 120.923 2.871 18244 3051 1 7 . 1 1 63 63 TYR HA H 220 3.725 3.725 4.383 -0.658 18244 3052 1 7 . 1 1 63 63 TYR C C 220 179.300 179.300 177.594 1.706 18244 3053 1 7 . 1 1 63 63 TYR CA C 220 62.200 62.200 61.943 0.257 18244 3054 1 7 . 1 1 63 63 TYR CB C 220 38.000 38.000 38.338 -0.338 18244 3055 1 7 . 1 1 63 63 TYR H H 220 8.802 8.802 7.990 0.812 18244 3056 1 7 . 1 1 64 64 LYS N N 221 117.772 117.772 119.058 -1.286 18244 3057 1 7 . 1 1 64 64 LYS HA H 221 3.864 3.864 3.962 -0.098 18244 3058 1 7 . 1 1 64 64 LYS C C 221 181.700 181.700 179.009 2.691 18244 3059 1 7 . 1 1 64 64 LYS CA C 221 59.800 59.800 60.112 -0.312 18244 3060 1 7 . 1 1 64 64 LYS CB C 221 32.200 32.200 32.193 0.007 18244 3061 1 7 . 1 1 64 64 LYS H H 221 7.452 7.452 7.753 -0.301 18244 3062 1 7 . 1 1 65 65 ILE N N 222 119.985 119.985 118.113 1.872 18244 3063 1 7 . 1 1 65 65 ILE HA H 222 3.757 3.757 3.814 -0.057 18244 3064 1 7 . 1 1 65 65 ILE C C 222 180.700 180.700 177.826 2.874 18244 3065 1 7 . 1 1 65 65 ILE CA C 222 65.000 65.000 64.156 0.844 18244 3066 1 7 . 1 1 65 65 ILE CB C 222 38.200 38.200 37.713 0.487 18244 3067 1 7 . 1 1 65 65 ILE H H 222 7.673 7.673 7.480 0.193 18244 3068 1 7 . 1 1 66 66 HIS N N 223 121.506 121.506 119.847 1.659 18244 3069 1 7 . 1 1 66 66 HIS HA H 223 4.343 4.343 4.135 0.208 18244 3070 1 7 . 1 1 66 66 HIS C C 223 179.400 179.400 177.305 2.095 18244 3071 1 7 . 1 1 66 66 HIS CA C 223 57.500 57.500 59.322 -1.822 18244 3072 1 7 . 1 1 66 66 HIS CB C 223 32.800 32.800 30.463 2.337 18244 3073 1 7 . 1 1 66 66 HIS H H 223 8.943 8.943 8.337 0.606 18244 3074 1 7 . 1 1 67 67 GLN N N 224 117.421 117.421 118.581 -1.160 18244 3075 1 7 . 1 1 67 67 GLN HA H 224 3.720 3.720 3.736 -0.016 18244 3076 1 7 . 1 1 67 67 GLN C C 224 180.200 180.200 178.546 1.654 18244 3077 1 7 . 1 1 67 67 GLN CA C 224 59.800 59.800 58.475 1.325 18244 3078 1 7 . 1 1 67 67 GLN CB C 224 29.500 29.500 28.345 1.155 18244 3079 1 7 . 1 1 67 67 GLN H H 224 8.526 8.526 8.283 0.243 18244 3080 1 7 . 1 1 68 68 GLN N N 225 117.385 117.385 117.513 -0.128 18244 3081 1 7 . 1 1 68 68 GLN HA H 225 4.017 4.017 4.218 -0.201 18244 3082 1 7 . 1 1 68 68 GLN C C 225 181.100 181.100 178.460 2.640 18244 3083 1 7 . 1 1 68 68 GLN CA C 225 59.200 59.200 57.709 1.491 18244 3084 1 7 . 1 1 68 68 GLN CB C 225 28.400 28.400 28.219 0.181 18244 3085 1 7 . 1 1 68 68 GLN H H 225 7.673 7.673 7.727 -0.054 18244 3086 1 7 . 1 1 69 69 LEU N N 226 120.608 120.608 120.656 -0.048 18244 3087 1 7 . 1 1 69 69 LEU HA H 226 4.126 4.126 4.172 -0.046 18244 3088 1 7 . 1 1 69 69 LEU C C 226 182.700 182.700 178.305 4.395 18244 3089 1 7 . 1 1 69 69 LEU CA C 226 58.200 58.200 57.753 0.447 18244 3090 1 7 . 1 1 69 69 LEU CB C 226 42.000 42.000 41.980 0.020 18244 3091 1 7 . 1 1 69 69 LEU H H 226 8.227 8.227 7.408 0.819 18244 3092 1 7 . 1 1 70 70 LEU N N 227 120.607 120.607 117.943 2.664 18244 3093 1 7 . 1 1 70 70 LEU HA H 227 4.108 4.108 4.046 0.062 18244 3094 1 7 . 1 1 70 70 LEU C C 227 181.900 181.900 178.928 2.972 18244 3095 1 7 . 1 1 70 70 LEU CA C 227 57.700 57.700 57.001 0.699 18244 3096 1 7 . 1 1 70 70 LEU CB C 227 41.900 41.900 41.785 0.115 18244 3097 1 7 . 1 1 70 70 LEU H H 227 8.273 8.273 7.136 1.137 18244 3098 1 7 . 1 1 71 71 PHE N N 228 119.975 119.975 120.587 -0.612 18244 3099 1 7 . 1 1 71 71 PHE HA H 228 4.315 4.315 4.041 0.274 18244 3100 1 7 . 1 1 71 71 PHE C C 228 180.100 180.100 177.057 3.043 18244 3101 1 7 . 1 1 71 71 PHE CA C 228 60.200 60.200 61.633 -1.433 18244 3102 1 7 . 1 1 71 71 PHE CB C 228 39.000 39.000 39.192 -0.192 18244 3103 1 7 . 1 1 71 71 PHE H H 228 8.469 8.469 8.122 0.347 18244 3104 1 7 . 1 1 72 72 LYS N N 229 119.148 119.148 118.089 1.059 18244 3105 1 7 . 1 1 72 72 LYS HA H 229 4.012 4.012 3.690 0.322 18244 3106 1 7 . 1 1 72 72 LYS C C 229 180.400 180.400 178.479 1.921 18244 3107 1 7 . 1 1 72 72 LYS CA C 229 58.800 58.800 59.504 -0.704 18244 3108 1 7 . 1 1 72 72 LYS CB C 229 32.300 32.300 32.097 0.203 18244 3109 1 7 . 1 1 72 72 LYS H H 229 8.143 8.143 8.366 -0.223 18244 3110 1 7 . 1 1 73 73 ALA N N 230 121.483 121.483 119.169 2.314 18244 3111 1 7 . 1 1 73 73 ALA HA H 230 4.224 4.224 4.106 0.118 18244 3112 1 7 . 1 1 73 73 ALA C C 230 181.600 181.600 178.808 2.792 18244 3113 1 7 . 1 1 73 73 ALA CA C 230 54.200 54.200 54.395 -0.195 18244 3114 1 7 . 1 1 73 73 ALA CB C 230 18.500 18.500 18.421 0.079 18244 3115 1 7 . 1 1 73 73 ALA H H 230 7.886 7.886 7.571 0.315 18244 3116 1 7 . 1 1 74 74 ARG N N 231 118.073 118.073 117.305 0.768 18244 3117 1 7 . 1 1 74 74 ARG HA H 231 4.189 4.189 4.180 0.009 18244 3118 1 7 . 1 1 74 74 ARG C C 231 179.900 179.900 177.540 2.360 18244 3119 1 7 . 1 1 74 74 ARG CA C 231 57.600 57.600 57.583 0.017 18244 3120 1 7 . 1 1 74 74 ARG CB C 231 30.100 30.100 30.583 -0.483 18244 3121 1 7 . 1 1 74 74 ARG H H 231 7.849 7.849 7.445 0.404 18244 3122 1 7 . 1 1 75 75 LEU N N 232 120.575 120.575 120.983 -0.408 18244 3123 1 7 . 1 1 75 75 LEU HA H 232 4.181 4.181 4.101 0.080 18244 3124 1 7 . 1 1 75 75 LEU C C 232 180.600 180.600 177.026 3.574 18244 3125 1 7 . 1 1 75 75 LEU CA C 232 56.400 56.400 56.436 -0.036 18244 3126 1 7 . 1 1 75 75 LEU CB C 232 42.000 42.000 42.770 -0.770 18244 3127 1 7 . 1 1 75 75 LEU H H 232 7.847 7.847 7.304 0.543 18244 3128 1 7 . 1 1 76 76 GLN N N 233 118.890 118.890 118.354 0.536 18244 3129 1 7 . 1 1 76 76 GLN HA H 233 4.220 4.220 4.169 0.051 18244 3130 1 7 . 1 1 76 76 GLN C C 233 179.100 179.100 176.198 2.902 18244 3131 1 7 . 1 1 76 76 GLN CA C 233 56.900 56.900 55.971 0.930 18244 3132 1 7 . 1 1 76 76 GLN CB C 233 29.000 29.000 28.077 0.923 18244 3133 1 7 . 1 1 76 76 GLN H H 233 8.008 8.008 8.039 -0.031 18244 3134 1 7 . 1 1 77 77 GLN N N 234 119.836 119.836 122.917 -3.081 18244 3135 1 7 . 1 1 77 77 GLN HA H 234 4.263 4.263 4.459 -0.196 18244 3136 1 7 . 1 1 77 77 GLN C C 234 178.700 178.700 176.835 1.865 18244 3137 1 7 . 1 1 77 77 GLN CA C 234 56.700 56.700 56.325 0.374 18244 3138 1 7 . 1 1 77 77 GLN CB C 234 29.100 29.100 29.226 -0.126 18244 3139 1 7 . 1 1 77 77 GLN H H 234 8.078 8.078 8.711 -0.633 18244 3140 1 7 . 1 1 78 78 GLN N N 235 120.341 120.341 118.205 2.136 18244 3141 1 7 . 1 1 78 78 GLN HA H 235 4.288 4.288 4.345 -0.057 18244 3142 1 7 . 1 1 78 78 GLN C C 235 178.400 178.400 176.321 2.079 18244 3143 1 7 . 1 1 78 78 GLN CA C 235 56.400 56.400 57.034 -0.634 18244 3144 1 7 . 1 1 78 78 GLN CB C 235 29.300 29.300 30.325 -1.025 18244 3145 1 7 . 1 1 78 78 GLN H H 235 8.226 8.226 8.056 0.170 18244 3146 1 7 . 1 1 79 79 GLN N N 236 120.708 120.708 118.561 2.147 18244 3147 1 7 . 1 1 79 79 GLN HA H 236 4.316 4.316 4.565 -0.249 18244 3148 1 7 . 1 1 79 79 GLN C C 236 177.800 177.800 175.018 2.782 18244 3149 1 7 . 1 1 79 79 GLN CA C 236 55.900 55.900 54.211 1.689 18244 3150 1 7 . 1 1 79 79 GLN CB C 236 29.500 29.500 31.048 -1.548 18244 3151 1 7 . 1 1 79 79 GLN H H 236 8.253 8.253 8.461 -0.208 18244 3152 1 7 . 1 1 80 80 ALA N N 237 125.698 125.698 122.606 3.092 18244 3153 1 7 . 1 1 80 80 ALA HA H 237 4.336 4.336 4.467 -0.131 18244 3154 1 7 . 1 1 80 80 ALA C C 237 179.000 179.000 176.850 2.150 18244 3155 1 7 . 1 1 80 80 ALA CA C 237 52.800 52.800 51.275 1.525 18244 3156 1 7 . 1 1 80 80 ALA CB C 237 19.300 19.300 20.297 -0.997 18244 3157 1 7 . 1 1 80 80 ALA H H 237 8.237 8.237 8.446 -0.209 18244 3158 1 8 . 1 1 2 2 ARG HA H 159 4.353 4.353 4.512 -0.159 18244 3159 1 8 . 1 1 2 2 ARG C C 159 178.200 178.200 176.216 1.984 18244 3160 1 8 . 1 1 2 2 ARG CA C 159 56.300 56.300 57.011 -0.711 18244 3161 1 8 . 1 1 2 2 ARG CB C 159 30.900 30.900 30.687 0.213 18244 3162 1 8 . 1 1 3 3 ARG N N 160 123.623 123.623 121.742 1.881 18244 3163 1 8 . 1 1 3 3 ARG HA H 160 4.306 4.306 4.413 -0.107 18244 3164 1 8 . 1 1 3 3 ARG C C 160 178.000 178.000 175.408 2.592 18244 3165 1 8 . 1 1 3 3 ARG CA C 160 56.100 56.100 55.762 0.338 18244 3166 1 8 . 1 1 3 3 ARG CB C 160 31.000 31.000 31.069 -0.069 18244 3167 1 8 . 1 1 3 3 ARG H H 160 8.558 8.558 8.055 0.503 18244 3168 1 8 . 1 1 4 4 GLN N N 161 122.962 122.962 122.505 0.457 18244 3169 1 8 . 1 1 4 4 GLN HA H 161 4.355 4.355 4.433 -0.078 18244 3170 1 8 . 1 1 4 4 GLN C C 161 177.900 177.900 174.725 3.175 18244 3171 1 8 . 1 1 4 4 GLN CA C 161 55.500 55.500 55.276 0.223 18244 3172 1 8 . 1 1 4 4 GLN CB C 161 29.600 29.600 29.983 -0.383 18244 3173 1 8 . 1 1 4 4 GLN H H 161 8.515 8.515 8.392 0.123 18244 3174 1 8 . 1 1 5 5 LEU N N 162 124.755 124.755 124.170 0.585 18244 3175 1 8 . 1 1 5 5 LEU HA H 162 4.577 4.577 4.634 -0.057 18244 3176 1 8 . 1 1 5 5 LEU C C 162 180.500 180.500 176.650 3.850 18244 3177 1 8 . 1 1 5 5 LEU CA C 162 54.700 54.700 54.072 0.628 18244 3178 1 8 . 1 1 5 5 LEU CB C 162 42.900 42.900 42.350 0.550 18244 3179 1 8 . 1 1 5 5 LEU H H 162 8.480 8.480 8.387 0.093 18244 3180 1 8 . 1 1 6 6 THR N N 163 114.727 114.727 119.624 -4.897 18244 3181 1 8 . 1 1 6 6 THR HA H 163 4.596 4.596 4.622 -0.026 18244 3182 1 8 . 1 1 6 6 THR CA C 163 60.200 60.200 60.283 -0.083 18244 3183 1 8 . 1 1 6 6 THR CB C 163 68.200 68.200 69.363 -1.163 18244 3184 1 8 . 1 1 6 6 THR H H 163 8.623 8.623 8.286 0.337 18244 3185 1 8 . 1 1 7 7 PRO HA H 164 4.263 4.263 4.162 0.101 18244 3186 1 8 . 1 1 7 7 PRO C C 164 181.600 181.600 178.943 2.657 18244 3187 1 8 . 1 1 7 7 PRO CA C 164 65.900 65.900 65.492 0.409 18244 3188 1 8 . 1 1 7 7 PRO CB C 164 31.600 31.600 31.857 -0.257 18244 3189 1 8 . 1 1 8 8 GLN N N 165 116.429 116.429 116.392 0.037 18244 3190 1 8 . 1 1 8 8 GLN HA H 165 4.063 4.063 4.104 -0.041 18244 3191 1 8 . 1 1 8 8 GLN C C 165 181.300 181.300 178.318 2.982 18244 3192 1 8 . 1 1 8 8 GLN CA C 165 59.500 59.500 58.972 0.528 18244 3193 1 8 . 1 1 8 8 GLN CB C 165 28.300 28.300 28.017 0.283 18244 3194 1 8 . 1 1 8 8 GLN H H 165 8.439 8.439 8.812 -0.373 18244 3195 1 8 . 1 1 9 9 GLN N N 166 120.164 120.164 118.173 1.991 18244 3196 1 8 . 1 1 9 9 GLN HA H 166 3.948 3.948 4.173 -0.225 18244 3197 1 8 . 1 1 9 9 GLN C C 166 180.600 180.600 178.126 2.474 18244 3198 1 8 . 1 1 9 9 GLN CA C 166 58.700 58.700 58.171 0.529 18244 3199 1 8 . 1 1 9 9 GLN CB C 166 29.300 29.300 28.651 0.649 18244 3200 1 8 . 1 1 9 9 GLN H H 166 7.760 7.760 7.500 0.260 18244 3201 1 8 . 1 1 10 10 GLN N N 167 119.164 119.164 120.183 -1.019 18244 3202 1 8 . 1 1 10 10 GLN HA H 167 3.860 3.860 3.943 -0.083 18244 3203 1 8 . 1 1 10 10 GLN C C 167 180.300 180.300 178.555 1.745 18244 3204 1 8 . 1 1 10 10 GLN CA C 167 58.600 58.600 59.048 -0.448 18244 3205 1 8 . 1 1 10 10 GLN CB C 167 29.000 29.000 28.643 0.357 18244 3206 1 8 . 1 1 10 10 GLN H H 167 8.787 8.787 8.440 0.347 18244 3207 1 8 . 1 1 11 11 GLN N N 168 118.139 118.139 117.822 0.317 18244 3208 1 8 . 1 1 11 11 GLN HA H 168 4.111 4.111 4.102 0.009 18244 3209 1 8 . 1 1 11 11 GLN C C 168 180.600 180.600 178.704 1.896 18244 3210 1 8 . 1 1 11 11 GLN CA C 168 58.900 58.900 58.349 0.552 18244 3211 1 8 . 1 1 11 11 GLN CB C 168 28.500 28.500 28.469 0.031 18244 3212 1 8 . 1 1 11 11 GLN H H 168 7.987 7.987 7.963 0.024 18244 3213 1 8 . 1 1 12 12 LEU N N 169 120.649 120.649 119.132 1.517 18244 3214 1 8 . 1 1 12 12 LEU HA H 169 4.138 4.138 4.113 0.025 18244 3215 1 8 . 1 1 12 12 LEU C C 169 181.300 181.300 178.589 2.711 18244 3216 1 8 . 1 1 12 12 LEU CA C 169 58.100 58.100 57.794 0.306 18244 3217 1 8 . 1 1 12 12 LEU CB C 169 41.600 41.600 41.494 0.106 18244 3218 1 8 . 1 1 12 12 LEU H H 169 7.457 7.457 7.574 -0.117 18244 3219 1 8 . 1 1 13 13 VAL N N 170 119.772 119.772 116.385 3.387 18244 3220 1 8 . 1 1 13 13 VAL HA H 170 3.570 3.570 3.757 -0.187 18244 3221 1 8 . 1 1 13 13 VAL C C 170 180.700 180.700 177.280 3.420 18244 3222 1 8 . 1 1 13 13 VAL CA C 170 66.700 66.700 65.300 1.400 18244 3223 1 8 . 1 1 13 13 VAL CB C 170 31.700 31.700 31.053 0.647 18244 3224 1 8 . 1 1 13 13 VAL H H 170 8.101 8.101 7.370 0.731 18244 3225 1 8 . 1 1 14 14 ASN N N 171 118.278 118.278 115.592 2.686 18244 3226 1 8 . 1 1 14 14 ASN HA H 171 4.454 4.454 4.582 -0.128 18244 3227 1 8 . 1 1 14 14 ASN C C 171 180.800 180.800 177.284 3.516 18244 3228 1 8 . 1 1 14 14 ASN CA C 171 56.000 56.000 55.278 0.722 18244 3229 1 8 . 1 1 14 14 ASN CB C 171 37.600 37.600 38.759 -1.159 18244 3230 1 8 . 1 1 14 14 ASN H H 171 8.253 8.253 7.749 0.504 18244 3231 1 8 . 1 1 15 15 GLN N N 172 120.079 120.079 117.885 2.194 18244 3232 1 8 . 1 1 15 15 GLN HA H 172 4.152 4.152 4.226 -0.074 18244 3233 1 8 . 1 1 15 15 GLN C C 172 181.100 181.100 177.333 3.767 18244 3234 1 8 . 1 1 15 15 GLN CA C 172 58.600 58.600 57.932 0.668 18244 3235 1 8 . 1 1 15 15 GLN CB C 172 28.800 28.800 28.798 0.002 18244 3236 1 8 . 1 1 15 15 GLN H H 172 8.112 8.112 7.324 0.788 18244 3237 1 8 . 1 1 16 16 MET N N 173 118.323 118.323 117.336 0.987 18244 3238 1 8 . 1 1 16 16 MET HA H 173 4.266 4.266 4.386 -0.120 18244 3239 1 8 . 1 1 16 16 MET C C 173 180.300 180.300 175.793 4.507 18244 3240 1 8 . 1 1 16 16 MET CA C 173 57.300 57.300 56.142 1.158 18244 3241 1 8 . 1 1 16 16 MET CB C 173 31.400 31.400 31.683 -0.283 18244 3242 1 8 . 1 1 16 16 MET H H 173 8.371 8.371 7.810 0.561 18244 3243 1 8 . 1 1 17 17 LYS N N 174 117.179 117.179 120.723 -3.544 18244 3244 1 8 . 1 1 17 17 LYS HA H 174 4.450 4.450 4.601 -0.151 18244 3245 1 8 . 1 1 17 17 LYS C C 174 178.400 178.400 177.673 0.727 18244 3246 1 8 . 1 1 17 17 LYS CA C 174 55.800 55.800 56.853 -1.053 18244 3247 1 8 . 1 1 17 17 LYS CB C 174 33.600 33.600 33.956 -0.356 18244 3248 1 8 . 1 1 17 17 LYS H H 174 7.798 7.798 7.616 0.182 18244 3249 1 8 . 1 1 18 18 VAL N N 175 135.773 135.773 120.195 15.578 18244 3250 1 8 . 1 1 18 18 VAL HA H 175 4.674 4.674 4.268 0.406 18244 3251 1 8 . 1 1 18 18 VAL C C 175 177.700 177.700 174.892 2.808 18244 3252 1 8 . 1 1 18 18 VAL CA C 175 60.100 60.100 61.184 -1.084 18244 3253 1 8 . 1 1 18 18 VAL CB C 175 33.200 33.200 29.809 3.391 18244 3254 1 8 . 1 1 18 18 VAL H H 175 6.894 6.894 8.354 -1.460 18244 3255 1 8 . 1 1 19 19 ALA N N 176 127.267 127.267 131.445 -4.178 18244 3256 1 8 . 1 1 19 19 ALA HA H 176 4.653 4.653 4.941 -0.288 18244 3257 1 8 . 1 1 19 19 ALA CA C 176 50.200 50.200 49.801 0.399 18244 3258 1 8 . 1 1 19 19 ALA CB C 176 18.800 18.800 21.209 -2.409 18244 3259 1 8 . 1 1 19 19 ALA H H 176 7.508 7.508 7.883 -0.375 18244 3260 1 8 . 1 1 20 20 PRO HA H 177 4.439 4.439 4.988 -0.549 18244 3261 1 8 . 1 1 20 20 PRO C C 177 179.700 179.700 175.867 3.833 18244 3262 1 8 . 1 1 20 20 PRO CA C 177 62.900 62.900 61.726 1.174 18244 3263 1 8 . 1 1 20 20 PRO CB C 177 31.400 31.400 32.668 -1.268 18244 3264 1 8 . 1 1 21 21 ILE N N 178 128.957 128.957 121.969 6.988 18244 3265 1 8 . 1 1 21 21 ILE HA H 178 3.571 3.571 3.662 -0.091 18244 3266 1 8 . 1 1 21 21 ILE CA C 178 59.700 59.700 60.008 -0.308 18244 3267 1 8 . 1 1 21 21 ILE CB C 178 39.300 39.300 36.661 2.639 18244 3268 1 8 . 1 1 21 21 ILE H H 178 8.659 8.659 8.111 0.548 18244 3269 1 8 . 1 1 22 22 PRO HA H 179 4.298 4.298 4.280 0.018 18244 3270 1 8 . 1 1 22 22 PRO C C 179 180.600 180.600 176.931 3.669 18244 3271 1 8 . 1 1 22 22 PRO CA C 179 62.900 62.900 62.375 0.525 18244 3272 1 8 . 1 1 22 22 PRO CB C 179 32.600 32.600 32.357 0.243 18244 3273 1 8 . 1 1 23 23 LYS N N 180 126.052 126.052 122.479 3.573 18244 3274 1 8 . 1 1 23 23 LYS HA H 180 3.848 3.848 3.837 0.011 18244 3275 1 8 . 1 1 23 23 LYS C C 180 180.300 180.300 178.973 1.327 18244 3276 1 8 . 1 1 23 23 LYS CA C 180 60.200 60.200 60.498 -0.298 18244 3277 1 8 . 1 1 23 23 LYS CB C 180 32.400 32.400 32.173 0.227 18244 3278 1 8 . 1 1 23 23 LYS H H 180 8.871 8.871 8.445 0.426 18244 3279 1 8 . 1 1 24 24 GLN N N 181 115.658 115.658 117.235 -1.577 18244 3280 1 8 . 1 1 24 24 GLN HA H 181 4.102 4.102 4.082 0.020 18244 3281 1 8 . 1 1 24 24 GLN C C 181 179.000 179.000 178.107 0.893 18244 3282 1 8 . 1 1 24 24 GLN CA C 181 58.600 58.600 58.529 0.071 18244 3283 1 8 . 1 1 24 24 GLN CB C 181 27.400 27.400 28.358 -0.958 18244 3284 1 8 . 1 1 24 24 GLN H H 181 9.038 9.038 8.597 0.441 18244 3285 1 8 . 1 1 25 25 LEU N N 182 117.088 117.088 119.614 -2.526 18244 3286 1 8 . 1 1 25 25 LEU HA H 182 4.231 4.231 4.209 0.022 18244 3287 1 8 . 1 1 25 25 LEU C C 182 180.300 180.300 179.198 1.102 18244 3288 1 8 . 1 1 25 25 LEU CA C 182 56.600 56.600 56.346 0.254 18244 3289 1 8 . 1 1 25 25 LEU CB C 182 40.900 40.900 41.992 -1.093 18244 3290 1 8 . 1 1 25 25 LEU H H 182 7.309 7.309 7.535 -0.226 18244 3291 1 8 . 1 1 26 26 LEU N N 183 120.917 120.917 121.085 -0.168 18244 3292 1 8 . 1 1 26 26 LEU HA H 183 3.699 3.699 3.951 -0.252 18244 3293 1 8 . 1 1 26 26 LEU C C 183 181.300 181.300 179.003 2.297 18244 3294 1 8 . 1 1 26 26 LEU CA C 183 57.900 57.900 57.597 0.303 18244 3295 1 8 . 1 1 26 26 LEU CB C 183 42.400 42.400 41.589 0.811 18244 3296 1 8 . 1 1 26 26 LEU H H 183 7.842 7.842 7.914 -0.072 18244 3297 1 8 . 1 1 27 27 GLN N N 184 112.112 112.112 116.251 -4.139 18244 3298 1 8 . 1 1 27 27 GLN HA H 184 4.082 4.082 4.200 -0.118 18244 3299 1 8 . 1 1 27 27 GLN C C 184 178.800 178.800 177.197 1.603 18244 3300 1 8 . 1 1 27 27 GLN CA C 184 57.300 57.300 57.268 0.032 18244 3301 1 8 . 1 1 27 27 GLN CB C 184 28.500 28.500 27.707 0.793 18244 3302 1 8 . 1 1 27 27 GLN H H 184 7.505 7.505 7.817 -0.312 18244 3303 1 8 . 1 1 28 28 ARG N N 185 116.659 116.659 118.944 -2.285 18244 3304 1 8 . 1 1 28 28 ARG HA H 185 4.187 4.187 4.335 -0.148 18244 3305 1 8 . 1 1 28 28 ARG C C 185 177.900 177.900 176.227 1.673 18244 3306 1 8 . 1 1 28 28 ARG CA C 185 56.600 56.600 56.824 -0.224 18244 3307 1 8 . 1 1 28 28 ARG CB C 185 30.700 30.700 31.433 -0.734 18244 3308 1 8 . 1 1 28 28 ARG H H 185 7.488 7.488 7.497 -0.009 18244 3309 1 8 . 1 1 29 29 ILE N N 186 121.078 121.078 122.160 -1.082 18244 3310 1 8 . 1 1 29 29 ILE HA H 186 4.352 4.352 4.363 -0.011 18244 3311 1 8 . 1 1 29 29 ILE CA C 186 59.300 59.300 59.021 0.279 18244 3312 1 8 . 1 1 29 29 ILE CB C 186 37.800 37.800 38.228 -0.428 18244 3313 1 8 . 1 1 29 29 ILE H H 186 7.630 7.630 7.293 0.337 18244 3314 1 8 . 1 1 30 30 PRO HA H 187 4.256 4.256 4.772 -0.516 18244 3315 1 8 . 1 1 30 30 PRO C C 187 178.500 178.500 176.954 1.546 18244 3316 1 8 . 1 1 30 30 PRO CA C 187 64.100 64.100 62.199 1.901 18244 3317 1 8 . 1 1 30 30 PRO CB C 187 32.400 32.400 32.635 -0.235 18244 3318 1 8 . 1 1 31 31 ASN N N 188 110.335 110.335 114.529 -4.194 18244 3319 1 8 . 1 1 31 31 ASN HA H 188 4.398 4.398 4.489 -0.091 18244 3320 1 8 . 1 1 31 31 ASN C C 188 177.500 177.500 174.164 3.336 18244 3321 1 8 . 1 1 31 31 ASN CA C 188 54.400 54.400 55.079 -0.679 18244 3322 1 8 . 1 1 31 31 ASN CB C 188 37.700 37.700 37.886 -0.187 18244 3323 1 8 . 1 1 31 31 ASN H H 188 8.464 8.464 8.830 -0.366 18244 3324 1 8 . 1 1 32 32 ILE N N 189 117.608 117.608 115.432 2.176 18244 3325 1 8 . 1 1 32 32 ILE HA H 189 4.416 4.416 4.626 -0.210 18244 3326 1 8 . 1 1 32 32 ILE CA C 189 58.100 58.100 58.419 -0.319 18244 3327 1 8 . 1 1 32 32 ILE CB C 189 38.600 38.600 40.253 -1.653 18244 3328 1 8 . 1 1 32 32 ILE H H 189 7.325 7.325 7.428 -0.103 18244 3329 1 8 . 1 1 33 33 PRO HA H 190 4.749 4.749 4.935 -0.186 18244 3330 1 8 . 1 1 33 33 PRO CA C 190 61.700 61.700 61.428 0.272 18244 3331 1 8 . 1 1 33 33 PRO CB C 190 31.000 31.000 31.331 -0.331 18244 3332 1 8 . 1 1 34 34 PRO HA H 191 4.391 4.391 4.217 0.174 18244 3333 1 8 . 1 1 34 34 PRO C C 191 178.600 178.600 176.840 1.760 18244 3334 1 8 . 1 1 34 34 PRO CA C 191 63.700 63.700 63.993 -0.293 18244 3335 1 8 . 1 1 34 34 PRO CB C 191 32.000 32.000 32.021 -0.021 18244 3336 1 8 . 1 1 35 35 ASN N N 192 112.827 112.827 114.710 -1.883 18244 3337 1 8 . 1 1 35 35 ASN HA H 192 4.456 4.456 4.531 -0.075 18244 3338 1 8 . 1 1 35 35 ASN C C 192 176.500 176.500 174.234 2.266 18244 3339 1 8 . 1 1 35 35 ASN CA C 192 53.700 53.700 54.006 -0.306 18244 3340 1 8 . 1 1 35 35 ASN CB C 192 37.300 37.300 38.057 -0.757 18244 3341 1 8 . 1 1 35 35 ASN H H 192 8.256 8.256 8.766 -0.510 18244 3342 1 8 . 1 1 36 36 ILE N N 193 119.133 119.133 112.155 6.978 18244 3343 1 8 . 1 1 36 36 ILE HA H 193 4.144 4.144 4.391 -0.247 18244 3344 1 8 . 1 1 36 36 ILE C C 193 177.200 177.200 174.164 3.036 18244 3345 1 8 . 1 1 36 36 ILE CA C 193 59.100 59.100 60.037 -0.937 18244 3346 1 8 . 1 1 36 36 ILE CB C 193 37.000 37.000 40.056 -3.057 18244 3347 1 8 . 1 1 36 36 ILE H H 193 7.166 7.166 7.348 -0.182 18244 3348 1 8 . 1 1 37 37 ASN N N 194 121.068 121.068 115.548 5.520 18244 3349 1 8 . 1 1 37 37 ASN HA H 194 4.667 4.667 4.688 -0.021 18244 3350 1 8 . 1 1 37 37 ASN C C 194 175.600 175.600 174.458 1.142 18244 3351 1 8 . 1 1 37 37 ASN CA C 194 53.400 53.400 53.508 -0.108 18244 3352 1 8 . 1 1 37 37 ASN CB C 194 40.400 40.400 40.447 -0.047 18244 3353 1 8 . 1 1 37 37 ASN H H 194 8.764 8.764 8.355 0.409 18244 3354 1 8 . 1 1 38 38 THR N N 195 106.795 106.795 115.913 -9.118 18244 3355 1 8 . 1 1 38 38 THR HA H 195 4.924 4.924 4.340 0.584 18244 3356 1 8 . 1 1 38 38 THR C C 195 178.000 178.000 175.369 2.631 18244 3357 1 8 . 1 1 38 38 THR CA C 195 58.800 58.800 63.568 -4.768 18244 3358 1 8 . 1 1 38 38 THR CB C 195 73.500 73.500 68.961 4.539 18244 3359 1 8 . 1 1 38 38 THR H H 195 7.527 7.527 7.857 -0.330 18244 3360 1 8 . 1 1 39 39 TRP N N 196 123.744 123.744 127.483 -3.739 18244 3361 1 8 . 1 1 39 39 TRP HA H 196 4.533 4.533 4.210 0.323 18244 3362 1 8 . 1 1 39 39 TRP C C 196 182.300 182.300 178.538 3.762 18244 3363 1 8 . 1 1 39 39 TRP CA C 196 60.100 60.100 61.837 -1.737 18244 3364 1 8 . 1 1 39 39 TRP CB C 196 29.400 29.400 29.225 0.175 18244 3365 1 8 . 1 1 39 39 TRP H H 196 10.363 10.363 8.997 1.366 18244 3366 1 8 . 1 1 40 40 GLN N N 197 120.207 120.207 115.230 4.977 18244 3367 1 8 . 1 1 40 40 GLN HA H 197 4.268 4.268 4.180 0.088 18244 3368 1 8 . 1 1 40 40 GLN C C 197 180.900 180.900 177.650 3.250 18244 3369 1 8 . 1 1 40 40 GLN CA C 197 59.500 59.500 58.378 1.122 18244 3370 1 8 . 1 1 40 40 GLN CB C 197 28.500 28.500 27.971 0.529 18244 3371 1 8 . 1 1 40 40 GLN H H 197 8.550 8.550 8.646 -0.096 18244 3372 1 8 . 1 1 41 41 GLN N N 198 118.163 118.163 117.630 0.533 18244 3373 1 8 . 1 1 41 41 GLN HA H 198 4.191 4.191 4.246 -0.055 18244 3374 1 8 . 1 1 41 41 GLN C C 198 181.500 181.500 178.250 3.250 18244 3375 1 8 . 1 1 41 41 GLN CA C 198 58.500 58.500 58.000 0.500 18244 3376 1 8 . 1 1 41 41 GLN CB C 198 30.400 30.400 29.535 0.865 18244 3377 1 8 . 1 1 41 41 GLN H H 198 7.594 7.594 7.920 -0.326 18244 3378 1 8 . 1 1 42 42 VAL N N 199 121.112 121.112 121.035 0.077 18244 3379 1 8 . 1 1 42 42 VAL HA H 199 3.479 3.479 3.753 -0.274 18244 3380 1 8 . 1 1 42 42 VAL C C 199 180.000 180.000 177.627 2.373 18244 3381 1 8 . 1 1 42 42 VAL CA C 199 67.500 67.500 66.225 1.275 18244 3382 1 8 . 1 1 42 42 VAL CB C 199 32.000 32.000 31.366 0.634 18244 3383 1 8 . 1 1 42 42 VAL H H 199 8.116 8.116 8.238 -0.122 18244 3384 1 8 . 1 1 43 43 THR N N 200 113.870 113.870 114.298 -0.428 18244 3385 1 8 . 1 1 43 43 THR HA H 200 3.904 3.904 4.134 -0.230 18244 3386 1 8 . 1 1 43 43 THR C C 200 178.900 178.900 175.730 3.170 18244 3387 1 8 . 1 1 43 43 THR CA C 200 67.000 67.000 65.165 1.835 18244 3388 1 8 . 1 1 43 43 THR CB C 200 68.500 68.500 68.515 -0.015 18244 3389 1 8 . 1 1 43 43 THR H H 200 8.726 8.726 7.716 1.010 18244 3390 1 8 . 1 1 44 44 ALA N N 201 124.369 124.369 124.168 0.201 18244 3391 1 8 . 1 1 44 44 ALA HA H 201 4.280 4.280 4.627 -0.347 18244 3392 1 8 . 1 1 44 44 ALA C C 201 182.700 182.700 179.204 3.496 18244 3393 1 8 . 1 1 44 44 ALA CA C 201 55.500 55.500 54.662 0.838 18244 3394 1 8 . 1 1 44 44 ALA CB C 201 17.900 17.900 18.721 -0.821 18244 3395 1 8 . 1 1 44 44 ALA H H 201 7.539 7.539 7.863 -0.324 18244 3396 1 8 . 1 1 45 45 LEU N N 202 117.896 117.896 116.007 1.889 18244 3397 1 8 . 1 1 45 45 LEU HA H 202 4.068 4.068 4.674 -0.606 18244 3398 1 8 . 1 1 45 45 LEU C C 202 182.200 182.200 178.407 3.793 18244 3399 1 8 . 1 1 45 45 LEU CA C 202 58.100 58.100 57.203 0.897 18244 3400 1 8 . 1 1 45 45 LEU CB C 202 41.800 41.800 40.872 0.928 18244 3401 1 8 . 1 1 45 45 LEU H H 202 7.716 7.716 7.519 0.197 18244 3402 1 8 . 1 1 46 46 ALA N N 203 121.746 121.746 120.382 1.364 18244 3403 1 8 . 1 1 46 46 ALA HA H 203 4.184 4.184 4.181 0.003 18244 3404 1 8 . 1 1 46 46 ALA C C 203 184.300 184.300 179.668 4.632 18244 3405 1 8 . 1 1 46 46 ALA CA C 203 55.400 55.400 54.684 0.716 18244 3406 1 8 . 1 1 46 46 ALA CB C 203 18.100 18.100 18.252 -0.151 18244 3407 1 8 . 1 1 46 46 ALA H H 203 8.117 8.117 7.589 0.528 18244 3408 1 8 . 1 1 47 47 GLN N N 204 120.247 120.247 117.552 2.695 18244 3409 1 8 . 1 1 47 47 GLN HA H 204 4.088 4.088 4.077 0.011 18244 3410 1 8 . 1 1 47 47 GLN C C 204 180.100 180.100 177.792 2.308 18244 3411 1 8 . 1 1 47 47 GLN CA C 204 58.900 58.900 58.075 0.825 18244 3412 1 8 . 1 1 47 47 GLN CB C 204 28.500 28.500 28.822 -0.322 18244 3413 1 8 . 1 1 47 47 GLN H H 204 8.515 8.515 7.684 0.831 18244 3414 1 8 . 1 1 48 48 GLN N N 205 116.167 116.167 116.240 -0.073 18244 3415 1 8 . 1 1 48 48 GLN HA H 205 4.290 4.290 4.261 0.029 18244 3416 1 8 . 1 1 48 48 GLN C C 205 176.700 176.700 175.018 1.682 18244 3417 1 8 . 1 1 48 48 GLN CA C 205 55.900 55.900 56.028 -0.128 18244 3418 1 8 . 1 1 48 48 GLN CB C 205 30.000 30.000 29.233 0.767 18244 3419 1 8 . 1 1 48 48 GLN H H 205 7.534 7.534 7.457 0.077 18244 3420 1 8 . 1 1 49 49 LYS N N 206 113.354 113.354 115.468 -2.114 18244 3421 1 8 . 1 1 49 49 LYS HA H 206 4.118 4.118 4.136 -0.018 18244 3422 1 8 . 1 1 49 49 LYS C C 206 178.700 178.700 175.967 2.733 18244 3423 1 8 . 1 1 49 49 LYS CA C 206 57.500 57.500 57.100 0.400 18244 3424 1 8 . 1 1 49 49 LYS CB C 206 28.300 28.300 29.350 -1.050 18244 3425 1 8 . 1 1 49 49 LYS H H 206 7.957 7.957 7.453 0.504 18244 3426 1 8 . 1 1 50 50 LEU N N 207 116.944 116.944 116.082 0.862 18244 3427 1 8 . 1 1 50 50 LEU HA H 207 4.423 4.423 4.366 0.057 18244 3428 1 8 . 1 1 50 50 LEU C C 207 180.000 180.000 176.465 3.535 18244 3429 1 8 . 1 1 50 50 LEU CA C 207 55.300 55.300 54.490 0.810 18244 3430 1 8 . 1 1 50 50 LEU CB C 207 42.500 42.500 42.492 0.008 18244 3431 1 8 . 1 1 50 50 LEU H H 207 8.016 8.016 7.957 0.059 18244 3432 1 8 . 1 1 51 51 LEU N N 208 117.793 117.793 121.130 -3.337 18244 3433 1 8 . 1 1 51 51 LEU HA H 208 4.922 4.922 4.591 0.331 18244 3434 1 8 . 1 1 51 51 LEU C C 208 179.000 179.000 176.471 2.529 18244 3435 1 8 . 1 1 51 51 LEU CA C 208 53.400 53.400 54.219 -0.819 18244 3436 1 8 . 1 1 51 51 LEU CB C 208 44.500 44.500 43.745 0.755 18244 3437 1 8 . 1 1 51 51 LEU H H 208 7.109 7.109 7.644 -0.535 18244 3438 1 8 . 1 1 52 52 THR N N 209 115.695 115.695 116.561 -0.866 18244 3439 1 8 . 1 1 52 52 THR HA H 209 4.623 4.623 5.027 -0.404 18244 3440 1 8 . 1 1 52 52 THR CA C 209 60.700 60.700 58.613 2.087 18244 3441 1 8 . 1 1 52 52 THR CB C 209 69.000 69.000 70.202 -1.202 18244 3442 1 8 . 1 1 52 52 THR H H 209 9.460 9.460 9.648 -0.188 18244 3443 1 8 . 1 1 53 53 PRO HA H 210 4.275 4.275 4.271 0.004 18244 3444 1 8 . 1 1 53 53 PRO C C 210 181.700 181.700 178.051 3.649 18244 3445 1 8 . 1 1 53 53 PRO CA C 210 66.000 66.000 65.027 0.973 18244 3446 1 8 . 1 1 53 53 PRO CB C 210 31.600 31.600 31.770 -0.170 18244 3447 1 8 . 1 1 54 54 GLN N N 211 116.837 116.837 117.842 -1.005 18244 3448 1 8 . 1 1 54 54 GLN HA H 211 4.119 4.119 4.117 0.002 18244 3449 1 8 . 1 1 54 54 GLN C C 211 181.500 181.500 178.068 3.432 18244 3450 1 8 . 1 1 54 54 GLN CA C 211 59.800 59.800 58.811 0.989 18244 3451 1 8 . 1 1 54 54 GLN CB C 211 28.100 28.100 28.477 -0.377 18244 3452 1 8 . 1 1 54 54 GLN H H 211 8.229 8.229 7.879 0.350 18244 3453 1 8 . 1 1 55 55 ASP N N 212 123.621 123.621 119.570 4.051 18244 3454 1 8 . 1 1 55 55 ASP HA H 212 4.353 4.353 4.469 -0.116 18244 3455 1 8 . 1 1 55 55 ASP C C 212 181.100 181.100 178.327 2.773 18244 3456 1 8 . 1 1 55 55 ASP CA C 212 57.900 57.900 56.419 1.481 18244 3457 1 8 . 1 1 55 55 ASP CB C 212 41.700 41.700 40.468 1.232 18244 3458 1 8 . 1 1 55 55 ASP H H 212 7.957 7.957 7.603 0.354 18244 3459 1 8 . 1 1 56 56 MET N N 213 117.263 117.263 118.679 -1.416 18244 3460 1 8 . 1 1 56 56 MET HA H 213 4.380 4.380 4.141 0.239 18244 3461 1 8 . 1 1 56 56 MET C C 213 181.000 181.000 178.522 2.478 18244 3462 1 8 . 1 1 56 56 MET CA C 213 57.100 57.100 59.523 -2.423 18244 3463 1 8 . 1 1 56 56 MET CB C 213 31.200 31.200 32.565 -1.365 18244 3464 1 8 . 1 1 56 56 MET H H 213 8.314 8.314 8.060 0.254 18244 3465 1 8 . 1 1 57 57 GLU N N 214 120.570 120.570 117.932 2.638 18244 3466 1 8 . 1 1 57 57 GLU HA H 214 4.085 4.085 4.238 -0.153 18244 3467 1 8 . 1 1 57 57 GLU C C 214 181.700 181.700 177.443 4.257 18244 3468 1 8 . 