data_18261 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18261 _Entry.PDB_ID 2LPI 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 18261 _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 3 3 GLY CA C 3 45.200 45.200 44.622 0.578 18261 2 1 1 . 1 1 4 4 ASN N N 4 124.083 124.083 120.442 3.641 18261 3 1 1 . 1 1 4 4 ASN HA H 4 4.530 4.530 4.553 -0.023 18261 4 1 1 . 1 1 4 4 ASN C C 4 179.449 179.449 176.413 3.036 18261 5 1 1 . 1 1 4 4 ASN CA C 4 54.803 54.803 54.580 0.223 18261 6 1 1 . 1 1 4 4 ASN CB C 4 41.106 41.106 38.408 2.697 18261 7 1 1 . 1 1 4 4 ASN H H 4 7.981 7.981 8.545 -0.564 18261 8 1 1 . 1 1 6 6 HIS HA H 6 4.693 4.693 4.594 0.099 18261 9 1 1 . 1 1 6 6 HIS CA C 6 56.115 56.115 57.223 -1.108 18261 10 1 1 . 1 1 6 6 HIS CB C 6 31.011 31.011 28.957 2.054 18261 11 1 1 . 1 1 7 7 THR N N 7 115.238 115.238 116.266 -1.028 18261 12 1 1 . 1 1 7 7 THR HA H 7 4.318 4.318 4.396 -0.078 18261 13 1 1 . 1 1 7 7 THR C C 7 173.970 173.970 172.658 1.312 18261 14 1 1 . 1 1 7 7 THR CA C 7 62.099 62.099 60.658 1.441 18261 15 1 1 . 1 1 7 7 THR CB C 7 69.779 69.779 69.635 0.144 18261 16 1 1 . 1 1 7 7 THR H H 7 8.120 8.120 7.867 0.253 18261 17 1 1 . 1 1 8 8 THR N N 8 115.713 115.713 114.262 1.451 18261 18 1 1 . 1 1 8 8 THR HA H 8 4.146 4.146 3.778 0.368 18261 19 1 1 . 1 1 8 8 THR C C 8 172.664 172.664 174.541 -1.877 18261 20 1 1 . 1 1 8 8 THR CA C 8 58.349 58.349 59.200 -0.851 18261 21 1 1 . 1 1 8 8 THR CB C 8 69.219 69.219 68.153 1.066 18261 22 1 1 . 1 1 8 8 THR H H 8 7.977 7.977 7.952 0.025 18261 23 1 1 . 1 1 9 9 PRO HA H 9 3.939 3.939 4.145 -0.206 18261 24 1 1 . 1 1 9 9 PRO CA C 9 62.965 62.965 63.672 -0.707 18261 25 1 1 . 1 1 9 9 PRO CB C 9 30.610 30.610 30.649 -0.039 18261 26 1 1 . 1 1 10 10 TRP N N 10 111.487 111.487 115.925 -4.438 18261 27 1 1 . 1 1 10 10 TRP HA H 10 4.899 4.899 4.623 0.276 18261 28 1 1 . 1 1 10 10 TRP C C 10 175.817 175.817 176.542 -0.725 18261 29 1 1 . 1 1 10 10 TRP CA C 10 54.292 54.292 55.852 -1.560 18261 30 1 1 . 1 1 10 10 TRP CB C 10 31.219 31.219 28.773 2.446 18261 31 1 1 . 1 1 10 10 TRP H H 10 6.681 6.681 6.971 -0.290 18261 32 1 1 . 1 1 11 11 THR N N 11 106.120 106.120 112.616 -6.496 18261 33 1 1 . 1 1 11 11 THR HA H 11 3.905 3.905 4.191 -0.286 18261 34 1 1 . 1 1 11 11 THR C C 11 173.970 173.970 174.087 -0.117 18261 35 1 1 . 1 1 11 11 THR CA C 11 63.937 63.937 64.471 -0.534 18261 36 1 1 . 1 1 11 11 THR CB C 11 69.242 69.242 69.233 0.009 18261 37 1 1 . 1 1 11 11 THR H H 11 7.189 7.189 7.482 -0.293 18261 38 1 1 . 1 1 12 12 ASN N N 12 116.403 116.403 117.988 -1.585 18261 39 1 1 . 1 1 12 12 ASN HA H 12 5.115 5.115 4.996 0.119 18261 40 1 1 . 1 1 12 12 ASN C C 12 172.889 172.889 174.109 -1.220 18261 41 1 1 . 1 1 12 12 ASN CA C 12 51.276 51.276 50.359 0.916 18261 42 1 1 . 