1 1 57 57 GLU CA C 214 59.500 59.500 58.547 0.952 18244 3469 1 8 . 1 1 57 57 GLU CB C 214 29.300 29.300 29.533 -0.233 18244 3470 1 8 . 1 1 57 57 GLU H H 214 8.039 8.039 7.877 0.162 18244 3471 1 8 . 1 1 58 58 ALA N N 215 121.915 121.915 121.120 0.795 18244 3472 1 8 . 1 1 58 58 ALA HA H 215 4.361 4.361 4.346 0.015 18244 3473 1 8 . 1 1 58 58 ALA C C 215 182.800 182.800 178.852 3.948 18244 3474 1 8 . 1 1 58 58 ALA CA C 215 55.100 55.100 54.346 0.754 18244 3475 1 8 . 1 1 58 58 ALA CB C 215 18.500 18.500 19.168 -0.668 18244 3476 1 8 . 1 1 58 58 ALA H H 215 7.571 7.571 7.164 0.407 18244 3477 1 8 . 1 1 59 59 ALA N N 216 120.749 120.749 121.715 -0.966 18244 3478 1 8 . 1 1 59 59 ALA HA H 216 4.137 4.137 4.133 0.004 18244 3479 1 8 . 1 1 59 59 ALA C C 216 180.800 180.800 178.833 1.967 18244 3480 1 8 . 1 1 59 59 ALA CA C 216 55.700 55.700 55.322 0.379 18244 3481 1 8 . 1 1 59 59 ALA CB C 216 18.100 18.100 18.759 -0.659 18244 3482 1 8 . 1 1 59 59 ALA H H 216 8.728 8.728 8.599 0.129 18244 3483 1 8 . 1 1 60 60 LYS N N 217 117.415 117.415 117.526 -0.111 18244 3484 1 8 . 1 1 60 60 LYS HA H 217 3.700 3.700 3.967 -0.267 18244 3485 1 8 . 1 1 60 60 LYS C C 217 181.300 181.300 178.242 3.058 18244 3486 1 8 . 1 1 60 60 LYS CA C 217 60.200 60.200 59.134 1.066 18244 3487 1 8 . 1 1 60 60 LYS CB C 217 32.600 32.600 31.979 0.621 18244 3488 1 8 . 1 1 60 60 LYS H H 217 8.292 8.292 7.848 0.444 18244 3489 1 8 . 1 1 61 61 GLN N N 218 118.499 118.499 119.815 -1.316 18244 3490 1 8 . 1 1 61 61 GLN HA H 218 4.171 4.171 4.223 -0.052 18244 3491 1 8 . 1 1 61 61 GLN C C 218 181.500 181.500 178.289 3.211 18244 3492 1 8 . 1 1 61 61 GLN CA C 218 59.200 59.200 58.554 0.646 18244 3493 1 8 . 1 1 61 61 GLN CB C 218 29.400 29.400 29.049 0.350 18244 3494 1 8 . 1 1 61 61 GLN H H 218 7.401 7.401 7.503 -0.102 18244 3495 1 8 . 1 1 62 62 VAL N N 219 119.685 119.685 121.422 -1.737 18244 3496 1 8 . 1 1 62 62 VAL HA H 219 3.746 3.746 3.699 0.047 18244 3497 1 8 . 1 1 62 62 VAL C C 219 179.400 179.400 178.120 1.280 18244 3498 1 8 . 1 1 62 62 VAL CA C 219 66.800 66.800 66.903 -0.103 18244 3499 1 8 . 1 1 62 62 VAL CB C 219 31.900 31.900 31.430 0.470 18244 3500 1 8 . 1 1 62 62 VAL H H 219 8.036 8.036 7.783 0.253 18244 3501 1 8 . 1 1 63 63 TYR N N 220 123.794 123.794 119.281 4.513 18244 3502 1 8 . 1 1 63 63 TYR HA H 220 3.725 3.725 4.229 -0.504 18244 3503 1 8 . 1 1 63 63 TYR C C 220 179.300 179.300 177.833 1.467 18244 3504 1 8 . 1 1 63 63 TYR CA C 220 62.200 62.200 62.124 0.076 18244 3505 1 8 . 1 1 63 63 TYR CB C 220 38.000 38.000 38.175 -0.175 18244 3506 1 8 . 1 1 63 63 TYR H H 220 8.802 8.802 8.255 0.547 18244 3507 1 8 . 1 1 64 64 LYS N N 221 117.772 117.772 118.682 -0.910 18244 3508 1 8 . 1 1 64 64 LYS HA H 221 3.864 3.864 4.113 -0.249 18244 3509 1 8 . 1 1 64 64 LYS C C 221 181.700 181.700 178.893 2.807 18244 3510 1 8 . 1 1 64 64 LYS CA C 221 59.800 59.800 59.208 0.592 18244 3511 1 8 . 1 1 64 64 LYS CB C 221 32.200 32.200 32.598 -0.398 18244 3512 1 8 . 1 1 64 64 LYS H H 221 7.452 7.452 7.677 -0.225 18244 3513 1 8 . 1 1 65 65 ILE N N 222 119.985 119.985 120.175 -0.190 18244 3514 1 8 . 1 1 65 65 ILE HA H 222 3.757 3.757 3.784 -0.027 18244 3515 1 8 . 1 1 65 65 ILE C C 222 180.700 180.700 177.616 3.084 18244 3516 1 8 . 1 1 65 65 ILE CA C 222 65.000 65.000 65.002 -0.002 18244 3517 1 8 . 1 1 65 65 ILE CB C 222 38.200 38.200 37.910 0.291 18244 3518 1 8 . 1 1 65 65 ILE H H 222 7.673 7.673 7.785 -0.112 18244 3519 1 8 . 1 1 66 66 HIS N N 223 121.506 121.506 119.676 1.830 18244 3520 1 8 . 1 1 66 66 HIS HA H 223 4.343 4.343 4.097 0.246 18244 3521 1 8 . 1 1 66 66 HIS C C 223 179.400 179.400 177.312 2.088 18244 3522 1 8 . 1 1 66 66 HIS CA C 223 57.500 57.500 59.413 -1.913 18244 3523 1 8 . 1 1 66 66 HIS CB C 223 32.800 32.800 30.192 2.608 18244 3524 1 8 . 1 1 66 66 HIS H H 223 8.943 8.943 8.404 0.539 18244 3525 1 8 . 1 1 67 67 GLN N N 224 117.421 117.421 118.605 -1.184 18244 3526 1 8 . 1 1 67 67 GLN HA H 224 3.720 3.720 3.927 -0.207 18244 3527 1 8 . 1 1 67 67 GLN C C 224 180.200 180.200 178.001 2.199 18244 3528 1 8 . 1 1 67 67 GLN CA C 224 59.800 59.800 59.108 0.692 18244 3529 1 8 . 1 1 67 67 GLN CB C 224 29.500 29.500 28.565 0.935 18244 3530 1 8 . 1 1 67 67 GLN H H 224 8.526 8.526 7.934 0.592 18244 3531 1 8 . 1 1 68 68 GLN N N 225 117.385 117.385 119.943 -2.558 18244 3532 1 8 . 1 1 68 68 GLN HA H 225 4.017 4.017 4.110 -0.093 18244 3533 1 8 . 1 1 68 68 GLN C C 225 181.100 181.100 178.627 2.473 18244 3534 1 8 . 1 1 68 68 GLN CA C 225 59.200 59.200 59.097 0.103 18244 3535 1 8 . 1 1 68 68 GLN CB C 225 28.400 28.400 28.524 -0.124 18244 3536 1 8 . 1 1 68 68 GLN H H 225 7.673 7.673 7.523 0.150 18244 3537 1 8 . 1 1 69 69 LEU N N 226 120.608 120.608 120.498 0.110 18244 3538 1 8 . 1 1 69 69 LEU HA H 226 4.126 4.126 4.178 -0.052 18244 3539 1 8 . 1 1 69 69 LEU C C 226 182.700 182.700 179.264 3.436 18244 3540 1 8 . 1 1 69 69 LEU CA C 226 58.200 58.200 57.617 0.583 18244 3541 1 8 . 1 1 69 69 LEU CB C 226 42.000 42.000 41.173 0.827 18244 3542 1 8 . 1 1 69 69 LEU H H 226 8.227 8.227 7.736 0.491 18244 3543 1 8 . 1 1 70 70 LEU N N 227 120.607 120.607 119.469 1.138 18244 3544 1 8 . 1 1 70 70 LEU HA H 227 4.108 4.108 3.925 0.183 18244 3545 1 8 . 1 1 70 70 LEU C C 227 181.900 181.900 179.232 2.668 18244 3546 1 8 . 1 1 70 70 LEU CA C 227 57.700 57.700 57.991 -0.291 18244 3547 1 8 . 1 1 70 70 LEU CB C 227 41.900 41.900 41.435 0.465 18244 3548 1 8 . 1 1 70 70 LEU H H 227 8.273 8.273 7.692 0.581 18244 3549 1 8 . 1 1 71 71 PHE N N 228 119.975 119.975 119.883 0.092 18244 3550 1 8 . 1 1 71 71 PHE HA H 228 4.315 4.315 4.022 0.293 18244 3551 1 8 . 1 1 71 71 PHE C C 228 180.100 180.100 177.281 2.819 18244 3552 1 8 . 1 1 71 71 PHE CA C 228 60.200 60.200 62.052 -1.852 18244 3553 1 8 . 1 1 71 71 PHE CB C 228 39.000 39.000 39.251 -0.251 18244 3554 1 8 . 1 1 71 71 PHE H H 228 8.469 8.469 7.982 0.487 18244 3555 1 8 . 1 1 72 72 LYS N N 229 119.148 119.148 118.523 0.625 18244 3556 1 8 . 1 1 72 72 LYS HA H 229 4.012 4.012 3.929 0.083 18244 3557 1 8 . 1 1 72 72 LYS C C 229 180.400 180.400 178.759 1.641 18244 3558 1 8 . 1 1 72 72 LYS CA C 229 58.800 58.800 59.659 -0.859 18244 3559 1 8 . 1 1 72 72 LYS CB C 229 32.300 32.300 32.288 0.012 18244 3560 1 8 . 1 1 72 72 LYS H H 229 8.143 8.143 7.978 0.165 18244 3561 1 8 . 1 1 73 73 ALA N N 230 121.483 121.483 121.416 0.067 18244 3562 1 8 . 1 1 73 73 ALA HA H 230 4.224 4.224 4.136 0.088 18244 3563 1 8 . 1 1 73 73 ALA C C 230 181.600 181.600 179.564 2.036 18244 3564 1 8 . 1 1 73 73 ALA CA C 230 54.200 54.200 54.972 -0.772 18244 3565 1 8 . 1 1 73 73 ALA CB C 230 18.500 18.500 18.409 0.091 18244 3566 1 8 . 1 1 73 73 ALA H H 230 7.886 7.886 8.190 -0.304 18244 3567 1 8 . 1 1 74 74 ARG N N 231 118.073 118.073 116.420 1.653 18244 3568 1 8 . 1 1 74 74 ARG HA H 231 4.189 4.189 4.149 0.040 18244 3569 1 8 . 1 1 74 74 ARG C C 231 179.900 179.900 177.727 2.173 18244 3570 1 8 . 1 1 74 74 ARG CA C 231 57.600 57.600 57.836 -0.236 18244 3571 1 8 . 1 1 74 74 ARG CB C 231 30.100 30.100 30.452 -0.352 18244 3572 1 8 . 1 1 74 74 ARG H H 231 7.849 7.849 7.403 0.446 18244 3573 1 8 . 1 1 75 75 LEU N N 232 120.575 120.575 120.839 -0.264 18244 3574 1 8 . 1 1 75 75 LEU HA H 232 4.181 4.181 4.186 -0.005 18244 3575 1 8 . 1 1 75 75 LEU C C 232 180.600 180.600 177.094 3.506 18244 3576 1 8 . 1 1 75 75 LEU CA C 232 56.400 56.400 56.071 0.329 18244 3577 1 8 . 1 1 75 75 LEU CB C 232 42.000 42.000 42.747 -0.747 18244 3578 1 8 . 1 1 75 75 LEU H H 232 7.847 7.847 7.359 0.488 18244 3579 1 8 . 1 1 76 76 GLN N N 233 118.890 118.890 118.117 0.773 18244 3580 1 8 . 1 1 76 76 GLN HA H 233 4.220 4.220 4.252 -0.032 18244 3581 1 8 . 1 1 76 76 GLN C C 233 179.100 179.100 176.772 2.328 18244 3582 1 8 . 1 1 76 76 GLN CA C 233 56.900 56.900 56.598 0.302 18244 3583 1 8 . 1 1 76 76 GLN CB C 233 29.000 29.000 28.936 0.064 18244 3584 1 8 . 1 1 76 76 GLN H H 233 8.008 8.008 8.206 -0.198 18244 3585 1 8 . 1 1 77 77 GLN N N 234 119.836 119.836 122.746 -2.910 18244 3586 1 8 . 1 1 77 77 GLN HA H 234 4.263 4.263 4.437 -0.174 18244 3587 1 8 . 1 1 77 77 GLN C C 234 178.700 178.700 176.988 1.712 18244 3588 1 8 . 1 1 77 77 GLN CA C 234 56.700 56.700 56.496 0.204 18244 3589 1 8 . 1 1 77 77 GLN CB C 234 29.100 29.100 29.140 -0.040 18244 3590 1 8 . 1 1 77 77 GLN H H 234 8.078 8.078 8.615 -0.537 18244 3591 1 8 . 1 1 78 78 GLN N N 235 120.341 120.341 118.796 1.545 18244 3592 1 8 . 1 1 78 78 GLN HA H 235 4.288 4.288 4.387 -0.099 18244 3593 1 8 . 1 1 78 78 GLN C C 235 178.400 178.400 176.802 1.598 18244 3594 1 8 . 1 1 78 78 GLN CA C 235 56.400 56.400 56.591 -0.191 18244 3595 1 8 . 1 1 78 78 GLN CB C 235 29.300 29.300 30.293 -0.993 18244 3596 1 8 . 1 1 78 78 GLN H H 235 8.226 8.226 8.066 0.160 18244 3597 1 8 . 1 1 79 79 GLN N N 236 120.708 120.708 119.337 1.371 18244 3598 1 8 . 1 1 79 79 GLN HA H 236 4.316 4.316 4.471 -0.155 18244 3599 1 8 . 1 1 79 79 GLN C C 236 177.800 177.800 174.311 3.489 18244 3600 1 8 . 1 1 79 79 GLN CA C 236 55.900 55.900 54.419 1.481 18244 3601 1 8 . 1 1 79 79 GLN CB C 236 29.500 29.500 29.524 -0.024 18244 3602 1 8 . 1 1 79 79 GLN H H 236 8.253 8.253 8.381 -0.128 18244 3603 1 8 . 1 1 80 80 ALA N N 237 125.698 125.698 128.876 -3.178 18244 3604 1 8 . 1 1 80 80 ALA HA H 237 4.336 4.336 4.255 0.081 18244 3605 1 8 . 1 1 80 80 ALA C C 237 179.000 179.000 177.600 1.400 18244 3606 1 8 . 1 1 80 80 ALA CA C 237 52.800 52.800 52.344 0.456 18244 3607 1 8 . 1 1 80 80 ALA CB C 237 19.300 19.300 19.684 -0.384 18244 3608 1 8 . 1 1 80 80 ALA H H 237 8.237 8.237 8.373 -0.136 18244 3609 1 9 . 1 1 2 2 ARG HA H 159 4.353 4.353 4.653 -0.300 18244 3610 1 9 . 1 1 2 2 ARG C C 159 178.200 178.200 176.919 1.281 18244 3611 1 9 . 1 1 2 2 ARG CA C 159 56.300 56.300 56.353 -0.053 18244 3612 1 9 . 1 1 2 2 ARG CB C 159 30.900 30.900 31.962 -1.062 18244 3613 1 9 . 1 1 3 3 ARG N N 160 123.623 123.623 118.890 4.733 18244 3614 1 9 . 1 1 3 3 ARG HA H 160 4.306 4.306 4.572 -0.266 18244 3615 1 9 . 1 1 3 3 ARG C C 160 178.000 178.000 176.054 1.946 18244 3616 1 9 . 1 1 3 3 ARG CA C 160 56.100 56.100 56.862 -0.762 18244 3617 1 9 . 1 1 3 3 ARG CB C 160 31.000 31.000 32.631 -1.631 18244 3618 1 9 . 1 1 3 3 ARG H H 160 8.558 8.558 8.502 0.056 18244 3619 1 9 . 1 1 4 4 GLN N N 161 122.962 122.962 118.973 3.989 18244 3620 1 9 . 1 1 4 4 GLN HA H 161 4.355 4.355 4.654 -0.299 18244 3621 1 9 . 1 1 4 4 GLN C C 161 177.900 177.900 174.063 3.837 18244 3622 1 9 . 1 1 4 4 GLN CA C 161 55.500 55.500 55.121 0.379 18244 3623 1 9 . 1 1 4 4 GLN CB C 161 29.600 29.600 32.272 -2.672 18244 3624 1 9 . 1 1 4 4 GLN H H 161 8.515 8.515 7.966 0.549 18244 3625 1 9 . 1 1 5 5 LEU N N 162 124.755 124.755 120.281 4.474 18244 3626 1 9 . 1 1 5 5 LEU HA H 162 4.577 4.577 4.096 0.481 18244 3627 1 9 . 1 1 5 5 LEU C C 162 180.500 180.500 175.267 5.233 18244 3628 1 9 . 1 1 5 5 LEU CA C 162 54.700 54.700 54.606 0.094 18244 3629 1 9 . 1 1 5 5 LEU CB C 162 42.900 42.900 41.575 1.325 18244 3630 1 9 . 1 1 5 5 LEU H H 162 8.480 8.480 8.427 0.053 18244 3631 1 9 . 1 1 6 6 THR N N 163 114.727 114.727 112.748 1.979 18244 3632 1 9 . 1 1 6 6 THR HA H 163 4.596 4.596 4.693 -0.097 18244 3633 1 9 . 1 1 6 6 THR CA C 163 60.200 60.200 59.866 0.334 18244 3634 1 9 . 1 1 6 6 THR CB C 163 68.200 68.200 69.643 -1.443 18244 3635 1 9 . 1 1 6 6 THR H H 163 8.623 8.623 7.944 0.679 18244 3636 1 9 . 1 1 7 7 PRO HA H 164 4.263 4.263 4.231 0.032 18244 3637 1 9 . 1 1 7 7 PRO C C 164 181.600 181.600 178.981 2.619 18244 3638 1 9 . 1 1 7 7 PRO CA C 164 65.900 65.900 65.896 0.004 18244 3639 1 9 . 1 1 7 7 PRO CB C 164 31.600 31.600 31.851 -0.251 18244 3640 1 9 . 1 1 8 8 GLN N N 165 116.429 116.429 116.525 -0.096 18244 3641 1 9 . 1 1 8 8 GLN HA H 165 4.063 4.063 4.176 -0.113 18244 3642 1 9 . 1 1 8 8 GLN C C 165 181.300 181.300 178.680 2.620 18244 3643 1 9 . 1 1 8 8 GLN CA C 165 59.500 59.500 58.971 0.529 18244 3644 1 9 . 1 1 8 8 GLN CB C 165 28.300 28.300 27.949 0.351 18244 3645 1 9 . 1 1 8 8 GLN H H 165 8.439 8.439 8.651 -0.212 18244 3646 1 9 . 1 1 9 9 GLN N N 166 120.164 120.164 119.314 0.850 18244 3647 1 9 . 1 1 9 9 GLN HA H 166 3.948 3.948 4.061 -0.113 18244 3648 1 9 . 1 1 9 9 GLN C C 166 180.600 180.600 178.336 2.264 18244 3649 1 9 . 1 1 9 9 GLN CA C 166 58.700 58.700 58.420 0.280 18244 3650 1 9 . 1 1 9 9 GLN CB C 166 29.300 29.300 28.700 0.600 18244 3651 1 9 . 1 1 9 9 GLN H H 166 7.760 7.760 7.653 0.107 18244 3652 1 9 . 1 1 10 10 GLN N N 167 119.164 119.164 119.741 -0.577 18244 3653 1 9 . 1 1 10 10 GLN HA H 167 3.860 3.860 3.971 -0.111 18244 3654 1 9 . 1 1 10 10 GLN C C 167 180.300 180.300 178.694 1.606 18244 3655 1 9 . 1 1 10 10 GLN CA C 167 58.600 58.600 59.170 -0.571 18244 3656 1 9 . 1 1 10 10 GLN CB C 167 29.000 29.000 28.651 0.349 18244 3657 1 9 . 1 1 10 10 GLN H H 167 8.787 8.787 8.802 -0.015 18244 3658 1 9 . 1 1 11 11 GLN N N 168 118.139 118.139 117.022 1.117 18244 3659 1 9 . 1 1 11 11 GLN HA H 168 4.111 4.111 4.220 -0.109 18244 3660 1 9 . 1 1 11 11 GLN C C 168 180.600 180.600 178.285 2.315 18244 3661 1 9 . 1 1 11 11 GLN CA C 168 58.900 58.900 57.395 1.505 18244 3662 1 9 . 1 1 11 11 GLN CB C 168 28.500 28.500 28.638 -0.138 18244 3663 1 9 . 1 1 11 11 GLN H H 168 7.987 7.987 7.741 0.246 18244 3664 1 9 . 1 1 12 12 LEU N N 169 120.649 120.649 119.737 0.912 18244 3665 1 9 . 1 1 12 12 LEU HA H 169 4.138 4.138 4.143 -0.005 18244 3666 1 9 . 1 1 12 12 LEU C C 169 181.300 181.300 178.910 2.390 18244 3667 1 9 . 1 1 12 12 LEU CA C 169 58.100 58.100 57.661 0.438 18244 3668 1 9 . 1 1 12 12 LEU CB C 169 41.600 41.600 42.079 -0.479 18244 3669 1 9 . 1 1 12 12 LEU H H 169 7.457 7.457 7.578 -0.121 18244 3670 1 9 . 1 1 13 13 VAL N N 170 119.772 119.772 114.240 5.532 18244 3671 1 9 . 1 1 13 13 VAL HA H 170 3.570 3.570 3.877 -0.307 18244 3672 1 9 . 1 1 13 13 VAL C C 170 180.700 180.700 177.515 3.185 18244 3673 1 9 . 1 1 13 13 VAL CA C 170 66.700 66.700 64.823 1.877 18244 3674 1 9 . 1 1 13 13 VAL CB C 170 31.700 31.700 31.680 0.020 18244 3675 1 9 . 1 1 13 13 VAL H H 170 8.101 8.101 7.889 0.212 18244 3676 1 9 . 1 1 14 14 ASN N N 171 118.278 118.278 118.089 0.189 18244 3677 1 9 . 1 1 14 14 ASN HA H 171 4.454 4.454 4.548 -0.094 18244 3678 1 9 . 1 1 14 14 ASN C C 171 180.800 180.800 177.677 3.123 18244 3679 1 9 . 1 1 14 14 ASN CA C 171 56.000 56.000 56.060 -0.060 18244 3680 1 9 . 1 1 14 14 ASN CB C 171 37.600 37.600 38.725 -1.125 18244 3681 1 9 . 1 1 14 14 ASN H H 171 8.253 8.253 7.956 0.297 18244 3682 1 9 . 1 1 15 15 GLN N N 172 120.079 120.079 117.882 2.197 18244 3683 1 9 . 1 1 15 15 GLN HA H 172 4.152 4.152 4.305 -0.153 18244 3684 1 9 . 1 1 15 15 GLN C C 172 181.100 181.100 176.895 4.205 18244 3685 1 9 . 1 1 15 15 GLN CA C 172 58.600 58.600 57.057 1.543 18244 3686 1 9 . 1 1 15 15 GLN CB C 172 28.800 28.800 28.428 0.372 18244 3687 1 9 . 1 1 15 15 GLN H H 172 8.112 8.112 7.671 0.441 18244 3688 1 9 . 1 1 16 16 MET N N 173 118.323 118.323 116.476 1.847 18244 3689 1 9 . 1 1 16 16 MET HA H 173 4.266 4.266 4.584 -0.318 18244 3690 1 9 . 1 1 16 16 MET C C 173 180.300 180.300 176.521 3.779 18244 3691 1 9 . 1 1 16 16 MET CA C 173 57.300 57.300 54.081 3.219 18244 3692 1 9 . 1 1 16 16 MET CB C 173 31.400 31.400 31.958 -0.558 18244 3693 1 9 . 1 1 16 16 MET H H 173 8.371 8.371 7.595 0.776 18244 3694 1 9 . 1 1 17 17 LYS N N 174 117.179 117.179 119.902 -2.723 18244 3695 1 9 . 1 1 17 17 LYS HA H 174 4.450 4.450 4.233 0.217 18244 3696 1 9 . 1 1 17 17 LYS C C 174 178.400 178.400 176.604 1.796 18244 3697 1 9 . 1 1 17 17 LYS CA C 174 55.800 55.800 58.340 -2.540 18244 3698 1 9 . 1 1 17 17 LYS CB C 174 33.600 33.600 33.161 0.438 18244 3699 1 9 . 1 1 17 17 LYS H H 174 7.798 7.798 7.607 0.191 18244 3700 1 9 . 1 1 18 18 VAL N N 175 135.773 135.773 115.962 19.811 18244 3701 1 9 . 1 1 18 18 VAL HA H 175 4.674 4.674 4.420 0.254 18244 3702 1 9 . 1 1 18 18 VAL C C 175 177.700 177.700 174.537 3.163 18244 3703 1 9 . 1 1 18 18 VAL CA C 175 60.100 60.100 59.969 0.131 18244 3704 1 9 . 1 1 18 18 VAL CB C 175 33.200 33.200 31.406 1.794 18244 3705 1 9 . 1 1 18 18 VAL H H 175 6.894 6.894 7.677 -0.783 18244 3706 1 9 . 1 1 19 19 ALA N N 176 127.267 127.267 129.900 -2.633 18244 3707 1 9 . 1 1 19 19 ALA HA H 176 4.653 4.653 5.008 -0.355 18244 3708 1 9 . 1 1 19 19 ALA CA C 176 50.200 50.200 49.405 0.795 18244 3709 1 9 . 1 1 19 19 ALA CB C 176 18.800 18.800 20.902 -2.102 18244 3710 1 9 . 1 1 19 19 ALA H H 176 7.508 7.508 8.300 -0.792 18244 3711 1 9 . 1 1 20 20 PRO HA H 177 4.439 4.439 4.961 -0.522 18244 3712 1 9 . 1 1 20 20 PRO C C 177 179.700 179.700 175.795 3.905 18244 3713 1 9 . 1 1 20 20 PRO CA C 177 62.900 62.900 61.632 1.268 18244 3714 1 9 . 1 1 20 20 PRO CB C 177 31.400 31.400 32.361 -0.961 18244 3715 1 9 . 1 1 21 21 ILE N N 178 128.957 128.957 123.271 5.686 18244 3716 1 9 . 1 1 21 21 ILE HA H 178 3.571 3.571 3.577 -0.006 18244 3717 1 9 . 1 1 21 21 ILE CA C 178 59.700 59.700 60.194 -0.494 18244 3718 1 9 . 1 1 21 21 ILE CB C 178 39.300 39.300 37.004 2.296 18244 3719 1 9 . 1 1 21 21 ILE H H 178 8.659 8.659 8.198 0.461 18244 3720 1 9 . 1 1 22 22 PRO HA H 179 4.298 4.298 4.457 -0.159 18244 3721 1 9 . 1 1 22 22 PRO C C 179 180.600 180.600 177.188 3.412 18244 3722 1 9 . 1 1 22 22 PRO CA C 179 62.900 62.900 62.259 0.641 18244 3723 1 9 . 1 1 22 22 PRO CB C 179 32.600 32.600 32.409 0.191 18244 3724 1 9 . 1 1 23 23 LYS N N 180 126.052 126.052 121.370 4.682 18244 3725 1 9 . 1 1 23 23 LYS HA H 180 3.848 3.848 3.948 -0.100 18244 3726 1 9 . 1 1 23 23 LYS C C 180 180.300 180.300 178.897 1.403 18244 3727 1 9 . 1 1 23 23 LYS CA C 180 60.200 60.200 59.733 0.467 18244 3728 1 9 . 1 1 23 23 LYS CB C 180 32.400 32.400 31.739 0.661 18244 3729 1 9 . 1 1 23 23 LYS H H 180 8.871 8.871 8.586 0.285 18244 3730 1 9 . 1 1 24 24 GLN N N 181 115.658 115.658 117.695 -2.037 18244 3731 1 9 . 1 1 24 24 GLN HA H 181 4.102 4.102 4.126 -0.024 18244 3732 1 9 . 1 1 24 24 GLN C C 181 179.000 179.000 178.278 0.722 18244 3733 1 9 . 1 1 24 24 GLN CA C 181 58.600 58.600 58.877 -0.277 18244 3734 1 9 . 1 1 24 24 GLN CB C 181 27.400 27.400 27.824 -0.424 18244 3735 1 9 . 1 1 24 24 GLN H H 181 9.038 9.038 8.572 0.466 18244 3736 1 9 . 1 1 25 25 LEU N N 182 117.088 117.088 120.148 -3.060 18244 3737 1 9 . 1 1 25 25 LEU HA H 182 4.231 4.231 4.186 0.045 18244 3738 1 9 . 1 1 25 25 LEU C C 182 180.300 180.300 179.105 1.195 18244 3739 1 9 . 1 1 25 25 LEU CA C 182 56.600 56.600 57.454 -0.854 18244 3740 1 9 . 1 1 25 25 LEU CB C 182 40.900 40.900 41.731 -0.831 18244 3741 1 9 . 1 1 25 25 LEU H H 182 7.309 7.309 7.373 -0.064 18244 3742 1 9 . 1 1 26 26 LEU N N 183 120.917 120.917 119.973 0.944 18244 3743 1 9 . 1 1 26 26 LEU HA H 183 3.699 3.699 3.884 -0.185 18244 3744 1 9 . 1 1 26 26 LEU C C 183 181.300 181.300 179.365 1.935 18244 3745 1 9 . 1 1 26 26 LEU CA C 183 57.900 57.900 57.516 0.384 18244 3746 1 9 . 1 1 26 26 LEU CB C 183 42.400 42.400 41.209 1.191 18244 3747 1 9 . 1 1 26 26 LEU H H 183 7.842 7.842 8.161 -0.319 18244 3748 1 9 . 1 1 27 27 GLN N N 184 112.112 112.112 117.856 -5.744 18244 3749 1 9 . 1 1 27 27 GLN HA H 184 4.082 4.082 4.096 -0.014 18244 3750 1 9 . 1 1 27 27 GLN C C 184 178.800 178.800 177.325 1.475 18244 3751 1 9 . 1 1 27 27 GLN CA C 184 57.300 57.300 58.135 -0.835 18244 3752 1 9 . 1 1 27 27 GLN CB C 184 28.500 28.500 28.392 0.108 18244 3753 1 9 . 1 1 27 27 GLN H H 184 7.505 7.505 7.850 -0.345 18244 3754 1 9 . 1 1 28 28 ARG N N 185 116.659 116.659 118.022 -1.363 18244 3755 1 9 . 1 1 28 28 ARG HA H 185 4.187 4.187 4.319 -0.132 18244 3756 1 9 . 1 1 28 28 ARG C C 185 177.900 177.900 176.112 1.788 18244 3757 1 9 . 1 1 28 28 ARG CA C 185 56.600 56.600 57.329 -0.729 18244 3758 1 9 . 1 1 28 28 ARG CB C 185 30.700 30.700 31.801 -1.101 18244 3759 1 9 . 1 1 28 28 ARG H H 185 7.488 7.488 7.743 -0.255 18244 3760 1 9 . 1 1 29 29 ILE N N 186 121.078 121.078 117.240 3.838 18244 3761 1 9 . 1 1 29 29 ILE HA H 186 4.352 4.352 4.590 -0.238 18244 3762 1 9 . 1 1 29 29 ILE CA C 186 59.300 59.300 57.961 1.339 18244 3763 1 9 . 1 1 29 29 ILE CB C 186 37.800 37.800 37.964 -0.164 18244 3764 1 9 . 1 1 29 29 ILE H H 186 7.630 7.630 7.299 0.331 18244 3765 1 9 . 1 1 30 30 PRO HA H 187 4.256 4.256 4.595 -0.339 18244 3766 1 9 . 1 1 30 30 PRO C C 187 178.500 178.500 176.395 2.105 18244 3767 1 9 . 1 1 30 30 PRO CA C 187 64.100 64.100 61.823 2.277 18244 3768 1 9 . 1 1 30 30 PRO CB C 187 32.400 32.400 32.344 0.056 18244 3769 1 9 . 1 1 31 31 ASN N N 188 110.335 110.335 117.030 -6.695 18244 3770 1 9 . 1 1 31 31 ASN HA H 188 4.398 4.398 4.512 -0.114 18244 3771 1 9 . 1 1 31 31 ASN C C 188 177.500 177.500 174.073 3.427 18244 3772 1 9 . 1 1 31 31 ASN CA C 188 54.400 54.400 53.878 0.522 18244 3773 1 9 . 1 1 31 31 ASN CB C 188 37.700 37.700 36.923 0.777 18244 3774 1 9 . 1 1 31 31 ASN H H 188 8.464 8.464 8.627 -0.163 18244 3775 1 9 . 1 1 32 32 ILE N N 189 117.608 117.608 115.039 2.569 18244 3776 1 9 . 1 1 32 32 ILE HA H 189 4.416 4.416 4.546 -0.130 18244 3777 1 9 . 1 1 32 32 ILE CA C 189 58.100 58.100 58.177 -0.077 18244 3778 1 9 . 1 1 32 32 ILE CB C 189 38.600 38.600 38.831 -0.231 18244 3779 1 9 . 1 1 32 32 ILE H H 189 7.325 7.325 7.749 -0.424 18244 3780 1 9 . 1 1 33 33 PRO HA H 190 4.749 4.749 4.377 0.372 18244 3781 1 9 . 1 1 33 33 PRO CA C 190 61.700 61.700 65.047 -3.348 18244 3782 1 9 . 1 1 33 33 PRO CB C 190 31.000 31.000 30.272 0.728 18244 3783 1 9 . 1 1 34 34 PRO HA H 191 4.391 4.391 4.307 0.084 18244 3784 1 9 . 1 1 34 34 PRO C C 191 178.600 178.600 176.521 2.079 18244 3785 1 9 . 1 1 34 34 PRO CA C 191 63.700 63.700 63.665 0.035 18244 3786 1 9 . 1 1 34 34 PRO CB C 191 32.000 32.000 31.865 0.135 18244 3787 1 9 . 1 1 35 35 ASN N N 192 112.827 112.827 116.076 -3.249 18244 3788 1 9 . 1 1 35 35 ASN HA H 192 4.456 4.456 4.331 0.125 18244 3789 1 9 . 1 1 35 35 ASN C C 192 176.500 176.500 173.465 3.035 18244 3790 1 9 . 1 1 35 35 ASN CA C 192 53.700 53.700 53.698 0.002 18244 3791 1 9 . 1 1 35 35 ASN CB C 192 37.300 37.300 37.836 -0.536 18244 3792 1 9 . 1 1 35 35 ASN H H 192 8.256 8.256 8.498 -0.242 18244 3793 1 9 . 1 1 36 36 ILE N N 193 119.133 119.133 117.491 1.642 18244 3794 1 9 . 1 1 36 36 ILE HA H 193 4.144 4.144 4.176 -0.032 18244 3795 1 9 . 1 1 36 36 ILE C C 193 177.200 177.200 175.157 2.043 18244 3796 1 9 . 1 1 36 36 ILE CA C 193 59.100 59.100 60.729 -1.629 18244 3797 1 9 . 1 1 36 36 ILE CB C 193 37.000 37.000 39.265 -2.265 18244 3798 1 9 . 1 1 36 36 ILE H H 193 7.166 7.166 7.676 -0.510 18244 3799 1 9 . 1 1 37 37 ASN N N 194 121.068 121.068 119.621 1.447 18244 3800 1 9 . 1 1 37 37 ASN HA H 194 4.667 4.667 4.693 -0.026 18244 3801 1 9 . 1 1 37 37 ASN C C 194 175.600 175.600 174.820 0.780 18244 3802 1 9 . 1 1 37 37 ASN CA C 194 53.400 53.400 53.807 -0.407 18244 3803 1 9 . 1 1 37 37 ASN CB C 194 40.400 40.400 39.609 0.791 18244 3804 1 9 . 1 1 37 37 ASN H H 194 8.764 8.764 8.527 0.237 18244 3805 1 9 . 1 1 38 38 THR N N 195 106.795 106.795 117.631 -10.836 18244 3806 1 9 . 1 1 38 38 THR HA H 195 4.924 4.924 4.447 0.477 18244 3807 1 9 . 1 1 38 38 THR C C 195 178.000 178.000 175.411 2.589 18244 3808 1 9 . 1 1 38 38 THR CA C 195 58.800 58.800 64.232 -5.432 18244 3809 1 9 . 1 1 38 38 THR CB C 195 73.500 73.500 68.362 5.138 18244 3810 1 9 . 1 1 38 38 THR H H 195 7.527 7.527 8.012 -0.485 18244 3811 1 9 . 1 1 39 39 TRP N N 196 123.744 123.744 128.754 -5.010 18244 3812 1 9 . 1 1 39 39 TRP HA H 196 4.533 4.533 4.219 0.314 18244 3813 1 9 . 1 1 39 39 TRP C C 196 182.300 182.300 178.481 3.819 18244 3814 1 9 . 1 1 39 39 TRP CA C 196 60.100 60.100 62.292 -2.192 18244 3815 1 9 . 1 1 39 39 TRP CB C 196 29.400 29.400 29.291 0.109 18244 3816 1 9 . 1 1 39 39 TRP H H 196 10.363 10.363 8.968 1.395 18244 3817 1 9 . 1 1 40 40 GLN N N 197 120.207 120.207 115.939 4.268 18244 3818 1 9 . 1 1 40 40 GLN HA H 197 4.268 4.268 4.097 0.171 18244 3819 1 9 . 1 1 40 40 GLN C C 197 180.900 180.900 178.037 2.863 18244 3820 1 9 . 1 1 40 40 GLN CA C 197 59.500 59.500 59.026 0.474 18244 3821 1 9 . 1 1 40 40 GLN CB C 197 28.500 28.500 27.640 0.860 18244 3822 1 9 . 1 1 40 40 GLN H H 197 8.550 8.550 8.845 -0.295 18244 3823 1 9 . 1 1 41 41 GLN N N 198 118.163 118.163 116.664 1.499 18244 3824 1 9 . 1 1 41 41 GLN HA H 198 4.191 4.191 4.308 -0.117 18244 3825 1 9 . 1 1 41 41 GLN C C 198 181.500 181.500 178.002 3.498 18244 3826 1 9 . 1 1 41 41 GLN CA C 198 58.500 58.500 57.425 1.075 18244 3827 1 9 . 1 1 41 41 GLN CB C 198 30.400 30.400 29.331 1.069 18244 3828 1 9 . 1 1 41 41 GLN H H 198 7.594 7.594 7.714 -0.120 18244 3829 1 9 . 1 1 42 42 VAL N N 199 121.112 121.112 119.267 1.845 18244 3830 1 9 . 1 1 42 42 VAL HA H 199 3.479 3.479 3.797 -0.318 18244 3831 1 9 . 1 1 42 42 VAL C C 199 180.000 180.000 177.994 2.006 18244 3832 1 9 . 1 1 42 42 VAL CA C 199 67.500 67.500 65.633 1.867 18244 3833 1 9 . 1 1 42 42 VAL CB C 199 32.000 32.000 32.117 -0.117 18244 3834 1 9 . 1 1 42 42 VAL H H 199 8.116 8.116 8.124 -0.008 18244 3835 1 9 . 1 1 43 43 THR N N 200 113.870 113.870 112.939 0.931 18244 3836 1 9 . 1 1 43 43 THR HA H 200 3.904 3.904 4.059 -0.155 18244 3837 1 9 . 1 1 43 43 THR C C 200 178.900 178.900 176.002 2.898 18244 3838 1 9 . 1 1 43 43 THR CA C 200 67.000 67.000 65.206 1.794 18244 3839 1 9 . 1 1 43 43 THR CB C 200 68.500 68.500 68.582 -0.082 18244 3840 1 9 . 1 1 43 43 THR H H 200 8.726 8.726 8.630 0.096 18244 3841 1 9 . 1 1 44 44 ALA N N 201 124.369 124.369 124.545 -0.176 18244 3842 1 9 . 1 1 44 44 ALA HA H 201 4.280 4.280 4.096 0.184 18244 3843 1 9 . 1 1 44 44 ALA C C 201 182.700 182.700 179.096 3.604 18244 3844 1 9 . 1 1 44 44 ALA CA C 201 55.500 55.500 54.679 0.821 18244 3845 1 9 . 1 1 44 44 ALA CB C 201 17.900 17.900 18.168 -0.268 18244 3846 1 9 . 1 1 44 44 ALA H H 201 7.539 7.539 8.131 -0.592 18244 3847 1 9 . 1 1 45 45 LEU N N 202 117.896 117.896 117.934 -0.038 18244 3848 1 9 . 1 1 45 45 LEU HA H 202 4.068 4.068 3.955 0.113 18244 3849 1 9 . 1 1 45 45 LEU C C 202 182.200 182.200 178.644 3.556 18244 3850 1 9 . 1 1 45 45 LEU CA C 202 58.100 58.100 57.452 0.648 18244 3851 1 9 . 1 1 45 45 LEU CB C 202 41.800 41.800 41.505 0.295 18244 3852 1 9 . 1 1 45 45 LEU H H 202 7.716 7.716 7.652 0.064 18244 3853 1 9 . 1 1 46 46 ALA N N 203 121.746 121.746 121.456 0.290 18244 3854 1 9 . 1 1 46 46 ALA HA H 203 4.184 4.184 4.079 0.105 18244 3855 1 9 . 1 1 46 46 ALA C C 203 184.300 184.300 179.828 4.472 18244 3856 1 9 . 1 1 46 46 ALA CA C 203 55.400 55.400 54.591 0.809 18244 3857 1 9 . 1 1 46 46 ALA CB C 203 18.100 18.100 18.667 -0.567 18244 3858 1 9 . 1 1 46 46 ALA H H 203 8.117 8.117 7.957 0.160 18244 3859 1 9 . 1 1 47 47 GLN N N 204 120.247 120.247 116.881 3.366 18244 3860 1 9 . 1 1 47 47 GLN HA H 204 4.088 4.088 4.039 0.049 18244 3861 1 9 . 1 1 47 47 GLN C C 204 180.100 180.100 177.927 2.173 18244 3862 1 9 . 1 1 47 47 GLN CA C 204 58.900 58.900 58.214 0.686 18244 3863 1 9 . 1 1 47 47 GLN CB C 204 28.500 28.500 28.784 -0.284 18244 3864 1 9 . 1 1 47 47 GLN H H 204 8.515 8.515 7.546 0.969 18244 3865 1 9 . 1 1 48 48 GLN N N 205 116.167 116.167 115.815 0.352 18244 3866 1 9 . 1 1 48 48 GLN HA H 205 4.290 4.290 4.418 -0.128 18244 3867 1 9 . 1 1 48 48 GLN C C 205 176.700 176.700 175.512 1.188 18244 3868 1 9 . 1 1 48 48 GLN CA C 205 55.900 55.900 55.009 0.891 18244 3869 1 9 . 1 1 48 48 GLN CB C 205 30.000 30.000 29.185 0.815 18244 3870 1 9 . 1 1 48 48 GLN H H 205 7.534 7.534 7.613 -0.079 18244 3871 1 9 . 1 1 49 49 LYS N N 206 113.354 113.354 116.305 -2.951 18244 3872 1 9 . 1 1 49 49 LYS HA H 206 4.118 4.118 4.057 0.061 18244 3873 1 9 . 1 1 49 49 LYS C C 206 178.700 178.700 176.689 2.011 18244 3874 1 9 . 1 1 49 49 LYS CA C 206 57.500 57.500 57.077 0.423 18244 3875 1 9 . 1 1 49 49 LYS CB C 206 28.300 28.300 29.915 -1.615 18244 3876 1 9 . 1 1 49 49 LYS H H 206 7.957 7.957 7.699 0.258 18244 3877 1 9 . 1 1 50 50 LEU N N 207 116.944 116.944 118.023 -1.079 18244 3878 1 9 . 1 1 50 50 LEU HA H 207 4.423 4.423 4.288 0.135 18244 3879 1 9 . 1 1 50 50 LEU C C 207 180.000 180.000 176.557 3.443 18244 3880 1 9 . 1 1 50 50 LEU CA C 207 55.300 55.300 54.203 1.097 18244 3881 1 9 . 1 1 50 50 LEU CB C 207 42.500 42.500 42.370 0.130 18244 3882 1 9 . 1 1 50 50 LEU H H 207 8.016 8.016 8.122 -0.106 18244 3883 1 9 . 1 1 51 51 LEU N N 208 117.793 117.793 120.257 -2.464 18244 3884 1 9 . 1 1 51 51 LEU HA H 208 4.922 4.922 4.576 0.346 18244 3885 1 9 . 1 1 51 51 LEU C C 208 179.000 179.000 176.474 2.526 18244 3886 1 9 . 