1 1 12 12 ASN CB C 12 40.474 40.474 39.988 0.486 18261 43 1 1 . 1 1 12 12 ASN H H 12 7.282 7.282 7.454 -0.172 18261 44 1 1 . 1 1 13 13 PRO HA H 13 4.210 4.210 4.513 -0.303 18261 45 1 1 . 1 1 13 13 PRO CA C 13 65.516 65.516 65.511 0.005 18261 46 1 1 . 1 1 13 13 PRO CB C 13 32.418 32.418 32.479 -0.061 18261 47 1 1 . 1 1 14 14 GLY N N 14 108.796 108.796 106.969 1.827 18261 48 1 1 . 1 1 14 14 GLY C C 14 175.952 175.952 176.276 -0.324 18261 49 1 1 . 1 1 14 14 GLY CA C 14 47.073 47.073 47.218 -0.145 18261 50 1 1 . 1 1 14 14 GLY H H 14 8.363 8.363 8.358 0.005 18261 51 1 1 . 1 1 15 15 LEU N N 15 124.473 124.473 122.920 1.553 18261 52 1 1 . 1 1 15 15 LEU HA H 15 4.335 4.335 4.268 0.067 18261 53 1 1 . 1 1 15 15 LEU C C 15 178.564 178.564 178.441 0.123 18261 54 1 1 . 1 1 15 15 LEU CA C 15 57.402 57.402 56.685 0.717 18261 55 1 1 . 1 1 15 15 LEU CB C 15 41.600 41.600 41.718 -0.118 18261 56 1 1 . 1 1 15 15 LEU H H 15 7.890 7.890 7.126 0.764 18261 57 1 1 . 1 1 16 16 ALA N N 16 121.371 121.371 122.208 -0.837 18261 58 1 1 . 1 1 16 16 ALA HA H 16 4.000 4.000 4.168 -0.168 18261 59 1 1 . 1 1 16 16 ALA C C 16 179.104 179.104 179.487 -0.383 18261 60 1 1 . 1 1 16 16 ALA CA C 16 56.360 56.360 55.709 0.651 18261 61 1 1 . 1 1 16 16 ALA CB C 16 19.351 19.351 18.324 1.027 18261 62 1 1 . 1 1 16 16 ALA H H 16 8.429 8.429 8.496 -0.067 18261 63 1 1 . 1 1 17 17 GLU N N 17 117.199 117.199 118.967 -1.768 18261 64 1 1 . 1 1 17 17 GLU HA H 17 3.964 3.964 3.956 0.008 18261 65 1 1 . 1 1 17 17 GLU C C 17 177.993 177.993 178.973 -0.980 18261 66 1 1 . 1 1 17 17 GLU CA C 17 59.543 59.543 59.854 -0.311 18261 67 1 1 . 1 1 17 17 GLU CB C 17 29.932 29.932 29.717 0.215 18261 68 1 1 . 1 1 17 17 GLU H H 17 8.030 8.030 8.207 -0.177 18261 69 1 1 . 1 1 18 18 ASN N N 18 118.433 118.433 117.854 0.579 18261 70 1 1 . 1 1 18 18 ASN HA H 18 4.546 4.546 4.559 -0.013 18261 71 1 1 . 1 1 18 18 ASN C C 18 178.347 178.347 177.681 0.666 18261 72 1 1 . 1 1 18 18 ASN CA C 18 56.226 56.226 56.365 -0.139 18261 73 1 1 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.687 -0.562 18261 74 1 1 . 1 1 18 18 ASN H H 18 8.075 8.075 7.718 0.357 18261 75 1 1 . 1 1 19 19 PHE N N 19 122.078 122.078 123.533 -1.455 18261 76 1 1 . 1 1 19 19 PHE HA H 19 3.881 3.881 4.314 -0.433 18261 77 1 1 . 1 1 19 19 PHE C C 19 176.837 176.837 177.358 -0.521 18261 78 1 1 . 1 1 19 19 PHE CA C 19 62.230 62.230 62.308 -0.078 18261 79 1 1 . 1 1 19 19 PHE CB C 19 39.450 39.450 39.195 0.255 18261 80 1 1 . 1 1 19 19 PHE H H 19 9.623 9.623 8.599 1.024 18261 81 1 1 . 1 1 20 20 MET N N 20 118.264 118.264 117.351 0.913 18261 82 1 1 . 1 1 20 20 MET HA H 20 4.424 4.424 4.091 0.333 18261 83 1 1 . 1 1 20 20 MET C C 20 178.924 178.924 178.435 0.489 18261 84 1 1 . 1 1 20 20 MET CA C 20 57.480 57.480 58.201 -0.721 18261 85 1 1 . 