1 1 51 51 LEU CA C 208 53.400 53.400 53.615 -0.215 18244 3887 1 9 . 1 1 51 51 LEU CB C 208 44.500 44.500 44.350 0.150 18244 3888 1 9 . 1 1 51 51 LEU H H 208 7.109 7.109 7.657 -0.548 18244 3889 1 9 . 1 1 52 52 THR N N 209 115.695 115.695 116.634 -0.939 18244 3890 1 9 . 1 1 52 52 THR HA H 209 4.623 4.623 4.695 -0.072 18244 3891 1 9 . 1 1 52 52 THR CA C 209 60.700 60.700 59.704 0.996 18244 3892 1 9 . 1 1 52 52 THR CB C 209 69.000 69.000 68.972 0.028 18244 3893 1 9 . 1 1 52 52 THR H H 209 9.460 9.460 9.137 0.323 18244 3894 1 9 . 1 1 53 53 PRO HA H 210 4.275 4.275 4.097 0.178 18244 3895 1 9 . 1 1 53 53 PRO C C 210 181.700 181.700 178.886 2.814 18244 3896 1 9 . 1 1 53 53 PRO CA C 210 66.000 66.000 66.112 -0.112 18244 3897 1 9 . 1 1 53 53 PRO CB C 210 31.600 31.600 31.750 -0.149 18244 3898 1 9 . 1 1 54 54 GLN N N 211 116.837 116.837 116.048 0.789 18244 3899 1 9 . 1 1 54 54 GLN HA H 211 4.119 4.119 4.076 0.043 18244 3900 1 9 . 1 1 54 54 GLN C C 211 181.500 181.500 177.873 3.627 18244 3901 1 9 . 1 1 54 54 GLN CA C 211 59.800 59.800 59.000 0.800 18244 3902 1 9 . 1 1 54 54 GLN CB C 211 28.100 28.100 28.418 -0.318 18244 3903 1 9 . 1 1 54 54 GLN H H 211 8.229 8.229 8.626 -0.397 18244 3904 1 9 . 1 1 55 55 ASP N N 212 123.621 123.621 120.106 3.515 18244 3905 1 9 . 1 1 55 55 ASP HA H 212 4.353 4.353 4.429 -0.076 18244 3906 1 9 . 1 1 55 55 ASP C C 212 181.100 181.100 178.428 2.672 18244 3907 1 9 . 1 1 55 55 ASP CA C 212 57.900 57.900 56.823 1.077 18244 3908 1 9 . 1 1 55 55 ASP CB C 212 41.700 41.700 40.431 1.269 18244 3909 1 9 . 1 1 55 55 ASP H H 212 7.957 7.957 7.493 0.464 18244 3910 1 9 . 1 1 56 56 MET N N 213 117.263 117.263 118.808 -1.545 18244 3911 1 9 . 1 1 56 56 MET HA H 213 4.380 4.380 4.139 0.241 18244 3912 1 9 . 1 1 56 56 MET C C 213 181.000 181.000 178.697 2.303 18244 3913 1 9 . 1 1 56 56 MET CA C 213 57.100 57.100 58.036 -0.936 18244 3914 1 9 . 1 1 56 56 MET CB C 213 31.200 31.200 31.642 -0.442 18244 3915 1 9 . 1 1 56 56 MET H H 213 8.314 8.314 8.379 -0.065 18244 3916 1 9 . 1 1 57 57 GLU N N 214 120.570 120.570 118.545 2.025 18244 3917 1 9 . 1 1 57 57 GLU HA H 214 4.085 4.085 4.084 0.001 18244 3918 1 9 . 1 1 57 57 GLU C C 214 181.700 181.700 178.893 2.807 18244 3919 1 9 . 1 1 57 57 GLU CA C 214 59.500 59.500 59.286 0.214 18244 3920 1 9 . 1 1 57 57 GLU CB C 214 29.300 29.300 29.355 -0.055 18244 3921 1 9 . 1 1 57 57 GLU H H 214 8.039 8.039 7.720 0.319 18244 3922 1 9 . 1 1 58 58 ALA N N 215 121.915 121.915 121.343 0.572 18244 3923 1 9 . 1 1 58 58 ALA HA H 215 4.361 4.361 4.183 0.178 18244 3924 1 9 . 1 1 58 58 ALA C C 215 182.800 182.800 179.672 3.128 18244 3925 1 9 . 1 1 58 58 ALA CA C 215 55.100 55.100 54.850 0.250 18244 3926 1 9 . 1 1 58 58 ALA CB C 215 18.500 18.500 18.256 0.244 18244 3927 1 9 . 1 1 58 58 ALA H H 215 7.571 7.571 7.452 0.119 18244 3928 1 9 . 1 1 59 59 ALA N N 216 120.749 120.749 120.636 0.113 18244 3929 1 9 . 1 1 59 59 ALA HA H 216 4.137 4.137 4.196 -0.059 18244 3930 1 9 . 1 1 59 59 ALA C C 216 180.800 180.800 179.735 1.065 18244 3931 1 9 . 1 1 59 59 ALA CA C 216 55.700 55.700 55.006 0.694 18244 3932 1 9 . 1 1 59 59 ALA CB C 216 18.100 18.100 18.337 -0.237 18244 3933 1 9 . 1 1 59 59 ALA H H 216 8.728 8.728 8.149 0.579 18244 3934 1 9 . 1 1 60 60 LYS N N 217 117.415 117.415 118.992 -1.577 18244 3935 1 9 . 1 1 60 60 LYS HA H 217 3.700 3.700 4.037 -0.337 18244 3936 1 9 . 1 1 60 60 LYS C C 217 181.300 181.300 179.165 2.135 18244 3937 1 9 . 1 1 60 60 LYS CA C 217 60.200 60.200 59.624 0.576 18244 3938 1 9 . 1 1 60 60 LYS CB C 217 32.600 32.600 32.343 0.257 18244 3939 1 9 . 1 1 60 60 LYS H H 217 8.292 8.292 7.708 0.584 18244 3940 1 9 . 1 1 61 61 GLN N N 218 118.499 118.499 119.420 -0.921 18244 3941 1 9 . 1 1 61 61 GLN HA H 218 4.171 4.171 4.084 0.087 18244 3942 1 9 . 1 1 61 61 GLN C C 218 181.500 181.500 178.454 3.046 18244 3943 1 9 . 1 1 61 61 GLN CA C 218 59.200 59.200 59.105 0.095 18244 3944 1 9 . 1 1 61 61 GLN CB C 218 29.400 29.400 28.681 0.719 18244 3945 1 9 . 1 1 61 61 GLN H H 218 7.401 7.401 7.618 -0.217 18244 3946 1 9 . 1 1 62 62 VAL N N 219 119.685 119.685 119.844 -0.159 18244 3947 1 9 . 1 1 62 62 VAL HA H 219 3.746 3.746 3.772 -0.026 18244 3948 1 9 . 1 1 62 62 VAL C C 219 179.400 179.400 178.108 1.292 18244 3949 1 9 . 1 1 62 62 VAL CA C 219 66.800 66.800 66.482 0.318 18244 3950 1 9 . 1 1 62 62 VAL CB C 219 31.900 31.900 31.137 0.763 18244 3951 1 9 . 1 1 62 62 VAL H H 219 8.036 8.036 7.642 0.394 18244 3952 1 9 . 1 1 63 63 TYR N N 220 123.794 123.794 121.149 2.645 18244 3953 1 9 . 1 1 63 63 TYR HA H 220 3.725 3.725 4.105 -0.380 18244 3954 1 9 . 1 1 63 63 TYR C C 220 179.300 179.300 177.809 1.491 18244 3955 1 9 . 1 1 63 63 TYR CA C 220 62.200 62.200 61.694 0.506 18244 3956 1 9 . 1 1 63 63 TYR CB C 220 38.000 38.000 38.001 -0.001 18244 3957 1 9 . 1 1 63 63 TYR H H 220 8.802 8.802 7.918 0.884 18244 3958 1 9 . 1 1 64 64 LYS N N 221 117.772 117.772 119.118 -1.346 18244 3959 1 9 . 1 1 64 64 LYS HA H 221 3.864 3.864 3.788 0.076 18244 3960 1 9 . 1 1 64 64 LYS C C 221 181.700 181.700 179.194 2.506 18244 3961 1 9 . 1 1 64 64 LYS CA C 221 59.800 59.800 59.696 0.104 18244 3962 1 9 . 1 1 64 64 LYS CB C 221 32.200 32.200 32.461 -0.261 18244 3963 1 9 . 1 1 64 64 LYS H H 221 7.452 7.452 7.810 -0.358 18244 3964 1 9 . 1 1 65 65 ILE N N 222 119.985 119.985 120.231 -0.246 18244 3965 1 9 . 1 1 65 65 ILE HA H 222 3.757 3.757 3.639 0.118 18244 3966 1 9 . 1 1 65 65 ILE C C 222 180.700 180.700 177.823 2.877 18244 3967 1 9 . 1 1 65 65 ILE CA C 222 65.000 65.000 65.780 -0.780 18244 3968 1 9 . 1 1 65 65 ILE CB C 222 38.200 38.200 38.080 0.120 18244 3969 1 9 . 1 1 65 65 ILE H H 222 7.673 7.673 8.259 -0.586 18244 3970 1 9 . 1 1 66 66 HIS N N 223 121.506 121.506 119.296 2.210 18244 3971 1 9 . 1 1 66 66 HIS HA H 223 4.343 4.343 4.165 0.178 18244 3972 1 9 . 1 1 66 66 HIS C C 223 179.400 179.400 177.778 1.622 18244 3973 1 9 . 1 1 66 66 HIS CA C 223 57.500 57.500 59.440 -1.940 18244 3974 1 9 . 1 1 66 66 HIS CB C 223 32.800 32.800 30.356 2.444 18244 3975 1 9 . 1 1 66 66 HIS H H 223 8.943 8.943 8.355 0.588 18244 3976 1 9 . 1 1 67 67 GLN N N 224 117.421 117.421 116.474 0.947 18244 3977 1 9 . 1 1 67 67 GLN HA H 224 3.720 3.720 3.822 -0.102 18244 3978 1 9 . 1 1 67 67 GLN C C 224 180.200 180.200 178.236 1.964 18244 3979 1 9 . 1 1 67 67 GLN CA C 224 59.800 59.800 59.166 0.634 18244 3980 1 9 . 1 1 67 67 GLN CB C 224 29.500 29.500 27.991 1.509 18244 3981 1 9 . 1 1 67 67 GLN H H 224 8.526 8.526 7.875 0.651 18244 3982 1 9 . 1 1 68 68 GLN N N 225 117.385 117.385 119.346 -1.961 18244 3983 1 9 . 1 1 68 68 GLN HA H 225 4.017 4.017 4.135 -0.118 18244 3984 1 9 . 1 1 68 68 GLN C C 225 181.100 181.100 178.374 2.726 18244 3985 1 9 . 1 1 68 68 GLN CA C 225 59.200 59.200 58.465 0.735 18244 3986 1 9 . 1 1 68 68 GLN CB C 225 28.400 28.400 28.608 -0.208 18244 3987 1 9 . 1 1 68 68 GLN H H 225 7.673 7.673 7.471 0.202 18244 3988 1 9 . 1 1 69 69 LEU N N 226 120.608 120.608 122.118 -1.510 18244 3989 1 9 . 1 1 69 69 LEU HA H 226 4.126 4.126 4.113 0.013 18244 3990 1 9 . 1 1 69 69 LEU C C 226 182.700 182.700 178.687 4.013 18244 3991 1 9 . 1 1 69 69 LEU CA C 226 58.200 58.200 57.972 0.228 18244 3992 1 9 . 1 1 69 69 LEU CB C 226 42.000 42.000 41.974 0.026 18244 3993 1 9 . 1 1 69 69 LEU H H 226 8.227 8.227 7.811 0.416 18244 3994 1 9 . 1 1 70 70 LEU N N 227 120.607 120.607 118.267 2.340 18244 3995 1 9 . 1 1 70 70 LEU HA H 227 4.108 4.108 3.912 0.196 18244 3996 1 9 . 1 1 70 70 LEU C C 227 181.900 181.900 179.103 2.797 18244 3997 1 9 . 1 1 70 70 LEU CA C 227 57.700 57.700 57.681 0.019 18244 3998 1 9 . 1 1 70 70 LEU CB C 227 41.900 41.900 41.409 0.491 18244 3999 1 9 . 1 1 70 70 LEU H H 227 8.273 8.273 8.123 0.150 18244 4000 1 9 . 1 1 71 71 PHE N N 228 119.975 119.975 119.863 0.112 18244 4001 1 9 . 1 1 71 71 PHE HA H 228 4.315 4.315 4.067 0.248 18244 4002 1 9 . 1 1 71 71 PHE C C 228 180.100 180.100 177.048 3.052 18244 4003 1 9 . 1 1 71 71 PHE CA C 228 60.200 60.200 61.574 -1.374 18244 4004 1 9 . 1 1 71 71 PHE CB C 228 39.000 39.000 39.146 -0.146 18244 4005 1 9 . 1 1 71 71 PHE H H 228 8.469 8.469 7.462 1.008 18244 4006 1 9 . 1 1 72 72 LYS N N 229 119.148 119.148 118.101 1.047 18244 4007 1 9 . 1 1 72 72 LYS HA H 229 4.012 4.012 3.932 0.080 18244 4008 1 9 . 1 1 72 72 LYS C C 229 180.400 180.400 178.787 1.613 18244 4009 1 9 . 1 1 72 72 LYS CA C 229 58.800 58.800 58.206 0.594 18244 4010 1 9 . 1 1 72 72 LYS CB C 229 32.300 32.300 31.656 0.644 18244 4011 1 9 . 1 1 72 72 LYS H H 229 8.143 8.143 7.839 0.304 18244 4012 1 9 . 1 1 73 73 ALA N N 230 121.483 121.483 121.296 0.187 18244 4013 1 9 . 1 1 73 73 ALA HA H 230 4.224 4.224 4.195 0.029 18244 4014 1 9 . 1 1 73 73 ALA C C 230 181.600 181.600 179.156 2.444 18244 4015 1 9 . 1 1 73 73 ALA CA C 230 54.200 54.200 54.515 -0.315 18244 4016 1 9 . 1 1 73 73 ALA CB C 230 18.500 18.500 18.298 0.202 18244 4017 1 9 . 1 1 73 73 ALA H H 230 7.886 7.886 7.851 0.035 18244 4018 1 9 . 1 1 74 74 ARG N N 231 118.073 118.073 116.998 1.075 18244 4019 1 9 . 1 1 74 74 ARG HA H 231 4.189 4.189 4.115 0.074 18244 4020 1 9 . 1 1 74 74 ARG C C 231 179.900 179.900 177.783 2.117 18244 4021 1 9 . 1 1 74 74 ARG CA C 231 57.600 57.600 57.848 -0.248 18244 4022 1 9 . 1 1 74 74 ARG CB C 231 30.100 30.100 30.532 -0.432 18244 4023 1 9 . 1 1 74 74 ARG H H 231 7.849 7.849 7.514 0.335 18244 4024 1 9 . 1 1 75 75 LEU N N 232 120.575 120.575 118.928 1.647 18244 4025 1 9 . 1 1 75 75 LEU HA H 232 4.181 4.181 4.120 0.061 18244 4026 1 9 . 1 1 75 75 LEU C C 232 180.600 180.600 177.232 3.368 18244 4027 1 9 . 1 1 75 75 LEU CA C 232 56.400 56.400 55.386 1.014 18244 4028 1 9 . 1 1 75 75 LEU CB C 232 42.000 42.000 42.554 -0.554 18244 4029 1 9 . 1 1 75 75 LEU H H 232 7.847 7.847 7.211 0.636 18244 4030 1 9 . 1 1 76 76 GLN N N 233 118.890 118.890 116.358 2.532 18244 4031 1 9 . 1 1 76 76 GLN HA H 233 4.220 4.220 4.011 0.209 18244 4032 1 9 . 1 1 76 76 GLN C C 233 179.100 179.100 176.089 3.011 18244 4033 1 9 . 1 1 76 76 GLN CA C 233 56.900 56.900 56.067 0.833 18244 4034 1 9 . 1 1 76 76 GLN CB C 233 29.000 29.000 28.483 0.517 18244 4035 1 9 . 1 1 76 76 GLN H H 233 8.008 8.008 7.926 0.082 18244 4036 1 9 . 1 1 77 77 GLN N N 234 119.836 119.836 121.296 -1.460 18244 4037 1 9 . 1 1 77 77 GLN HA H 234 4.263 4.263 4.198 0.065 18244 4038 1 9 . 1 1 77 77 GLN C C 234 178.700 178.700 175.568 3.132 18244 4039 1 9 . 1 1 77 77 GLN CA C 234 56.700 56.700 56.846 -0.146 18244 4040 1 9 . 1 1 77 77 GLN CB C 234 29.100 29.100 29.134 -0.034 18244 4041 1 9 . 1 1 77 77 GLN H H 234 8.078 8.078 8.521 -0.443 18244 4042 1 9 . 1 1 78 78 GLN N N 235 120.341 120.341 117.122 3.219 18244 4043 1 9 . 1 1 78 78 GLN HA H 235 4.288 4.288 4.581 -0.293 18244 4044 1 9 . 1 1 78 78 GLN C C 235 178.400 178.400 174.456 3.944 18244 4045 1 9 . 1 1 78 78 GLN CA C 235 56.400 56.400 55.169 1.231 18244 4046 1 9 . 1 1 78 78 GLN CB C 235 29.300 29.300 30.366 -1.066 18244 4047 1 9 . 1 1 78 78 GLN H H 235 8.226 8.226 7.811 0.415 18244 4048 1 9 . 1 1 79 79 GLN N N 236 120.708 120.708 121.848 -1.140 18244 4049 1 9 . 1 1 79 79 GLN HA H 236 4.316 4.316 4.457 -0.141 18244 4050 1 9 . 1 1 79 79 GLN C C 236 177.800 177.800 175.103 2.697 18244 4051 1 9 . 1 1 79 79 GLN CA C 236 55.900 55.900 55.495 0.405 18244 4052 1 9 . 1 1 79 79 GLN CB C 236 29.500 29.500 30.084 -0.584 18244 4053 1 9 . 1 1 79 79 GLN H H 236 8.253 8.253 8.469 -0.216 18244 4054 1 9 . 1 1 80 80 ALA N N 237 125.698 125.698 127.518 -1.820 18244 4055 1 9 . 1 1 80 80 ALA HA H 237 4.336 4.336 4.488 -0.152 18244 4056 1 9 . 1 1 80 80 ALA C C 237 179.000 179.000 177.577 1.423 18244 4057 1 9 . 1 1 80 80 ALA CA C 237 52.800 52.800 52.857 -0.057 18244 4058 1 9 . 1 1 80 80 ALA CB C 237 19.300 19.300 19.364 -0.064 18244 4059 1 9 . 1 1 80 80 ALA H H 237 8.237 8.237 8.574 -0.337 18244 4060 1 10 . 1 1 2 2 ARG HA H 159 4.353 4.353 4.538 -0.185 18244 4061 1 10 . 1 1 2 2 ARG C C 159 178.200 178.200 176.218 1.982 18244 4062 1 10 . 1 1 2 2 ARG CA C 159 56.300 56.300 56.878 -0.578 18244 4063 1 10 . 1 1 2 2 ARG CB C 159 30.900 30.900 30.645 0.255 18244 4064 1 10 . 1 1 3 3 ARG N N 160 123.623 123.623 123.613 0.010 18244 4065 1 10 . 1 1 3 3 ARG HA H 160 4.306 4.306 4.342 -0.036 18244 4066 1 10 . 1 1 3 3 ARG C C 160 178.000 178.000 175.189 2.811 18244 4067 1 10 . 1 1 3 3 ARG CA C 160 56.100 56.100 55.473 0.627 18244 4068 1 10 . 1 1 3 3 ARG CB C 160 31.000 31.000 29.365 1.635 18244 4069 1 10 . 1 1 3 3 ARG H H 160 8.558 8.558 8.524 0.034 18244 4070 1 10 . 1 1 4 4 GLN N N 161 122.962 122.962 117.935 5.027 18244 4071 1 10 . 1 1 4 4 GLN HA H 161 4.355 4.355 4.279 0.076 18244 4072 1 10 . 1 1 4 4 GLN C C 161 177.900 177.900 174.499 3.401 18244 4073 1 10 . 1 1 4 4 GLN CA C 161 55.500 55.500 56.489 -0.988 18244 4074 1 10 . 1 1 4 4 GLN CB C 161 29.600 29.600 28.083 1.517 18244 4075 1 10 . 1 1 4 4 GLN H H 161 8.515 8.515 8.016 0.499 18244 4076 1 10 . 1 1 5 5 LEU N N 162 124.755 124.755 127.921 -3.166 18244 4077 1 10 . 1 1 5 5 LEU HA H 162 4.577 4.577 4.717 -0.140 18244 4078 1 10 . 1 1 5 5 LEU C C 162 180.500 180.500 176.358 4.142 18244 4079 1 10 . 1 1 5 5 LEU CA C 162 54.700 54.700 56.330 -1.630 18244 4080 1 10 . 1 1 5 5 LEU CB C 162 42.900 42.900 43.198 -0.298 18244 4081 1 10 . 1 1 5 5 LEU H H 162 8.480 8.480 8.431 0.049 18244 4082 1 10 . 1 1 6 6 THR N N 163 114.727 114.727 109.596 5.131 18244 4083 1 10 . 1 1 6 6 THR HA H 163 4.596 4.596 4.754 -0.158 18244 4084 1 10 . 1 1 6 6 THR CA C 163 60.200 60.200 58.356 1.844 18244 4085 1 10 . 1 1 6 6 THR CB C 163 68.200 68.200 71.013 -2.813 18244 4086 1 10 . 1 1 6 6 THR H H 163 8.623 8.623 7.762 0.861 18244 4087 1 10 . 1 1 7 7 PRO HA H 164 4.263 4.263 4.253 0.010 18244 4088 1 10 . 1 1 7 7 PRO C C 164 181.600 181.600 178.362 3.238 18244 4089 1 10 . 1 1 7 7 PRO CA C 164 65.900 65.900 65.048 0.852 18244 4090 1 10 . 1 1 7 7 PRO CB C 164 31.600 31.600 32.073 -0.473 18244 4091 1 10 . 1 1 8 8 GLN N N 165 116.429 116.429 116.734 -0.305 18244 4092 1 10 . 1 1 8 8 GLN HA H 165 4.063 4.063 4.165 -0.102 18244 4093 1 10 . 1 1 8 8 GLN C C 165 181.300 181.300 178.627 2.673 18244 4094 1 10 . 1 1 8 8 GLN CA C 165 59.500 59.500 58.892 0.608 18244 4095 1 10 . 1 1 8 8 GLN CB C 165 28.300 28.300 27.521 0.779 18244 4096 1 10 . 1 1 8 8 GLN H H 165 8.439 8.439 8.776 -0.337 18244 4097 1 10 . 1 1 9 9 GLN N N 166 120.164 120.164 118.684 1.480 18244 4098 1 10 . 1 1 9 9 GLN HA H 166 3.948 3.948 4.086 -0.138 18244 4099 1 10 . 1 1 9 9 GLN C C 166 180.600 180.600 178.321 2.279 18244 4100 1 10 . 1 1 9 9 GLN CA C 166 58.700 58.700 58.900 -0.200 18244 4101 1 10 . 1 1 9 9 GLN CB C 166 29.300 29.300 28.535 0.765 18244 4102 1 10 . 1 1 9 9 GLN H H 166 7.760 7.760 8.024 -0.264 18244 4103 1 10 . 1 1 10 10 GLN N N 167 119.164 119.164 119.477 -0.313 18244 4104 1 10 . 1 1 10 10 GLN HA H 167 3.860 3.860 3.970 -0.110 18244 4105 1 10 . 1 1 10 10 GLN C C 167 180.300 180.300 178.702 1.598 18244 4106 1 10 . 1 1 10 10 GLN CA C 167 58.600 58.600 59.002 -0.402 18244 4107 1 10 . 1 1 10 10 GLN CB C 167 29.000 29.000 28.449 0.551 18244 4108 1 10 . 1 1 10 10 GLN H H 167 8.787 8.787 8.455 0.332 18244 4109 1 10 . 1 1 11 11 GLN N N 168 118.139 118.139 118.073 0.066 18244 4110 1 10 . 1 1 11 11 GLN HA H 168 4.111 4.111 4.104 0.007 18244 4111 1 10 . 1 1 11 11 GLN C C 168 180.600 180.600 178.221 2.379 18244 4112 1 10 . 1 1 11 11 GLN CA C 168 58.900 58.900 58.469 0.431 18244 4113 1 10 . 1 1 11 11 GLN CB C 168 28.500 28.500 28.730 -0.230 18244 4114 1 10 . 1 1 11 11 GLN H H 168 7.987 7.987 7.697 0.290 18244 4115 1 10 . 1 1 12 12 LEU N N 169 120.649 120.649 118.614 2.035 18244 4116 1 10 . 1 1 12 12 LEU HA H 169 4.138 4.138 4.202 -0.064 18244 4117 1 10 . 1 1 12 12 LEU C C 169 181.300 181.300 179.240 2.060 18244 4118 1 10 . 1 1 12 12 LEU CA C 169 58.100 58.100 57.180 0.920 18244 4119 1 10 . 1 1 12 12 LEU CB C 169 41.600 41.600 42.433 -0.833 18244 4120 1 10 . 1 1 12 12 LEU H H 169 7.457 7.457 7.573 -0.116 18244 4121 1 10 . 1 1 13 13 VAL N N 170 119.772 119.772 117.575 2.197 18244 4122 1 10 . 1 1 13 13 VAL HA H 170 3.570 3.570 3.616 -0.046 18244 4123 1 10 . 1 1 13 13 VAL C C 170 180.700 180.700 177.046 3.654 18244 4124 1 10 . 1 1 13 13 VAL CA C 170 66.700 66.700 65.681 1.019 18244 4125 1 10 . 1 1 13 13 VAL CB C 170 31.700 31.700 31.638 0.062 18244 4126 1 10 . 1 1 13 13 VAL H H 170 8.101 8.101 8.415 -0.314 18244 4127 1 10 . 1 1 14 14 ASN N N 171 118.278 118.278 116.979 1.299 18244 4128 1 10 . 1 1 14 14 ASN HA H 171 4.454 4.454 4.468 -0.014 18244 4129 1 10 . 1 1 14 14 ASN C C 171 180.800 180.800 178.065 2.735 18244 4130 1 10 . 1 1 14 14 ASN CA C 171 56.000 56.000 56.035 -0.035 18244 4131 1 10 . 1 1 14 14 ASN CB C 171 37.600 37.600 38.573 -0.973 18244 4132 1 10 . 1 1 14 14 ASN H H 171 8.253 8.253 7.834 0.419 18244 4133 1 10 . 1 1 15 15 GLN N N 172 120.079 120.079 117.854 2.225 18244 4134 1 10 . 1 1 15 15 GLN HA H 172 4.152 4.152 4.230 -0.078 18244 4135 1 10 . 1 1 15 15 GLN C C 172 181.100 181.100 177.151 3.949 18244 4136 1 10 . 1 1 15 15 GLN CA C 172 58.600 58.600 58.024 0.576 18244 4137 1 10 . 1 1 15 15 GLN CB C 172 28.800 28.800 28.889 -0.089 18244 4138 1 10 . 1 1 15 15 GLN H H 172 8.112 8.112 7.596 0.516 18244 4139 1 10 . 1 1 16 16 MET N N 173 118.323 118.323 116.138 2.185 18244 4140 1 10 . 1 1 16 16 MET HA H 173 4.266 4.266 4.361 -0.095 18244 4141 1 10 . 1 1 16 16 MET C C 173 180.300 180.300 176.852 3.448 18244 4142 1 10 . 1 1 16 16 MET CA C 173 57.300 57.300 54.854 2.446 18244 4143 1 10 . 1 1 16 16 MET CB C 173 31.400 31.400 31.391 0.009 18244 4144 1 10 . 1 1 16 16 MET H H 173 8.371 8.371 7.346 1.025 18244 4145 1 10 . 1 1 17 17 LYS N N 174 117.179 117.179 119.727 -2.548 18244 4146 1 10 . 1 1 17 17 LYS HA H 174 4.450 4.450 4.251 0.199 18244 4147 1 10 . 1 1 17 17 LYS C C 174 178.400 178.400 176.664 1.736 18244 4148 1 10 . 1 1 17 17 LYS CA C 174 55.800 55.800 57.669 -1.869 18244 4149 1 10 . 1 1 17 17 LYS CB C 174 33.600 33.600 33.645 -0.045 18244 4150 1 10 . 1 1 17 17 LYS H H 174 7.798 7.798 7.550 0.248 18244 4151 1 10 . 1 1 18 18 VAL N N 175 135.773 135.773 115.846 19.927 18244 4152 1 10 . 1 1 18 18 VAL HA H 175 4.674 4.674 4.628 0.046 18244 4153 1 10 . 1 1 18 18 VAL C C 175 177.700 177.700 174.348 3.352 18244 4154 1 10 . 1 1 18 18 VAL CA C 175 60.100 60.100 60.493 -0.393 18244 4155 1 10 . 1 1 18 18 VAL CB C 175 33.200 33.200 31.654 1.546 18244 4156 1 10 . 1 1 18 18 VAL H H 175 6.894 6.894 7.354 -0.460 18244 4157 1 10 . 1 1 19 19 ALA N N 176 127.267 127.267 129.013 -1.746 18244 4158 1 10 . 1 1 19 19 ALA HA H 176 4.653 4.653 4.883 -0.230 18244 4159 1 10 . 1 1 19 19 ALA CA C 176 50.200 50.200 50.567 -0.367 18244 4160 1 10 . 1 1 19 19 ALA CB C 176 18.800 18.800 21.197 -2.397 18244 4161 1 10 . 1 1 19 19 ALA H H 176 7.508 7.508 8.369 -0.861 18244 4162 1 10 . 1 1 20 20 PRO HA H 177 4.439 4.439 4.937 -0.498 18244 4163 1 10 . 1 1 20 20 PRO C C 177 179.700 179.700 176.197 3.503 18244 4164 1 10 . 1 1 20 20 PRO CA C 177 62.900 62.900 62.016 0.884 18244 4165 1 10 . 1 1 20 20 PRO CB C 177 31.400 31.400 32.556 -1.156 18244 4166 1 10 . 1 1 21 21 ILE N N 178 128.957 128.957 123.816 5.141 18244 4167 1 10 . 1 1 21 21 ILE HA H 178 3.571 3.571 3.754 -0.183 18244 4168 1 10 . 1 1 21 21 ILE CA C 178 59.700 59.700 59.928 -0.228 18244 4169 1 10 . 1 1 21 21 ILE CB C 178 39.300 39.300 36.793 2.507 18244 4170 1 10 . 1 1 21 21 ILE H H 178 8.659 8.659 8.700 -0.041 18244 4171 1 10 . 1 1 22 22 PRO HA H 179 4.298 4.298 4.404 -0.106 18244 4172 1 10 . 1 1 22 22 PRO C C 179 180.600 180.600 177.047 3.553 18244 4173 1 10 . 1 1 22 22 PRO CA C 179 62.900 62.900 62.222 0.678 18244 4174 1 10 . 1 1 22 22 PRO CB C 179 32.600 32.600 32.576 0.024 18244 4175 1 10 . 1 1 23 23 LYS N N 180 126.052 126.052 121.680 4.372 18244 4176 1 10 . 1 1 23 23 LYS HA H 180 3.848 3.848 3.893 -0.045 18244 4177 1 10 . 1 1 23 23 LYS C C 180 180.300 180.300 178.980 1.320 18244 4178 1 10 . 1 1 23 23 LYS CA C 180 60.200 60.200 60.182 0.018 18244 4179 1 10 . 1 1 23 23 LYS CB C 180 32.400 32.400 31.943 0.457 18244 4180 1 10 . 1 1 23 23 LYS H H 180 8.871 8.871 8.589 0.282 18244 4181 1 10 . 1 1 24 24 GLN N N 181 115.658 115.658 116.168 -0.510 18244 4182 1 10 . 1 1 24 24 GLN HA H 181 4.102 4.102 4.031 0.071 18244 4183 1 10 . 1 1 24 24 GLN C C 181 179.000 179.000 177.319 1.681 18244 4184 1 10 . 1 1 24 24 GLN CA C 181 58.600 58.600 58.650 -0.050 18244 4185 1 10 . 1 1 24 24 GLN CB C 181 27.400 27.400 28.424 -1.024 18244 4186 1 10 . 1 1 24 24 GLN H H 181 9.038 9.038 8.356 0.682 18244 4187 1 10 . 1 1 25 25 LEU N N 182 117.088 117.088 117.452 -0.364 18244 4188 1 10 . 1 1 25 25 LEU HA H 182 4.231 4.231 4.244 -0.013 18244 4189 1 10 . 1 1 25 25 LEU C C 182 180.300 180.300 179.196 1.104 18244 4190 1 10 . 1 1 25 25 LEU CA C 182 56.600 56.600 56.032 0.568 18244 4191 1 10 . 1 1 25 25 LEU CB C 182 40.900 40.900 42.505 -1.605 18244 4192 1 10 . 1 1 25 25 LEU H H 182 7.309 7.309 7.389 -0.080 18244 4193 1 10 . 1 1 26 26 LEU N N 183 120.917 120.917 120.838 0.079 18244 4194 1 10 . 1 1 26 26 LEU HA H 183 3.699 3.699 3.891 -0.192 18244 4195 1 10 . 1 1 26 26 LEU C C 183 181.300 181.300 179.195 2.105 18244 4196 1 10 . 1 1 26 26 LEU CA C 183 57.900 57.900 57.684 0.216 18244 4197 1 10 . 1 1 26 26 LEU CB C 183 42.400 42.400 41.475 0.925 18244 4198 1 10 . 1 1 26 26 LEU H H 183 7.842 7.842 8.070 -0.228 18244 4199 1 10 . 1 1 27 27 GLN N N 184 112.112 112.112 117.093 -4.981 18244 4200 1 10 . 1 1 27 27 GLN HA H 184 4.082 4.082 4.144 -0.062 18244 4201 1 10 . 1 1 27 27 GLN C C 184 178.800 178.800 177.208 1.592 18244 4202 1 10 . 1 1 27 27 GLN CA C 184 57.300 57.300 57.833 -0.533 18244 4203 1 10 . 1 1 27 27 GLN CB C 184 28.500 28.500 28.463 0.037 18244 4204 1 10 . 1 1 27 27 GLN H H 184 7.505 7.505 8.011 -0.506 18244 4205 1 10 . 1 1 28 28 ARG N N 185 116.659 116.659 118.000 -1.341 18244 4206 1 10 . 1 1 28 28 ARG HA H 185 4.187 4.187 4.335 -0.148 18244 4207 1 10 . 1 1 28 28 ARG C C 185 177.900 177.900 176.208 1.692 18244 4208 1 10 . 1 1 28 28 ARG CA C 185 56.600 56.600 56.920 -0.320 18244 4209 1 10 . 1 1 28 28 ARG CB C 185 30.700 30.700 31.551 -0.851 18244 4210 1 10 . 1 1 28 28 ARG H H 185 7.488 7.488 7.556 -0.068 18244 4211 1 10 . 1 1 29 29 ILE N N 186 121.078 121.078 122.376 -1.298 18244 4212 1 10 . 1 1 29 29 ILE HA H 186 4.352 4.352 4.472 -0.120 18244 4213 1 10 . 1 1 29 29 ILE CA C 186 59.300 59.300 58.624 0.676 18244 4214 1 10 . 1 1 29 29 ILE CB C 186 37.800 37.800 37.869 -0.069 18244 4215 1 10 . 1 1 29 29 ILE H H 186 7.630 7.630 7.354 0.276 18244 4216 1 10 . 1 1 30 30 PRO HA H 187 4.256 4.256 4.620 -0.364 18244 4217 1 10 . 1 1 30 30 PRO C C 187 178.500 178.500 176.371 2.129 18244 4218 1 10 . 1 1 30 30 PRO CA C 187 64.100 64.100 61.712 2.388 18244 4219 1 10 . 1 1 30 30 PRO CB C 187 32.400 32.400 32.688 -0.288 18244 4220 1 10 . 1 1 31 31 ASN N N 188 110.335 110.335 115.522 -5.187 18244 4221 1 10 . 1 1 31 31 ASN HA H 188 4.398 4.398 4.528 -0.130 18244 4222 1 10 . 1 1 31 31 ASN C C 188 177.500 177.500 173.962 3.538 18244 4223 1 10 . 1 1 31 31 ASN CA C 188 54.400 54.400 54.839 -0.439 18244 4224 1 10 . 1 1 31 31 ASN CB C 188 37.700 37.700 38.414 -0.714 18244 4225 1 10 . 1 1 31 31 ASN H H 188 8.464 8.464 8.682 -0.218 18244 4226 1 10 . 1 1 32 32 ILE N N 189 117.608 117.608 115.580 2.028 18244 4227 1 10 . 1 1 32 32 ILE HA H 189 4.416 4.416 4.460 -0.044 18244 4228 1 10 . 1 1 32 32 ILE CA C 189 58.100 58.100 57.714 0.386 18244 4229 1 10 . 1 1 32 32 ILE CB C 189 38.600 38.600 40.596 -1.996 18244 4230 1 10 . 1 1 32 32 ILE H H 189 7.325 7.325 7.276 0.049 18244 4231 1 10 . 1 1 33 33 PRO HA H 190 4.749 4.749 4.756 -0.007 18244 4232 1 10 . 1 1 33 33 PRO CA C 190 61.700 61.700 61.064 0.636 18244 4233 1 10 . 1 1 33 33 PRO CB C 190 31.000 31.000 32.098 -1.098 18244 4234 1 10 . 1 1 34 34 PRO HA H 191 4.391 4.391 4.189 0.202 18244 4235 1 10 . 1 1 34 34 PRO C C 191 178.600 178.600 176.803 1.797 18244 4236 1 10 . 1 1 34 34 PRO CA C 191 63.700 63.700 64.242 -0.542 18244 4237 1 10 . 1 1 34 34 PRO CB C 191 32.000 32.000 32.137 -0.137 18244 4238 1 10 . 1 1 35 35 ASN N N 192 112.827 112.827 114.462 -1.635 18244 4239 1 10 . 1 1 35 35 ASN HA H 192 4.456 4.456 4.515 -0.059 18244 4240 1 10 . 1 1 35 35 ASN C C 192 176.500 176.500 174.397 2.103 18244 4241 1 10 . 1 1 35 35 ASN CA C 192 53.700 53.700 54.202 -0.502 18244 4242 1 10 . 1 1 35 35 ASN CB C 192 37.300 37.300 37.937 -0.637 18244 4243 1 10 . 1 1 35 35 ASN H H 192 8.256 8.256 8.769 -0.513 18244 4244 1 10 . 1 1 36 36 ILE N N 193 119.133 119.133 112.316 6.817 18244 4245 1 10 . 1 1 36 36 ILE HA H 193 4.144 4.144 4.218 -0.074 18244 4246 1 10 . 1 1 36 36 ILE C C 193 177.200 177.200 174.059 3.141 18244 4247 1 10 . 1 1 36 36 ILE CA C 193 59.100 59.100 59.744 -0.644 18244 4248 1 10 . 1 1 36 36 ILE CB C 193 37.000 37.000 39.204 -2.204 18244 4249 1 10 . 1 1 36 36 ILE H H 193 7.166 7.166 7.446 -0.280 18244 4250 1 10 . 1 1 37 37 ASN N N 194 121.068 121.068 115.341 5.727 18244 4251 1 10 . 1 1 37 37 ASN HA H 194 4.667 4.667 4.628 0.039 18244 4252 1 10 . 1 1 37 37 ASN C C 194 175.600 175.600 174.963 0.637 18244 4253 1 10 . 1 1 37 37 ASN CA C 194 53.400 53.400 53.312 0.088 18244 4254 1 10 . 1 1 37 37 ASN CB C 194 40.400 40.400 40.698 -0.298 18244 4255 1 10 . 1 1 37 37 ASN H H 194 8.764 8.764 8.681 0.083 18244 4256 1 10 . 1 1 38 38 THR N N 195 106.795 106.795 115.475 -8.680 18244 4257 1 10 . 1 1 38 38 THR HA H 195 4.924 4.924 4.411 0.513 18244 4258 1 10 . 1 1 38 38 THR C C 195 178.000 178.000 174.905 3.095 18244 4259 1 10 . 1 1 38 38 THR CA C 195 58.800 58.800 63.193 -4.393 18244 4260 1 10 . 1 1 38 38 THR CB C 195 73.500 73.500 68.680 4.820 18244 4261 1 10 . 1 1 38 38 THR H H 195 7.527 7.527 7.624 -0.097 18244 4262 1 10 . 1 1 39 39 TRP N N 196 123.744 123.744 127.843 -4.099 18244 4263 1 10 . 1 1 39 39 TRP HA H 196 4.533 4.533 4.249 0.284 18244 4264 1 10 . 1 1 39 39 TRP C C 196 182.300 182.300 178.210 4.090 18244 4265 1 10 . 1 1 39 39 TRP CA C 196 60.100 60.100 61.489 -1.389 18244 4266 1 10 . 1 1 39 39 TRP CB C 196 29.400 29.400 29.422 -0.022 18244 4267 1 10 . 1 1 39 39 TRP H H 196 10.363 10.363 8.463 1.900 18244 4268 1 10 . 1 1 40 40 GLN N N 197 120.207 120.207 116.315 3.892 18244 4269 1 10 . 1 1 40 40 GLN HA H 197 4.268 4.268 4.099 0.169 18244 4270 1 10 . 1 1 40 40 GLN C C 197 180.900 180.900 178.316 2.584 18244 4271 1 10 . 1 1 40 40 GLN CA C 197 59.500 59.500 59.313 0.187 18244 4272 1 10 . 1 1 40 40 GLN CB C 197 28.500 28.500 27.867 0.633 18244 4273 1 10 . 1 1 40 40 GLN H H 197 8.550 8.550 8.851 -0.301 18244 4274 1 10 . 1 1 41 41 GLN N N 198 118.163 118.163 118.678 -0.515 18244 4275 1 10 . 1 1 41 41 GLN HA H 198 4.191 4.191 4.231 -0.040 18244 4276 1 10 . 1 1 41 41 GLN C C 198 181.500 181.500 178.824 2.676 18244 4277 1 10 . 1 1 41 41 GLN CA C 198 58.500 58.500 57.897 0.603 18244 4278 1 10 . 1 1 41 41 GLN CB C 198 30.400 30.400 29.086 1.314 18244 4279 1 10 . 1 1 41 41 GLN H H 198 7.594 7.594 7.673 -0.079 18244 4280 1 10 . 1 1 42 42 VAL N N 199 121.112 121.112 121.413 -0.301 18244 4281 1 10 . 1 1 42 42 VAL HA H 199 3.479 3.479 3.694 -0.215 18244 4282 1 10 . 1 1 42 42 VAL C C 199 180.000 180.000 177.873 2.127 18244 4283 1 10 . 1 1 42 42 VAL CA C 199 67.500 67.500 66.171 1.329 18244 4284 1 10 . 1 1 42 42 VAL CB C 199 32.000 32.000 31.527 0.473 18244 4285 1 10 . 1 1 42 42 VAL H H 199 8.116 8.116 8.422 -0.306 18244 4286 1 10 . 1 1 43 43 THR N N 200 113.870 113.870 113.381 0.489 18244 4287 1 10 . 1 1 43 43 THR HA H 200 3.904 3.904 4.118 -0.214 18244 4288 1 10 . 1 1 43 43 THR C C 200 178.900 178.900 175.850 3.050 18244 4289 1 10 . 1 1 43 43 THR CA C 200 67.000 67.000 65.509 1.491 18244 4290 1 10 . 1 1 43 43 THR CB C 200 68.500 68.500 68.444 0.057 18244 4291 1 10 . 1 1 43 43 THR H H 200 8.726 8.726 7.990 0.736 18244 4292 1 10 . 1 1 44 44 ALA N N 201 124.369 124.369 124.271 0.098 18244 4293 1 10 . 1 1 44 44 ALA HA H 201 4.280 4.280 4.135 0.145 18244 4294 1 10 . 1 1 44 44 ALA C C 201 182.700 182.700 179.202 3.498 18244 4295 1 10 . 1 1 44 44 ALA CA C 201 55.500 55.500 54.659 0.841 18244 4296 1 10 . 1 1 44 44 ALA CB C 201 17.900 17.900 18.229 -0.329 18244 4297 1 10 . 1 1 44 44 ALA H H 201 7.539 7.539 7.641 -0.102 18244 4298 1 10 . 1 1 45 45 LEU N N 202 117.896 117.896 118.926 -1.030 18244 4299 1 10 . 1 1 45 45 LEU HA H 202 4.068 4.068 4.016 0.052 18244 4300 1 10 . 