1 1 20 20 MET CB C 20 31.929 31.929 31.792 0.137 18261 86 1 1 . 1 1 20 20 MET H H 20 8.865 8.865 8.356 0.509 18261 87 1 1 . 1 1 21 21 ASN N N 21 118.455 118.455 118.461 -0.006 18261 88 1 1 . 1 1 21 21 ASN HA H 21 4.542 4.542 4.429 0.113 18261 89 1 1 . 1 1 21 21 ASN C C 21 178.249 178.249 177.727 0.522 18261 90 1 1 . 1 1 21 21 ASN CA C 21 56.305 56.305 57.191 -0.886 18261 91 1 1 . 1 1 21 21 ASN CB C 21 37.916 37.916 38.434 -0.519 18261 92 1 1 . 1 1 21 21 ASN H H 21 8.453 8.453 7.947 0.506 18261 93 1 1 . 1 1 22 22 SER N N 22 116.036 116.036 115.333 0.703 18261 94 1 1 . 1 1 22 22 SER HA H 22 4.196 4.196 4.265 -0.069 18261 95 1 1 . 1 1 22 22 SER C C 22 178.143 178.143 176.288 1.855 18261 96 1 1 . 1 1 22 22 SER CA C 22 62.256 62.256 60.714 1.542 18261 97 1 1 . 1 1 22 22 SER CB C 22 62.870 62.870 63.124 -0.254 18261 98 1 1 . 1 1 22 22 SER H H 22 7.959 7.959 8.243 -0.284 18261 99 1 1 . 1 1 23 23 PHE N N 23 124.987 124.987 124.457 0.530 18261 100 1 1 . 1 1 23 23 PHE HA H 23 4.005 4.005 4.043 -0.038 18261 101 1 1 . 1 1 23 23 PHE C C 23 175.652 175.652 176.944 -1.292 18261 102 1 1 . 1 1 23 23 PHE CA C 23 60.525 60.525 61.303 -0.778 18261 103 1 1 . 1 1 23 23 PHE CB C 23 38.899 38.899 38.878 0.021 18261 104 1 1 . 1 1 23 23 PHE H H 23 9.045 9.045 8.322 0.723 18261 105 1 1 . 1 1 24 24 MET N N 24 117.260 117.260 115.890 1.370 18261 106 1 1 . 1 1 24 24 MET HA H 24 4.040 4.040 3.817 0.223 18261 107 1 1 . 1 1 24 24 MET C C 24 179.797 179.797 178.710 1.087 18261 108 1 1 . 1 1 24 24 MET CA C 24 56.047 56.047 56.161 -0.114 18261 109 1 1 . 1 1 24 24 MET CB C 24 30.308 30.308 30.742 -0.434 18261 110 1 1 . 1 1 24 24 MET H H 24 8.302 8.302 8.097 0.205 18261 111 1 1 . 1 1 25 25 GLN N N 25 120.167 120.167 118.546 1.621 18261 112 1 1 . 1 1 25 25 GLN HA H 25 3.985 3.985 4.054 -0.069 18261 113 1 1 . 1 1 25 25 GLN C C 25 179.870 179.870 178.355 1.515 18261 114 1 1 . 1 1 25 25 GLN CA C 25 59.136 59.136 58.484 0.652 18261 115 1 1 . 1 1 25 25 GLN CB C 25 28.234 28.234 28.608 -0.374 18261 116 1 1 . 1 1 25 25 GLN H H 25 8.038 8.038 7.519 0.519 18261 117 1 1 . 1 1 26 26 GLY N N 26 107.636 107.636 105.697 1.939 18261 118 1 1 . 1 1 26 26 GLY C C 26 176.387 176.387 175.716 0.671 18261 119 1 1 . 1 1 26 26 GLY CA C 26 46.911 46.911 45.571 1.340 18261 120 1 1 . 1 1 26 26 GLY H H 26 8.095 8.095 7.643 0.452 18261 121 1 1 . 1 1 27 27 LEU N N 27 122.877 122.877 123.413 -0.536 18261 122 1 1 . 1 1 27 27 LEU HA H 27 3.783 3.783 3.960 -0.177 18261 123 1 1 . 1 1 27 27 LEU C C 27 178.564 178.564 178.610 -0.046 18261 124 1 1 . 1 1 27 27 LEU CA C 27 57.262 57.262 56.818 0.444 18261 125 1 1 . 1 1 27 27 LEU CB C 27 42.076 42.076 41.588 0.488 18261 126 1 1 . 1 1 27 27 LEU H H 27 8.369 8.369 8.101 0.268 18261 127 1 1 . 1 1 28 28 SER N N 28 109.474 109.474 114.489 -5.015 18261 128 1 1 . 