1 1 45 45 LEU C C 202 182.200 182.200 178.453 3.747 18244 4301 1 10 . 1 1 45 45 LEU CA C 202 58.100 58.100 58.529 -0.429 18244 4302 1 10 . 1 1 45 45 LEU CB C 202 41.800 41.800 41.526 0.274 18244 4303 1 10 . 1 1 45 45 LEU H H 202 7.716 7.716 7.841 -0.125 18244 4304 1 10 . 1 1 46 46 ALA N N 203 121.746 121.746 120.053 1.693 18244 4305 1 10 . 1 1 46 46 ALA HA H 203 4.184 4.184 4.227 -0.043 18244 4306 1 10 . 1 1 46 46 ALA C C 203 184.300 184.300 180.482 3.818 18244 4307 1 10 . 1 1 46 46 ALA CA C 203 55.400 55.400 54.363 1.037 18244 4308 1 10 . 1 1 46 46 ALA CB C 203 18.100 18.100 18.613 -0.513 18244 4309 1 10 . 1 1 46 46 ALA H H 203 8.117 8.117 7.583 0.534 18244 4310 1 10 . 1 1 47 47 GLN N N 204 120.247 120.247 118.844 1.403 18244 4311 1 10 . 1 1 47 47 GLN HA H 204 4.088 4.088 4.082 0.006 18244 4312 1 10 . 1 1 47 47 GLN C C 204 180.100 180.100 178.147 1.953 18244 4313 1 10 . 1 1 47 47 GLN CA C 204 58.900 58.900 58.204 0.696 18244 4314 1 10 . 1 1 47 47 GLN CB C 204 28.500 28.500 28.924 -0.424 18244 4315 1 10 . 1 1 47 47 GLN H H 204 8.515 8.515 7.704 0.811 18244 4316 1 10 . 1 1 48 48 GLN N N 205 116.167 116.167 116.321 -0.154 18244 4317 1 10 . 1 1 48 48 GLN HA H 205 4.290 4.290 4.388 -0.098 18244 4318 1 10 . 1 1 48 48 GLN C C 205 176.700 176.700 174.729 1.971 18244 4319 1 10 . 1 1 48 48 GLN CA C 205 55.900 55.900 55.635 0.265 18244 4320 1 10 . 1 1 48 48 GLN CB C 205 30.000 30.000 28.733 1.267 18244 4321 1 10 . 1 1 48 48 GLN H H 205 7.534 7.534 7.898 -0.364 18244 4322 1 10 . 1 1 49 49 LYS N N 206 113.354 113.354 115.851 -2.497 18244 4323 1 10 . 1 1 49 49 LYS HA H 206 4.118 4.118 3.956 0.162 18244 4324 1 10 . 1 1 49 49 LYS C C 206 178.700 178.700 176.288 2.412 18244 4325 1 10 . 1 1 49 49 LYS CA C 206 57.500 57.500 57.661 -0.161 18244 4326 1 10 . 1 1 49 49 LYS CB C 206 28.300 28.300 29.829 -1.529 18244 4327 1 10 . 1 1 49 49 LYS H H 206 7.957 7.957 7.630 0.327 18244 4328 1 10 . 1 1 50 50 LEU N N 207 116.944 116.944 117.001 -0.057 18244 4329 1 10 . 1 1 50 50 LEU HA H 207 4.423 4.423 4.312 0.111 18244 4330 1 10 . 1 1 50 50 LEU C C 207 180.000 180.000 177.114 2.886 18244 4331 1 10 . 1 1 50 50 LEU CA C 207 55.300 55.300 55.945 -0.645 18244 4332 1 10 . 1 1 50 50 LEU CB C 207 42.500 42.500 42.913 -0.413 18244 4333 1 10 . 1 1 50 50 LEU H H 207 8.016 8.016 7.971 0.045 18244 4334 1 10 . 1 1 51 51 LEU N N 208 117.793 117.793 120.620 -2.827 18244 4335 1 10 . 1 1 51 51 LEU HA H 208 4.922 4.922 4.436 0.486 18244 4336 1 10 . 1 1 51 51 LEU C C 208 179.000 179.000 176.189 2.811 18244 4337 1 10 . 1 1 51 51 LEU CA C 208 53.400 53.400 54.072 -0.672 18244 4338 1 10 . 1 1 51 51 LEU CB C 208 44.500 44.500 43.038 1.462 18244 4339 1 10 . 1 1 51 51 LEU H H 208 7.109 7.109 7.628 -0.519 18244 4340 1 10 . 1 1 52 52 THR N N 209 115.695 115.695 118.511 -2.816 18244 4341 1 10 . 1 1 52 52 THR HA H 209 4.623 4.623 4.737 -0.114 18244 4342 1 10 . 1 1 52 52 THR CA C 209 60.700 60.700 59.235 1.465 18244 4343 1 10 . 1 1 52 52 THR CB C 209 69.000 69.000 69.226 -0.226 18244 4344 1 10 . 1 1 52 52 THR H H 209 9.460 9.460 8.255 1.205 18244 4345 1 10 . 1 1 53 53 PRO HA H 210 4.275 4.275 4.208 0.067 18244 4346 1 10 . 1 1 53 53 PRO C C 210 181.700 181.700 178.186 3.514 18244 4347 1 10 . 1 1 53 53 PRO CA C 210 66.000 66.000 65.166 0.834 18244 4348 1 10 . 1 1 53 53 PRO CB C 210 31.600 31.600 31.673 -0.073 18244 4349 1 10 . 1 1 54 54 GLN N N 211 116.837 116.837 116.778 0.059 18244 4350 1 10 . 1 1 54 54 GLN HA H 211 4.119 4.119 4.168 -0.049 18244 4351 1 10 . 1 1 54 54 GLN C C 211 181.500 181.500 178.618 2.882 18244 4352 1 10 . 1 1 54 54 GLN CA C 211 59.800 59.800 58.486 1.314 18244 4353 1 10 . 1 1 54 54 GLN CB C 211 28.100 28.100 28.230 -0.130 18244 4354 1 10 . 1 1 54 54 GLN H H 211 8.229 8.229 7.672 0.557 18244 4355 1 10 . 1 1 55 55 ASP N N 212 123.621 123.621 121.324 2.297 18244 4356 1 10 . 1 1 55 55 ASP HA H 212 4.353 4.353 4.494 -0.141 18244 4357 1 10 . 1 1 55 55 ASP C C 212 181.100 181.100 178.051 3.049 18244 4358 1 10 . 1 1 55 55 ASP CA C 212 57.900 57.900 56.693 1.207 18244 4359 1 10 . 1 1 55 55 ASP CB C 212 41.700 41.700 40.564 1.136 18244 4360 1 10 . 1 1 55 55 ASP H H 212 7.957 7.957 7.967 -0.010 18244 4361 1 10 . 1 1 56 56 MET N N 213 117.263 117.263 118.618 -1.355 18244 4362 1 10 . 1 1 56 56 MET HA H 213 4.380 4.380 4.208 0.172 18244 4363 1 10 . 1 1 56 56 MET C C 213 181.000 181.000 178.459 2.541 18244 4364 1 10 . 1 1 56 56 MET CA C 213 57.100 57.100 58.318 -1.218 18244 4365 1 10 . 1 1 56 56 MET CB C 213 31.200 31.200 32.161 -0.961 18244 4366 1 10 . 1 1 56 56 MET H H 213 8.314 8.314 7.722 0.592 18244 4367 1 10 . 1 1 57 57 GLU N N 214 120.570 120.570 117.638 2.932 18244 4368 1 10 . 1 1 57 57 GLU HA H 214 4.085 4.085 4.257 -0.172 18244 4369 1 10 . 1 1 57 57 GLU C C 214 181.700 181.700 177.477 4.223 18244 4370 1 10 . 1 1 57 57 GLU CA C 214 59.500 59.500 58.105 1.395 18244 4371 1 10 . 1 1 57 57 GLU CB C 214 29.300 29.300 29.015 0.285 18244 4372 1 10 . 1 1 57 57 GLU H H 214 8.039 8.039 7.875 0.164 18244 4373 1 10 . 1 1 58 58 ALA N N 215 121.915 121.915 121.490 0.425 18244 4374 1 10 . 1 1 58 58 ALA HA H 215 4.361 4.361 4.312 0.049 18244 4375 1 10 . 1 1 58 58 ALA C C 215 182.800 182.800 179.753 3.047 18244 4376 1 10 . 1 1 58 58 ALA CA C 215 55.100 55.100 54.445 0.655 18244 4377 1 10 . 1 1 58 58 ALA CB C 215 18.500 18.500 18.593 -0.093 18244 4378 1 10 . 1 1 58 58 ALA H H 215 7.571 7.571 7.614 -0.043 18244 4379 1 10 . 1 1 59 59 ALA N N 216 120.749 120.749 120.723 0.026 18244 4380 1 10 . 1 1 59 59 ALA HA H 216 4.137 4.137 4.106 0.031 18244 4381 1 10 . 1 1 59 59 ALA C C 216 180.800 180.800 178.741 2.059 18244 4382 1 10 . 1 1 59 59 ALA CA C 216 55.700 55.700 54.606 1.094 18244 4383 1 10 . 1 1 59 59 ALA CB C 216 18.100 18.100 18.454 -0.354 18244 4384 1 10 . 1 1 59 59 ALA H H 216 8.728 8.728 8.071 0.657 18244 4385 1 10 . 1 1 60 60 LYS N N 217 117.415 117.415 117.249 0.166 18244 4386 1 10 . 1 1 60 60 LYS HA H 217 3.700 3.700 4.029 -0.329 18244 4387 1 10 . 1 1 60 60 LYS C C 217 181.300 181.300 178.811 2.489 18244 4388 1 10 . 1 1 60 60 LYS CA C 217 60.200 60.200 59.233 0.967 18244 4389 1 10 . 1 1 60 60 LYS CB C 217 32.600 32.600 32.040 0.560 18244 4390 1 10 . 1 1 60 60 LYS H H 217 8.292 8.292 7.724 0.568 18244 4391 1 10 . 1 1 61 61 GLN N N 218 118.499 118.499 119.300 -0.801 18244 4392 1 10 . 1 1 61 61 GLN HA H 218 4.171 4.171 4.242 -0.071 18244 4393 1 10 . 1 1 61 61 GLN C C 218 181.500 181.500 178.245 3.255 18244 4394 1 10 . 1 1 61 61 GLN CA C 218 59.200 59.200 58.315 0.886 18244 4395 1 10 . 1 1 61 61 GLN CB C 218 29.400 29.400 28.447 0.953 18244 4396 1 10 . 1 1 61 61 GLN H H 218 7.401 7.401 7.622 -0.221 18244 4397 1 10 . 1 1 62 62 VAL N N 219 119.685 119.685 120.770 -1.085 18244 4398 1 10 . 1 1 62 62 VAL HA H 219 3.746 3.746 3.759 -0.013 18244 4399 1 10 . 1 1 62 62 VAL C C 219 179.400 179.400 178.022 1.378 18244 4400 1 10 . 1 1 62 62 VAL CA C 219 66.800 66.800 66.708 0.092 18244 4401 1 10 . 1 1 62 62 VAL CB C 219 31.900 31.900 31.302 0.598 18244 4402 1 10 . 1 1 62 62 VAL H H 219 8.036 8.036 7.698 0.338 18244 4403 1 10 . 1 1 63 63 TYR N N 220 123.794 123.794 119.098 4.696 18244 4404 1 10 . 1 1 63 63 TYR HA H 220 3.725 3.725 4.417 -0.692 18244 4405 1 10 . 1 1 63 63 TYR C C 220 179.300 179.300 177.625 1.675 18244 4406 1 10 . 1 1 63 63 TYR CA C 220 62.200 62.200 61.161 1.039 18244 4407 1 10 . 1 1 63 63 TYR CB C 220 38.000 38.000 38.292 -0.292 18244 4408 1 10 . 1 1 63 63 TYR H H 220 8.802 8.802 8.046 0.756 18244 4409 1 10 . 1 1 64 64 LYS N N 221 117.772 117.772 118.865 -1.093 18244 4410 1 10 . 1 1 64 64 LYS HA H 221 3.864 3.864 4.091 -0.227 18244 4411 1 10 . 1 1 64 64 LYS C C 221 181.700 181.700 178.892 2.808 18244 4412 1 10 . 1 1 64 64 LYS CA C 221 59.800 59.800 58.410 1.390 18244 4413 1 10 . 1 1 64 64 LYS CB C 221 32.200 32.200 32.473 -0.273 18244 4414 1 10 . 1 1 64 64 LYS H H 221 7.452 7.452 7.702 -0.250 18244 4415 1 10 . 1 1 65 65 ILE N N 222 119.985 119.985 119.739 0.246 18244 4416 1 10 . 1 1 65 65 ILE HA H 222 3.757 3.757 3.693 0.064 18244 4417 1 10 . 1 1 65 65 ILE C C 222 180.700 180.700 177.878 2.822 18244 4418 1 10 . 1 1 65 65 ILE CA C 222 65.000 65.000 65.050 -0.050 18244 4419 1 10 . 1 1 65 65 ILE CB C 222 38.200 38.200 37.628 0.572 18244 4420 1 10 . 1 1 65 65 ILE H H 222 7.673 7.673 7.767 -0.094 18244 4421 1 10 . 1 1 66 66 HIS N N 223 121.506 121.506 119.635 1.871 18244 4422 1 10 . 1 1 66 66 HIS HA H 223 4.343 4.343 4.132 0.211 18244 4423 1 10 . 1 1 66 66 HIS C C 223 179.400 179.400 177.581 1.819 18244 4424 1 10 . 1 1 66 66 HIS CA C 223 57.500 57.500 59.931 -2.430 18244 4425 1 10 . 1 1 66 66 HIS CB C 223 32.800 32.800 30.159 2.641 18244 4426 1 10 . 1 1 66 66 HIS H H 223 8.943 8.943 8.652 0.291 18244 4427 1 10 . 1 1 67 67 GLN N N 224 117.421 117.421 117.803 -0.382 18244 4428 1 10 . 1 1 67 67 GLN HA H 224 3.720 3.720 3.901 -0.181 18244 4429 1 10 . 1 1 67 67 GLN C C 224 180.200 180.200 178.383 1.817 18244 4430 1 10 . 1 1 67 67 GLN CA C 224 59.800 59.800 59.205 0.595 18244 4431 1 10 . 1 1 67 67 GLN CB C 224 29.500 29.500 28.402 1.098 18244 4432 1 10 . 1 1 67 67 GLN H H 224 8.526 8.526 7.992 0.534 18244 4433 1 10 . 1 1 68 68 GLN N N 225 117.385 117.385 119.531 -2.146 18244 4434 1 10 . 1 1 68 68 GLN HA H 225 4.017 4.017 4.083 -0.066 18244 4435 1 10 . 1 1 68 68 GLN C C 225 181.100 181.100 178.700 2.400 18244 4436 1 10 . 1 1 68 68 GLN CA C 225 59.200 59.200 58.705 0.496 18244 4437 1 10 . 1 1 68 68 GLN CB C 225 28.400 28.400 28.728 -0.328 18244 4438 1 10 . 1 1 68 68 GLN H H 225 7.673 7.673 7.461 0.212 18244 4439 1 10 . 1 1 69 69 LEU N N 226 120.608 120.608 121.702 -1.094 18244 4440 1 10 . 1 1 69 69 LEU HA H 226 4.126 4.126 4.195 -0.069 18244 4441 1 10 . 1 1 69 69 LEU C C 226 182.700 182.700 178.608 4.092 18244 4442 1 10 . 1 1 69 69 LEU CA C 226 58.200 58.200 57.598 0.602 18244 4443 1 10 . 1 1 69 69 LEU CB C 226 42.000 42.000 42.091 -0.091 18244 4444 1 10 . 1 1 69 69 LEU H H 226 8.227 8.227 7.749 0.478 18244 4445 1 10 . 1 1 70 70 LEU N N 227 120.607 120.607 120.014 0.593 18244 4446 1 10 . 1 1 70 70 LEU HA H 227 4.108 4.108 3.882 0.226 18244 4447 1 10 . 1 1 70 70 LEU C C 227 181.900 181.900 179.064 2.836 18244 4448 1 10 . 1 1 70 70 LEU CA C 227 57.700 57.700 58.137 -0.437 18244 4449 1 10 . 1 1 70 70 LEU CB C 227 41.900 41.900 41.524 0.376 18244 4450 1 10 . 1 1 70 70 LEU H H 227 8.273 8.273 8.475 -0.202 18244 4451 1 10 . 1 1 71 71 PHE N N 228 119.975 119.975 118.306 1.669 18244 4452 1 10 . 1 1 71 71 PHE HA H 228 4.315 4.315 4.056 0.259 18244 4453 1 10 . 1 1 71 71 PHE C C 228 180.100 180.100 177.276 2.824 18244 4454 1 10 . 1 1 71 71 PHE CA C 228 60.200 60.200 61.690 -1.490 18244 4455 1 10 . 1 1 71 71 PHE CB C 228 39.000 39.000 39.067 -0.067 18244 4456 1 10 . 1 1 71 71 PHE H H 228 8.469 8.469 8.210 0.259 18244 4457 1 10 . 1 1 72 72 LYS N N 229 119.148 119.148 118.388 0.760 18244 4458 1 10 . 1 1 72 72 LYS HA H 229 4.012 4.012 4.054 -0.042 18244 4459 1 10 . 1 1 72 72 LYS C C 229 180.400 180.400 178.711 1.689 18244 4460 1 10 . 1 1 72 72 LYS CA C 229 58.800 58.800 58.687 0.113 18244 4461 1 10 . 1 1 72 72 LYS CB C 229 32.300 32.300 31.776 0.524 18244 4462 1 10 . 1 1 72 72 LYS H H 229 8.143 8.143 7.711 0.432 18244 4463 1 10 . 1 1 73 73 ALA N N 230 121.483 121.483 121.486 -0.003 18244 4464 1 10 . 1 1 73 73 ALA HA H 230 4.224 4.224 4.419 -0.195 18244 4465 1 10 . 1 1 73 73 ALA C C 230 181.600 181.600 178.887 2.713 18244 4466 1 10 . 1 1 73 73 ALA CA C 230 54.200 54.200 54.258 -0.058 18244 4467 1 10 . 1 1 73 73 ALA CB C 230 18.500 18.500 18.516 -0.016 18244 4468 1 10 . 1 1 73 73 ALA H H 230 7.886 7.886 7.580 0.306 18244 4469 1 10 . 1 1 74 74 ARG N N 231 118.073 118.073 117.434 0.639 18244 4470 1 10 . 1 1 74 74 ARG HA H 231 4.189 4.189 4.124 0.065 18244 4471 1 10 . 1 1 74 74 ARG C C 231 179.900 179.900 177.665 2.235 18244 4472 1 10 . 1 1 74 74 ARG CA C 231 57.600 57.600 57.253 0.347 18244 4473 1 10 . 1 1 74 74 ARG CB C 231 30.100 30.100 29.912 0.188 18244 4474 1 10 . 1 1 74 74 ARG H H 231 7.849 7.849 8.062 -0.213 18244 4475 1 10 . 1 1 75 75 LEU N N 232 120.575 120.575 118.158 2.417 18244 4476 1 10 . 1 1 75 75 LEU HA H 232 4.181 4.181 4.226 -0.045 18244 4477 1 10 . 1 1 75 75 LEU C C 232 180.600 180.600 177.259 3.341 18244 4478 1 10 . 1 1 75 75 LEU CA C 232 56.400 56.400 56.207 0.193 18244 4479 1 10 . 1 1 75 75 LEU CB C 232 42.000 42.000 43.167 -1.167 18244 4480 1 10 . 1 1 75 75 LEU H H 232 7.847 7.847 7.115 0.732 18244 4481 1 10 . 1 1 76 76 GLN N N 233 118.890 118.890 116.688 2.202 18244 4482 1 10 . 1 1 76 76 GLN HA H 233 4.220 4.220 4.563 -0.343 18244 4483 1 10 . 1 1 76 76 GLN C C 233 179.100 179.100 175.752 3.348 18244 4484 1 10 . 1 1 76 76 GLN CA C 233 56.900 56.900 55.046 1.854 18244 4485 1 10 . 1 1 76 76 GLN CB C 233 29.000 29.000 30.593 -1.593 18244 4486 1 10 . 1 1 76 76 GLN H H 233 8.008 8.008 8.158 -0.150 18244 4487 1 10 . 1 1 77 77 GLN N N 234 119.836 119.836 123.468 -3.632 18244 4488 1 10 . 1 1 77 77 GLN HA H 234 4.263 4.263 4.213 0.050 18244 4489 1 10 . 1 1 77 77 GLN C C 234 178.700 178.700 176.130 2.570 18244 4490 1 10 . 1 1 77 77 GLN CA C 234 56.700 56.700 58.201 -1.501 18244 4491 1 10 . 1 1 77 77 GLN CB C 234 29.100 29.100 29.429 -0.329 18244 4492 1 10 . 1 1 77 77 GLN H H 234 8.078 8.078 8.820 -0.742 18244 4493 1 10 . 1 1 78 78 GLN N N 235 120.341 120.341 116.758 3.583 18244 4494 1 10 . 1 1 78 78 GLN HA H 235 4.288 4.288 4.410 -0.122 18244 4495 1 10 . 1 1 78 78 GLN C C 235 178.400 178.400 174.751 3.649 18244 4496 1 10 . 1 1 78 78 GLN CA C 235 56.400 56.400 54.847 1.553 18244 4497 1 10 . 1 1 78 78 GLN CB C 235 29.300 29.300 29.172 0.128 18244 4498 1 10 . 1 1 78 78 GLN H H 235 8.226 8.226 7.925 0.301 18244 4499 1 10 . 1 1 79 79 GLN N N 236 120.708 120.708 116.822 3.886 18244 4500 1 10 . 1 1 79 79 GLN HA H 236 4.316 4.316 4.187 0.129 18244 4501 1 10 . 1 1 79 79 GLN C C 236 177.800 177.800 174.759 3.041 18244 4502 1 10 . 1 1 79 79 GLN CA C 236 55.900 55.900 56.835 -0.935 18244 4503 1 10 . 1 1 79 79 GLN CB C 236 29.500 29.500 26.973 2.527 18244 4504 1 10 . 1 1 79 79 GLN H H 236 8.253 8.253 7.940 0.313 18244 4505 1 10 . 1 1 80 80 ALA N N 237 125.698 125.698 126.690 -0.992 18244 4506 1 10 . 1 1 80 80 ALA HA H 237 4.336 4.336 4.284 0.052 18244 4507 1 10 . 1 1 80 80 ALA C C 237 179.000 179.000 176.912 2.088 18244 4508 1 10 . 1 1 80 80 ALA CA C 237 52.800 52.800 52.617 0.183 18244 4509 1 10 . 1 1 80 80 ALA CB C 237 19.300 19.300 19.137 0.162 18244 4510 1 10 . 1 1 80 80 ALA H H 237 8.237 8.237 8.447 -0.210 18244 4511 1 11 . 1 1 2 2 ARG HA H 159 4.353 4.353 4.562 -0.209 18244 4512 1 11 . 1 1 2 2 ARG C C 159 178.200 178.200 175.033 3.167 18244 4513 1 11 . 1 1 2 2 ARG CA C 159 56.300 56.300 56.328 -0.028 18244 4514 1 11 . 1 1 2 2 ARG CB C 159 30.900 30.900 30.080 0.820 18244 4515 1 11 . 1 1 3 3 ARG N N 160 123.623 123.623 123.103 0.520 18244 4516 1 11 . 1 1 3 3 ARG HA H 160 4.306 4.306 4.556 -0.250 18244 4517 1 11 . 1 1 3 3 ARG C C 160 178.000 178.000 175.880 2.120 18244 4518 1 11 . 1 1 3 3 ARG CA C 160 56.100 56.100 55.983 0.117 18244 4519 1 11 . 1 1 3 3 ARG CB C 160 31.000 31.000 31.288 -0.288 18244 4520 1 11 . 1 1 3 3 ARG H H 160 8.558 8.558 8.349 0.209 18244 4521 1 11 . 1 1 4 4 GLN N N 161 122.962 122.962 123.644 -0.682 18244 4522 1 11 . 1 1 4 4 GLN HA H 161 4.355 4.355 4.456 -0.101 18244 4523 1 11 . 1 1 4 4 GLN C C 161 177.900 177.900 175.423 2.477 18244 4524 1 11 . 1 1 4 4 GLN CA C 161 55.500 55.500 55.059 0.441 18244 4525 1 11 . 1 1 4 4 GLN CB C 161 29.600 29.600 30.152 -0.552 18244 4526 1 11 . 1 1 4 4 GLN H H 161 8.515 8.515 8.479 0.036 18244 4527 1 11 . 1 1 5 5 LEU N N 162 124.755 124.755 119.358 5.397 18244 4528 1 11 . 1 1 5 5 LEU HA H 162 4.577 4.577 4.057 0.520 18244 4529 1 11 . 1 1 5 5 LEU C C 162 180.500 180.500 175.923 4.577 18244 4530 1 11 . 1 1 5 5 LEU CA C 162 54.700 54.700 54.939 -0.239 18244 4531 1 11 . 1 1 5 5 LEU CB C 162 42.900 42.900 41.573 1.327 18244 4532 1 11 . 1 1 5 5 LEU H H 162 8.480 8.480 8.588 -0.108 18244 4533 1 11 . 1 1 6 6 THR N N 163 114.727 114.727 115.555 -0.828 18244 4534 1 11 . 1 1 6 6 THR HA H 163 4.596 4.596 4.669 -0.073 18244 4535 1 11 . 1 1 6 6 THR CA C 163 60.200 60.200 60.554 -0.354 18244 4536 1 11 . 1 1 6 6 THR CB C 163 68.200 68.200 69.804 -1.604 18244 4537 1 11 . 1 1 6 6 THR H H 163 8.623 8.623 8.333 0.290 18244 4538 1 11 . 1 1 7 7 PRO HA H 164 4.263 4.263 4.310 -0.047 18244 4539 1 11 . 1 1 7 7 PRO C C 164 181.600 181.600 178.979 2.621 18244 4540 1 11 . 1 1 7 7 PRO CA C 164 65.900 65.900 65.309 0.591 18244 4541 1 11 . 1 1 7 7 PRO CB C 164 31.600 31.600 32.112 -0.512 18244 4542 1 11 . 1 1 8 8 GLN N N 165 116.429 116.429 117.891 -1.462 18244 4543 1 11 . 1 1 8 8 GLN HA H 165 4.063 4.063 4.118 -0.055 18244 4544 1 11 . 1 1 8 8 GLN C C 165 181.300 181.300 178.241 3.059 18244 4545 1 11 . 1 1 8 8 GLN CA C 165 59.500 59.500 58.991 0.509 18244 4546 1 11 . 1 1 8 8 GLN CB C 165 28.300 28.300 28.395 -0.095 18244 4547 1 11 . 1 1 8 8 GLN H H 165 8.439 8.439 8.392 0.047 18244 4548 1 11 . 1 1 9 9 GLN N N 166 120.164 120.164 119.361 0.803 18244 4549 1 11 . 1 1 9 9 GLN HA H 166 3.948 3.948 4.030 -0.082 18244 4550 1 11 . 1 1 9 9 GLN C C 166 180.600 180.600 178.681 1.919 18244 4551 1 11 . 1 1 9 9 GLN CA C 166 58.700 58.700 58.851 -0.151 18244 4552 1 11 . 1 1 9 9 GLN CB C 166 29.300 29.300 28.855 0.445 18244 4553 1 11 . 1 1 9 9 GLN H H 166 7.760 7.760 7.838 -0.078 18244 4554 1 11 . 1 1 10 10 GLN N N 167 119.164 119.164 118.870 0.294 18244 4555 1 11 . 1 1 10 10 GLN HA H 167 3.860 3.860 3.998 -0.138 18244 4556 1 11 . 1 1 10 10 GLN C C 167 180.300 180.300 178.586 1.714 18244 4557 1 11 . 1 1 10 10 GLN CA C 167 58.600 58.600 58.987 -0.388 18244 4558 1 11 . 1 1 10 10 GLN CB C 167 29.000 29.000 28.387 0.612 18244 4559 1 11 . 1 1 10 10 GLN H H 167 8.787 8.787 8.291 0.496 18244 4560 1 11 . 1 1 11 11 GLN N N 168 118.139 118.139 118.245 -0.106 18244 4561 1 11 . 1 1 11 11 GLN HA H 168 4.111 4.111 4.096 0.015 18244 4562 1 11 . 1 1 11 11 GLN C C 168 180.600 180.600 178.682 1.918 18244 4563 1 11 . 1 1 11 11 GLN CA C 168 58.900 58.900 58.929 -0.029 18244 4564 1 11 . 1 1 11 11 GLN CB C 168 28.500 28.500 28.385 0.115 18244 4565 1 11 . 1 1 11 11 GLN H H 168 7.987 7.987 7.840 0.147 18244 4566 1 11 . 1 1 12 12 LEU N N 169 120.649 120.649 116.660 3.989 18244 4567 1 11 . 1 1 12 12 LEU HA H 169 4.138 4.138 4.372 -0.234 18244 4568 1 11 . 1 1 12 12 LEU C C 169 181.300 181.300 178.738 2.562 18244 4569 1 11 . 1 1 12 12 LEU CA C 169 58.100 58.100 57.774 0.326 18244 4570 1 11 . 1 1 12 12 LEU CB C 169 41.600 41.600 41.661 -0.062 18244 4571 1 11 . 1 1 12 12 LEU H H 169 7.457 7.457 7.453 0.004 18244 4572 1 11 . 1 1 13 13 VAL N N 170 119.772 119.772 119.580 0.192 18244 4573 1 11 . 1 1 13 13 VAL HA H 170 3.570 3.570 3.650 -0.080 18244 4574 1 11 . 1 1 13 13 VAL C C 170 180.700 180.700 178.870 1.830 18244 4575 1 11 . 1 1 13 13 VAL CA C 170 66.700 66.700 66.163 0.537 18244 4576 1 11 . 1 1 13 13 VAL CB C 170 31.700 31.700 31.070 0.630 18244 4577 1 11 . 1 1 13 13 VAL H H 170 8.101 8.101 8.107 -0.006 18244 4578 1 11 . 1 1 14 14 ASN N N 171 118.278 118.278 118.510 -0.232 18244 4579 1 11 . 1 1 14 14 ASN HA H 171 4.454 4.454 4.497 -0.043 18244 4580 1 11 . 1 1 14 14 ASN C C 171 180.800 180.800 177.823 2.977 18244 4581 1 11 . 1 1 14 14 ASN CA C 171 56.000 56.000 56.022 -0.022 18244 4582 1 11 . 1 1 14 14 ASN CB C 171 37.600 37.600 38.532 -0.933 18244 4583 1 11 . 1 1 14 14 ASN H H 171 8.253 8.253 8.429 -0.176 18244 4584 1 11 . 1 1 15 15 GLN N N 172 120.079 120.079 117.591 2.488 18244 4585 1 11 . 1 1 15 15 GLN HA H 172 4.152 4.152 4.221 -0.069 18244 4586 1 11 . 1 1 15 15 GLN C C 172 181.100 181.100 176.684 4.416 18244 4587 1 11 . 1 1 15 15 GLN CA C 172 58.600 58.600 57.549 1.051 18244 4588 1 11 . 1 1 15 15 GLN CB C 172 28.800 28.800 28.082 0.718 18244 4589 1 11 . 1 1 15 15 GLN H H 172 8.112 8.112 7.845 0.267 18244 4590 1 11 . 1 1 16 16 MET N N 173 118.323 118.323 116.175 2.148 18244 4591 1 11 . 1 1 16 16 MET HA H 173 4.266 4.266 4.507 -0.241 18244 4592 1 11 . 1 1 16 16 MET C C 173 180.300 180.300 176.654 3.646 18244 4593 1 11 . 1 1 16 16 MET CA C 173 57.300 57.300 54.642 2.658 18244 4594 1 11 . 1 1 16 16 MET CB C 173 31.400 31.400 32.168 -0.768 18244 4595 1 11 . 1 1 16 16 MET H H 173 8.371 8.371 7.632 0.739 18244 4596 1 11 . 1 1 17 17 LYS N N 174 117.179 117.179 119.451 -2.272 18244 4597 1 11 . 1 1 17 17 LYS HA H 174 4.450 4.450 4.419 0.031 18244 4598 1 11 . 1 1 17 17 LYS C C 174 178.400 178.400 177.344 1.056 18244 4599 1 11 . 1 1 17 17 LYS CA C 174 55.800 55.800 57.430 -1.630 18244 4600 1 11 . 1 1 17 17 LYS CB C 174 33.600 33.600 34.304 -0.704 18244 4601 1 11 . 1 1 17 17 LYS H H 174 7.798 7.798 7.616 0.182 18244 4602 1 11 . 1 1 18 18 VAL N N 175 135.773 135.773 116.809 18.964 18244 4603 1 11 . 1 1 18 18 VAL HA H 175 4.674 4.674 4.343 0.331 18244 4604 1 11 . 1 1 18 18 VAL C C 175 177.700 177.700 174.204 3.496 18244 4605 1 11 . 1 1 18 18 VAL CA C 175 60.100 60.100 61.554 -1.454 18244 4606 1 11 . 1 1 18 18 VAL CB C 175 33.200 33.200 30.415 2.785 18244 4607 1 11 . 1 1 18 18 VAL H H 175 6.894 6.894 8.072 -1.178 18244 4608 1 11 . 1 1 19 19 ALA N N 176 127.267 127.267 129.967 -2.700 18244 4609 1 11 . 1 1 19 19 ALA HA H 176 4.653 4.653 5.049 -0.396 18244 4610 1 11 . 1 1 19 19 ALA CA C 176 50.200 50.200 49.394 0.806 18244 4611 1 11 . 1 1 19 19 ALA CB C 176 18.800 18.800 20.949 -2.149 18244 4612 1 11 . 1 1 19 19 ALA H H 176 7.508 7.508 8.018 -0.510 18244 4613 1 11 . 1 1 20 20 PRO HA H 177 4.439 4.439 5.246 -0.807 18244 4614 1 11 . 1 1 20 20 PRO C C 177 179.700 179.700 175.853 3.847 18244 4615 1 11 . 1 1 20 20 PRO CA C 177 62.900 62.900 61.703 1.197 18244 4616 1 11 . 1 1 20 20 PRO CB C 177 31.400 31.400 32.541 -1.141 18244 4617 1 11 . 1 1 21 21 ILE N N 178 128.957 128.957 122.093 6.864 18244 4618 1 11 . 1 1 21 21 ILE HA H 178 3.571 3.571 3.841 -0.270 18244 4619 1 11 . 1 1 21 21 ILE CA C 178 59.700 59.700 59.039 0.661 18244 4620 1 11 . 1 1 21 21 ILE CB C 178 39.300 39.300 37.369 1.931 18244 4621 1 11 . 1 1 21 21 ILE H H 178 8.659 8.659 8.062 0.597 18244 4622 1 11 . 1 1 22 22 PRO HA H 179 4.298 4.298 4.474 -0.176 18244 4623 1 11 . 1 1 22 22 PRO C C 179 180.600 180.600 177.308 3.292 18244 4624 1 11 . 1 1 22 22 PRO CA C 179 62.900 62.900 61.931 0.969 18244 4625 1 11 . 1 1 22 22 PRO CB C 179 32.600 32.600 32.566 0.034 18244 4626 1 11 . 1 1 23 23 LYS N N 180 126.052 126.052 121.405 4.647 18244 4627 1 11 . 1 1 23 23 LYS HA H 180 3.848 3.848 3.846 0.002 18244 4628 1 11 . 1 1 23 23 LYS C C 180 180.300 180.300 178.903 1.397 18244 4629 1 11 . 1 1 23 23 LYS CA C 180 60.200 60.200 60.697 -0.497 18244 4630 1 11 . 1 1 23 23 LYS CB C 180 32.400 32.400 32.106 0.294 18244 4631 1 11 . 1 1 23 23 LYS H H 180 8.871 8.871 8.580 0.291 18244 4632 1 11 . 1 1 24 24 GLN N N 181 115.658 115.658 116.378 -0.720 18244 4633 1 11 . 1 1 24 24 GLN HA H 181 4.102 4.102 4.032 0.070 18244 4634 1 11 . 1 1 24 24 GLN C C 181 179.000 179.000 177.856 1.144 18244 4635 1 11 . 1 1 24 24 GLN CA C 181 58.600 58.600 58.925 -0.325 18244 4636 1 11 . 1 1 24 24 GLN CB C 181 27.400 27.400 28.575 -1.175 18244 4637 1 11 . 1 1 24 24 GLN H H 181 9.038 9.038 8.409 0.629 18244 4638 1 11 . 1 1 25 25 LEU N N 182 117.088 117.088 117.757 -0.669 18244 4639 1 11 . 1 1 25 25 LEU HA H 182 4.231 4.231 4.238 -0.007 18244 4640 1 11 . 1 1 25 25 LEU C C 182 180.300 180.300 179.414 0.886 18244 4641 1 11 . 1 1 25 25 LEU CA C 182 56.600 56.600 55.918 0.682 18244 4642 1 11 . 1 1 25 25 LEU CB C 182 40.900 40.900 42.215 -1.315 18244 4643 1 11 . 1 1 25 25 LEU H H 182 7.309 7.309 7.510 -0.201 18244 4644 1 11 . 1 1 26 26 LEU N N 183 120.917 120.917 121.157 -0.240 18244 4645 1 11 . 1 1 26 26 LEU HA H 183 3.699 3.699 3.901 -0.202 18244 4646 1 11 . 1 1 26 26 LEU C C 183 181.300 181.300 179.007 2.293 18244 4647 1 11 . 1 1 26 26 LEU CA C 183 57.900 57.900 57.713 0.187 18244 4648 1 11 . 1 1 26 26 LEU CB C 183 42.400 42.400 41.516 0.884 18244 4649 1 11 . 1 1 26 26 LEU H H 183 7.842 7.842 8.129 -0.287 18244 4650 1 11 . 1 1 27 27 GLN N N 184 112.112 112.112 116.426 -4.314 18244 4651 1 11 . 1 1 27 27 GLN HA H 184 4.082 4.082 4.154 -0.072 18244 4652 1 11 . 1 1 27 27 GLN C C 184 178.800 178.800 177.291 1.509 18244 4653 1 11 . 1 1 27 27 GLN CA C 184 57.300 57.300 57.532 -0.232 18244 4654 1 11 . 1 1 27 27 GLN CB C 184 28.500 28.500 28.382 0.118 18244 4655 1 11 . 1 1 27 27 GLN H H 184 7.505 7.505 7.772 -0.267 18244 4656 1 11 . 1 1 28 28 ARG N N 185 116.659 116.659 118.572 -1.913 18244 4657 1 11 . 1 1 28 28 ARG HA H 185 4.187 4.187 4.256 -0.069 18244 4658 1 11 . 1 1 28 28 ARG C C 185 177.900 177.900 176.348 1.552 18244 4659 1 11 . 1 1 28 28 ARG CA C 185 56.600 56.600 56.922 -0.322 18244 4660 1 11 . 1 1 28 28 ARG CB C 185 30.700 30.700 31.143 -0.443 18244 4661 1 11 . 1 1 28 28 ARG H H 185 7.488 7.488 7.562 -0.074 18244 4662 1 11 . 1 1 29 29 ILE N N 186 121.078 121.078 121.927 -0.849 18244 4663 1 11 . 1 1 29 29 ILE HA H 186 4.352 4.352 4.476 -0.124 18244 4664 1 11 . 1 1 29 29 ILE CA C 186 59.300 59.300 58.518 0.782 18244 4665 1 11 . 1 1 29 29 ILE CB C 186 37.800 37.800 37.899 -0.099 18244 4666 1 11 . 1 1 29 29 ILE H H 186 7.630 7.630 7.352 0.278 18244 4667 1 11 . 1 1 30 30 PRO HA H 187 4.256 4.256 4.603 -0.347 18244 4668 1 11 . 1 1 30 30 PRO C C 187 178.500 178.500 176.480 2.020 18244 4669 1 11 . 1 1 30 30 PRO CA C 187 64.100 64.100 62.048 2.052 18244 4670 1 11 . 1 1 30 30 PRO CB C 187 32.400 32.400 32.656 -0.256 18244 4671 1 11 . 1 1 31 31 ASN N N 188 110.335 110.335 116.452 -6.117 18244 4672 1 11 . 1 1 31 31 ASN HA H 188 4.398 4.398 4.540 -0.142 18244 4673 1 11 . 1 1 31 31 ASN C C 188 177.500 177.500 174.104 3.396 18244 4674 1 11 . 1 1 31 31 ASN CA C 188 54.400 54.400 54.506 -0.106 18244 4675 1 11 . 1 1 31 31 ASN CB C 188 37.700 37.700 38.465 -0.765 18244 4676 1 11 . 1 1 31 31 ASN H H 188 8.464 8.464 8.680 -0.216 18244 4677 1 11 . 1 1 32 32 ILE N N 189 117.608 117.608 120.040 -2.432 18244 4678 1 11 . 1 1 32 32 ILE HA H 189 4.416 4.416 4.432 -0.016 18244 4679 1 11 . 1 1 32 32 ILE CA C 189 58.100 58.100 58.629 -0.529 18244 4680 1 11 . 1 1 32 32 ILE CB C 189 38.600 38.600 40.529 -1.929 18244 4681 1 11 . 1 1 32 32 ILE H H 189 7.325 7.325 7.497 -0.172 18244 4682 1 11 . 1 1 33 33 PRO HA H 190 4.749 4.749 4.945 -0.196 18244 4683 1 11 . 1 1 33 33 PRO CA C 190 61.700 61.700 60.823 0.877 18244 4684 1 11 . 1 1 33 33 PRO CB C 190 31.000 31.000 31.482 -0.482 18244 4685 1 11 . 1 1 34 34 PRO HA H 191 4.391 4.391 4.171 0.220 18244 4686 1 11 . 1 1 34 34 PRO C C 191 178.600 178.600 176.904 1.696 18244 4687 1 11 . 1 1 34 34 PRO CA C 191 63.700 63.700 64.102 -0.402 18244 4688 1 11 . 1 1 34 34 PRO CB C 191 32.000 32.000 32.173 -0.173 18244 4689 1 11 . 1 1 35 35 ASN N N 192 112.827 112.827 114.970 -2.143 18244 4690 1 11 . 1 1 35 35 ASN HA H 192 4.456 4.456 4.521 -0.065 18244 4691 1 11 . 1 1 35 35 ASN C C 192 176.500 176.500 174.626 1.874 18244 4692 1 11 . 1 1 35 35 ASN CA C 192 53.700 53.700 54.184 -0.484 18244 4693 1 11 . 1 1 35 35 ASN CB C 192 37.300 37.300 38.035 -0.735 18244 4694 1 11 . 1 1 35 35 ASN H H 192 8.256 8.256 8.756 -0.500 18244 4695 1 11 . 1 1 36 36 ILE N N 193 119.133 119.133 117.620 1.513 18244 4696 1 11 . 1 1 36 36 ILE HA H 193 4.144 4.144 4.377 -0.233 18244 4697 1 11 . 1 1 36 36 ILE C C 193 177.200 177.200 174.903 2.297 18244 4698 1 11 . 1 1 36 36 ILE CA C 193 59.100 59.100 60.022 -0.922 18244 4699 1 11 . 1 1 36 36 ILE CB C 193 37.000 37.000 40.520 -3.520 18244 4700 1 11 . 1 1 36 36 ILE H H 193 7.166 7.166 7.338 -0.172 18244 4701 1 11 . 1 1 37 37 ASN N N 194 121.068 121.068 118.534 2.534 18244 4702 1 11 . 1 1 37 37 ASN HA H 194 4.667 4.667 4.712 -0.045 18244 4703 1 11 . 1 1 37 37 ASN C C 194 175.600 175.600 174.865 0.735 18244 4704 1 11 . 1 1 37 37 ASN CA C 194 53.400 53.400 53.682 -0.282 18244 4705 1 11 . 1 1 37 37 ASN CB C 194 40.400 40.400 39.369 1.031 18244 4706 1 11 . 1 1 37 37 ASN H H 194 8.764 8.764 8.479 0.285 18244 4707 1 11 . 1 1 38 38 THR N N 195 106.795 106.795 116.178 -9.383 18244 4708 1 11 . 1 1 38 38 THR HA H 195 4.924 4.924 4.454 0.470 18244 4709 1 11 . 1 1 38 38 THR C C 195 178.000 178.000 175.359 2.641 18244 4710 1 11 . 1 1 38 38 THR CA C 195 58.800 58.800 63.229 -4.429 18244 4711 1 11 . 1 1 38 38 THR CB C 195 73.500 73.500 69.084 4.416 18244 4712 1 11 . 1 1 38 38 THR H H 195 7.527 7.527 7.873 -0.346 18244 4713 1 11 . 1 1 39 39 TRP N N 196 123.744 123.744 128.156 -4.412 18244 4714 1 11 . 1 1 39 39 TRP HA H 196 4.533 4.533 4.209 0.324 18244 4715 1 11 . 1 1 39 39 TRP C C 196 182.300 182.300 178.458 3.842 18244 4716 1 11 . 1 1 39 39 TRP CA C 196 60.100 60.100 62.533 -2.433 18244 4717 1 11 . 1 1 39 39 TRP CB C 196 29.400 29.400 29.512 -0.112 18244 4718 1 11 . 1 1 39 39 TRP H H 196 10.363 10.363 8.923 1.440 18244 4719 1 11 . 1 1 40 40 GLN N N 197 120.207 120.207 116.574 3.633 18244 4720 1 11 . 1 1 40 40 GLN HA H 197 4.268 4.268 4.116 0.152 18244 4721 1 11 . 1 1 40 40 GLN C C 197 180.900 180.900 177.913 2.987 18244 4722 1 11 . 1 1 40 40 GLN CA C 197 59.500 59.500 58.663 0.837 18244 4723 1 11 . 1 1 40 40 GLN CB C 197 28.500 28.500 28.082 0.418 18244 4724 1 11 . 1 1 40 40 GLN H H 197 8.550 8.550 8.960 -0.410 18244 4725 1 11 . 1 1 41 41 GLN N N 198 118.163 118.163 117.363 0.800 18244 4726 1 11 . 1 1 41 41 GLN HA H 198 4.191 4.191 4.287 -0.096 18244 4727 1 11 . 1 1 41 41 GLN C C 198 181.500 181.500 178.819 2.681 18244 4728 1 11 . 1 1 41 41 GLN CA C 198 58.500 58.500 58.368 0.132 18244 4729 1 11 . 1 1 41 41 GLN CB C 198 30.400 30.400 29.198 1.202 18244 4730 1 11 . 1 1 41 41 GLN H H 198 7.594 7.594 7.772 -0.178 18244 4731 1 11 . 1 1 42 42 VAL N N 199 121.112 121.112 117.697 3.415 18244 4732 1 11 . 1 1 42 42 VAL HA H 199 3.479 3.479 3.920 -0.441 18244 4733 1 11 . 1 1 42 42 VAL C C 199 180.000 180.000 177.408 2.592 18244 4734 1 11 . 1 1 42 42 VAL CA C 199 67.500 67.500 65.311 2.189 18244 4735 1 11 . 1 1 42 42 VAL CB C 199 32.000 32.000 30.957 1.043 18244 4736 1 11 . 1 1 42 42 VAL H H 199 8.116 8.116 8.273 -0.157 18244 4737 1 11 . 1 1 43 43 THR N N 200 113.870 113.870 114.043 -0.173 18244 4738 1 11 . 1 1 43 43 THR HA H 200 3.904 3.904 4.288 -0.384 18244 4739 1 11 . 1 1 43 43 THR C C 200 178.900 178.900 176.077 2.823 18244 4740 1 11 . 1 1 43 43 THR CA C 200 67.000 67.000 64.645 2.355 18244 4741 1 11 . 1 1 43 43 THR CB C 200 68.500 68.500 68.103 0.397 18244 4742 1 11 . 1 1 43 43 THR H H 200 8.726 8.726 7.844 0.882 18244 4743 1 11 . 1 1 44 44 ALA N N 201 124.369 124.369 124.540 -0.171 18244 4744 1 11 . 1 1 44 44 ALA HA H 201 4.280 4.280 4.197 0.083 18244 4745 1 11 . 1 1 44 44 ALA C C 201 182.700 182.700 179.032 3.668 18244 4746 1 11 . 1 1 44 44 ALA CA C 201 55.500 55.500 54.567 0.933 18244 4747 1 11 . 1 1 44 44 ALA CB C 201 17.900 17.900 18.035 -0.135 18244 4748 1 11 . 1 1 44 44 ALA H H 201 7.539 7.539 7.738 -0.199 18244 4749 1 11 . 1 1 45 45 LEU N N 202 117.896 117.896 117.917 -0.021 18244 4750 1 11 . 1 1 45 45 LEU HA H 202 4.068 4.068 3.977 0.091 18244 4751 1 11 . 1 1 45 45 LEU C C 202 182.200 182.200 178.187 4.013 18244 4752 1 11 . 1 1 45 45 LEU CA C 202 58.100 58.100 56.331 1.769 18244 4753 1 11 . 1 1 45 45 LEU CB C 202 41.800 41.800 41.439 0.361 18244 4754 1 11 . 1 1 45 45 LEU H H 202 7.716 7.716 7.510 0.206 18244 4755 1 11 . 1 1 46 46 ALA N N 203 121.746 121.746 121.017 0.729 18244 4756 1 11 . 1 1 46 46 ALA HA H 203 4.184 4.184 3.997 0.187 18244 4757 1 11 . 1 1 46 46 ALA C C 203 184.300 184.300 180.164 4.136 18244 4758 1 11 . 1 1 46 46 ALA CA C 203 55.400 55.400 55.046 0.354 18244 4759 1 11 . 1 1 46 46 ALA CB C 203 18.100 18.100 18.299 -0.199 18244 4760 1 11 . 1 1 46 46 ALA H H 203 8.117 8.117 7.823 0.294 18244 4761 1 11 . 1 1 47 47 GLN N N 204 120.247 120.247 115.752 4.495 18244 4762 1 11 . 1 1 47 47 GLN HA H 204 4.088 4.088 4.358 -0.270 18244 4763 1 11 . 1 1 47 47 GLN C C 204 180.100 180.100 176.916 3.184 18244 4764 1 11 . 1 1 47 47 GLN CA C 204 58.900 58.900 56.247 2.653 18244 4765 1 11 . 1 1 47 47 GLN CB C 204 28.500 28.500 28.456 0.044 18244 4766 1 11 . 1 1 47 47 GLN H H 204 8.515 8.515 7.857 0.658 18244 4767 1 11 . 1 1 48 48 GLN N N 205 116.167 116.167 118.702 -2.535 18244 4768 1 11 . 1 1 48 48 GLN HA H 205 4.290 4.290 4.332 -0.042 18244 4769 1 11 . 1 1 48 48 GLN C C 205 176.700 176.700 174.766 1.934 18244 4770 1 11 . 1 1 48 48 GLN CA C 205 55.900 55.900 55.003 0.897 18244 4771 1 11 . 1 1 48 48 GLN CB C 205 30.000 30.000 27.948 2.052 18244 4772 1 11 . 1 1 48 48 GLN H H 205 7.534 7.534 7.271 0.263 18244 4773 1 11 . 1 1 49 49 LYS N N 206 113.354 113.354 116.862 -3.508 18244 4774 1 11 . 1 1 49 49 LYS HA H 206 4.118 4.118 3.915 0.203 18244 4775 1 11 . 1 1 49 49 LYS C C 206 178.700 178.700 175.547 3.153 18244 4776 1 11 . 1 1 49 49 LYS CA C 206 57.500 57.500 57.642 -0.142 18244 4777 1 11 . 1 1 49 49 LYS CB C 206 28.300 28.300 29.784 -1.484 18244 4778 1 11 . 1 1 49 49 LYS H H 206 7.957 7.957 8.292 -0.335 18244 4779 1 11 . 1 1 50 50 LEU N N 207 116.944 116.944 115.946 0.998 18244 4780 1 11 . 1 1 50 50 LEU HA H 207 4.423 4.423 4.432 -0.009 18244 4781 1 11 . 1 1 50 50 LEU C C 207 180.000 180.000 176.744 3.256 18244 4782 1 11 . 1 1 50 50 LEU CA C 207 55.300 55.300 54.998 0.302 18244 4783 1 11 . 1 1 50 50 LEU CB C 207 42.500 42.500 43.732 -1.232 18244 4784 1 11 . 1 1 50 50 LEU H H 207 8.016 8.016 7.995 0.021 18244 4785 1 11 . 1 1 51 51 LEU N N 208 117.793 117.793 119.848 -2.055 18244 4786 1 11 . 1 1 51 51 LEU HA H 208 4.922 4.922 4.455 0.467 18244 4787 1 11 . 1 1 51 51 LEU C C 208 179.000 179.000 176.570 2.430 18244 4788 1 11 . 1 1 51 51 LEU CA C 208 53.400 53.400 54.293 -0.893 18244 4789 1 11 . 1 1 51 51 LEU CB C 208 44.500 44.500 43.708 0.792 18244 4790 1 11 . 1 1 51 51 LEU H H 208 7.109 7.109 7.814 -0.705 18244 4791 1 11 . 1 1 52 52 THR N N 209 115.695 115.695 114.716 0.979 18244 4792 1 11 . 1 1 52 52 THR HA H 209 4.623 4.623 4.768 -0.145 18244 4793 1 11 . 1 1 52 52 THR CA C 209 60.700 60.700 58.941 1.759 18244 4794 1 11 . 1 1 52 52 THR CB C 209 69.000 69.000 69.633 -0.633 18244 4795 1 11 . 1 1 52 52 THR H H 209 9.460 9.460 8.863 0.597 18244 4796 1 11 . 1 1 53 53 PRO HA H 210 4.275 4.275 4.302 -0.027 18244 4797 1 11 . 1 1 53 53 PRO C C 210 181.700 181.700 177.150 4.550 18244 4798 1 11 . 1 1 53 53 PRO CA C 210 66.000 66.000 64.983 1.017 18244 4799 1 11 . 1 1 53 53 PRO CB C 210 31.600 31.600 31.637 -0.037 18244 4800 1 11 . 1 1 54 54 GLN N N 211 116.837 116.837 116.288 0.549 18244 4801 1 11 . 1 1 54 54 GLN HA H 211 4.119 4.119 4.318 -0.199 18244 4802 1 11 . 1 1 54 54 GLN C C 211 181.500 181.500 177.883 3.617 18244 4803 1 11 . 1 1 54 54 GLN CA C 211 59.800 59.800 57.739 2.061 18244 4804 1 11 . 1 1 54 54 GLN CB C 211 28.100 28.100 28.828 -0.728 18244 4805 1 11 . 1 1 54 54 GLN H H 211 8.229 8.229 7.589 0.640 18244 4806 1 11 . 1 1 55 55 ASP N N 212 123.621 123.621 121.267 2.354 18244 4807 1 11 . 1 1 55 55 ASP HA H 212 4.353 4.353 4.545 -0.192 18244 4808 1 11 . 1 1 55 55 ASP C C 212 181.100 181.100 178.241 2.859 18244 4809 1 11 . 1 1 55 55 ASP CA C 212 57.900 57.900 56.797 1.103 18244 4810 1 11 . 1 1 55 55 ASP CB C 212 41.700 41.700 41.078 0.622 18244 4811 1 11 . 1 1 55 55 ASP H H 212 7.957 7.957 7.646 0.311 18244 4812 1 11 . 1 1 56 56 MET N N 213 117.263 117.263 116.691 0.572 18244 4813 1 11 . 1 1 56 56 MET HA H 213 4.380 4.380 4.274 0.106 18244 4814 1 11 . 1 1 56 56 MET C C 213 181.000 181.000 177.288 3.712 18244 4815 1 11 . 1 1 56 56 MET CA C 213 57.100 57.100 58.958 -1.858 18244 4816 1 11 . 1 1 56 56 MET CB C 213 31.200 31.200 32.557 -1.357 18244 4817 1 11 . 1 1 56 56 MET H H 213 8.314 8.314 7.886 0.428 18244 4818 1 11 . 1 1 57 57 GLU N N 214 120.570 120.570 117.359 3.211 18244 4819 1 11 . 1 1 57 57 GLU HA H 214 4.085 4.085 4.316 -0.231 18244 4820 1 11 . 1 1 57 57 GLU C C 214 181.700 181.700 178.024 3.676 18244 4821 1 11 . 1 1 57 57 GLU CA C 214 59.500 59.500 58.262 1.238 18244 4822 1 11 . 1 1 57 57 GLU CB C 214 29.300 29.300 29.660 -0.360 18244 4823 1 11 . 1 1 57 57 GLU H H 214 8.039 8.039 8.011 0.028 18244 4824 1 11 . 1 1 58 58 ALA N N 215 121.915 121.915 122.200 -0.285 18244 4825 1 11 . 1 1 58 58 ALA HA H 215 4.361 4.361 4.611 -0.250 18244 4826 1 11 . 1 1 58 58 ALA C C 215 182.800 182.800 179.135 3.665 18244 4827 1 11 . 1 1 58 58 ALA CA C 215 55.100 55.100 54.352 0.748 18244 4828 1 11 . 1 1 58 58 ALA CB C 215 18.500 18.500 18.629 -0.129 18244 4829 1 11 . 1 1 58 58 ALA H H 215 7.571 7.571 7.329 0.242 18244 4830 1 11 . 1 1 59 59 ALA N N 216 120.749 120.749 119.694 1.055 18244 4831 1 11 . 1 1 59 59 ALA HA H 216 4.137 4.137 4.103 0.034 18244 4832 1 11 . 1 1 59 59 ALA C C 216 180.800 180.800 178.936 1.864 18244 4833 1 11 . 1 1 59 59 ALA CA C 216 55.700 55.700 54.521 1.179 18244 4834 1 11 . 1 1 59 59 ALA CB C 216 18.100 18.100 18.485 -0.385 18244 4835 1 11 . 1 1 59 59 ALA H H 216 8.728 8.728 7.837 0.891 18244 4836 1 11 . 1 1 60 60 LYS N N 217 117.415 117.415 118.894 -1.479 18244 4837 1 11 . 1 1 60 60 LYS HA H 217 3.700 3.700 4.019 -0.319 18244 4838 1 11 . 1 1 60 60 LYS C C 217 181.300 181.300 179.094 2.206 18244 4839 1 11 . 1 1 60 60 LYS CA C 217 60.200 60.200 59.805 0.395 18244 4840 1 11 . 1 1 60 60 LYS CB C 217 32.600 32.600 32.265 0.335 18244 4841 1 11 . 1 1 60 60 LYS H H 217 8.292 8.292 7.625 0.667 18244 4842 1 11 . 1 1 61 61 GLN N N 218 118.499 118.499 118.945 -0.446 18244 4843 1 11 . 1 1 61 61 GLN HA H 218 4.171 4.171 4.099 0.072 18244 4844 1 11 . 1 1 61 61 GLN C C 218 181.500 181.500 178.434 3.066 18244 4845 1 11 . 1 1 61 61 GLN CA C 218 59.200 59.200 58.950 0.250 18244 4846 1 11 . 1 1 61 61 GLN CB C 218 29.400 29.400 28.542 0.858 18244 4847 1 11 . 1 1 61 61 GLN H H 218 7.401 7.401 7.729 -0.328 18244 4848 1 11 . 1 1 62 62 VAL N N 219 119.685 119.685 119.884 -0.199 18244 4849 1 11 . 1 1 62 62 VAL HA H 219 3.746 3.746 3.751 -0.005 18244 4850 1 11 . 1 1 62 62 VAL C C 219 179.400 179.400 178.123 1.277 18244 4851 1 11 . 1 1 62 62 VAL CA C 219 66.800 66.800 66.369 0.431 18244 4852 1 11 . 1 1 62 62 VAL CB C 219 31.900 31.900 31.189 0.711 18244 4853 1 11 . 1 1 62 62 VAL H H 219 8.036 8.036 7.597 0.439 18244 4854 1 11 . 1 1 63 63 TYR N N 220 123.794 123.794 121.031 2.763 18244 4855 1 11 . 1 1 63 63 TYR HA H 220 3.725 3.725 4.408 -0.683 18244 4856 1 11 . 1 1 63 63 TYR C C 220 179.300 179.300 177.797 1.503 18244 4857 1 11 . 1 1 63 63 TYR CA C 220 62.200 62.200 61.504 0.696 18244 4858 1 11 . 1 1 63 63 TYR CB C 220 38.000 38.000 38.177 -0.177 18244 4859 1 11 . 1 1 63 63 TYR H H 220 8.802 8.802 8.028 0.774 18244 4860 1 11 . 1 1 64 64 LYS N N 221 117.772 117.772 119.171 -1.399 18244 4861 1 11 . 1 1 64 64 LYS HA H 221 3.864 3.864 4.124 -0.260 18244 4862 1 11 . 1 1 64 64 LYS C C 221 181.700 181.700 179.069 2.631 18244 4863 1 11 . 1 1 64 64 LYS CA C 221 59.800 59.800 59.152 0.648 18244 4864 1 11 . 1 1 64 64 LYS CB C 221 32.200 32.200 32.563 -0.363 18244 4865 1 11 . 1 1 64 64 LYS H H 221 7.452 7.452 7.720 -0.268 18244 4866 1 11 . 1 1 65 65 ILE N N 222 119.985 119.985 118.988 0.997 18244 4867 1 11 . 1 1 65 65 ILE HA H 222 3.757 3.757 3.763 -0.006 18244 4868 1 11 . 1 1 65 65 ILE C C 222 180.700 180.700 177.297 3.403 18244 4869 1 11 . 1 1 65 65 ILE CA C 222 65.000 65.000 64.608 0.392 18244 4870 1 11 . 1 1 65 65 ILE CB C 222 38.200 38.200 37.798 0.402 18244 4871 1 11 . 1 1 65 65 ILE H H 222 7.673 7.673 7.986 -0.313 18244 4872 1 11 . 1 1 66 66 HIS N N 223 121.506 121.506 120.319 1.187 18244 4873 1 11 . 1 1 66 66 HIS HA H 223 4.343 4.343 4.169 0.174 18244 4874 1 11 . 1 1 66 66 HIS C C 223 179.400 179.400 177.386 2.014 18244 4875 1 11 . 1 1 66 66 HIS CA C 223 57.500 57.500 59.754 -2.254 18244 4876 1 11 . 1 1 66 66 HIS CB C 223 32.800 32.800 30.649 2.151 18244 4877 1 11 . 1 1 66 66 HIS H H 223 8.943 8.943 8.232 0.711 18244 4878 1 11 . 1 1 67 67 GLN N N 224 117.421 117.421 117.413 0.008 18244 4879 1 11 . 1 1 67 67 GLN HA H 224 3.720 3.720 3.941 -0.221 18244 4880 1 11 . 1 1 67 67 GLN C C 224 180.200 180.200 178.382 1.818 18244 4881 1 11 . 1 1 67 67 GLN CA C 224 59.800 59.800 58.393 1.407 18244 4882 1 11 . 1 1 67 67 GLN CB C 224 29.500 29.500 27.974 1.526 18244 4883 1 11 . 1 1 67 67 GLN H H 224 8.526 8.526 8.046 0.480 18244 4884 1 11 . 1 1 68 68 GLN N N 225 117.385 117.385 120.453 -3.068 18244 4885 1 11 . 1 1 68 68 GLN HA H 225 4.017 4.017 4.053 -0.036 18244 4886 1 11 . 1 1 68 68 GLN C C 225 181.100 181.100 178.686 2.414 18244 4887 1 11 . 1 1 68 68 GLN CA C 225 59.200 59.200 58.820 0.380 18244 4888 1 11 . 1 1 68 68 GLN CB C 225 28.400 28.400 28.571 -0.171 18244 4889 1 11 . 1 1 68 68 GLN H H 225 7.673 7.673 7.545 0.128 18244 4890 1 11 . 1 1 69 69 LEU N N 226 120.608 120.608 120.163 0.445 18244 4891 1 11 . 1 1 69 69 LEU HA H 226 4.126 4.126 4.021 0.105 18244 4892 1 11 . 1 1 69 69 LEU C C 226 182.700 182.700 179.194 3.506 18244 4893 1 11 . 1 1 69 69 LEU CA C 226 58.200 58.200 57.967 0.233 18244 4894 1 11 . 1 1 69 69 LEU CB C 226 42.000 42.000 41.794 0.206 18244 4895 1 11 . 1 1 69 69 LEU H H 226 8.227 8.227 7.613 0.614 18244 4896 1 11 . 1 1 70 70 LEU N N 227 120.607 120.607 119.199 1.408 18244 4897 1 11 . 1 1 70 70 LEU HA H 227 4.108 4.108 3.943 0.165 18244 4898 1 11 . 1 1 70 70 LEU C C 227 181.900 181.900 179.219 2.681 18244 4899 1 11 . 1 1 70 70 LEU CA C 227 57.700 57.700 57.816 -0.116 18244 4900 1 11 . 1 1 70 70 LEU CB C 227 41.900 41.900 41.727 0.173 18244 4901 1 11 . 1 1 70 70 LEU H H 227 8.273 8.273 7.597 0.676 18244 4902 1 11 . 1 1 71 71 PHE N N 228 119.975 119.975 119.970 0.005 18244 4903 1 11 . 1 1 71 71 PHE HA H 228 4.315 4.315 4.018 0.297 18244 4904 1 11 . 1 1 71 71 PHE C C 228 180.100 180.100 177.350 2.750 18244 4905 1 11 . 1 1 71 71 PHE CA C 228 60.200 60.200 62.200 -2.000 18244 4906 1 11 . 1 1 71 71 PHE CB C 228 39.000 39.000 39.212 -0.212 18244 4907 1 11 . 1 1 71 71 PHE H H 228 8.469 8.469 8.453 0.016 18244 4908 1 11 . 1 1 72 72 LYS N N 229 119.148 119.148 119.508 -0.360 18244 4909 1 11 . 1 1 72 72 LYS HA H 229 4.012 4.012 3.949 0.063 18244 4910 1 11 . 1 1 72 72 LYS C C 229 180.400 180.400 178.696 1.704 18244 4911 1 11 . 1 1 72 72 LYS CA C 229 58.800 58.800 59.981 -1.181 18244 4912 1 11 . 1 1 72 72 LYS CB C 229 32.300 32.300 32.323 -0.023 18244 4913 1 11 . 1 1 72 72 LYS H H 229 8.143 8.143 8.501 -0.358 18244 4914 1 11 . 1 1 73 73 ALA N N 230 121.483 121.483 121.413 0.070 18244 4915 1 11 . 1 1 73 73 ALA HA H 230 4.224 4.224 4.398 -0.174 18244 4916 1 11 . 1 1 73 73 ALA C C 230 181.600 181.600 179.780 1.820 18244 4917 1 11 . 1 1 73 73 ALA CA C 230 54.200 54.200 54.594 -0.394 18244 4918 1 11 . 1 1 73 73 ALA CB C 230 18.500 18.500 18.466 0.034 18244 4919 1 11 . 1 1 73 73 ALA H H 230 7.886 7.886 8.177 -0.291 18244 4920 1 11 . 1 1 74 74 ARG N N 231 118.073 118.073 118.115 -0.042 18244 4921 1 11 . 1 1 74 74 ARG HA H 231 4.189 4.189 4.083 0.106 18244 4922 1 11 . 1 1 74 74 ARG C C 231 179.900 179.900 177.934 1.966 18244 4923 1 11 . 1 1 74 74 ARG CA C 231 57.600 57.600 58.036 -0.436 18244 4924 1 11 . 1 1 74 74 ARG CB C 231 30.100 30.100 29.963 0.137 18244 4925 1 11 . 1 1 74 74 ARG H H 231 7.849 7.849 7.664 0.185 18244 4926 1 11 . 1 1 75 75 LEU N N 232 120.575 120.575 118.547 2.028 18244 4927 1 11 . 1 1 75 75 LEU HA H 232 4.181 4.181 4.193 -0.012 18244 4928 1 11 . 1 1 75 75 LEU C C 232 180.600 180.600 178.159 2.441 18244 4929 1 11 . 1 1 75 75 LEU CA C 232 56.400 56.400 56.225 0.175 18244 4930 1 11 . 1 1 75 75 LEU CB C 232 42.000 42.000 42.492 -0.492 18244 4931 1 11 . 1 1 75 75 LEU H H 232 7.847 7.847 7.697 0.150 18244 4932 1 11 . 1 1 76 76 GLN N N 233 118.890 118.890 116.457 2.433 18244 4933 1 11 . 1 1 76 76 GLN HA H 233 4.220 4.220 4.550 -0.330 18244 4934 1 11 . 1 1 76 76 GLN C C 233 179.100 179.100 176.414 2.686 18244 4935 1 11 . 1 1 76 76 GLN CA C 233 56.900 56.900 54.254 2.646 18244 4936 1 11 . 1 1 76 76 GLN CB C 233 29.000 29.000 28.703 0.297 18244 4937 1 11 . 1 1 76 76 GLN H H 233 8.008 8.008 8.309 -0.301 18244 4938 1 11 . 1 1 77 77 GLN N N 234 119.836 119.836 122.889 -3.053 18244 4939 1 11 . 1 1 77 77 GLN HA H 234 4.263 4.263 4.262 0.001 18244 4940 1 11 . 1 1 77 77 GLN C C 234 178.700 178.700 176.595 2.105 18244 4941 1 11 . 1 1 77 77 GLN CA C 234 56.700 56.700 57.786 -1.086 18244 4942 1 11 . 1 1 77 77 GLN CB C 234 29.100 29.100 29.387 -0.287 18244 4943 1 11 . 1 1 77 77 GLN H H 234 8.078 8.078 8.689 -0.611 18244 4944 1 11 . 1 1 78 78 GLN N N 235 120.341 120.341 117.962 2.379 18244 4945 1 11 . 1 1 78 78 GLN HA H 235 4.288 4.288 4.588 -0.300 18244 4946 1 11 . 1 1 78 78 GLN C C 235 178.400 178.400 175.015 3.385 18244 4947 1 11 . 1 1 78 78 GLN CA C 235 56.400 56.400 54.964 1.436 18244 4948 1 11 . 1 1 78 78 GLN CB C 235 29.300 29.300 29.746 -0.446 18244 4949 1 11 . 1 1 78 78 GLN H H 235 8.226 8.226 8.136 0.090 18244 4950 1 11 . 1 1 79 79 GLN N N 236 120.708 120.708 119.567 1.141 18244 4951 1 11 . 1 1 79 79 GLN HA H 236 4.316 4.316 4.514 -0.198 18244 4952 1 11 . 1 1 79 79 GLN C C 236 177.800 177.800 175.489 2.311 18244 4953 1 11 . 1 1 79 79 GLN CA C 236 55.900 55.900 55.155 0.745 18244 4954 1 11 . 1 1 79 79 GLN CB C 236 29.500 29.500 29.540 -0.040 18244 4955 1 11 . 1 1 79 79 GLN H H 236 8.253 8.253 8.505 -0.252 18244 4956 1 11 . 1 1 80 80 ALA N N 237 125.698 125.698 128.832 -3.134 18244 4957 1 11 . 1 1 80 80 ALA HA H 237 4.336 4.336 4.446 -0.110 18244 4958 1 11 . 1 1 80 80 ALA C C 237 179.000 179.000 177.945 1.055 18244 4959 1 11 . 1 1 80 80 ALA CA C 237 52.800 52.800 53.138 -0.338 18244 4960 1 11 . 1 1 80 80 ALA CB C 237 19.300 19.300 19.301 -0.001 18244 4961 1 11 . 1 1 80 80 ALA H H 237 8.237 8.237 8.546 -0.309 18244 4962 1 12 . 1 1 2 2 ARG HA H 159 4.353 4.353 4.447 -0.094 18244 4963 1 12 . 1 1 2 2 ARG C C 159 178.200 178.200 177.262 0.938 18244 4964 1 12 . 1 1 2 2 ARG CA C 159 56.300 56.300 56.747 -0.447 18244 4965 1 12 . 1 1 2 2 ARG CB C 159 30.900 30.900 30.937 -0.037 18244 4966 1 12 . 1 1 3 3 ARG N N 160 123.623 123.623 118.827 4.796 18244 4967 1 12 . 1 1 3 3 ARG HA H 160 4.306 4.306 4.408 -0.102 18244 4968 1 12 . 1 1 3 3 ARG C C 160 178.000 178.000 176.626 1.374 18244 4969 1 12 . 1 1 3 3 ARG CA C 160 56.100 56.100 56.736 -0.636 18244 4970 1 12 . 1 1 3 3 ARG CB C 160 31.000 31.000 30.991 0.009 18244 4971 1 12 . 1 1 3 3 ARG H H 160 8.558 8.558 8.032 0.526 18244 4972 1 12 . 1 1 4 4 GLN N N 161 122.962 122.962 118.039 4.923 18244 4973 1 12 . 1 1 4 4 GLN HA H 161 4.355 4.355 4.467 -0.112 18244 4974 1 12 . 1 1 4 4 GLN C C 161 177.900 177.900 174.791 3.109 18244 4975 1 12 . 1 1 4 4 GLN CA C 161 55.500 55.500 54.790 0.710 18244 4976 1 12 . 1 1 4 4 GLN CB C 161 29.600 29.600 28.762 0.838 18244 4977 1 12 . 1 1 4 4 GLN H H 161 8.515 8.515 8.496 0.019 18244 4978 1 12 . 1 1 5 5 LEU N N 162 124.755 124.755 126.933 -2.178 18244 4979 1 12 . 1 1 5 5 LEU HA H 162 4.577 4.577 4.509 0.068 18244 4980 1 12 . 1 1 5 5 LEU C C 162 180.500 180.500 176.841 3.659 18244 4981 1 12 . 1 1 5 5 LEU CA C 162 54.700 54.700 55.592 -0.892 18244 4982 1 12 . 1 1 5 5 LEU CB C 162 42.900 42.900 43.016 -0.116 18244 4983 1 12 . 1 1 5 5 LEU H H 162 8.480 8.480 8.605 -0.125 18244 4984 1 12 . 1 1 6 6 THR N N 163 114.727 114.727 108.715 6.012 18244 4985 1 12 . 1 1 6 6 THR HA H 163 4.596 4.596 4.751 -0.155 18244 4986 1 12 . 1 1 6 6 THR CA C 163 60.200 60.200 58.760 1.440 18244 4987 1 12 . 1 1 6 6 THR CB C 163 68.200 68.200 69.843 -1.643 18244 4988 1 12 . 1 1 6 6 THR H H 163 8.623 8.623 7.505 1.118 18244 4989 1 12 . 1 1 7 7 PRO HA H 164 4.263 4.263 4.160 0.103 18244 4990 1 12 . 1 1 7 7 PRO C C 164 181.600 181.600 178.616 2.984 18244 4991 1 12 . 1 1 7 7 PRO CA C 164 65.900 65.900 65.402 0.498 18244 4992 1 12 . 1 1 7 7 PRO CB C 164 31.600 31.600 32.290 -0.690 18244 4993 1 12 . 1 1 8 8 GLN N N 165 116.429 116.429 118.132 -1.703 18244 4994 1 12 . 1 1 8 8 GLN HA H 165 4.063 4.063 4.106 -0.043 18244 4995 1 12 . 1 1 8 8 GLN C C 165 181.300 181.300 178.413 2.887 18244 4996 1 12 . 1 1 8 8 GLN CA C 165 59.500 59.500 59.386 0.114 18244 4997 1 12 . 1 1 8 8 GLN CB C 165 28.300 28.300 28.102 0.198 18244 4998 1 12 . 1 1 8 8 GLN H H 165 8.439 8.439 8.665 -0.226 18244 4999 1 12 . 1 1 9 9 GLN N N 166 120.164 120.164 119.440 0.724 18244 5000 1 12 . 1 1 9 9 GLN HA H 166 3.948 3.948 4.092 -0.144 18244 5001 1 12 . 1 1 9 9 GLN C C 166 180.600 180.600 178.378 2.222 18244 5002 1 12 . 1 1 9 9 GLN CA C 166 58.700 58.700 59.045 -0.345 18244 5003 1 12 . 1 1 9 9 GLN CB C 166 29.300 29.300 28.449 0.851 18244 5004 1 12 . 1 1 9 9 GLN H H 166 7.760 7.760 8.483 -0.723 18244 5005 1 12 . 1 1 10 10 GLN N N 167 119.164 119.164 119.091 0.073 18244 5006 1 12 . 1 1 10 10 GLN HA H 167 3.860 3.860 3.930 -0.070 18244 5007 1 12 . 1 1 10 10 GLN C C 167 180.300 180.300 178.428 1.872 18244 5008 1 12 . 1 1 10 10 GLN CA C 167 58.600 58.600 59.769 -1.169 18244 5009 1 12 . 1 1 10 10 GLN CB C 167 29.000 29.000 28.632 0.368 18244 5010 1 12 . 1 1 10 10 GLN H H 167 8.787 8.787 8.672 0.115 18244 5011 1 12 . 1 1 11 11 GLN N N 168 118.139 118.139 117.389 0.750 18244 5012 1 12 . 1 1 11 11 GLN HA H 168 4.111 4.111 4.124 -0.013 18244 5013 1 12 . 1 1 11 11 GLN C C 168 180.600 180.600 178.312 2.288 18244 5014 1 12 . 1 1 11 11 GLN CA C 168 58.900 58.900 58.130 0.770 18244 5015 1 12 . 1 1 11 11 GLN CB C 168 28.500 28.500 28.453 0.047 18244 5016 1 12 . 1 1 11 11 GLN H H 168 7.987 7.987 7.813 0.174 18244 5017 1 12 . 1 1 12 12 LEU N N 169 120.649 120.649 118.869 1.780 18244 5018 1 12 . 1 1 12 12 LEU HA H 169 4.138 4.138 4.242 -0.104 18244 5019 1 12 . 1 1 12 12 LEU C C 169 181.300 181.300 178.789 2.511 18244 5020 1 12 . 1 1 12 12 LEU CA C 169 58.100 58.100 57.570 0.530 18244 5021 1 12 . 1 1 12 12 LEU CB C 169 41.600 41.600 42.548 -0.948 18244 5022 1 12 . 1 1 12 12 LEU H H 169 7.457 7.457 7.599 -0.142 18244 5023 1 12 . 1 1 13 13 VAL N N 170 119.772 119.772 117.846 1.926 18244 5024 1 12 . 1 1 13 13 VAL HA H 170 3.570 3.570 3.666 -0.096 18244 5025 1 12 . 1 1 13 13 VAL C C 170 180.700 180.700 178.084 2.616 18244 5026 1 12 . 1 1 13 13 VAL CA C 170 66.700 66.700 66.067 0.633 18244 5027 1 12 . 1 1 13 13 VAL CB C 170 31.700 31.700 31.016 0.684 18244 5028 1 12 . 1 1 13 13 VAL H H 170 8.101 8.101 7.809 0.292 18244 5029 1 12 . 1 1 14 14 ASN N N 171 118.278 118.278 117.661 0.617 18244 5030 1 12 . 1 1 14 14 ASN HA H 171 4.454 4.454 4.502 -0.048 18244 5031 1 12 . 1 1 14 14 ASN C C 171 180.800 180.800 177.728 3.072 18244 5032 1 12 . 1 1 14 14 ASN CA C 171 56.000 56.000 55.751 0.249 18244 5033 1 12 . 1 1 14 14 ASN CB C 171 37.600 37.600 38.679 -1.079 18244 5034 1 12 . 1 1 14 14 ASN H H 171 8.253 8.253 8.379 -0.126 18244 5035 1 12 . 1 1 15 15 GLN N N 172 120.079 120.079 118.645 1.434 18244 5036 1 12 . 1 1 15 15 GLN HA H 172 4.152 4.152 4.172 -0.020 18244 5037 1 12 . 1 1 15 15 GLN C C 172 181.100 181.100 178.089 3.011 18244 5038 1 12 . 1 1 15 15 GLN CA C 172 58.600 58.600 58.509 0.091 18244 5039 1 12 . 1 1 15 15 GLN CB C 172 28.800 28.800 29.023 -0.223 18244 5040 1 12 . 1 1 15 15 GLN H H 172 8.112 8.112 7.676 0.436 18244 5041 1 12 . 1 1 16 16 MET N N 173 118.323 118.323 117.389 0.934 18244 5042 1 12 . 1 1 16 16 MET HA H 173 4.266 4.266 4.252 0.014 18244 5043 1 12 . 1 1 16 16 MET C C 173 180.300 180.300 178.198 2.102 18244 5044 1 12 . 1 1 16 16 MET CA C 173 57.300 57.300 55.736 1.564 18244 5045 1 12 . 1 1 16 16 MET CB C 173 31.400 31.400 31.401 -0.001 18244 5046 1 12 . 1 1 16 16 MET H H 173 8.371 8.371 8.104 0.267 18244 5047 1 12 . 1 1 17 17 LYS N N 174 117.179 117.179 120.346 -3.167 18244 5048 1 12 . 1 1 17 17 LYS HA H 174 4.450 4.450 4.175 0.276 18244 5049 1 12 . 1 1 17 17 LYS C C 174 178.400 178.400 177.272 1.128 18244 5050 1 12 . 1 1 17 17 LYS CA C 174 55.800 55.800 58.446 -2.646 18244 5051 1 12 . 1 1 17 17 LYS CB C 174 33.600 33.600 33.057 0.543 18244 5052 1 12 . 1 1 17 17 LYS H H 174 7.798 7.798 7.677 0.121 18244 5053 1 12 . 1 1 18 18 VAL N N 175 135.773 135.773 115.028 20.745 18244 5054 1 12 . 1 1 18 18 VAL HA H 175 4.674 4.674 4.428 0.246 18244 5055 1 12 . 1 1 18 18 VAL C C 175 177.700 177.700 173.973 3.727 18244 5056 1 12 . 1 1 18 18 VAL CA C 175 60.100 60.100 61.145 -1.045 18244 5057 1 12 . 1 1 18 18 VAL CB C 175 33.200 33.200 32.318 0.882 18244 5058 1 12 . 1 1 18 18 VAL H H 175 6.894 6.894 7.485 -0.591 18244 5059 1 12 . 1 1 19 19 ALA N N 176 127.267 127.267 127.913 -0.646 18244 5060 1 12 . 1 1 19 19 ALA HA H 176 4.653 4.653 4.903 -0.250 18244 5061 1 12 . 1 1 19 19 ALA CA C 176 50.200 50.200 49.458 0.742 18244 5062 1 12 . 1 1 19 19 ALA CB C 176 18.800 18.800 21.062 -2.262 18244 5063 1 12 . 1 1 19 19 ALA H H 176 7.508 7.508 8.338 -0.830 18244 5064 1 12 . 1 1 20 20 PRO HA H 177 4.439 4.439 4.585 -0.146 18244 5065 1 12 . 1 1 20 20 PRO C C 177 179.700 179.700 175.447 4.253 18244 5066 1 12 . 1 1 20 20 PRO CA C 177 62.900 62.900 62.525 0.375 18244 5067 1 12 . 1 1 20 20 PRO CB C 177 31.400 31.400 32.456 -1.056 18244 5068 1 12 . 1 1 21 21 ILE N N 178 128.957 128.957 119.786 9.171 18244 5069 1 12 . 1 1 21 21 ILE HA H 178 3.571 3.571 3.803 -0.232 18244 5070 1 12 . 1 1 21 21 ILE CA C 178 59.700 59.700 58.386 1.314 18244 5071 1 12 . 1 1 21 21 ILE CB C 178 39.300 39.300 36.517 2.783 18244 5072 1 12 . 1 1 21 21 ILE H H 178 8.659 8.659 7.808 0.851 18244 5073 1 12 . 1 1 22 22 PRO HA H 179 4.298 4.298 4.321 -0.023 18244 5074 1 12 . 1 1 22 22 PRO C C 179 180.600 180.600 177.250 3.350 18244 5075 1 12 . 1 1 22 22 PRO CA C 179 62.900 62.900 62.277 0.623 18244 5076 1 12 . 1 1 22 22 PRO CB C 179 32.600 32.600 32.380 0.220 18244 5077 1 12 . 1 1 23 23 LYS N N 180 126.052 126.052 121.532 4.520 18244 5078 1 12 . 1 1 23 23 LYS HA H 180 3.848 3.848 3.822 0.026 18244 5079 1 12 . 1 1 23 23 LYS C C 180 180.300 180.300 178.952 1.348 18244 5080 1 12 . 1 1 23 23 LYS CA C 180 60.200 60.200 60.784 -0.584 18244 5081 1 12 . 1 1 23 23 LYS CB C 180 32.400 32.400 32.103 0.297 18244 5082 1 12 . 1 1 23 23 LYS H H 180 8.871 8.871 8.515 0.356 18244 5083 1 12 . 1 1 24 24 GLN N N 181 115.658 115.658 117.963 -2.305 18244 5084 1 12 . 1 1 24 24 GLN HA H 181 4.102 4.102 4.078 0.024 18244 5085 1 12 . 1 1 24 24 GLN C C 181 179.000 179.000 177.515 1.485 18244 5086 1 12 . 1 1 24 24 GLN CA C 181 58.600 58.600 58.320 0.280 18244 5087 1 12 . 1 1 24 24 GLN CB C 181 27.400 27.400 28.206 -0.806 18244 5088 1 12 . 1 1 24 24 GLN H H 181 9.038 9.038 8.528 0.510 18244 5089 1 12 . 1 1 25 25 LEU N N 182 117.088 117.088 118.940 -1.852 18244 5090 1 12 . 1 1 25 25 LEU HA H 182 4.231 4.231 4.162 0.069 18244 5091 1 12 . 1 1 25 25 LEU C C 182 180.300 180.300 178.640 1.660 18244 5092 1 12 . 1 1 25 25 LEU CA C 182 56.600 56.600 56.852 -0.252 18244 5093 1 12 . 1 1 25 25 LEU CB C 182 40.900 40.900 42.198 -1.298 18244 5094 1 12 . 1 1 25 25 LEU H H 182 7.309 7.309 7.350 -0.041 18244 5095 1 12 . 1 1 26 26 LEU N N 183 120.917 120.917 120.528 0.389 18244 5096 1 12 . 1 1 26 26 LEU HA H 183 3.699 3.699 3.915 -0.216 18244 5097 1 12 . 1 1 26 26 LEU C C 183 181.300 181.300 179.060 2.240 18244 5098 1 12 . 1 1 26 26 LEU CA C 183 57.900 57.900 57.639 0.261 18244 5099 1 12 . 1 1 26 26 LEU CB C 183 42.400 42.400 41.788 0.612 18244 5100 1 12 . 1 1 26 26 LEU H H 183 7.842 7.842 8.345 -0.503 18244 5101 1 12 . 1 1 27 27 GLN N N 184 112.112 112.112 116.297 -4.185 18244 5102 1 12 . 1 1 27 27 GLN HA H 184 4.082 4.082 4.163 -0.081 18244 5103 1 12 . 1 1 27 27 GLN C C 184 178.800 178.800 177.337 1.463 18244 5104 1 12 . 1 1 27 27 GLN CA C 184 57.300 57.300 57.130 0.169 18244 5105 1 12 . 1 1 27 27 GLN CB C 184 28.500 28.500 27.885 0.615 18244 5106 1 12 . 1 1 27 27 GLN H H 184 7.505 7.505 7.885 -0.380 18244 5107 1 12 . 1 1 28 28 ARG N N 185 116.659 116.659 118.615 -1.956 18244 5108 1 12 . 1 1 28 28 ARG HA H 185 4.187 4.187 4.224 -0.037 18244 5109 1 12 . 1 1 28 28 ARG C C 185 177.900 177.900 176.135 1.765 18244 5110 1 12 . 1 1 28 28 ARG CA C 185 56.600 56.600 57.311 -0.711 18244 5111 1 12 . 1 1 28 28 ARG CB C 185 30.700 30.700 31.069 -0.369 18244 5112 1 12 . 1 1 28 28 ARG H H 185 7.488 7.488 7.273 0.215 18244 5113 1 12 . 1 1 29 29 ILE N N 186 121.078 121.078 122.172 -1.094 18244 5114 1 12 . 1 1 29 29 ILE HA H 186 4.352 4.352 4.450 -0.098 18244 5115 1 12 . 1 1 29 29 ILE CA C 186 59.300 59.300 58.563 0.737 18244 5116 1 12 . 1 1 29 29 ILE CB C 186 37.800 37.800 38.330 -0.530 18244 5117 1 12 . 1 1 29 29 ILE H H 186 7.630 7.630 7.408 0.222 18244 5118 1 12 . 1 1 30 30 PRO HA H 187 4.256 4.256 4.706 -0.450 18244 5119 1 12 . 1 1 30 30 PRO C C 187 178.500 178.500 176.526 1.974 18244 5120 1 12 . 1 1 30 30 PRO CA C 187 64.100 64.100 61.999 2.101 18244 5121 1 12 . 1 1 30 30 PRO CB C 187 32.400 32.400 32.559 -0.159 18244 5122 1 12 . 1 1 31 31 ASN N N 188 110.335 110.335 115.864 -5.529 18244 5123 1 12 . 1 1 31 31 ASN HA H 188 4.398 4.398 4.474 -0.076 18244 5124 1 12 . 1 1 31 31 ASN C C 188 177.500 177.500 173.809 3.691 18244 5125 1 12 . 1 1 31 31 ASN CA C 188 54.400 54.400 54.275 0.125 18244 5126 1 12 . 1 1 31 31 ASN CB C 188 37.700 37.700 37.765 -0.065 18244 5127 1 12 . 1 1 31 31 ASN H H 188 8.464 8.464 8.969 -0.505 18244 5128 1 12 . 1 1 32 32 ILE N N 189 117.608 117.608 115.002 2.606 18244 5129 1 12 . 1 1 32 32 ILE HA H 189 4.416 4.416 4.520 -0.104 18244 5130 1 12 . 1 1 32 32 ILE CA C 189 58.100 58.100 58.214 -0.114 18244 5131 1 12 . 1 1 32 32 ILE CB C 189 38.600 38.600 40.980 -2.380 18244 5132 1 12 . 1 1 32 32 ILE H H 189 7.325 7.325 7.299 0.026 18244 5133 1 12 . 1 1 33 33 PRO HA H 190 4.749 4.749 4.919 -0.170 18244 5134 1 12 . 1 1 33 33 PRO CA C 190 61.700 61.700 61.293 0.407 18244 5135 1 12 . 1 1 33 33 PRO CB C 190 31.000 31.000 31.442 -0.442 18244 5136 1 12 . 1 1 34 34 PRO HA H 191 4.391 4.391 4.244 0.147 18244 5137 1 12 . 1 1 34 34 PRO C C 191 178.600 178.600 177.291 1.309 18244 5138 1 12 . 1 1 34 34 PRO CA C 191 63.700 63.700 64.304 -0.604 18244 5139 1 12 . 1 1 34 34 PRO CB C 191 32.000 32.000 32.001 -0.001 18244 5140 1 12 . 1 1 35 35 ASN N N 192 112.827 112.827 113.481 -0.654 18244 5141 1 12 . 1 1 35 35 ASN HA H 192 4.456 4.456 4.487 -0.031 18244 5142 1 12 . 1 1 35 35 ASN C C 192 176.500 176.500 174.235 2.265 18244 5143 1 12 . 1 1 35 35 ASN CA C 192 53.700 53.700 53.694 0.006 18244 5144 1 12 . 1 1 35 35 ASN CB C 192 37.300 37.300 38.237 -0.937 18244 5145 1 12 . 1 1 35 35 ASN H H 192 8.256 8.256 8.805 -0.549 18244 5146 1 12 . 1 1 36 36 ILE N N 193 119.133 119.133 112.856 6.277 18244 5147 1 12 . 1 1 36 36 ILE HA H 193 4.144 4.144 4.610 -0.466 18244 5148 1 12 . 1 1 36 36 ILE C C 193 177.200 177.200 174.618 2.582 18244 5149 1 12 . 1 1 36 36 ILE CA C 193 59.100 59.100 59.897 -0.797 18244 5150 1 12 . 1 1 36 36 ILE CB C 193 37.000 37.000 40.631 -3.631 18244 5151 1 12 . 1 1 36 36 ILE H H 193 7.166 7.166 7.708 -0.542 18244 5152 1 12 . 1 1 37 37 ASN N N 194 121.068 121.068 119.413 1.655 18244 5153 1 12 . 1 1 37 37 ASN HA H 194 4.667 4.667 4.909 -0.242 18244 5154 1 12 . 1 1 37 37 ASN C C 194 175.600 175.600 173.557 2.043 18244 5155 1 12 . 1 1 37 37 ASN CA C 194 53.400 53.400 52.386 1.014 18244 5156 1 12 . 1 1 37 37 ASN CB C 194 40.400 40.400 39.984 0.416 18244 5157 1 12 . 1 1 37 37 ASN H H 194 8.764 8.764 8.362 0.402 18244 5158 1 12 . 1 1 38 38 THR N N 195 106.795 106.795 110.541 -3.746 18244 5159 1 12 . 1 1 38 38 THR HA H 195 4.924 4.924 4.472 0.452 18244 5160 1 12 . 1 1 38 38 THR C C 195 178.000 178.000 174.014 3.986 18244 5161 1 12 . 1 1 38 38 THR CA C 195 58.800 58.800 61.345 -2.545 18244 5162 1 12 . 1 1 38 38 THR CB C 195 73.500 73.500 71.052 2.448 18244 5163 1 12 . 1 1 38 38 THR H H 195 7.527 7.527 7.598 -0.071 18244 5164 1 12 . 1 1 39 39 TRP N N 196 123.744 123.744 125.730 -1.986 18244 5165 1 12 . 1 1 39 39 TRP HA H 196 4.533 4.533 4.211 0.322 18244 5166 1 12 . 1 1 39 39 TRP C C 196 182.300 182.300 178.198 4.102 18244 5167 1 12 . 1 1 39 39 TRP CA C 196 60.100 60.100 60.851 -0.751 18244 5168 1 12 . 1 1 39 39 TRP CB C 196 29.400 29.400 29.546 -0.146 18244 5169 1 12 . 1 1 39 39 TRP H H 196 10.363 10.363 8.585 1.778 18244 5170 1 12 . 1 1 40 40 GLN N N 197 120.207 120.207 118.232 1.975 18244 5171 1 12 . 1 1 40 40 GLN HA H 197 4.268 4.268 4.095 0.173 18244 5172 1 12 . 1 1 40 40 GLN C C 197 180.900 180.900 177.748 3.152 18244 5173 1 12 . 1 1 40 40 GLN CA C 197 59.500 59.500 59.005 0.495 18244 5174 1 12 . 1 1 40 40 GLN CB C 197 28.500 28.500 28.297 0.203 18244 5175 1 12 . 1 1 40 40 GLN H H 197 8.550 8.550 8.587 -0.037 18244 5176 1 12 . 1 1 41 41 GLN N N 198 118.163 118.163 116.851 1.312 18244 5177 1 12 . 1 1 41 41 GLN HA H 198 4.191 4.191 4.274 -0.083 18244 5178 1 12 . 1 1 41 41 GLN C C 198 181.500 181.500 178.231 3.269 18244 5179 1 12 . 1 1 41 41 GLN CA C 198 58.500 58.500 57.013 1.487 18244 5180 1 12 . 1 1 41 41 GLN CB C 198 30.400 30.400 29.128 1.272 18244 5181 1 12 . 1 1 41 41 GLN H H 198 7.594 7.594 7.610 -0.016 18244 5182 1 12 . 1 1 42 42 VAL N N 199 121.112 121.112 120.067 1.045 18244 5183 1 12 . 1 1 42 42 VAL HA H 199 3.479 3.479 3.735 -0.256 18244 5184 1 12 . 1 1 42 42 VAL C C 199 180.000 180.000 178.299 1.701 18244 5185 1 12 . 1 1 42 42 VAL CA C 199 67.500 67.500 66.001 1.499 18244 5186 1 12 . 1 1 42 42 VAL CB C 199 32.000 32.000 31.707 0.293 18244 5187 1 12 . 1 1 42 42 VAL H H 199 8.116 8.116 7.974 0.142 18244 5188 1 12 . 1 1 43 43 THR N N 200 113.870 113.870 113.486 0.384 18244 5189 1 12 . 1 1 43 43 THR HA H 200 3.904 3.904 4.282 -0.378 18244 5190 1 12 . 1 1 43 43 THR C C 200 178.900 178.900 176.247 2.653 18244 5191 1 12 . 1 1 43 43 THR CA C 200 67.000 67.000 65.537 1.463 18244 5192 1 12 . 1 1 43 43 THR CB C 200 68.500 68.500 68.718 -0.217 18244 5193 1 12 . 1 1 43 43 THR H H 200 8.726 8.726 8.329 0.397 18244 5194 1 12 . 1 1 44 44 ALA N N 201 124.369 124.369 124.338 0.031 18244 5195 1 12 . 1 1 44 44 ALA HA H 201 4.280 4.280 4.442 -0.162 18244 5196 1 12 . 1 1 44 44 ALA C C 201 182.700 182.700 178.384 4.316 18244 5197 1 12 . 1 1 44 44 ALA CA C 201 55.500 55.500 54.236 1.264 18244 5198 1 12 . 1 1 44 44 ALA CB C 201 17.900 17.900 18.229 -0.329 18244 5199 1 12 . 1 1 44 44 ALA H H 201 7.539 7.539 7.979 -0.440 18244 5200 1 12 . 1 1 45 45 LEU N N 202 117.896 117.896 117.578 0.318 18244 5201 1 12 . 1 1 45 45 LEU HA H 202 4.068 4.068 4.009 0.059 18244 5202 1 12 . 1 1 45 45 LEU C C 202 182.200 182.200 178.403 3.797 18244 5203 1 12 . 1 1 45 45 LEU CA C 202 58.100 58.100 57.078 1.022 18244 5204 1 12 . 1 1 45 45 LEU CB C 202 41.800 41.800 41.562 0.238 18244 5205 1 12 . 1 1 45 45 LEU H H 202 7.716 7.716 7.505 0.211 18244 5206 1 12 . 1 1 46 46 ALA N N 203 121.746 121.746 120.331 1.415 18244 5207 1 12 . 1 1 46 46 ALA HA H 203 4.184 4.184 4.127 0.057 18244 5208 1 12 . 1 1 46 46 ALA C C 203 184.300 184.300 180.010 4.290 18244 5209 1 12 . 1 1 46 46 ALA CA C 203 55.400 55.400 55.036 0.364 18244 5210 1 12 . 1 1 46 46 ALA CB C 203 18.100 18.100 18.410 -0.310 18244 5211 1 12 . 1 1 46 46 ALA H H 203 8.117 8.117 7.624 0.493 18244 5212 1 12 . 1 1 47 47 GLN N N 204 120.247 120.247 118.062 2.185 18244 5213 1 12 . 1 1 47 47 GLN HA H 204 4.088 4.088 4.128 -0.040 18244 5214 1 12 . 1 1 47 47 GLN C C 204 180.100 180.100 177.039 3.061 18244 5215 1 12 . 1 1 47 47 GLN CA C 204 58.900 58.900 58.057 0.843 18244 5216 1 12 . 1 1 47 47 GLN CB C 204 28.500 28.500 28.251 0.249 18244 5217 1 12 . 1 1 47 47 GLN H H 204 8.515 8.515 7.733 0.782 18244 5218 1 12 . 1 1 48 48 GLN N N 205 116.167 116.167 116.364 -0.197 18244 5219 1 12 . 1 1 48 48 GLN HA H 205 4.290 4.290 4.356 -0.066 18244 5220 1 12 . 1 1 48 48 GLN C C 205 176.700 176.700 175.042 1.658 18244 5221 1 12 . 1 1 48 48 GLN CA C 205 55.900 55.900 55.388 0.512 18244 5222 1 12 . 1 1 48 48 GLN CB C 205 30.000 30.000 28.398 1.602 18244 5223 1 12 . 1 1 48 48 GLN H H 205 7.534 7.534 7.470 0.064 18244 5224 1 12 . 1 1 49 49 LYS N N 206 113.354 113.354 115.101 -1.747 18244 5225 1 12 . 1 1 49 49 LYS HA H 206 4.118 4.118 4.034 0.084 18244 5226 1 12 . 1 1 49 49 LYS C C 206 178.700 178.700 176.672 2.028 18244 5227 1 12 . 1 1 49 49 LYS CA C 206 57.500 57.500 57.589 -0.089 18244 5228 1 12 . 1 1 49 49 LYS CB C 206 28.300 28.300 29.584 -1.284 18244 5229 1 12 . 1 1 49 49 LYS H H 206 7.957 7.957 7.884 0.073 18244 5230 1 12 . 1 1 50 50 LEU N N 207 116.944 116.944 116.448 0.496 18244 5231 1 12 . 1 1 50 50 LEU HA H 207 4.423 4.423 4.282 0.141 18244 5232 1 12 . 1 1 50 50 LEU C C 207 180.000 180.000 177.210 2.790 18244 5233 1 12 . 1 1 50 50 LEU CA C 207 55.300 55.300 55.535 -0.235 18244 5234 1 12 . 1 1 50 50 LEU CB C 207 42.500 42.500 42.655 -0.155 18244 5235 1 12 . 1 1 50 50 LEU H H 207 8.016 8.016 7.570 0.446 18244 5236 1 12 . 1 1 51 51 LEU N N 208 117.793 117.793 121.471 -3.678 18244 5237 1 12 . 1 1 51 51 LEU HA H 208 4.922 4.922 4.301 0.621 18244 5238 1 12 . 1 1 51 51 LEU C C 208 179.000 179.000 176.583 2.417 18244 5239 1 12 . 1 1 51 51 LEU CA C 208 53.400 53.400 54.737 -1.337 18244 5240 1 12 . 1 1 51 51 LEU CB C 208 44.500 44.500 43.132 1.368 18244 5241 1 12 . 1 1 51 51 LEU H H 208 7.109 7.109 7.726 -0.617 18244 5242 1 12 . 1 1 52 52 THR N N 209 115.695 115.695 118.494 -2.799 18244 5243 1 12 . 1 1 52 52 THR HA H 209 4.623 4.623 4.875 -0.252 18244 5244 1 12 . 1 1 52 52 THR CA C 209 60.700 60.700 59.114 1.586 18244 5245 1 12 . 1 1 52 52 THR CB C 209 69.000 69.000 69.228 -0.228 18244 5246 1 12 . 1 1 52 52 THR H H 209 9.460 9.460 9.505 -0.045 18244 5247 1 12 . 1 1 53 53 PRO HA H 210 4.275 4.275 4.262 0.013 18244 5248 1 12 . 1 1 53 53 PRO C C 210 181.700 181.700 178.060 3.640 18244 5249 1 12 . 1 1 53 53 PRO CA C 210 66.000 66.000 65.526 0.474 18244 5250 1 12 . 1 1 53 53 PRO CB C 210 31.600 31.600 31.654 -0.054 18244 5251 1 12 . 1 1 54 54 GLN N N 211 116.837 116.837 115.602 1.235 18244 5252 1 12 . 1 1 54 54 GLN HA H 211 4.119 4.119 4.146 -0.027 18244 5253 1 12 . 1 1 54 54 GLN C C 211 181.500 181.500 177.114 4.386 18244 5254 1 12 . 1 1 54 54 GLN CA C 211 59.800 59.800 58.398 1.402 18244 5255 1 12 . 1 1 54 54 GLN CB C 211 28.100 28.100 28.143 -0.043 18244 5256 1 12 . 1 1 54 54 GLN H H 211 8.229 8.229 8.056 0.173 18244 5257 1 12 . 1 1 55 55 ASP N N 212 123.621 123.621 120.213 3.408 18244 5258 1 12 . 1 1 55 55 ASP HA H 212 4.353 4.353 4.637 -0.284 18244 5259 1 12 . 1 1 55 55 ASP C C 212 181.100 181.100 177.864 3.236 18244 5260 1 12 . 1 1 55 55 ASP CA C 212 57.900 57.900 56.004 1.896 18244 5261 1 12 . 1 1 55 55 ASP CB C 212 41.700 41.700 41.102 0.598 18244 5262 1 12 . 1 1 55 55 ASP H H 212 7.957 7.957 7.821 0.136 18244 5263 1 12 . 1 1 56 56 MET N N 213 117.263 117.263 120.350 -3.087 18244 5264 1 12 . 1 1 56 56 MET HA H 213 4.380 4.380 4.104 0.276 18244 5265 1 12 . 1 1 56 56 MET C C 213 181.000 181.000 178.080 2.920 18244 5266 1 12 . 1 1 56 56 MET CA C 213 57.100 57.100 58.868 -1.768 18244 5267 1 12 . 1 1 56 56 MET CB C 213 31.200 31.200 32.200 -1.000 18244 5268 1 12 . 1 1 56 56 MET H H 213 8.314 8.314 8.060 0.254 18244 5269 1 12 . 1 1 57 57 GLU N N 214 120.570 120.570 117.094 3.476 18244 5270 1 12 . 1 1 57 57 GLU HA H 214 4.085 4.085 4.129 -0.044 18244 5271 1 12 . 1 1 57 57 GLU C C 214 181.700 181.700 178.661 3.039 18244 5272 1 12 . 1 1 57 57 GLU CA C 214 59.500 59.500 58.894 0.606 18244 5273 1 12 . 1 1 57 57 GLU CB C 214 29.300 29.300 28.890 0.410 18244 5274 1 12 . 1 1 57 57 GLU H H 214 8.039 8.039 8.152 -0.113 18244 5275 1 12 . 1 1 58 58 ALA N N 215 121.915 121.915 122.168 -0.253 18244 5276 1 12 . 1 1 58 58 ALA HA H 215 4.361 4.361 4.238 0.123 18244 5277 1 12 . 1 1 58 58 ALA C C 215 182.800 182.800 179.164 3.636 18244 5278 1 12 . 1 1 58 58 ALA CA C 215 55.100 55.100 54.661 0.439 18244 5279 1 12 . 1 1 58 58 ALA CB C 215 18.500 18.500 18.379 0.121 18244 5280 1 12 . 1 1 58 58 ALA H H 215 7.571 7.571 7.315 0.256 18244 5281 1 12 . 1 1 59 59 ALA N N 216 120.749 120.749 121.303 -0.554 18244 5282 1 12 . 1 1 59 59 ALA HA H 216 4.137 4.137 4.068 0.069 18244 5283 1 12 . 1 1 59 59 ALA C C 216 180.800 180.800 179.397 1.403 18244 5284 1 12 . 1 1 59 59 ALA CA C 216 55.700 55.700 54.943 0.757 18244 5285 1 12 . 1 1 59 59 ALA CB C 216 18.100 18.100 18.591 -0.491 18244 5286 1 12 . 1 1 59 59 ALA H H 216 8.728 8.728 8.286 0.442 18244 5287 1 12 . 1 1 60 60 LYS N N 217 117.415 117.415 118.590 -1.175 18244 5288 1 12 . 1 1 60 60 LYS HA H 217 3.700 3.700 4.031 -0.331 18244 5289 1 12 . 1 1 60 60 LYS C C 217 181.300 181.300 179.192 2.108 18244 5290 1 12 . 1 1 60 60 LYS CA C 217 60.200 60.200 59.809 0.391 18244 5291 1 12 . 1 1 60 60 LYS CB C 217 32.600 32.600 32.298 0.302 18244 5292 1 12 . 1 1 60 60 LYS H H 217 8.292 8.292 8.144 0.148 18244 5293 1 12 . 1 1 61 61 GLN N N 218 118.499 118.499 118.824 -0.325 18244 5294 1 12 . 1 1 61 61 GLN HA H 218 4.171 4.171 4.122 0.049 18244 5295 1 12 . 1 1 61 61 GLN C C 218 181.500 181.500 178.443 3.057 18244 5296 1 12 . 1 1 61 61 GLN CA C 218 59.200 59.200 58.900 0.300 18244 5297 1 12 . 1 1 61 61 GLN CB C 218 29.400 29.400 28.739 0.661 18244 5298 1 12 . 1 1 61 61 GLN H H 218 7.401 7.401 7.659 -0.258 18244 5299 1 12 . 1 1 62 62 VAL N N 219 119.685 119.685 120.338 -0.653 18244 5300 1 12 . 1 1 62 62 VAL HA H 219 3.746 3.746 3.780 -0.034 18244 5301 1 12 . 1 1 62 62 VAL C C 219 179.400 179.400 178.306 1.094 18244 5302 1 12 . 1 1 62 62 VAL CA C 219 66.800 66.800 66.465 0.335 18244 5303 1 12 . 1 1 62 62 VAL CB C 219 31.900 31.900 31.050 0.850 18244 5304 1 12 . 1 1 62 62 VAL H H 219 8.036 8.036 7.597 0.439 18244 5305 1 12 . 1 1 63 63 TYR N N 220 123.794 123.794 120.734 3.060 18244 5306 1 12 . 1 1 63 63 TYR HA H 220 3.725 3.725 4.216 -0.491 18244 5307 1 12 . 1 1 63 63 TYR C C 220 179.300 179.300 177.979 1.321 18244 5308 1 12 . 1 1 63 63 TYR CA C 220 62.200 62.200 61.604 0.596 18244 5309 1 12 . 1 1 63 63 TYR CB C 220 38.000 38.000 37.899 0.101 18244 5310 1 12 . 1 1 63 63 TYR H H 220 8.802 8.802 7.924 0.878 18244 5311 1 12 . 1 1 64 64 LYS N N 221 117.772 117.772 120.074 -2.302 18244 5312 1 12 . 1 1 64 64 LYS HA H 221 3.864 3.864 4.081 -0.217 18244 5313 1 12 . 1 1 64 64 LYS C C 221 181.700 181.700 179.444 2.256 18244 5314 1 12 . 1 1 64 64 LYS CA C 221 59.800 59.800 59.522 0.279 18244 5315 1 12 . 1 1 64 64 LYS CB C 221 32.200 32.200 32.399 -0.199 18244 5316 1 12 . 1 1 64 64 LYS H H 221 7.452 7.452 7.673 -0.221 18244 5317 1 12 . 1 1 65 65 ILE N N 222 119.985 119.985 119.144 0.841 18244 5318 1 12 . 1 1 65 65 ILE HA H 222 3.757 3.757 3.741 0.016 18244 5319 1 12 . 1 1 65 65 ILE C C 222 180.700 180.700 177.372 3.328 18244 5320 1 12 . 1 1 65 65 ILE CA C 222 65.000 65.000 64.991 0.009 18244 5321 1 12 . 1 1 65 65 ILE CB C 222 38.200 38.200 37.998 0.202 18244 5322 1 12 . 1 1 65 65 ILE H H 222 7.673 7.673 8.324 -0.651 18244 5323 1 12 . 1 1 66 66 HIS N N 223 121.506 121.506 120.338 1.168 18244 5324 1 12 . 1 1 66 66 HIS HA H 223 4.343 4.343 4.108 0.235 18244 5325 1 12 . 1 1 66 66 HIS C C 223 179.400 179.400 177.398 2.002 18244 5326 1 12 . 1 1 66 66 HIS CA C 223 57.500 57.500 60.078 -2.578 18244 5327 1 12 . 1 1 66 66 HIS CB C 223 32.800 32.800 30.531 2.269 18244 5328 1 12 . 1 1 66 66 HIS H H 223 8.943 8.943 8.628 0.315 18244 5329 1 12 . 1 1 67 67 GLN N N 224 117.421 117.421 116.538 0.883 18244 5330 1 12 . 1 1 67 67 GLN HA H 224 3.720 3.720 4.111 -0.391 18244 5331 1 12 . 1 1 67 67 GLN C C 224 180.200 180.200 178.422 1.778 18244 5332 1 12 . 1 1 67 67 GLN CA C 224 59.800 59.800 58.608 1.192 18244 5333 1 12 . 1 1 67 67 GLN CB C 224 29.500 29.500 27.962 1.538 18244 5334 1 12 . 1 1 67 67 GLN H H 224 8.526 8.526 8.157 0.369 18244 5335 1 12 . 1 1 68 68 GLN N N 225 117.385 117.385 119.627 -2.242 18244 5336 1 12 . 1 1 68 68 GLN HA H 225 4.017 4.017 4.215 -0.198 18244 5337 1 12 . 1 1 68 68 GLN C C 225 181.100 181.100 178.608 2.492 18244 5338 1 12 . 1 1 68 68 GLN CA C 225 59.200 59.200 58.379 0.821 18244 5339 1 12 . 1 1 68 68 GLN CB C 225 28.400 28.400 28.964 -0.564 18244 5340 1 12 . 1 1 68 68 GLN H H 225 7.673 7.673 7.676 -0.003 18244 5341 1 12 . 1 1 69 69 LEU N N 226 120.608 120.608 121.369 -0.761 18244 5342 1 12 . 1 1 69 69 LEU HA H 226 4.126 4.126 4.087 0.039 18244 5343 1 12 . 1 1 69 69 LEU C C 226 182.700 182.700 179.017 3.683 18244 5344 1 12 . 1 1 69 69 LEU CA C 226 58.200 58.200 58.261 -0.061 18244 5345 1 12 . 1 1 69 69 LEU CB C 226 42.000 42.000 41.844 0.156 18244 5346 1 12 . 1 1 69 69 LEU H H 226 8.227 8.227 8.232 -0.005 18244 5347 1 12 . 1 1 70 70 LEU N N 227 120.607 120.607 119.192 1.415 18244 5348 1 12 . 1 1 70 70 LEU HA H 227 4.108 4.108 3.981 0.127 18244 5349 1 12 . 1 1 70 70 LEU C C 227 181.900 181.900 179.182 2.718 18244 5350 1 12 . 1 1 70 70 LEU CA C 227 57.700 57.700 57.903 -0.202 18244 5351 1 12 . 1 1 70 70 LEU CB C 227 41.900 41.900 41.516 0.384 18244 5352 1 12 . 1 1 70 70 LEU H H 227 8.273 8.273 7.991 0.282 18244 5353 1 12 . 1 1 71 71 PHE N N 228 119.975 119.975 119.717 0.258 18244 5354 1 12 . 1 1 71 71 PHE HA H 228 4.315 4.315 4.083 0.232 18244 5355 1 12 . 1 1 71 71 PHE C C 228 180.100 180.100 177.510 2.590 18244 5356 1 12 . 1 1 71 71 PHE CA C 228 60.200 60.200 61.829 -1.629 18244 5357 1 12 . 1 1 71 71 PHE CB C 228 39.000 39.000 39.038 -0.038 18244 5358 1 12 . 1 1 71 71 PHE H H 228 8.469 8.469 7.712 0.757 18244 5359 1 12 . 1 1 72 72 LYS N N 229 119.148 119.148 118.812 0.336 18244 5360 1 12 . 1 1 72 72 LYS HA H 229 4.012 4.012 3.982 0.030 18244 5361 1 12 . 1 1 72 72 LYS C C 229 180.400 180.400 178.646 1.754 18244 5362 1 12 . 1 1 72 72 LYS CA C 229 58.800 58.800 59.931 -1.131 18244 5363 1 12 . 1 1 72 72 LYS CB C 229 32.300 32.300 32.340 -0.040 18244 5364 1 12 . 1 1 72 72 LYS H H 229 8.143 8.143 7.912 0.231 18244 5365 1 12 . 1 1 73 73 ALA N N 230 121.483 121.483 120.958 0.525 18244 5366 1 12 . 1 1 73 73 ALA HA H 230 4.224 4.224 4.441 -0.217 18244 5367 1 12 . 1 1 73 73 ALA C C 230 181.600 181.600 178.507 3.093 18244 5368 1 12 . 1 1 73 73 ALA CA C 230 54.200 54.200 54.327 -0.127 18244 5369 1 12 . 1 1 73 73 ALA CB C 230 18.500 18.500 18.683 -0.183 18244 5370 1 12 . 1 1 73 73 ALA H H 230 7.886 7.886 8.072 -0.186 18244 5371 1 12 . 1 1 74 74 ARG N N 231 118.073 118.073 116.990 1.083 18244 5372 1 12 . 1 1 74 74 ARG HA H 231 4.189 4.189 4.118 0.071 18244 5373 1 12 . 1 1 74 74 ARG C C 231 179.900 179.900 177.645 2.255 18244 5374 1 12 . 1 1 74 74 ARG CA C 231 57.600 57.600 57.941 -0.342 18244 5375 1 12 . 1 1 74 74 ARG CB C 231 30.100 30.100 30.132 -0.032 18244 5376 1 12 . 1 1 74 74 ARG H H 231 7.849 7.849 7.655 0.194 18244 5377 1 12 . 1 1 75 75 LEU N N 232 120.575 120.575 118.485 2.090 18244 5378 1 12 . 1 1 75 75 LEU HA H 232 4.181 4.181 4.258 -0.077 18244 5379 1 12 . 1 1 75 75 LEU C C 232 180.600 180.600 177.463 3.137 18244 5380 1 12 . 1 1 75 75 LEU CA C 232 56.400 56.400 56.135 0.265 18244 5381 1 12 . 1 1 75 75 LEU CB C 232 42.000 42.000 43.100 -1.100 18244 5382 1 12 . 1 1 75 75 LEU H H 232 7.847 7.847 7.330 0.517 18244 5383 1 12 . 1 1 76 76 GLN N N 233 118.890 118.890 115.961 2.929 18244 5384 1 12 . 1 1 76 76 GLN HA H 233 4.220 4.220 4.612 -0.392 18244 5385 1 12 . 1 1 76 76 GLN C C 233 179.100 179.100 175.029 4.071 18244 5386 1 12 . 1 1 76 76 GLN CA C 233 56.900 56.900 55.041 1.859 18244 5387 1 12 . 1 1 76 76 GLN CB C 233 29.000 29.000 31.449 -2.449 18244 5388 1 12 . 1 1 76 76 GLN H H 233 8.008 8.008 8.242 -0.234 18244 5389 1 12 . 1 1 77 77 GLN N N 234 119.836 119.836 122.900 -3.064 18244 5390 1 12 . 1 1 77 77 GLN HA H 234 4.263 4.263 4.398 -0.135 18244 5391 1 12 . 1 1 77 77 GLN C C 234 178.700 178.700 176.739 1.961 18244 5392 1 12 . 1 1 77 77 GLN CA C 234 56.700 56.700 56.786 -0.086 18244 5393 1 12 . 1 1 77 77 GLN CB C 234 29.100 29.100 29.390 -0.290 18244 5394 1 12 . 1 1 77 77 GLN H H 234 8.078 8.078 8.788 -0.710 18244 5395 1 12 . 1 1 78 78 GLN N N 235 120.341 120.341 117.050 3.291 18244 5396 1 12 . 1 1 78 78 GLN HA H 235 4.288 4.288 4.544 -0.256 18244 5397 1 12 . 1 1 78 78 GLN C C 235 178.400 178.400 174.523 3.877 18244 5398 1 12 . 1 1 78 78 GLN CA C 235 56.400 56.400 55.487 0.913 18244 5399 1 12 . 1 1 78 78 GLN CB C 235 29.300 29.300 29.684 -0.384 18244 5400 1 12 . 1 1 78 78 GLN H H 235 8.226 8.226 8.371 -0.145 18244 5401 1 12 . 1 1 79 79 GLN N N 236 120.708 120.708 120.003 0.705 18244 5402 1 12 . 1 1 79 79 GLN HA H 236 4.316 4.316 4.492 -0.176 18244 5403 1 12 . 1 1 79 79 GLN C C 236 177.800 177.800 174.800 3.000 18244 5404 1 12 . 1 1 79 79 GLN CA C 236 55.900 55.900 55.202 0.698 18244 5405 1 12 . 1 1 79 79 GLN CB C 236 29.500 29.500 29.844 -0.344 18244 5406 1 12 . 1 1 79 79 GLN H H 236 8.253 8.253 7.735 0.518 18244 5407 1 12 . 1 1 80 80 ALA N N 237 125.698 125.698 128.093 -2.395 18244 5408 1 12 . 1 1 80 80 ALA HA H 237 4.336 4.336 4.374 -0.038 18244 5409 1 12 . 1 1 80 80 ALA C C 237 179.000 179.000 177.325 1.675 18244 5410 1 12 . 1 1 80 80 ALA CA C 237 52.800 52.800 52.391 0.409 18244 5411 1 12 . 1 1 80 80 ALA CB C 237 19.300 19.300 19.477 -0.177 18244 5412 1 12 . 1 1 80 80 ALA H H 237 8.237 8.237 8.516 -0.279 18244 5413 1 13 . 1 1 2 2 ARG HA H 159 4.353 4.353 4.095 0.258 18244 5414 1 13 . 1 1 2 2 ARG C C 159 178.200 178.200 177.575 0.625 18244 5415 1 13 . 1 1 2 2 ARG CA C 159 56.300 56.300 58.229 -1.929 18244 5416 1 13 . 1 1 2 2 ARG CB C 159 30.900 30.900 30.626 0.274 18244 5417 1 13 . 1 1 3 3 ARG N N 160 123.623 123.623 116.967 6.656 18244 5418 1 13 . 1 1 3 3 ARG HA H 160 4.306 4.306 4.529 -0.223 18244 5419 1 13 . 1 1 3 3 ARG C C 160 178.000 178.000 176.916 1.084 18244 5420 1 13 . 1 1 3 3 ARG CA C 160 56.100 56.100 56.084 0.016 18244 5421 1 13 . 1 1 3 3 ARG CB C 160 31.000 31.000 30.900 0.100 18244 5422 1 13 . 1 1 3 3 ARG H H 160 8.558 8.558 8.510 0.048 18244 5423 1 13 . 1 1 4 4 GLN N N 161 122.962 122.962 119.716 3.246 18244 5424 1 13 . 1 1 4 4 GLN HA H 161 4.355 4.355 4.273 0.082 18244 5425 1 13 . 1 1 4 4 GLN C C 161 177.900 177.900 175.562 2.338 18244 5426 1 13 . 1 1 4 4 GLN CA C 161 55.500 55.500 55.334 0.166 18244 5427 1 13 . 1 1 4 4 GLN CB C 161 29.600 29.600 28.731 0.869 18244 5428 1 13 . 1 1 4 4 GLN H H 161 8.515 8.515 8.070 0.445 18244 5429 1 13 . 1 1 5 5 LEU N N 162 124.755 124.755 127.714 -2.959 18244 5430 1 13 . 1 1 5 5 LEU HA H 162 4.577 4.577 4.517 0.060 18244 5431 1 13 . 1 1 5 5 LEU C C 162 180.500 180.500 177.279 3.221 18244 5432 1 13 . 1 1 5 5 LEU CA C 162 54.700 54.700 54.974 -0.274 18244 5433 1 13 . 1 1 5 5 LEU CB C 162 42.900 42.900 42.756 0.144 18244 5434 1 13 . 1 1 5 5 LEU H H 162 8.480 8.480 8.410 0.070 18244 5435 1 13 . 1 1 6 6 THR N N 163 114.727 114.727 108.108 6.619 18244 5436 1 13 . 1 1 6 6 THR HA H 163 4.596 4.596 4.767 -0.171 18244 5437 1 13 . 1 1 6 6 THR CA C 163 60.200 60.200 58.599 1.601 18244 5438 1 13 . 1 1 6 6 THR CB C 163 68.200 68.200 70.342 -2.142 18244 5439 1 13 . 1 1 6 6 THR H H 163 8.623 8.623 7.847 0.776 18244 5440 1 13 . 1 1 7 7 PRO HA H 164 4.263 4.263 4.137 0.126 18244 5441 1 13 . 1 1 7 7 PRO C C 164 181.600 181.600 178.647 2.953 18244 5442 1 13 . 1 1 7 7 PRO CA C 164 65.900 65.900 65.565 0.335 18244 5443 1 13 . 1 1 7 7 PRO CB C 164 31.600 31.600 32.187 -0.587 18244 5444 1 13 . 1 1 8 8 GLN N N 165 116.429 116.429 117.154 -0.725 18244 5445 1 13 . 1 1 8 8 GLN HA H 165 4.063 4.063 4.015 0.048 18244 5446 1 13 . 1 1 8 8 GLN C C 165 181.300 181.300 178.406 2.894 18244 5447 1 13 . 1 1 8 8 GLN CA C 165 59.500 59.500 59.424 0.076 18244 5448 1 13 . 1 1 8 8 GLN CB C 165 28.300 28.300 28.231 0.069 18244 5449 1 13 . 1 1 8 8 GLN H H 165 8.439 8.439 8.649 -0.210 18244 5450 1 13 . 1 1 9 9 GLN N N 166 120.164 120.164 118.679 1.485 18244 5451 1 13 . 1 1 9 9 GLN HA H 166 3.948 3.948 4.100 -0.152 18244 5452 1 13 . 1 1 9 9 GLN C C 166 180.600 180.600 178.541 2.059 18244 5453 1 13 . 1 1 9 9 GLN CA C 166 58.700 58.700 58.662 0.038 18244 5454 1 13 . 1 1 9 9 GLN CB C 166 29.300 29.300 28.401 0.899 18244 5455 1 13 . 1 1 9 9 GLN H H 166 7.760 7.760 7.857 -0.097 18244 5456 1 13 . 1 1 10 10 GLN N N 167 119.164 119.164 120.105 -0.941 18244 5457 1 13 . 1 1 10 10 GLN HA H 167 3.860 3.860 3.968 -0.108 18244 5458 1 13 . 1 1 10 10 GLN C C 167 180.300 180.300 178.817 1.483 18244 5459 1 13 . 1 1 10 10 GLN CA C 167 58.600 58.600 59.229 -0.629 18244 5460 1 13 . 1 1 10 10 GLN CB C 167 29.000 29.000 28.573 0.427 18244 5461 1 13 . 1 1 10 10 GLN H H 167 8.787 8.787 8.399 0.388 18244 5462 1 13 . 1 1 11 11 GLN N N 168 118.139 118.139 117.116 1.023 18244 5463 1 13 . 1 1 11 11 GLN HA H 168 4.111 4.111 4.159 -0.048 18244 5464 1 13 . 1 1 11 11 GLN C C 168 180.600 180.600 178.508 2.092 18244 5465 1 13 . 1 1 11 11 GLN CA C 168 58.900 58.900 57.846 1.054 18244 5466 1 13 . 1 1 11 11 GLN CB C 168 28.500 28.500 28.382 0.118 18244 5467 1 13 . 1 1 11 11 GLN H H 168 7.987 7.987 8.134 -0.147 18244 5468 1 13 . 1 1 12 12 LEU N N 169 120.649 120.649 119.593 1.056 18244 5469 1 13 . 1 1 12 12 LEU HA H 169 4.138 4.138 4.224 -0.086 18244 5470 1 13 . 1 1 12 12 LEU C C 169 181.300 181.300 178.874 2.426 18244 5471 1 13 . 1 1 12 12 LEU CA C 169 58.100 58.100 57.413 0.687 18244 5472 1 13 . 1 1 12 12 LEU CB C 169 41.600 41.600 42.453 -0.854 18244 5473 1 13 . 1 1 12 12 LEU H H 169 7.457 7.457 7.386 0.071 18244 5474 1 13 . 1 1 13 13 VAL N N 170 119.772 119.772 115.690 4.082 18244 5475 1 13 . 1 1 13 13 VAL HA H 170 3.570 3.570 3.784 -0.214 18244 5476 1 13 . 1 1 13 13 VAL C C 170 180.700 180.700 177.973 2.727 18244 5477 1 13 . 1 1 13 13 VAL CA C 170 66.700 66.700 65.498 1.202 18244 5478 1 13 . 1 1 13 13 VAL CB C 170 31.700 31.700 31.178 0.522 18244 5479 1 13 . 1 1 13 13 VAL H H 170 8.101 8.101 8.408 -0.307 18244 5480 1 13 . 1 1 14 14 ASN N N 171 118.278 118.278 118.697 -0.419 18244 5481 1 13 . 1 1 14 14 ASN HA H 171 4.454 4.454 4.523 -0.069 18244 5482 1 13 . 1 1 14 14 ASN C C 171 180.800 180.800 176.965 3.835 18244 5483 1 13 . 1 1 14 14 ASN CA C 171 56.000 56.000 56.096 -0.096 18244 5484 1 13 . 1 1 14 14 ASN CB C 171 37.600 37.600 38.638 -1.038 18244 5485 1 13 . 1 1 14 14 ASN H H 171 8.253 8.253 8.170 0.083 18244 5486 1 13 . 1 1 15 15 GLN N N 172 120.079 120.079 117.742 2.337 18244 5487 1 13 . 1 1 15 15 GLN HA H 172 4.152 4.152 4.216 -0.064 18244 5488 1 13 . 1 1 15 15 GLN C C 172 181.100 181.100 176.733 4.367 18244 5489 1 13 . 1 1 15 15 GLN CA C 172 58.600 58.600 57.886 0.714 18244 5490 1 13 . 1 1 15 15 GLN CB C 172 28.800 28.800 28.713 0.087 18244 5491 1 13 . 1 1 15 15 GLN H H 172 8.112 8.112 7.822 0.290 18244 5492 1 13 . 1 1 16 16 MET N N 173 118.323 118.323 115.317 3.006 18244 5493 1 13 . 1 1 16 16 MET HA H 173 4.266 4.266 4.396 -0.130 18244 5494 1 13 . 1 1 16 16 MET C C 173 180.300 180.300 176.132 4.168 18244 5495 1 13 . 1 1 16 16 MET CA C 173 57.300 57.300 54.803 2.497 18244 5496 1 13 . 1 1 16 16 MET CB C 173 31.400 31.400 31.250 0.150 18244 5497 1 13 . 1 1 16 16 MET H H 173 8.371 8.371 7.515 0.856 18244 5498 1 13 . 1 1 17 17 LYS N N 174 117.179 117.179 120.903 -3.724 18244 5499 1 13 . 1 1 17 17 LYS HA H 174 4.450 4.450 4.449 0.001 18244 5500 1 13 . 1 1 17 17 LYS C C 174 178.400 178.400 177.011 1.389 18244 5501 1 13 . 1 1 17 17 LYS CA C 174 55.800 55.800 57.695 -1.895 18244 5502 1 13 . 1 1 17 17 LYS CB C 174 33.600 33.600 35.367 -1.767 18244 5503 1 13 . 1 1 17 17 LYS H H 174 7.798 7.798 7.585 0.213 18244 5504 1 13 . 1 1 18 18 VAL N N 175 135.773 135.773 121.344 14.429 18244 5505 1 13 . 1 1 18 18 VAL HA H 175 4.674 4.674 4.280 0.394 18244 5506 1 13 . 1 1 18 18 VAL C C 175 177.700 177.700 174.130 3.570 18244 5507 1 13 . 1 1 18 18 VAL CA C 175 60.100 60.100 61.553 -1.453 18244 5508 1 13 . 1 1 18 18 VAL CB C 175 33.200 33.200 30.887 2.313 18244 5509 1 13 . 1 1 18 18 VAL H H 175 6.894 6.894 8.325 -1.431 18244 5510 1 13 . 1 1 19 19 ALA N N 176 127.267 127.267 128.954 -1.687 18244 5511 1 13 . 1 1 19 19 ALA HA H 176 4.653 4.653 4.889 -0.236 18244 5512 1 13 . 1 1 19 19 ALA CA C 176 50.200 50.200 50.346 -0.146 18244 5513 1 13 . 1 1 19 19 ALA CB C 176 18.800 18.800 20.879 -2.079 18244 5514 1 13 . 1 1 19 19 ALA H H 176 7.508 7.508 7.826 -0.318 18244 5515 1 13 . 1 1 20 20 PRO HA H 177 4.439 4.439 4.899 -0.460 18244 5516 1 13 . 1 1 20 20 PRO C C 177 179.700 179.700 175.320 4.380 18244 5517 1 13 . 1 1 20 20 PRO CA C 177 62.900 62.900 62.280 0.620 18244 5518 1 13 . 1 1 20 20 PRO CB C 177 31.400 31.400 32.943 -1.543 18244 5519 1 13 . 1 1 21 21 ILE N N 178 128.957 128.957 119.435 9.522 18244 5520 1 13 . 1 1 21 21 ILE HA H 178 3.571 3.571 3.829 -0.258 18244 5521 1 13 . 1 1 21 21 ILE CA C 178 59.700 59.700 58.272 1.429 18244 5522 1 13 . 1 1 21 21 ILE CB C 178 39.300 39.300 37.905 1.395 18244 5523 1 13 . 1 1 21 21 ILE H H 178 8.659 8.659 7.738 0.921 18244 5524 1 13 . 1 1 22 22 PRO HA H 179 4.298 4.298 4.370 -0.072 18244 5525 1 13 . 1 1 22 22 PRO C C 179 180.600 180.600 176.995 3.605 18244 5526 1 13 . 1 1 22 22 PRO CA C 179 62.900 62.900 62.418 0.482 18244 5527 1 13 . 1 1 22 22 PRO CB C 179 32.600 32.600 32.428 0.172 18244 5528 1 13 . 1 1 23 23 LYS N N 180 126.052 126.052 122.796 3.256 18244 5529 1 13 . 1 1 23 23 LYS HA H 180 3.848 3.848 3.851 -0.003 18244 5530 1 13 . 1 1 23 23 LYS C C 180 180.300 180.300 178.868 1.432 18244 5531 1 13 . 1 1 23 23 LYS CA C 180 60.200 60.200 60.682 -0.482 18244 5532 1 13 . 1 1 23 23 LYS CB C 180 32.400 32.400 32.154 0.246 18244 5533 1 13 . 1 1 23 23 LYS H H 180 8.871 8.871 8.556 0.315 18244 5534 1 13 . 1 1 24 24 GLN N N 181 115.658 115.658 115.976 -0.318 18244 5535 1 13 . 1 1 24 24 GLN HA H 181 4.102 4.102 4.048 0.054 18244 5536 1 13 . 1 1 24 24 GLN C C 181 179.000 179.000 177.161 1.839 18244 5537 1 13 . 1 1 24 24 GLN CA C 181 58.600 58.600 58.296 0.304 18244 5538 1 13 . 1 1 24 24 GLN CB C 181 27.400 27.400 28.333 -0.933 18244 5539 1 13 . 1 1 24 24 GLN H H 181 9.038 9.038 8.465 0.573 18244 5540 1 13 . 1 1 25 25 LEU N N 182 117.088 117.088 117.590 -0.502 18244 5541 1 13 . 1 1 25 25 LEU HA H 182 4.231 4.231 4.286 -0.055 18244 5542 1 13 . 1 1 25 25 LEU C C 182 180.300 180.300 178.975 1.325 18244 5543 1 13 . 1 1 25 25 LEU CA C 182 56.600 56.600 55.993 0.606 18244 5544 1 13 . 1 1 25 25 LEU CB C 182 40.900 40.900 42.570 -1.670 18244 5545 1 13 . 1 1 25 25 LEU H H 182 7.309 7.309 7.397 -0.088 18244 5546 1 13 . 1 1 26 26 LEU N N 183 120.917 120.917 121.414 -0.497 18244 5547 1 13 . 1 1 26 26 LEU HA H 183 3.699 3.699 3.848 -0.149 18244 5548 1 13 . 1 1 26 26 LEU C C 183 181.300 181.300 179.192 2.108 18244 5549 1 13 . 1 1 26 26 LEU CA C 183 57.900 57.900 57.898 0.002 18244 5550 1 13 . 1 1 26 26 LEU CB C 183 42.400 42.400 41.532 0.868 18244 5551 1 13 . 1 1 26 26 LEU H H 183 7.842 7.842 8.408 -0.566 18244 5552 1 13 . 1 1 27 27 GLN N N 184 112.112 112.112 116.057 -3.945 18244 5553 1 13 . 1 1 27 27 GLN HA H 184 4.082 4.082 4.167 -0.085 18244 5554 1 13 . 1 1 27 27 GLN C C 184 178.800 178.800 177.271 1.529 18244 5555 1 13 . 1 1 27 27 GLN CA C 184 57.300 57.300 57.278 0.022 18244 5556 1 13 . 1 1 27 27 GLN CB C 184 28.500 28.500 27.902 0.598 18244 5557 1 13 . 1 1 27 27 GLN H H 184 7.505 7.505 7.908 -0.403 18244 5558 1 13 . 1 1 28 28 ARG N N 185 116.659 116.659 118.845 -2.186 18244 5559 1 13 . 1 1 28 28 ARG HA H 185 4.187 4.187 4.291 -0.104 18244 5560 1 13 . 1 1 28 28 ARG C C 185 177.900 177.900 176.194 1.706 18244 5561 1 13 . 1 1 28 28 ARG CA C 185 56.600 56.600 57.315 -0.715 18244 5562 1 13 . 1 1 28 28 ARG CB C 185 30.700 30.700 31.343 -0.643 18244 5563 1 13 . 1 1 28 28 ARG H H 185 7.488 7.488 7.393 0.095 18244 5564 1 13 . 1 1 29 29 ILE N N 186 121.078 121.078 121.106 -0.028 18244 5565 1 13 . 1 1 29 29 ILE HA H 186 4.352 4.352 4.325 0.027 18244 5566 1 13 . 1 1 29 29 ILE CA C 186 59.300 59.300 58.992 0.308 18244 5567 1 13 . 1 1 29 29 ILE CB C 186 37.800 37.800 37.892 -0.092 18244 5568 1 13 . 1 1 29 29 ILE H H 186 7.630 7.630 7.389 0.241 18244 5569 1 13 . 1 1 30 30 PRO HA H 187 4.256 4.256 4.717 -0.461 18244 5570 1 13 . 1 1 30 30 PRO C C 187 178.500 178.500 177.097 1.403 18244 5571 1 13 . 1 1 30 30 PRO CA C 187 64.100 64.100 61.928 2.172 18244 5572 1 13 . 1 1 30 30 PRO CB C 187 32.400 32.400 32.699 -0.299 18244 5573 1 13 . 1 1 31 31 ASN N N 188 110.335 110.335 115.583 -5.248 18244 5574 1 13 . 1 1 31 31 ASN HA H 188 4.398 4.398 4.487 -0.089 18244 5575 1 13 . 1 1 31 31 ASN C C 188 177.500 177.500 173.809 3.691 18244 5576 1 13 . 1 1 31 31 ASN CA C 188 54.400 54.400 54.721 -0.320 18244 5577 1 13 . 1 1 31 31 ASN CB C 188 37.700 37.700 38.244 -0.544 18244 5578 1 13 . 1 1 31 31 ASN H H 188 8.464 8.464 8.833 -0.369 18244 5579 1 13 . 1 1 32 32 ILE N N 189 117.608 117.608 115.755 1.853 18244 5580 1 13 . 1 1 32 32 ILE HA H 189 4.416 4.416 4.643 -0.227 18244 5581 1 13 . 1 1 32 32 ILE CA C 189 58.100 58.100 58.467 -0.367 18244 5582 1 13 . 1 1 32 32 ILE CB C 189 38.600 38.600 40.637 -2.037 18244 5583 1 13 . 1 1 32 32 ILE H H 189 7.325 7.325 7.514 -0.189 18244 5584 1 13 . 1 1 33 33 PRO HA H 190 4.749 4.749 4.951 -0.202 18244 5585 1 13 . 1 1 33 33 PRO CA C 190 61.700 61.700 61.317 0.383 18244 5586 1 13 . 1 1 33 33 PRO CB C 190 31.000 31.000 31.265 -0.265 18244 5587 1 13 . 1 1 34 34 PRO HA H 191 4.391 4.391 4.273 0.118 18244 5588 1 13 . 1 1 34 34 PRO C C 191 178.600 178.600 176.838 1.762 18244 5589 1 13 . 1 1 34 34 PRO CA C 191 63.700 63.700 63.703 -0.003 18244 5590 1 13 . 1 1 34 34 PRO CB C 191 32.000 32.000 31.826 0.174 18244 5591 1 13 . 1 1 35 35 ASN N N 192 112.827 112.827 114.519 -1.692 18244 5592 1 13 . 1 1 35 35 ASN HA H 192 4.456 4.456 4.506 -0.050 18244 5593 1 13 . 1 1 35 35 ASN C C 192 176.500 176.500 174.496 2.004 18244 5594 1 13 . 1 1 35 35 ASN CA C 192 53.700 53.700 54.730 -1.030 18244 5595 1 13 . 1 1 35 35 ASN CB C 192 37.300 37.300 37.064 0.236 18244 5596 1 13 . 1 1 35 35 ASN H H 192 8.256 8.256 8.499 -0.243 18244 5597 1 13 . 1 1 36 36 ILE N N 193 119.133 119.133 112.851 6.282 18244 5598 1 13 . 1 1 36 36 ILE HA H 193 4.144 4.144 4.445 -0.301 18244 5599 1 13 . 1 1 36 36 ILE C C 193 177.200 177.200 174.330 2.870 18244 5600 1 13 . 1 1 36 36 ILE CA C 193 59.100 59.100 59.769 -0.669 18244 5601 1 13 . 1 1 36 36 ILE CB C 193 37.000 37.000 40.320 -3.320 18244 5602 1 13 . 1 1 36 36 ILE H H 193 7.166 7.166 7.325 -0.159 18244 5603 1 13 . 1 1 37 37 ASN N N 194 121.068 121.068 119.036 2.032 18244 5604 1 13 . 1 1 37 37 ASN HA H 194 4.667 4.667 4.884 -0.217 18244 5605 1 13 . 1 1 37 37 ASN C C 194 175.600 175.600 173.303 2.297 18244 5606 1 13 . 1 1 37 37 ASN CA C 194 53.400 53.400 52.430 0.970 18244 5607 1 13 . 1 1 37 37 ASN CB C 194 40.400 40.400 39.533 0.867 18244 5608 1 13 . 1 1 37 37 ASN H H 194 8.764 8.764 8.397 0.367 18244 5609 1 13 . 1 1 38 38 THR N N 195 106.795 106.795 112.611 -5.816 18244 5610 1 13 . 1 1 38 38 THR HA H 195 4.924 4.924 4.701 0.223 18244 5611 1 13 . 1 1 38 38 THR C C 195 178.000 178.000 174.166 3.834 18244 5612 1 13 . 1 1 38 38 THR CA C 195 58.800 58.800 61.570 -2.770 18244 5613 1 13 . 1 1 38 38 THR CB C 195 73.500 73.500 70.974 2.526 18244 5614 1 13 . 1 1 38 38 THR H H 195 7.527 7.527 7.562 -0.035 18244 5615 1 13 . 1 1 39 39 TRP N N 196 123.744 123.744 127.632 -3.888 18244 5616 1 13 . 1 1 39 39 TRP HA H 196 4.533 4.533 4.255 0.278 18244 5617 1 13 . 1 1 39 39 TRP C C 196 182.300 182.300 177.708 4.592 18244 5618 1 13 . 1 1 39 39 TRP CA C 196 60.100 60.100 61.685 -1.585 18244 5619 1 13 . 1 1 39 39 TRP CB C 196 29.400 29.400 29.717 -0.317 18244 5620 1 13 . 1 1 39 39 TRP H H 196 10.363 10.363 9.007 1.356 18244 5621 1 13 . 1 1 40 40 GLN N N 197 120.207 120.207 117.712 2.495 18244 5622 1 13 . 1 1 40 40 GLN HA H 197 4.268 4.268 4.005 0.263 18244 5623 1 13 . 1 1 40 40 GLN C C 197 180.900 180.900 178.424 2.476 18244 5624 1 13 . 1 1 40 40 GLN CA C 197 59.500 59.500 59.298 0.202 18244 5625 1 13 . 1 1 40 40 GLN CB C 197 28.500 28.500 28.399 0.101 18244 5626 1 13 . 1 1 40 40 GLN H H 197 8.550 8.550 8.756 -0.206 18244 5627 1 13 . 1 1 41 41 GLN N N 198 118.163 118.163 117.766 0.397 18244 5628 1 13 . 1 1 41 41 GLN HA H 198 4.191 4.191 4.264 -0.073 18244 5629 1 13 . 1 1 41 41 GLN C C 198 181.500 181.500 178.653 2.847 18244 5630 1 13 . 1 1 41 41 GLN CA C 198 58.500 58.500 57.471 1.029 18244 5631 1 13 . 1 1 41 41 GLN CB C 198 30.400 30.400 28.907 1.493 18244 5632 1 13 . 1 1 41 41 GLN H H 198 7.594 7.594 7.747 -0.152 18244 5633 1 13 . 1 1 42 42 VAL N N 199 121.112 121.112 120.472 0.640 18244 5634 1 13 . 1 1 42 42 VAL HA H 199 3.479 3.479 3.611 -0.132 18244 5635 1 13 . 1 1 42 42 VAL C C 199 180.000 180.000 177.913 2.087 18244 5636 1 13 . 1 1 42 42 VAL CA C 199 67.500 67.500 66.368 1.132 18244 5637 1 13 . 1 1 42 42 VAL CB C 199 32.000 32.000 31.542 0.458 18244 5638 1 13 . 1 1 42 42 VAL H H 199 8.116 8.116 8.308 -0.192 18244 5639 1 13 . 1 1 43 43 THR N N 200 113.870 113.870 111.929 1.941 18244 5640 1 13 . 1 1 43 43 THR HA H 200 3.904 3.904 4.180 -0.276 18244 5641 1 13 . 1 1 43 43 THR C C 200 178.900 178.900 176.099 2.801 18244 5642 1 13 . 1 1 43 43 THR CA C 200 67.000 67.000 65.593 1.407 18244 5643 1 13 . 1 1 43 43 THR CB C 200 68.500 68.500 68.753 -0.253 18244 5644 1 13 . 1 1 43 43 THR H H 200 8.726 8.726 8.136 0.590 18244 5645 1 13 . 1 1 44 44 ALA N N 201 124.369 124.369 123.410 0.959 18244 5646 1 13 . 1 1 44 44 ALA HA H 201 4.280 4.280 4.260 0.020 18244 5647 1 13 . 1 1 44 44 ALA C C 201 182.700 182.700 178.841 3.859 18244 5648 1 13 . 1 1 44 44 ALA CA C 201 55.500 55.500 54.396 1.104 18244 5649 1 13 . 1 1 44 44 ALA CB C 201 17.900 17.900 18.437 -0.537 18244 5650 1 13 . 1 1 44 44 ALA H H 201 7.539 7.539 7.665 -0.126 18244 5651 1 13 . 1 1 45 45 LEU N N 202 117.896 117.896 117.435 0.461 18244 5652 1 13 . 1 1 45 45 LEU HA H 202 4.068 4.068 4.096 -0.028 18244 5653 1 13 . 1 1 45 45 LEU C C 202 182.200 182.200 179.246 2.954 18244 5654 1 13 . 1 1 45 45 LEU CA C 202 58.100 58.100 57.022 1.078 18244 5655 1 13 . 1 1 45 45 LEU CB C 202 41.800 41.800 41.613 0.187 18244 5656 1 13 . 1 1 45 45 LEU H H 202 7.716 7.716 7.514 0.202 18244 5657 1 13 . 1 1 46 46 ALA N N 203 121.746 121.746 121.655 0.091 18244 5658 1 13 . 1 1 46 46 ALA HA H 203 4.184 4.184 4.140 0.044 18244 5659 1 13 . 1 1 46 46 ALA C C 203 184.300 184.300 179.567 4.733 18244 5660 1 13 . 1 1 46 46 ALA CA C 203 55.400 55.400 54.477 0.923 18244 5661 1 13 . 1 1 46 46 ALA CB C 203 18.100 18.100 18.357 -0.257 18244 5662 1 13 . 1 1 46 46 ALA H H 203 8.117 8.117 7.596 0.521 18244 5663 1 13 . 1 1 47 47 GLN N N 204 120.247 120.247 117.671 2.576 18244 5664 1 13 . 1 1 47 47 GLN HA H 204 4.088 4.088 4.101 -0.013 18244 5665 1 13 . 1 1 47 47 GLN C C 204 180.100 180.100 177.406 2.694 18244 5666 1 13 . 1 1 47 47 GLN CA C 204 58.900 58.900 57.781 1.119 18244 5667 1 13 . 1 1 47 47 GLN CB C 204 28.500 28.500 28.535 -0.035 18244 5668 1 13 . 1 1 47 47 GLN H H 204 8.515 8.515 7.677 0.838 18244 5669 1 13 . 1 1 48 48 GLN N N 205 116.167 116.167 117.849 -1.682 18244 5670 1 13 . 1 1 48 48 GLN HA H 205 4.290 4.290 4.340 -0.050 18244 5671 1 13 . 1 1 48 48 GLN C C 205 176.700 176.700 175.032 1.668 18244 5672 1 13 . 1 1 48 48 GLN CA C 205 55.900 55.900 54.894 1.006 18244 5673 1 13 . 1 1 48 48 GLN CB C 205 30.000 30.000 28.093 1.907 18244 5674 1 13 . 1 1 48 48 GLN H H 205 7.534 7.534 7.397 0.137 18244 5675 1 13 . 1 1 49 49 LYS N N 206 113.354 113.354 116.057 -2.703 18244 5676 1 13 . 1 1 49 49 LYS HA H 206 4.118 4.118 3.942 0.176 18244 5677 1 13 . 1 1 49 49 LYS C C 206 178.700 178.700 175.871 2.829 18244 5678 1 13 . 1 1 49 49 LYS CA C 206 57.500 57.500 57.539 -0.039 18244 5679 1 13 . 1 1 49 49 LYS CB C 206 28.300 28.300 29.603 -1.303 18244 5680 1 13 . 1 1 49 49 LYS H H 206 7.957 7.957 7.875 0.082 18244 5681 1 13 . 1 1 50 50 LEU N N 207 116.944 116.944 117.676 -0.732 18244 5682 1 13 . 1 1 50 50 LEU HA H 207 4.423 4.423 4.409 0.014 18244 5683 1 13 . 1 1 50 50 LEU C C 207 180.000 180.000 175.921 4.079 18244 5684 1 13 . 1 1 50 50 LEU CA C 207 55.300 55.300 54.160 1.140 18244 5685 1 13 . 1 1 50 50 LEU CB C 207 42.500 42.500 42.933 -0.433 18244 5686 1 13 . 1 1 50 50 LEU H H 207 8.016 8.016 7.803 0.213 18244 5687 1 13 . 1 1 51 51 LEU N N 208 117.793 117.793 121.476 -3.683 18244 5688 1 13 . 1 1 51 51 LEU HA H 208 4.922 4.922 4.619 0.303 18244 5689 1 13 . 1 1 51 51 LEU C C 208 179.000 179.000 176.291 2.709 18244 5690 1 13 . 1 1 51 51 LEU CA C 208 53.400 53.400 53.798 -0.398 18244 5691 1 13 . 1 1 51 51 LEU CB C 208 44.500 44.500 43.899 0.601 18244 5692 1 13 . 1 1 51 51 LEU H H 208 7.109 7.109 7.961 -0.852 18244 5693 1 13 . 1 1 52 52 THR N N 209 115.695 115.695 120.944 -5.249 18244 5694 1 13 . 1 1 52 52 THR HA H 209 4.623 4.623 4.727 -0.104 18244 5695 1 13 . 1 1 52 52 THR CA C 209 60.700 60.700 59.712 0.988 18244 5696 1 13 . 1 1 52 52 THR CB C 209 69.000 69.000 68.359 0.641 18244 5697 1 13 . 1 1 52 52 THR H H 209 9.460 9.460 8.153 1.307 18244 5698 1 13 . 1 1 53 53 PRO HA H 210 4.275 4.275 4.088 0.187 18244 5699 1 13 . 1 1 53 53 PRO C C 210 181.700 181.700 178.594 3.106 18244 5700 1 13 . 1 1 53 53 PRO CA C 210 66.000 66.000 66.021 -0.021 18244 5701 1 13 . 1 1 53 53 PRO CB C 210 31.600 31.600 31.868 -0.268 18244 5702 1 13 . 1 1 54 54 GLN N N 211 116.837 116.837 115.120 1.717 18244 5703 1 13 . 1 1 54 54 GLN HA H 211 4.119 4.119 4.060 0.059 18244 5704 1 13 . 1 1 54 54 GLN C C 211 181.500 181.500 178.045 3.455 18244 5705 1 13 . 1 1 54 54 GLN CA C 211 59.800 59.800 58.810 0.990 18244 5706 1 13 . 1 1 54 54 GLN CB C 211 28.100 28.100 27.930 0.170 18244 5707 1 13 . 1 1 54 54 GLN H H 211 8.229 8.229 8.836 -0.607 18244 5708 1 13 . 1 1 55 55 ASP N N 212 123.621 123.621 119.831 3.790 18244 5709 1 13 . 1 1 55 55 ASP HA H 212 4.353 4.353 4.581 -0.228 18244 5710 1 13 . 1 1 55 55 ASP C C 212 181.100 181.100 178.054 3.046 18244 5711 1 13 . 1 1 55 55 ASP CA C 212 57.900 57.900 56.088 1.812 18244 5712 1 13 . 1 1 55 55 ASP CB C 212 41.700 41.700 41.145 0.555 18244 5713 1 13 . 1 1 55 55 ASP H H 212 7.957 7.957 7.970 -0.013 18244 5714 1 13 . 1 1 56 56 MET N N 213 117.263 117.263 120.101 -2.838 18244 5715 1 13 . 1 1 56 56 MET HA H 213 4.380 4.380 4.059 0.321 18244 5716 1 13 . 1 1 56 56 MET C C 213 181.000 181.000 178.527 2.473 18244 5717 1 13 . 1 1 56 56 MET CA C 213 57.100 57.100 59.864 -2.764 18244 5718 1 13 . 1 1 56 56 MET CB C 213 31.200 31.200 32.678 -1.478 18244 5719 1 13 . 1 1 56 56 MET H H 213 8.314 8.314 8.207 0.107 18244 5720 1 13 . 1 1 57 57 GLU N N 214 120.570 120.570 117.517 3.053 18244 5721 1 13 . 1 1 57 57 GLU HA H 214 4.085 4.085 4.109 -0.024 18244 5722 1 13 . 1 1 57 57 GLU C C 214 181.700 181.700 178.794 2.906 18244 5723 1 13 . 1 1 57 57 GLU CA C 214 59.500 59.500 58.734 0.766 18244 5724 1 13 . 1 1 57 57 GLU CB C 214 29.300 29.300 28.647 0.653 18244 5725 1 13 . 1 1 57 57 GLU H H 214 8.039 8.039 7.900 0.139 18244 5726 1 13 . 1 1 58 58 ALA N N 215 121.915 121.915 121.756 0.159 18244 5727 1 13 . 1 1 58 58 ALA HA H 215 4.361 4.361 4.184 0.177 18244 5728 1 13 . 1 1 58 58 ALA C C 215 182.800 182.800 179.604 3.196 18244 5729 1 13 . 1 1 58 58 ALA CA C 215 55.100 55.100 54.838 0.262 18244 5730 1 13 . 1 1 58 58 ALA CB C 215 18.500 18.500 18.170 0.330 18244 5731 1 13 . 1 1 58 58 ALA H H 215 7.571 7.571 7.420 0.151 18244 5732 1 13 . 1 1 59 59 ALA N N 216 120.749 120.749 120.688 0.061 18244 5733 1 13 . 1 1 59 59 ALA HA H 216 4.137 4.137 4.044 0.093 18244 5734 1 13 . 1 1 59 59 ALA C C 216 180.800 180.800 178.825 1.975 18244 5735 1 13 . 1 1 59 59 ALA CA C 216 55.700 55.700 54.722 0.978 18244 5736 1 13 . 1 1 59 59 ALA CB C 216 18.100 18.100 18.380 -0.280 18244 5737 1 13 . 1 1 59 59 ALA H H 216 8.728 8.728 8.162 0.566 18244 5738 1 13 . 1 1 60 60 LYS N N 217 117.415 117.415 118.400 -0.985 18244 5739 1 13 . 1 1 60 60 LYS HA H 217 3.700 3.700 4.016 -0.316 18244 5740 1 13 . 1 1 60 60 LYS C C 217 181.300 181.300 178.875 2.425 18244 5741 1 13 . 1 1 60 60 LYS CA C 217 60.200 60.200 59.653 0.547 18244 5742 1 13 . 1 1 60 60 LYS CB C 217 32.600 32.600 32.374 0.226 18244 5743 1 13 . 1 1 60 60 LYS H H 217 8.292 8.292 7.845 0.447 18244 5744 1 13 . 1 1 61 61 GLN N N 218 118.499 118.499 118.074 0.425 18244 5745 1 13 . 1 1 61 61 GLN HA H 218 4.171 4.171 4.147 0.024 18244 5746 1 13 . 1 1 61 61 GLN C C 218 181.500 181.500 178.414 3.086 18244 5747 1 13 . 1 1 61 61 GLN CA C 218 59.200 59.200 58.727 0.473 18244 5748 1 13 . 1 1 61 61 GLN CB C 218 29.400 29.400 28.739 0.661 18244 5749 1 13 . 1 1 61 61 GLN H H 218 7.401 7.401 7.529 -0.128 18244 5750 1 13 . 1 1 62 62 VAL N N 219 119.685 119.685 120.811 -1.126 18244 5751 1 13 . 1 1 62 62 VAL HA H 219 3.746 3.746 3.624 0.122 18244 5752 1 13 . 1 1 62 62 VAL C C 219 179.400 179.400 177.876 1.524 18244 5753 1 13 . 1 1 62 62 VAL CA C 219 66.800 66.800 66.778 0.022 18244 5754 1 13 . 1 1 62 62 VAL CB C 219 31.900 31.900 31.656 0.244 18244 5755 1 13 . 1 1 62 62 VAL H H 219 8.036 8.036 7.533 0.503 18244 5756 1 13 . 1 1 63 63 TYR N N 220 123.794 123.794 120.218 3.576 18244 5757 1 13 . 1 1 63 63 TYR HA H 220 3.725 3.725 4.398 -0.673 18244 5758 1 13 . 1 1 63 63 TYR C C 220 179.300 179.300 177.734 1.566 18244 5759 1 13 . 1 1 63 63 TYR CA C 220 62.200 62.200 62.181 0.019 18244 5760 1 13 . 1 1 63 63 TYR CB C 220 38.000 38.000 38.566 -0.566 18244 5761 1 13 . 1 1 63 63 TYR H H 220 8.802 8.802 8.019 0.783 18244 5762 1 13 . 1 1 64 64 LYS N N 221 117.772 117.772 119.125 -1.353 18244 5763 1 13 . 1 1 64 64 LYS HA H 221 3.864 3.864 4.130 -0.266 18244 5764 1 13 . 1 1 64 64 LYS C C 221 181.700 181.700 179.004 2.696 18244 5765 1 13 . 1 1 64 64 LYS CA C 221 59.800 59.800 58.686 1.114 18244 5766 1 13 . 1 1 64 64 LYS CB C 221 32.200 32.200 31.821 0.379 18244 5767 1 13 . 1 1 64 64 LYS H H 221 7.452 7.452 7.693 -0.241 18244 5768 1 13 . 1 1 65 65 ILE N N 222 119.985 119.985 119.769 0.216 18244 5769 1 13 . 1 1 65 65 ILE HA H 222 3.757 3.757 3.748 0.009 18244 5770 1 13 . 1 1 65 65 ILE C C 222 180.700 180.700 177.201 3.499 18244 5771 1 13 . 1 1 65 65 ILE CA C 222 65.000 65.000 64.892 0.108 18244 5772 1 13 . 1 1 65 65 ILE CB C 222 38.200 38.200 37.885 0.316 18244 5773 1 13 . 1 1 65 65 ILE H H 222 7.673 7.673 7.964 -0.291 18244 5774 1 13 . 1 1 66 66 HIS N N 223 121.506 121.506 120.191 1.315 18244 5775 1 13 . 1 1 66 66 HIS HA H 223 4.343 4.343 4.074 0.269 18244 5776 1 13 . 1 1 66 66 HIS C C 223 179.400 179.400 177.330 2.070 18244 5777 1 13 . 1 1 66 66 HIS CA C 223 57.500 57.500 59.880 -2.380 18244 5778 1 13 . 1 1 66 66 HIS CB C 223 32.800 32.800 30.409 2.391 18244 5779 1 13 . 1 1 66 66 HIS H H 223 8.943 8.943 8.442 0.501 18244 5780 1 13 . 1 1 67 67 GLN N N 224 117.421 117.421 117.491 -0.070 18244 5781 1 13 . 1 1 67 67 GLN HA H 224 3.720 3.720 3.861 -0.141 18244 5782 1 13 . 1 1 67 67 GLN C C 224 180.200 180.200 178.396 1.804 18244 5783 1 13 . 1 1 67 67 GLN CA C 224 59.800 59.800 58.775 1.025 18244 5784 1 13 . 1 1 67 67 GLN CB C 224 29.500 29.500 28.143 1.357 18244 5785 1 13 . 1 1 67 67 GLN H H 224 8.526 8.526 7.792 0.734 18244 5786 1 13 . 1 1 68 68 GLN N N 225 117.385 117.385 119.658 -2.273 18244 5787 1 13 . 1 1 68 68 GLN HA H 225 4.017 4.017 4.141 -0.124 18244 5788 1 13 . 1 1 68 68 GLN C C 225 181.100 181.100 178.777 2.323 18244 5789 1 13 . 1 1 68 68 GLN CA C 225 59.200 59.200 58.623 0.577 18244 5790 1 13 . 1 1 68 68 GLN CB C 225 28.400 28.400 28.413 -0.013 18244 5791 1 13 . 1 1 68 68 GLN H H 225 7.673 7.673 7.506 0.167 18244 5792 1 13 . 1 1 69 69 LEU N N 226 120.608 120.608 120.593 0.015 18244 5793 1 13 . 1 1 69 69 LEU HA H 226 4.126 4.126 4.080 0.046 18244 5794 1 13 . 1 1 69 69 LEU C C 226 182.700 182.700 179.040 3.660 18244 5795 1 13 . 1 1 69 69 LEU CA C 226 58.200 58.200 57.857 0.343 18244 5796 1 13 . 1 1 69 69 LEU CB C 226 42.000 42.000 41.801 0.199 18244 5797 1 13 . 1 1 69 69 LEU H H 226 8.227 8.227 7.758 0.469 18244 5798 1 13 . 1 1 70 70 LEU N N 227 120.607 120.607 119.545 1.062 18244 5799 1 13 . 1 1 70 70 LEU HA H 227 4.108 4.108 3.919 0.189 18244 5800 1 13 . 1 1 70 70 LEU C C 227 181.900 181.900 179.362 2.538 18244 5801 1 13 . 1 1 70 70 LEU CA C 227 57.700 57.700 57.888 -0.188 18244 5802 1 13 . 1 1 70 70 LEU CB C 227 41.900 41.900 41.519 0.381 18244 5803 1 13 . 1 1 70 70 LEU H H 227 8.273 8.273 8.191 0.082 18244 5804 1 13 . 1 1 71 71 PHE N N 228 119.975 119.975 119.206 0.769 18244 5805 1 13 . 1 1 71 71 PHE HA H 228 4.315 4.315 4.040 0.275 18244 5806 1 13 . 1 1 71 71 PHE C C 228 180.100 180.100 177.342 2.758 18244 5807 1 13 . 1 1 71 71 PHE CA C 228 60.200 60.200 61.574 -1.374 18244 5808 1 13 . 1 1 71 71 PHE CB C 228 39.000 39.000 39.158 -0.158 18244 5809 1 13 . 1 1 71 71 PHE H H 228 8.469 8.469 7.940 0.529 18244 5810 1 13 . 1 1 72 72 LYS N N 229 119.148 119.148 118.613 0.535 18244 5811 1 13 . 1 1 72 72 LYS HA H 229 4.012 4.012 3.882 0.130 18244 5812 1 13 . 1 1 72 72 LYS C C 229 180.400 180.400 178.564 1.836 18244 5813 1 13 . 1 1 72 72 LYS CA C 229 58.800 58.800 59.386 -0.586 18244 5814 1 13 . 1 1 72 72 LYS CB C 229 32.300 32.300 32.423 -0.123 18244 5815 1 13 . 1 1 72 72 LYS H H 229 8.143 8.143 7.782 0.361 18244 5816 1 13 . 1 1 73 73 ALA N N 230 121.483 121.483 120.599 0.884 18244 5817 1 13 . 1 1 73 73 ALA HA H 230 4.224 4.224 4.423 -0.199 18244 5818 1 13 . 1 1 73 73 ALA C C 230 181.600 181.600 178.497 3.103 18244 5819 1 13 . 1 1 73 73 ALA CA C 230 54.200 54.200 54.133 0.067 18244 5820 1 13 . 1 1 73 73 ALA CB C 230 18.500 18.500 18.654 -0.153 18244 5821 1 13 . 1 1 73 73 ALA H H 230 7.886 7.886 7.963 -0.077 18244 5822 1 13 . 1 1 74 74 ARG N N 231 118.073 118.073 116.605 1.468 18244 5823 1 13 . 1 1 74 74 ARG HA H 231 4.189 4.189 4.055 0.134 18244 5824 1 13 . 1 1 74 74 ARG C C 231 179.900 179.900 177.436 2.464 18244 5825 1 13 . 1 1 74 74 ARG CA C 231 57.600 57.600 57.645 -0.045 18244 5826 1 13 . 1 1 74 74 ARG CB C 231 30.100 30.100 30.195 -0.095 18244 5827 1 13 . 1 1 74 74 ARG H H 231 7.849 7.849 7.472 0.377 18244 5828 1 13 . 1 1 75 75 LEU N N 232 120.575 120.575 118.441 2.134 18244 5829 1 13 . 1 1 75 75 LEU HA H 232 4.181 4.181 4.186 -0.005 18244 5830 1 13 . 1 1 75 75 LEU C C 232 180.600 180.600 177.512 3.088 18244 5831 1 13 . 1 1 75 75 LEU CA C 232 56.400 56.400 55.827 0.573 18244 5832 1 13 . 1 1 75 75 LEU CB C 232 42.000 42.000 42.847 -0.847 18244 5833 1 13 . 1 1 75 75 LEU H H 232 7.847 7.847 7.268 0.579 18244 5834 1 13 . 1 1 76 76 GLN N N 233 118.890 118.890 115.007 3.883 18244 5835 1 13 . 1 1 76 76 GLN HA H 233 4.220 4.220 4.525 -0.305 18244 5836 1 13 . 1 1 76 76 GLN C C 233 179.100 179.100 174.743 4.357 18244 5837 1 13 . 1 1 76 76 GLN CA C 233 56.900 56.900 55.157 1.744 18244 5838 1 13 . 1 1 76 76 GLN CB C 233 29.000 29.000 32.492 -3.492 18244 5839 1 13 . 1 1 76 76 GLN H H 233 8.008 8.008 7.875 0.133 18244 5840 1 13 . 1 1 77 77 GLN N N 234 119.836 119.836 121.678 -1.842 18244 5841 1 13 . 1 1 77 77 GLN HA H 234 4.263 4.263 4.489 -0.226 18244 5842 1 13 . 1 1 77 77 GLN C C 234 178.700 178.700 176.444 2.256 18244 5843 1 13 . 1 1 77 77 GLN CA C 234 56.700 56.700 56.537 0.163 18244 5844 1 13 . 1 1 77 77 GLN CB C 234 29.100 29.100 29.798 -0.698 18244 5845 1 13 . 1 1 77 77 GLN H H 234 8.078 8.078 9.522 -1.444 18244 5846 1 13 . 1 1 78 78 GLN N N 235 120.341 120.341 117.657 2.684 18244 5847 1 13 . 1 1 78 78 GLN HA H 235 4.288 4.288 4.593 -0.305 18244 5848 1 13 . 1 1 78 78 GLN C C 235 178.400 178.400 174.424 3.976 18244 5849 1 13 . 1 1 78 78 GLN CA C 235 56.400 56.400 55.490 0.910 18244 5850 1 13 . 1 1 78 78 GLN CB C 235 29.300 29.300 29.751 -0.451 18244 5851 1 13 . 1 1 78 78 GLN H H 235 8.226 8.226 8.348 -0.122 18244 5852 1 13 . 1 1 79 79 GLN N N 236 120.708 120.708 118.344 2.364 18244 5853 1 13 . 1 1 79 79 GLN HA H 236 4.316 4.316 4.586 -0.270 18244 5854 1 13 . 1 1 79 79 GLN C C 236 177.800 177.800 174.448 3.352 18244 5855 1 13 . 1 1 79 79 GLN CA C 236 55.900 55.900 54.359 1.541 18244 5856 1 13 . 1 1 79 79 GLN CB C 236 29.500 29.500 29.756 -0.256 18244 5857 1 13 . 1 1 79 79 GLN H H 236 8.253 8.253 7.861 0.392 18244 5858 1 13 . 1 1 80 80 ALA N N 237 125.698 125.698 124.207 1.491 18244 5859 1 13 . 1 1 80 80 ALA HA H 237 4.336 4.336 4.482 -0.146 18244 5860 1 13 . 1 1 80 80 ALA C C 237 179.000 179.000 177.119 1.881 18244 5861 1 13 . 1 1 80 80 ALA CA C 237 52.800 52.800 51.883 0.917 18244 5862 1 13 . 1 1 80 80 ALA CB C 237 19.300 19.300 19.396 -0.096 18244 5863 1 13 . 1 1 80 80 ALA H H 237 8.237 8.237 8.171 0.066 18244 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 71 3.390 -0.299 3.400 18244 2 1 1 "Average Difference" HA 79 0.212 0.019 0.213 18244 3 1 1 "Average Difference" C 72 2.728 -2.578 0.898 18244 4 1 1 "Average Difference" CA 79 1.156 -0.061 1.162 18244 5 1 1 "Average Difference" CB 79 1.070 -0.133 1.069 18244 6 1 1 "Average Difference" HN 71 0.459 -0.048 0.460 18244 7 1 2 "Average Difference" N 71 3.278 -0.307 3.287 18244 8 1 2 "Average Difference" HA 79 0.233 0.045 0.230 18244 9 1 2 "Average Difference" C 72 2.753 -2.593 0.931 18244 10 1 2 "Average Difference" CA 79 1.074 -0.202 1.062 18244 11 1 2 "Average Difference" CB 79 1.060 -0.079 1.064 18244 12 1 2 "Average Difference" HN 71 0.453 -0.106 0.443 18244 13 1 3 "Average Difference" N 71 3.239 -0.346 3.243 18244 14 1 3 "Average Difference" HA 79 0.205 0.054 0.199 18244 15 1 3 "Average Difference" C 72 2.729 -2.587 0.877 18244 16 1 3 "Average Difference" CA 79 1.024 -0.239 1.003 18244 17 1 3 "Average Difference" CB 79 1.107 -0.057 1.112 18244 18 1 3 "Average Difference" HN 71 0.469 -0.191 0.431 18244 19 1 4 "Average Difference" N 71 3.177 -0.365 3.179 18244 20 1 4 "Average Difference" HA 79 0.222 0.055 0.217 18244 21 1 4 "Average Difference" C 72 2.846 -2.685 0.950 18244 22 1 4 "Average Difference" CA 79 1.004 -0.257 0.977 18244 23 1 4 "Average Difference" CB 79 1.063 0.035 1.069 18244 24 1 4 "Average Difference" HN 71 0.470 -0.157 0.446 18244 25 1 5 "Average Difference" N 71 3.289 -0.700 3.236 18244 26 1 5 "Average Difference" HA 79 0.218 0.008 0.219 18244 27 1 5 "Average Difference" C 72 2.768 -2.605 0.940 18244 28 1 5 "Average Difference" CA 79 1.120 -0.156 1.116 18244 29 1 5 "Average Difference" CB 79 1.050 -0.196 1.038 18244 30 1 5 "Average Difference" HN 71 0.462 -0.137 0.444 18244 31 1 6 "Average Difference" N 71 3.279 -0.325 3.286 18244 32 1 6 "Average Difference" HA 79 0.203 0.043 0.200 18244 33 1 6 "Average Difference" C 72 2.749 -2.612 0.860 18244 34 1 6 "Average Difference" CA 79 1.079 -0.222 1.063 18244 35 1 6 "Average Difference" CB 79 1.001 -0.001 1.007 18244 36 1 6 "Average Difference" HN 71 0.459 -0.171 0.429 18244 37 1 7 "Average Difference" N 71 3.451 -0.554 3.431 18244 38 1 7 "Average Difference" HA 79 0.233 0.058 0.227 18244 39 1 7 "Average Difference" C 72 2.751 -2.610 0.877 18244 40 1 7 "Average Difference" CA 79 1.141 -0.274 1.114 18244 41 1 7 "Average Difference" CB 79 1.221 -0.031 1.228 18244 42 1 7 "Average Difference" HN 71 0.455 -0.109 0.445 18244 43 1 8 "Average Difference" N 71 3.308 -0.306 3.318 18244 44 1 8 "Average Difference" HA 79 0.210 0.061 0.202 18244 45 1 8 "Average Difference" C 72 2.795 -2.645 0.910 18244 46 1 8 "Average Difference" CA 79 1.025 -0.166 1.018 18244 47 1 8 "Average Difference" CB 79 1.073 -0.009 1.079 18244 48 1 8 "Average Difference" HN 71 0.455 -0.147 0.434 18244 49 1 9 "Average Difference" N 71 3.696 -0.572 3.677 18244 50 1 9 "Average Difference" HA 79 0.202 0.019 0.202 18244 51 1 9 "Average Difference" C 72 2.758 -2.597 0.934 18244 52 1 9 "Average Difference" CA 79 1.213 -0.172 1.209 18244 53 1 9 "Average Difference" CB 79 1.064 -0.057 1.069 18244 54 1 9 "Average Difference" HN 71 0.452 -0.109 0.442 18244 55 1 10 "Average Difference" N 71 3.603 -0.603 3.577 18244 56 1 10 "Average Difference" HA 79 0.187 0.038 0.184 18244 57 1 10 "Average Difference" C 72 2.788 -2.670 0.809 18244 58 1 10 "Average Difference" CA 79 1.094 -0.191 1.084 18244 59 1 10 "Average Difference" CB 79 1.153 -0.046 1.159 18244 60 1 10 "Average Difference" HN 71 0.493 -0.146 0.475 18244 61 1 11 "Average Difference" N 71 3.440 -0.347 3.447 18244 62 1 11 "Average Difference" HA 79 0.236 0.069 0.227 18244 63 1 11 "Average Difference" C 72 2.760 -2.604 0.921 18244 64 1 11 "Average Difference" CA 79 1.220 -0.251 1.202 18244 65 1 11 "Average Difference" CB 79 1.087 -0.015 1.094 18244 66 1 11 "Average Difference" HN 71 0.455 -0.099 0.447 18244 67 1 12 "Average Difference" N 71 3.597 -0.690 3.555 18244 68 1 12 "Average Difference" HA 79 0.205 0.051 0.200 18244 69 1 12 "Average Difference" C 72 2.786 -2.634 0.913 18244 70 1 12 "Average Difference" CA 79 1.002 -0.200 0.989 18244 71 1 12 "Average Difference" CB 79 1.002 0.052 1.007 18244 72 1 12 "Average Difference" HN 71 0.465 -0.093 0.459 18244 73 1 13 "Average Difference" N 71 3.335 -0.689 3.287 18244 74 1 13 "Average Difference" HA 79 0.202 0.046 0.198 18244 75 1 13 "Average Difference" C 72 2.845 -2.691 0.930 18244 76 1 13 "Average Difference" CA 79 1.059 -0.248 1.036 18244 77 1 13 "Average Difference" CB 79 1.063 0.071 1.067 18244 78 1 13 "Average Difference" HN 71 0.509 -0.128 0.496 18244 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 18244 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ARG HA H 159 4.353 4.353 4.477 -0.124 18244 2 1 . 1 1 2 2 ARG C C 159 178.200 178.200 176.215 1.985 18244 3 1 . 1 1 2 2 ARG CA C 159 56.300 56.300 56.896 -0.596 18244 4 1 . 1 1 2 2 ARG CB C 159 30.900 30.900 30.808 0.092 18244 5 1 . 1 1 3 3 ARG N N 160 123.623 123.623 121.210 2.413 18244 6 1 . 1 1 3 3 ARG HA H 160 4.306 4.306 4.462 -0.156 18244 7 1 . 1 1 3 3 ARG C C 160 178.000 178.000 175.550 2.450 18244 8 1 . 1 1 3 3 ARG CA C 160 56.100 56.100 55.998 0.102 18244 9 1 . 1 1 3 3 ARG CB C 160 31.000 31.000 30.998 0.001 18244 10 1 . 1 1 3 3 ARG H H 160 8.558 8.558 8.289 0.269 18244 11 1 . 1 1 4 4 GLN N N 161 122.962 122.962 121.645 1.317 18244 12 1 . 1 1 4 4 GLN HA H 161 4.355 4.355 4.446 -0.091 18244 13 1 . 1 1 4 4 GLN C C 161 177.900 177.900 174.891 3.009 18244 14 1 . 1 1 4 4 GLN CA C 161 55.500 55.500 55.281 0.218 18244 15 1 . 1 1 4 4 GLN CB C 161 29.600 29.600 29.887 -0.287 18244 16 1 . 1 1 4 4 GLN H H 161 8.515 8.515 8.358 0.157 18244 17 1 . 1 1 5 5 LEU N N 162 124.755 124.755 123.123 1.632 18244 18 1 . 1 1 5 5 LEU HA H 162 4.577 4.577 4.404 0.173 18244 19 1 . 1 1 5 5 LEU C C 162 180.500 180.500 176.333 4.167 18244 20 1 . 1 1 5 5 LEU CA C 162 54.700 54.700 54.786 -0.086 18244 21 1 . 1 1 5 5 LEU CB C 162 42.900 42.900 41.990 0.910 18244 22 1 . 1 1 5 5 LEU H H 162 8.480 8.480 8.480 0.000 18244 23 1 . 1 1 6 6 THR N N 163 114.727 114.727 113.996 0.731 18244 24 1 . 1 1 6 6 THR HA H 163 4.596 4.596 4.660 -0.064 18244 25 1 . 1 1 6 6 THR CA C 163 60.200 60.200 59.520 0.680 18244 26 1 . 1 1 6 6 THR CB C 163 68.200 68.200 69.893 -1.693 18244 27 1 . 1 1 6 6 THR H H 163 8.623 8.623 8.047 0.576 18244 28 1 . 1 1 7 7 PRO HA H 164 4.263 4.263 4.204 0.059 18244 29 1 . 1 1 7 7 PRO C C 164 181.600 181.600 178.762 2.838 18244 30 1 . 1 1 7 7 PRO CA C 164 65.900 65.900 65.489 0.411 18244 31 1 . 1 1 7 7 PRO CB C 164 31.600 31.600 31.959 -0.358 18244 32 1 . 1 1 8 8 GLN N N 165 116.429 116.429 116.913 -0.484 18244 33 1 . 1 1 8 8 GLN HA H 165 4.063 4.063 4.124 -0.061 18244 34 1 . 1 1 8 8 GLN C C 165 181.300 181.300 178.409 2.891 18244 35 1 . 1 1 8 8 GLN CA C 165 59.500 59.500 58.961 0.540 18244 36 1 . 1 1 8 8 GLN CB C 165 28.300 28.300 28.100 0.200 18244 37 1 . 1 1 8 8 GLN H H 165 8.439 8.439 8.569 -0.130 18244 38 1 . 1 1 9 9 GLN N N 166 120.164 120.164 118.888 1.276 18244 39 1 . 1 1 9 9 GLN HA H 166 3.948 3.948 4.093 -0.145 18244 40 1 . 1 1 9 9 GLN C C 166 180.600 180.600 178.402 2.198 18244 41 1 . 1 1 9 9 GLN CA C 166 58.700 58.700 58.606 0.094 18244 42 1 . 1 1 9 9 GLN CB C 166 29.300 29.300 28.698 0.602 18244 43 1 . 1 1 9 9 GLN H H 166 7.760 7.760 7.800 -0.040 18244 44 1 . 1 1 10 10 GLN N N 167 119.164 119.164 119.617 -0.453 18244 45 1 . 1 1 10 10 GLN HA H 167 3.860 3.860 3.964 -0.104 18244 46 1 . 1 1 10 10 GLN C C 167 180.300 180.300 178.584 1.716 18244 47 1 . 1 1 10 10 GLN CA C 167 58.600 58.600 59.221 -0.622 18244 48 1 . 1 1 10 10 GLN CB C 167 29.000 29.000 28.551 0.449 18244 49 1 . 1 1 10 10 GLN H H 167 8.787 8.787 8.490 0.297 18244 50 1 . 1 1 11 11 GLN N N 168 118.139 118.139 117.498 0.641 18244 51 1 . 1 1 11 11 GLN HA H 168 4.111 4.111 4.151 -0.040 18244 52 1 . 1 1 11 11 GLN C C 168 180.600 180.600 178.417 2.183 18244 53 1 . 1 1 11 11 GLN CA C 168 58.900 58.900 58.133 0.767 18244 54 1 . 1 1 11 11 GLN CB C 168 28.500 28.500 28.491 0.009 18244 55 1 . 1 1 11 11 GLN H H 168 7.987 7.987 7.831 0.156 18244 56 1 . 1 1 12 12 LEU N N 169 120.649 120.649 118.996 1.653 18244 57 1 . 1 1 12 12 LEU HA H 169 4.138 4.138 4.197 -0.059 18244 58 1 . 1 1 12 12 LEU C C 169 181.300 181.300 178.866 2.434 18244 59 1 . 1 1 12 12 LEU CA C 169 58.100 58.100 57.530 0.570 18244 60 1 . 1 1 12 12 LEU CB C 169 41.600 41.600 42.082 -0.482 18244 61 1 . 1 1 12 12 LEU H H 169 7.457 7.457 7.544 -0.087 18244 62 1 . 1 1 13 13 VAL N N 170 119.772 119.772 117.035 2.737 18244 63 1 . 1 1 13 13 VAL HA H 170 3.570 3.570 3.742 -0.172 18244 64 1 . 1 1 13 13 VAL C C 170 180.700 180.700 177.955 2.745 18244 65 1 . 1 1 13 13 VAL CA C 170 66.700 66.700 65.445 1.255 18244 66 1 . 1 1 13 13 VAL CB C 170 31.700 31.700 31.231 0.469 18244 67 1 . 1 1 13 13 VAL H H 170 8.101 8.101 7.974 0.127 18244 68 1 . 1 1 14 14 ASN N N 171 118.278 118.278 117.534 0.744 18244 69 1 . 1 1 14 14 ASN HA H 171 4.454 4.454 4.534 -0.080 18244 70 1 . 1 1 14 14 ASN C C 171 180.800 180.800 177.643 3.157 18244 71 1 . 1 1 14 14 ASN CA C 171 56.000 56.000 55.838 0.162 18244 72 1 . 1 1 14 14 ASN CB C 171 37.600 37.600 38.584 -0.984 18244 73 1 . 1 1 14 14 ASN H H 171 8.253 8.253 8.063 0.190 18244 74 1 . 1 1 15 15 GLN N N 172 120.079 120.079 117.898 2.181 18244 75 1 . 1 1 15 15 GLN HA H 172 4.152 4.152 4.240 -0.088 18244 76 1 . 1 1 15 15 GLN C C 172 181.100 181.100 177.040 4.060 18244 77 1 . 1 1 15 15 GLN CA C 172 58.600 58.600 57.674 0.926 18244 78 1 . 1 1 15 15 GLN CB C 172 28.800 28.800 28.709 0.091 18244 79 1 . 1 1 15 15 GLN H H 172 8.112 8.112 7.615 0.497 18244 80 1 . 1 1 16 16 MET N N 173 118.323 118.323 116.817 1.506 18244 81 1 . 1 1 16 16 MET HA H 173 4.266 4.266 4.447 -0.181 18244 82 1 . 1 1 16 16 MET C C 173 180.300 180.300 176.756 3.544 18244 83 1 . 1 1 16 16 MET CA C 173 57.300 57.300 55.287 2.013 18244 84 1 . 1 1 16 16 MET CB C 173 31.400 31.400 31.999 -0.599 18244 85 1 . 1 1 16 16 MET H H 173 8.371 8.371 7.573 0.798 18244 86 1 . 1 1 17 17 LYS N N 174 117.179 117.179 120.149 -2.970 18244 87 1 . 1 1 17 17 LYS HA H 174 4.450 4.450 4.318 0.132 18244 88 1 . 1 1 17 17 LYS C C 174 178.400 178.400 177.301 1.099 18244 89 1 . 1 1 17 17 LYS CA C 174 55.800 55.800 57.908 -2.108 18244 90 1 . 1 1 17 17 LYS CB C 174 33.600 33.600 33.615 -0.015 18244 91 1 . 1 1 17 17 LYS H H 174 7.798 7.798 7.591 0.207 18244 92 1 . 1 1 18 18 VAL N N 175 135.773 135.773 118.440 17.333 18244 93 1 . 1 1 18 18 VAL HA H 175 4.674 4.674 4.335 0.339 18244 94 1 . 1 1 18 18 VAL C C 175 177.700 177.700 174.461 3.239 18244 95 1 . 1 1 18 18 VAL CA C 175 60.100 60.100 61.209 -1.109 18244 96 1 . 1 1 18 18 VAL CB C 175 33.200 33.200 30.529 2.671 18244 97 1 . 1 1 18 18 VAL H H 175 6.894 6.894 7.950 -1.056 18244 98 1 . 1 1 19 19 ALA N N 176 127.267 127.267 130.209 -2.942 18244 99 1 . 1 1 19 19 ALA HA H 176 4.653 4.653 4.944 -0.291 18244 100 1 . 1 1 19 19 ALA CA C 176 50.200 50.200 49.694 0.506 18244 101 1 . 1 1 19 19 ALA CB C 176 18.800 18.800 21.105 -2.305 18244 102 1 . 1 1 19 19 ALA H H 176 7.508 7.508 8.041 -0.533 18244 103 1 . 1 1 20 20 PRO HA H 177 4.439 4.439 4.981 -0.542 18244 104 1 . 1 1 20 20 PRO C C 177 179.700 179.700 175.787 3.913 18244 105 1 . 1 1 20 20 PRO CA C 177 62.900 62.900 61.905 0.995 18244 106 1 . 1 1 20 20 PRO CB C 177 31.400 31.400 32.601 -1.201 18244 107 1 . 1 1 21 21 ILE N N 178 128.957 128.957 122.224 6.733 18244 108 1 . 1 1 21 21 ILE HA H 178 3.571 3.571 3.717 -0.146 18244 109 1 . 1 1 21 21 ILE CA C 178 59.700 59.700 59.343 0.357 18244 110 1 . 1 1 21 21 ILE CB C 178 39.300 39.300 37.103 2.197 18244 111 1 . 1 1 21 21 ILE H H 178 8.659 8.659 8.090 0.569 18244 112 1 . 1 1 22 22 PRO HA H 179 4.298 4.298 4.383 -0.085 18244 113 1 . 1 1 22 22 PRO C C 179 180.600 180.600 177.178 3.422 18244 114 1 . 1 1 22 22 PRO CA C 179 62.900 62.900 62.197 0.703 18244 115 1 . 1 1 22 22 PRO CB C 179 32.600 32.600 32.475 0.125 18244 116 1 . 1 1 23 23 LYS N N 180 126.052 126.052 121.960 4.092 18244 117 1 . 1 1 23 23 LYS HA H 180 3.848 3.848 3.894 -0.046 18244 118 1 . 1 1 23 23 LYS C C 180 180.300 180.300 178.941 1.359 18244 119 1 . 1 1 23 23 LYS CA C 180 60.200 60.200 60.153 0.047 18244 120 1 . 1 1 23 23 LYS CB C 180 32.400 32.400 32.000 0.400 18244 121 1 . 1 1 23 23 LYS H H 180 8.871 8.871 8.561 0.310 18244 122 1 . 1 1 24 24 GLN N N 181 115.658 115.658 117.281 -1.623 18244 123 1 . 1 1 24 24 GLN HA H 181 4.102 4.102 4.094 0.008 18244 124 1 . 1 1 24 24 GLN C C 181 179.000 179.000 177.949 1.051 18244 125 1 . 1 1 24 24 GLN CA C 181 58.600 58.600 58.666 -0.066 18244 126 1 . 1 1 24 24 GLN CB C 181 27.400 27.400 28.285 -0.885 18244 127 1 . 1 1 24 24 GLN H H 181 9.038 9.038 8.528 0.510 18244 128 1 . 1 1 25 25 LEU N N 182 117.088 117.088 119.086 -1.998 18244 129 1 . 1 1 25 25 LEU HA H 182 4.231 4.231 4.209 0.022 18244 130 1 . 1 1 25 25 LEU C C 182 180.300 180.300 179.069 1.231 18244 131 1 . 1 1 25 25 LEU CA C 182 56.600 56.600 56.488 0.112 18244 132 1 . 1 1 25 25 LEU CB C 182 40.900 40.900 42.154 -1.254 18244 133 1 . 1 1 25 25 LEU H H 182 7.309 7.309 7.506 -0.197 18244 134 1 . 1 1 26 26 LEU N N 183 120.917 120.917 120.768 0.149 18244 135 1 . 1 1 26 26 LEU HA H 183 3.699 3.699 3.898 -0.199 18244 136 1 . 1 1 26 26 LEU C C 183 181.300 181.300 179.099 2.201 18244 137 1 . 1 1 26 26 LEU CA C 183 57.900 57.900 57.641 0.259 18244 138 1 . 1 1 26 26 LEU CB C 183 42.400 42.400 41.448 0.952 18244 139 1 . 1 1 26 26 LEU H H 183 7.842 7.842 8.168 -0.326 18244 140 1 . 1 1 27 27 GLN N N 184 112.112 112.112 116.842 -4.730 18244 141 1 . 1 1 27 27 GLN HA H 184 4.082 4.082 4.150 -0.068 18244 142 1 . 1 1 27 27 GLN C C 184 178.800 178.800 177.355 1.445 18244 143 1 . 1 1 27 27 GLN CA C 184 57.300 57.300 57.533 -0.233 18244 144 1 . 1 1 27 27 GLN CB C 184 28.500 28.500 28.041 0.459 18244 145 1 . 1 1 27 27 GLN H H 184 7.505 7.505 7.887 -0.382 18244 146 1 . 1 1 28 28 ARG N N 185 116.659 116.659 118.196 -1.537 18244 147 1 . 1 1 28 28 ARG HA H 185 4.187 4.187 4.300 -0.113 18244 148 1 . 1 1 28 28 ARG C C 185 177.900 177.900 176.208 1.692 18244 149 1 . 1 1 28 28 ARG CA C 185 56.600 56.600 57.069 -0.469 18244 150 1 . 1 1 28 28 ARG CB C 185 30.700 30.700 31.338 -0.638 18244 151 1 . 1 1 28 28 ARG H H 185 7.488 7.488 7.565 -0.077 18244 152 1 . 1 1 29 29 ILE N N 186 121.078 121.078 120.121 0.957 18244 153 1 . 1 1 29 29 ILE HA H 186 4.352 4.352 4.474 -0.122 18244 154 1 . 1 1 29 29 ILE CA C 186 59.300 59.300 58.571 0.729 18244 155 1 . 1 1 29 29 ILE CB C 186 37.800 37.800 38.061 -0.261 18244 156 1 . 1 1 29 29 ILE H H 186 7.630 7.630 7.343 0.287 18244 157 1 . 1 1 30 30 PRO HA H 187 4.256 4.256 4.670 -0.414 18244 158 1 . 1 1 30 30 PRO C C 187 178.500 178.500 176.707 1.793 18244 159 1 . 1 1 30 30 PRO CA C 187 64.100 64.100 61.960 2.140 18244 160 1 . 1 1 30 30 PRO CB C 187 32.400 32.400 32.587 -0.187 18244 161 1 . 1 1 31 31 ASN N N 188 110.335 110.335 115.743 -5.408 18244 162 1 . 1 1 31 31 ASN HA H 188 4.398 4.398 4.498 -0.100 18244 163 1 . 1 1 31 31 ASN C C 188 177.500 177.500 174.074 3.426 18244 164 1 . 1 1 31 31 ASN CA C 188 54.400 54.400 54.473 -0.073 18244 165 1 . 1 1 31 31 ASN CB C 188 37.700 37.700 37.924 -0.224 18244 166 1 . 1 1 31 31 ASN H H 188 8.464 8.464 8.742 -0.278 18244 167 1 . 1 1 32 32 ILE N N 189 117.608 117.608 116.088 1.520 18244 168 1 . 1 1 32 32 ILE HA H 189 4.416 4.416 4.561 -0.145 18244 169 1 . 1 1 32 32 ILE CA C 189 58.100 58.100 58.293 -0.193 18244 170 1 . 1 1 32 32 ILE CB C 189 38.600 38.600 40.047 -1.447 18244 171 1 . 1 1 32 32 ILE H H 189 7.325 7.325 7.489 -0.164 18244 172 1 . 1 1 33 33 PRO HA H 190 4.749 4.749 4.801 -0.052 18244 173 1 . 1 1 33 33 PRO CA C 190 61.700 61.700 62.084 -0.384 18244 174 1 . 1 1 33 33 PRO CB C 190 31.000 31.000 31.183 -0.183 18244 175 1 . 1 1 34 34 PRO HA H 191 4.391 4.391 4.274 0.117 18244 176 1 . 1 1 34 34 PRO C C 191 178.600 178.600 176.937 1.663 18244 177 1 . 1 1 34 34 PRO CA C 191 63.700 63.700 63.986 -0.286 18244 178 1 . 1 1 34 34 PRO CB C 191 32.000 32.000 32.045 -0.045 18244 179 1 . 1 1 35 35 ASN N N 192 112.827 112.827 114.351 -1.524 18244 180 1 . 1 1 35 35 ASN HA H 192 4.456 4.456 4.473 -0.017 18244 181 1 . 1 1 35 35 ASN C C 192 176.500 176.500 174.064 2.436 18244 182 1 . 1 1 35 35 ASN CA C 192 53.700 53.700 54.022 -0.322 18244 183 1 . 1 1 35 35 ASN CB C 192 37.300 37.300 38.059 -0.759 18244 184 1 . 1 1 35 35 ASN H H 192 8.256 8.256 8.678 -0.422 18244 185 1 . 1 1 36 36 ILE N N 193 119.133 119.133 114.445 4.688 18244 186 1 . 1 1 36 36 ILE HA H 193 4.144 4.144 4.328 -0.184 18244 187 1 . 1 1 36 36 ILE C C 193 177.200 177.200 174.363 2.837 18244 188 1 . 1 1 36 36 ILE CA C 193 59.100 59.100 59.868 -0.768 18244 189 1 . 1 1 36 36 ILE CB C 193 37.000 37.000 39.819 -2.819 18244 190 1 . 1 1 36 36 ILE H H 193 7.166 7.166 7.467 -0.301 18244 191 1 . 1 1 37 37 ASN N N 194 121.068 121.068 118.112 2.956 18244 192 1 . 1 1 37 37 ASN HA H 194 4.667 4.667 4.728 -0.061 18244 193 1 . 1 1 37 37 ASN C C 194 175.600 175.600 174.427 1.173 18244 194 1 . 1 1 37 37 ASN CA C 194 53.400 53.400 53.251 0.149 18244 195 1 . 1 1 37 37 ASN CB C 194 40.400 40.400 39.909 0.491 18244 196 1 . 1 1 37 37 ASN H H 194 8.764 8.764 8.475 0.289 18244 197 1 . 1 1 38 38 THR N N 195 106.795 106.795 114.922 -8.127 18244 198 1 . 1 1 38 38 THR HA H 195 4.924 4.924 4.461 0.463 18244 199 1 . 1 1 38 38 THR C C 195 178.000 178.000 175.010 2.990 18244 200 1 . 1 1 38 38 THR CA C 195 58.800 58.800 62.874 -4.074 18244 201 1 . 1 1 38 38 THR CB C 195 73.500 73.500 69.340 4.160 18244 202 1 . 1 1 38 38 THR H H 195 7.527 7.527 7.785 -0.258 18244 203 1 . 1 1 39 39 TRP N N 196 123.744 123.744 127.586 -3.842 18244 204 1 . 1 1 39 39 TRP HA H 196 4.533 4.533 4.221 0.312 18244 205 1 . 1 1 39 39 TRP C C 196 182.300 182.300 178.340 3.960 18244 206 1 . 1 1 39 39 TRP CA C 196 60.100 60.100 61.770 -1.670 18244 207 1 . 1 1 39 39 TRP CB C 196 29.400 29.400 29.461 -0.061 18244 208 1 . 1 1 39 39 TRP H H 196 10.363 10.363 8.859 1.504 18244 209 1 . 1 1 40 40 GLN N N 197 120.207 120.207 116.709 3.498 18244 210 1 . 1 1 40 40 GLN HA H 197 4.268 4.268 4.086 0.182 18244 211 1 . 1 1 40 40 GLN C C 197 180.900 180.900 177.999 2.901 18244 212 1 . 1 1 40 40 GLN CA C 197 59.500 59.500 58.928 0.572 18244 213 1 . 1 1 40 40 GLN CB C 197 28.500 28.500 28.066 0.434 18244 214 1 . 1 1 40 40 GLN H H 197 8.550 8.550 8.719 -0.169 18244 215 1 . 1 1 41 41 GLN N N 198 118.163 118.163 116.997 1.166 18244 216 1 . 1 1 41 41 GLN HA H 198 4.191 4.191 4.260 -0.069 18244 217 1 . 1 1 41 41 GLN C C 198 181.500 181.500 178.319 3.181 18244 218 1 . 1 1 41 41 GLN CA C 198 58.500 58.500 57.723 0.777 18244 219 1 . 1 1 41 41 GLN CB C 198 30.400 30.400 29.246 1.154 18244 220 1 . 1 1 41 41 GLN H H 198 7.594 7.594 7.750 -0.156 18244 221 1 . 1 1 42 42 VAL N N 199 121.112 121.112 119.534 1.578 18244 222 1 . 1 1 42 42 VAL HA H 199 3.479 3.479 3.797 -0.318 18244 223 1 . 1 1 42 42 VAL C C 199 180.000 180.000 177.921 2.079 18244 224 1 . 1 1 42 42 VAL CA C 199 67.500 67.500 65.863 1.637 18244 225 1 . 1 1 42 42 VAL CB C 199 32.000 32.000 31.604 0.396 18244 226 1 . 1 1 42 42 VAL H H 199 8.116 8.116 8.120 -0.004 18244 227 1 . 1 1 43 43 THR N N 200 113.870 113.870 114.020 -0.150 18244 228 1 . 1 1 43 43 THR HA H 200 3.904 3.904 4.202 -0.298 18244 229 1 . 1 1 43 43 THR C C 200 178.900 178.900 175.951 2.949 18244 230 1 . 1 1 43 43 THR CA C 200 67.000 67.000 65.383 1.617 18244 231 1 . 1 1 43 43 THR CB C 200 68.500 68.500 68.494 0.006 18244 232 1 . 1 1 43 43 THR H H 200 8.726 8.726 8.230 0.496 18244 233 1 . 1 1 44 44 ALA N N 201 124.369 124.369 124.339 0.030 18244 234 1 . 1 1 44 44 ALA HA H 201 4.280 4.280 4.297 -0.017 18244 235 1 . 1 1 44 44 ALA C C 201 182.700 182.700 179.111 3.589 18244 236 1 . 1 1 44 44 ALA CA C 201 55.500 55.500 54.611 0.889 18244 237 1 . 1 1 44 44 ALA CB C 201 17.900 17.900 18.203 -0.303 18244 238 1 . 1 1 44 44 ALA H H 201 7.539 7.539 7.758 -0.219 18244 239 1 . 1 1 45 45 LEU N N 202 117.896 117.896 117.247 0.649 18244 240 1 . 1 1 45 45 LEU HA H 202 4.068 4.068 4.206 -0.138 18244 241 1 . 1 1 45 45 LEU C C 202 182.200 182.200 178.576 3.624 18244 242 1 . 1 1 45 45 LEU CA C 202 58.100 58.100 57.325 0.775 18244 243 1 . 1 1 45 45 LEU CB C 202 41.800 41.800 41.316 0.484 18244 244 1 . 1 1 45 45 LEU H H 202 7.716 7.716 7.630 0.086 18244 245 1 . 1 1 46 46 ALA N N 203 121.746 121.746 120.794 0.952 18244 246 1 . 1 1 46 46 ALA HA H 203 4.184 4.184 4.131 0.053 18244 247 1 . 1 1 46 46 ALA C C 203 184.300 184.300 180.002 4.298 18244 248 1 . 1 1 46 46 ALA CA C 203 55.400 55.400 54.662 0.738 18244 249 1 . 1 1 46 46 ALA CB C 203 18.100 18.100 18.378 -0.278 18244 250 1 . 1 1 46 46 ALA H H 203 8.117 8.117 7.682 0.435 18244 251 1 . 1 1 47 47 GLN N N 204 120.247 120.247 117.832 2.415 18244 252 1 . 1 1 47 47 GLN HA H 204 4.088 4.088 4.117 -0.029 18244 253 1 . 1 1 47 47 GLN C C 204 180.100 180.100 177.700 2.400 18244 254 1 . 1 1 47 47 GLN CA C 204 58.900 58.900 57.931 0.969 18244 255 1 . 1 1 47 47 GLN CB C 204 28.500 28.500 28.644 -0.144 18244 256 1 . 1 1 47 47 GLN H H 204 8.515 8.515 7.780 0.735 18244 257 1 . 1 1 48 48 GLN N N 205 116.167 116.167 116.767 -0.600 18244 258 1 . 1 1 48 48 GLN HA H 205 4.290 4.290 4.338 -0.048 18244 259 1 . 1 1 48 48 GLN C C 205 176.700 176.700 175.084 1.616 18244 260 1 . 1 1 48 48 GLN CA C 205 55.900 55.900 55.409 0.491 18244 261 1 . 1 1 48 48 GLN CB C 205 30.000 30.000 28.742 1.258 18244 262 1 . 1 1 48 48 GLN H H 205 7.534 7.534 7.556 -0.022 18244 263 1 . 1 1 49 49 LYS N N 206 113.354 113.354 115.635 -2.281 18244 264 1 . 1 1 49 49 LYS HA H 206 4.118 4.118 4.004 0.114 18244 265 1 . 1 1 49 49 LYS C C 206 178.700 178.700 176.216 2.484 18244 266 1 . 1 1 49 49 LYS CA C 206 57.500 57.500 57.403 0.097 18244 267 1 . 1 1 49 49 LYS CB C 206 28.300 28.300 29.551 -1.251 18244 268 1 . 1 1 49 49 LYS H H 206 7.957 7.957 7.796 0.161 18244 269 1 . 1 1 50 50 LEU N N 207 116.944 116.944 116.814 0.130 18244 270 1 . 1 1 50 50 LEU HA H 207 4.423 4.423 4.341 0.082 18244 271 1 . 1 1 50 50 LEU C C 207 180.000 180.000 176.636 3.364 18244 272 1 . 1 1 50 50 LEU CA C 207 55.300 55.300 54.931 0.369 18244 273 1 . 1 1 50 50 LEU CB C 207 42.500 42.500 42.728 -0.228 18244 274 1 . 1 1 50 50 LEU H H 207 8.016 8.016 7.839 0.177 18244 275 1 . 1 1 51 51 LEU N N 208 117.793 117.793 120.961 -3.168 18244 276 1 . 1 1 51 51 LEU HA H 208 4.922 4.922 4.496 0.426 18244 277 1 . 1 1 51 51 LEU C C 208 179.000 179.000 176.443 2.557 18244 278 1 . 1 1 51 51 LEU CA C 208 53.400 53.400 54.122 -0.722 18244 279 1 . 1 1 51 51 LEU CB C 208 44.500 44.500 43.501 0.999 18244 280 1 . 1 1 51 51 LEU H H 208 7.109 7.109 7.661 -0.552 18244 281 1 . 1 1 52 52 THR N N 209 115.695 115.695 117.804 -2.109 18244 282 1 . 1 1 52 52 THR HA H 209 4.623 4.623 4.831 -0.208 18244 283 1 . 1 1 52 52 THR CA C 209 60.700 60.700 59.184 1.516 18244 284 1 . 1 1 52 52 THR CB C 209 69.000 69.000 69.337 -0.337 18244 285 1 . 1 1 52 52 THR H H 209 9.460 9.460 9.124 0.336 18244 286 1 . 1 1 53 53 PRO HA H 210 4.275 4.275 4.197 0.078 18244 287 1 . 1 1 53 53 PRO C C 210 181.700 181.700 178.309 3.391 18244 288 1 . 1 1 53 53 PRO CA C 210 66.000 66.000 65.500 0.500 18244 289 1 . 1 1 53 53 PRO CB C 210 31.600 31.600 31.717 -0.117 18244 290 1 . 1 1 54 54 GLN N N 211 116.837 116.837 116.444 0.393 18244 291 1 . 1 1 54 54 GLN HA H 211 4.119 4.119 4.126 -0.007 18244 292 1 . 1 1 54 54 GLN C C 211 181.500 181.500 177.973 3.527 18244 293 1 . 1 1 54 54 GLN CA C 211 59.800 59.800 58.709 1.091 18244 294 1 . 1 1 54 54 GLN CB C 211 28.100 28.100 28.282 -0.182 18244 295 1 . 1 1 54 54 GLN H H 211 8.229 8.229 8.217 0.012 18244 296 1 . 1 1 55 55 ASP N N 212 123.621 123.621 120.249 3.372 18244 297 1 . 1 1 55 55 ASP HA H 212 4.353 4.353 4.501 -0.148 18244 298 1 . 1 1 55 55 ASP C C 212 181.100 181.100 178.211 2.889 18244 299 1 . 1 1 55 55 ASP CA C 212 57.900 57.900 56.630 1.270 18244 300 1 . 1 1 55 55 ASP CB C 212 41.700 41.700 40.771 0.929 18244 301 1 . 1 1 55 55 ASP H H 212 7.957 7.957 7.734 0.223 18244 302 1 . 1 1 56 56 MET N N 213 117.263 117.263 119.028 -1.765 18244 303 1 . 1 1 56 56 MET HA H 213 4.380 4.380 4.144 0.236 18244 304 1 . 1 1 56 56 MET C C 213 181.000 181.000 178.324 2.676 18244 305 1 . 1 1 56 56 MET CA C 213 57.100 57.100 59.121 -2.021 18244 306 1 . 1 1 56 56 MET CB C 213 31.200 31.200 32.356 -1.156 18244 307 1 . 1 1 56 56 MET H H 213 8.314 8.314 8.082 0.232 18244 308 1 . 1 1 57 57 GLU N N 214 120.570 120.570 117.935 2.635 18244 309 1 . 1 1 57 57 GLU HA H 214 4.085 4.085 4.152 -0.067 18244 310 1 . 1 1 57 57 GLU C C 214 181.700 181.700 178.313 3.387 18244 311 1 . 1 1 57 57 GLU CA C 214 59.500 59.500 58.858 0.642 18244 312 1 . 1 1 57 57 GLU CB C 214 29.300 29.300 29.263 0.037 18244 313 1 . 1 1 57 57 GLU H H 214 8.039 8.039 7.917 0.122 18244 314 1 . 1 1 58 58 ALA N N 215 121.915 121.915 121.411 0.504 18244 315 1 . 1 1 58 58 ALA HA H 215 4.361 4.361 4.315 0.046 18244 316 1 . 1 1 58 58 ALA C C 215 182.800 182.800 179.320 3.480 18244 317 1 . 1 1 58 58 ALA CA C 215 55.100 55.100 54.461 0.639 18244 318 1 . 1 1 58 58 ALA CB C 215 18.500 18.500 18.557 -0.057 18244 319 1 . 1 1 58 58 ALA H H 215 7.571 7.571 7.368 0.203 18244 320 1 . 1 1 59 59 ALA N N 216 120.749 120.749 121.174 -0.425 18244 321 1 . 1 1 59 59 ALA HA H 216 4.137 4.137 4.120 0.017 18244 322 1 . 1 1 59 59 ALA C C 216 180.800 180.800 179.138 1.662 18244 323 1 . 1 1 59 59 ALA CA C 216 55.700 55.700 54.970 0.730 18244 324 1 . 1 1 59 59 ALA CB C 216 18.100 18.100 18.520 -0.420 18244 325 1 . 1 1 59 59 ALA H H 216 8.728 8.728 8.228 0.500 18244 326 1 . 1 1 60 60 LYS N N 217 117.415 117.415 118.070 -0.655 18244 327 1 . 1 1 60 60 LYS HA H 217 3.700 3.700 4.009 -0.309 18244 328 1 . 1 1 60 60 LYS C C 217 181.300 181.300 178.940 2.360 18244 329 1 . 1 1 60 60 LYS CA C 217 60.200 60.200 59.532 0.668 18244 330 1 . 1 1 60 60 LYS CB C 217 32.600 32.600 32.140 0.460 18244 331 1 . 1 1 60 60 LYS H H 217 8.292 8.292 7.890 0.402 18244 332 1 . 1 1 61 61 GLN N N 218 118.499 118.499 119.030 -0.531 18244 333 1 . 1 1 61 61 GLN HA H 218 4.171 4.171 4.150 0.021 18244 334 1 . 1 1 61 61 GLN C C 218 181.500 181.500 178.359 3.141 18244 335 1 . 1 1 61 61 GLN CA C 218 59.200 59.200 58.757 0.443 18244 336 1 . 1 1 61 61 GLN CB C 218 29.400 29.400 28.697 0.703 18244 337 1 . 1 1 61 61 GLN H H 218 7.401 7.401 7.619 -0.218 18244 338 1 . 1 1 62 62 VAL N N 219 119.685 119.685 120.429 -0.744 18244 339 1 . 1 1 62 62 VAL HA H 219 3.746 3.746 3.730 0.016 18244 340 1 . 1 1 62 62 VAL C C 219 179.400 179.400 178.062 1.338 18244 341 1 . 1 1 62 62 VAL CA C 219 66.800 66.800 66.578 0.222 18244 342 1 . 1 1 62 62 VAL CB C 219 31.900 31.900 31.329 0.571 18244 343 1 . 1 1 62 62 VAL H H 219 8.036 8.036 7.675 0.361 18244 344 1 . 1 1 63 63 TYR N N 220 123.794 123.794 120.425 3.369 18244 345 1 . 1 1 63 63 TYR HA H 220 3.725 3.725 4.342 -0.617 18244 346 1 . 1 1 63 63 TYR C C 220 179.300 179.300 177.843 1.457 18244 347 1 . 1 1 63 63 TYR CA C 220 62.200 62.200 61.720 0.480 18244 348 1 . 1 1 63 63 TYR CB C 220 38.000 38.000 38.216 -0.216 18244 349 1 . 1 1 63 63 TYR H H 220 8.802 8.802 8.165 0.637 18244 350 1 . 1 1 64 64 LYS N N 221 117.772 117.772 119.036 -1.264 18244 351 1 . 1 1 64 64 LYS HA H 221 3.864 3.864 4.034 -0.170 18244 352 1 . 1 1 64 64 LYS C C 221 181.700 181.700 179.070 2.630 18244 353 1 . 1 1 64 64 LYS CA C 221 59.800 59.800 59.408 0.392 18244 354 1 . 1 1 64 64 LYS CB C 221 32.200 32.200 32.420 -0.220 18244 355 1 . 1 1 64 64 LYS H H 221 7.452 7.452 7.677 -0.225 18244 356 1 . 1 1 65 65 ILE N N 222 119.985 119.985 119.513 0.472 18244 357 1 . 1 1 65 65 ILE HA H 222 3.757 3.757 3.765 -0.008 18244 358 1 . 1 1 65 65 ILE C C 222 180.700 180.700 177.646 3.054 18244 359 1 . 1 1 65 65 ILE CA C 222 65.000 65.000 65.010 -0.010 18244 360 1 . 1 1 65 65 ILE CB C 222 38.200 38.200 37.915 0.285 18244 361 1 . 1 1 65 65 ILE H H 222 7.673 7.673 7.955 -0.282 18244 362 1 . 1 1 66 66 HIS N N 223 121.506 121.506 119.761 1.745 18244 363 1 . 1 1 66 66 HIS HA H 223 4.343 4.343 4.135 0.208 18244 364 1 . 1 1 66 66 HIS C C 223 179.400 179.400 177.470 1.930 18244 365 1 . 1 1 66 66 HIS CA C 223 57.500 57.500 59.523 -2.022 18244 366 1 . 1 1 66 66 HIS CB C 223 32.800 32.800 30.366 2.434 18244 367 1 . 1 1 66 66 HIS H H 223 8.943 8.943 8.440 0.503 18244 368 1 . 1 1 67 67 GLN N N 224 117.421 117.421 117.641 -0.220 18244 369 1 . 1 1 67 67 GLN HA H 224 3.720 3.720 3.900 -0.180 18244 370 1 . 1 1 67 67 GLN C C 224 180.200 180.200 178.306 1.894 18244 371 1 . 1 1 67 67 GLN CA C 224 59.800 59.800 58.881 0.918 18244 372 1 . 1 1 67 67 GLN CB C 224 29.500 29.500 28.262 1.238 18244 373 1 . 1 1 67 67 GLN H H 224 8.526 8.526 7.941 0.585 18244 374 1 . 1 1 68 68 GLN N N 225 117.385 117.385 119.196 -1.811 18244 375 1 . 1 1 68 68 GLN HA H 225 4.017 4.017 4.135 -0.118 18244 376 1 . 1 1 68 68 GLN C C 225 181.100 181.100 178.566 2.534 18244 377 1 . 1 1 68 68 GLN CA C 225 59.200 59.200 58.577 0.623 18244 378 1 . 1 1 68 68 GLN CB C 225 28.400 28.400 28.532 -0.132 18244 379 1 . 1 1 68 68 GLN H H 225 7.673 7.673 7.552 0.121 18244 380 1 . 1 1 69 69 LEU N N 226 120.608 120.608 121.087 -0.479 18244 381 1 . 1 1 69 69 LEU HA H 226 4.126 4.126 4.125 0.001 18244 382 1 . 1 1 69 69 LEU C C 226 182.700 182.700 178.717 3.983 18244 383 1 . 1 1 69 69 LEU CA C 226 58.200 58.200 57.846 0.354 18244 384 1 . 1 1 69 69 LEU CB C 226 42.000 42.000 41.846 0.154 18244 385 1 . 1 1 69 69 LEU H H 226 8.227 8.227 7.724 0.503 18244 386 1 . 1 1 70 70 LEU N N 227 120.607 120.607 119.028 1.579 18244 387 1 . 1 1 70 70 LEU HA H 227 4.108 4.108 3.929 0.179 18244 388 1 . 1 1 70 70 LEU C C 227 181.900 181.900 179.147 2.753 18244 389 1 . 1 1 70 70 LEU CA C 227 57.700 57.700 57.786 -0.086 18244 390 1 . 1 1 70 70 LEU CB C 227 41.900 41.900 41.538 0.362 18244 391 1 . 1 1 70 70 LEU H H 227 8.273 8.273 7.810 0.463 18244 392 1 . 1 1 71 71 PHE N N 228 119.975 119.975 119.631 0.344 18244 393 1 . 1 1 71 71 PHE HA H 228 4.315 4.315 4.054 0.261 18244 394 1 . 1 1 71 71 PHE C C 228 180.100 180.100 177.141 2.959 18244 395 1 . 1 1 71 71 PHE CA C 228 60.200 60.200 61.700 -1.500 18244 396 1 . 1 1 71 71 PHE CB C 228 39.000 39.000 39.133 -0.133 18244 397 1 . 1 1 71 71 PHE H H 228 8.469 8.469 7.846 0.623 18244 398 1 . 1 1 72 72 LYS N N 229 119.148 119.148 118.616 0.532 18244 399 1 . 1 1 72 72 LYS HA H 229 4.012 4.012 3.873 0.139 18244 400 1 . 1 1 72 72 LYS C C 229 180.400 180.400 178.659 1.741 18244 401 1 . 1 1 72 72 LYS CA C 229 58.800 58.800 59.453 -0.653 18244 402 1 . 1 1 72 72 LYS CB C 229 32.300 32.300 32.144 0.156 18244 403 1 . 1 1 72 72 LYS H H 229 8.143 8.143 7.936 0.207 18244 404 1 . 1 1 73 73 ALA N N 230 121.483 121.483 120.918 0.565 18244 405 1 . 1 1 73 73 ALA HA H 230 4.224 4.224 4.239 -0.015 18244 406 1 . 1 1 73 73 ALA C C 230 181.600 181.600 179.036 2.564 18244 407 1 . 1 1 73 73 ALA CA C 230 54.200 54.200 54.540 -0.340 18244 408 1 . 1 1 73 73 ALA CB C 230 18.500 18.500 18.455 0.045 18244 409 1 . 1 1 73 73 ALA H H 230 7.886 7.886 7.864 0.022 18244 410 1 . 1 1 74 74 ARG N N 231 118.073 118.073 117.086 0.987 18244 411 1 . 1 1 74 74 ARG HA H 231 4.189 4.189 4.119 0.070 18244 412 1 . 1 1 74 74 ARG C C 231 179.900 179.900 177.675 2.225 18244 413 1 . 1 1 74 74 ARG CA C 231 57.600 57.600 57.684 -0.084 18244 414 1 . 1 1 74 74 ARG CB C 231 30.100 30.100 30.275 -0.175 18244 415 1 . 1 1 74 74 ARG H H 231 7.849 7.849 7.528 0.321 18244 416 1 . 1 1 75 75 LEU N N 232 120.575 120.575 119.367 1.208 18244 417 1 . 1 1 75 75 LEU HA H 232 4.181 4.181 4.148 0.033 18244 418 1 . 1 1 75 75 LEU C C 232 180.600 180.600 177.281 3.319 18244 419 1 . 1 1 75 75 LEU CA C 232 56.400 56.400 55.974 0.426 18244 420 1 . 1 1 75 75 LEU CB C 232 42.000 42.000 42.628 -0.628 18244 421 1 . 1 1 75 75 LEU H H 232 7.847 7.847 7.332 0.515 18244 422 1 . 1 1 76 76 GLN N N 233 118.890 118.890 116.986 1.904 18244 423 1 . 1 1 76 76 GLN HA H 233 4.220 4.220 4.302 -0.082 18244 424 1 . 1 1 76 76 GLN C C 233 179.100 179.100 175.888 3.212 18244 425 1 . 1 1 76 76 GLN CA C 233 56.900 56.900 55.562 1.338 18244 426 1 . 1 1 76 76 GLN CB C 233 29.000 29.000 29.075 -0.075 18244 427 1 . 1 1 76 76 GLN H H 233 8.008 8.008 8.065 -0.057 18244 428 1 . 1 1 77 77 GLN N N 234 119.836 119.836 122.272 -2.436 18244 429 1 . 1 1 77 77 GLN HA H 234 4.263 4.263 4.320 -0.057 18244 430 1 . 1 1 77 77 GLN C C 234 178.700 178.700 176.557 2.143 18244 431 1 . 1 1 77 77 GLN CA C 234 56.700 56.700 56.882 -0.182 18244 432 1 . 1 1 77 77 GLN CB C 234 29.100 29.100 29.302 -0.202 18244 433 1 . 1 1 77 77 GLN H H 234 8.078 8.078 8.711 -0.633 18244 434 1 . 1 1 78 78 GLN N N 235 120.341 120.341 117.823 2.518 18244 435 1 . 1 1 78 78 GLN HA H 235 4.288 4.288 4.469 -0.181 18244 436 1 . 1 1 78 78 GLN C C 235 178.400 178.400 175.541 2.859 18244 437 1 . 1 1 78 78 GLN CA C 235 56.400 56.400 55.753 0.647 18244 438 1 . 1 1 78 78 GLN CB C 235 29.300 29.300 29.614 -0.314 18244 439 1 . 1 1 78 78 GLN H H 235 8.226 8.226 8.039 0.187 18244 440 1 . 1 1 79 79 GLN N N 236 120.708 120.708 119.677 1.031 18244 441 1 . 1 1 79 79 GLN HA H 236 4.316 4.316 4.480 -0.164 18244 442 1 . 1 1 79 79 GLN C C 236 177.800 177.800 174.936 2.864 18244 443 1 . 1 1 79 79 GLN CA C 236 55.900 55.900 55.103 0.797 18244 444 1 . 1 1 79 79 GLN CB C 236 29.500 29.500 29.704 -0.204 18244 445 1 . 1 1 79 79 GLN H H 236 8.253 8.253 8.190 0.063 18244 446 1 . 1 1 80 80 ALA N N 237 125.698 125.698 126.932 -1.234 18244 447 1 . 1 1 80 80 ALA HA H 237 4.336 4.336 4.365 -0.029 18244 448 1 . 1 1 80 80 ALA C C 237 179.000 179.000 177.388 1.612 18244 449 1 . 1 1 80 80 ALA CA C 237 52.800 52.800 52.448 0.352 18244 450 1 . 1 1 80 80 ALA CB C 237 19.300 19.300 19.380 -0.080 18244 451 1 . 1 1 80 80 ALA H H 237 8.237 8.237 8.467 -0.230 18244 stop_ save_