1 1 28 28 SER HA H 28 4.138 4.138 4.155 -0.017 18261 129 1 1 . 1 1 28 28 SER C C 28 174.421 174.421 175.439 -1.018 18261 130 1 1 . 1 1 28 28 SER CA C 28 61.153 61.153 61.261 -0.109 18261 131 1 1 . 1 1 28 28 SER CB C 28 63.320 63.320 62.945 0.375 18261 132 1 1 . 1 1 28 28 SER H H 28 7.527 7.527 8.216 -0.689 18261 133 1 1 . 1 1 29 29 SER N N 29 114.550 114.550 114.938 -0.388 18261 134 1 1 . 1 1 29 29 SER HA H 29 4.734 4.734 4.604 0.130 18261 135 1 1 . 1 1 29 29 SER C C 29 173.970 173.970 174.203 -0.233 18261 136 1 1 . 1 1 29 29 SER CA C 29 57.927 57.927 58.114 -0.187 18261 137 1 1 . 1 1 29 29 SER CB C 29 64.500 64.500 63.793 0.707 18261 138 1 1 . 1 1 29 29 SER H H 29 7.449 7.449 7.575 -0.126 18261 139 1 1 . 1 1 30 30 MET N N 30 122.420 122.420 122.607 -0.187 18261 140 1 1 . 1 1 30 30 MET HA H 30 4.952 4.952 4.810 0.142 18261 141 1 1 . 1 1 30 30 MET C C 30 174.195 174.195 174.262 -0.067 18261 142 1 1 . 1 1 30 30 MET CA C 30 53.638 53.638 51.868 1.770 18261 143 1 1 . 1 1 30 30 MET CB C 30 32.305 32.305 31.622 0.683 18261 144 1 1 . 1 1 30 30 MET H H 30 7.674 7.674 7.685 -0.011 18261 145 1 1 . 1 1 31 31 PRO HA H 31 4.669 4.669 4.589 0.080 18261 146 1 1 . 1 1 31 31 PRO CA C 31 62.880 62.880 63.243 -0.363 18261 147 1 1 . 1 1 31 31 PRO CB C 31 32.742 32.742 32.880 -0.138 18261 148 1 1 . 1 1 32 32 GLY N N 32 106.222 106.222 108.152 -1.930 18261 149 1 1 . 1 1 32 32 GLY C C 32 172.454 172.454 173.768 -1.314 18261 150 1 1 . 1 1 32 32 GLY CA C 32 45.608 45.608 44.879 0.729 18261 151 1 1 . 1 1 32 32 GLY H H 32 8.415 8.415 8.572 -0.157 18261 152 1 1 . 1 1 33 33 PHE N N 33 116.404 116.404 118.326 -1.922 18261 153 1 1 . 1 1 33 33 PHE HA H 33 5.167 5.167 4.989 0.178 18261 154 1 1 . 1 1 33 33 PHE C C 33 176.387 176.387 175.583 0.804 18261 155 1 1 . 1 1 33 33 PHE CA C 33 56.750 56.750 56.907 -0.157 18261 156 1 1 . 1 1 33 33 PHE CB C 33 42.080 42.080 41.581 0.499 18261 157 1 1 . 1 1 33 33 PHE H H 33 7.871 7.871 7.293 0.578 18261 158 1 1 . 1 1 34 34 THR N N 34 113.684 113.684 112.675 1.009 18261 159 1 1 . 1 1 34 34 THR HA H 34 4.545 4.545 4.557 -0.012 18261 160 1 1 . 1 1 34 34 THR C C 34 175.066 175.066 174.517 0.549 18261 161 1 1 . 1 1 34 34 THR CA C 34 60.339 60.339 60.237 0.102 18261 162 1 1 . 1 1 34 34 THR CB C 34 70.381 70.381 70.941 -0.560 18261 163 1 1 . 1 1 34 34 THR H H 34 8.899 8.899 8.075 0.824 18261 164 1 1 . 1 1 35 35 ALA N N 35 122.927 122.927 125.304 -2.377 18261 165 1 1 . 1 1 35 35 ALA HA H 35 4.092 4.092 4.206 -0.114 18261 166 1 1 . 1 1 35 35 ALA C C 35 180.755 180.755 179.470 1.285 18261 167 1 1 . 1 1 35 35 ALA CA C 35 55.827 55.827 55.218 0.609 18261 168 1 1 . 1 1 35 35 ALA CB C 35 18.098 18.098 18.698 -0.600 18261 169 1 1 . 1 1 35 35 ALA H H 35 8.864 8.864 8.711 0.153 18261 170 1 1 . 1 1 36 36 SER N N 36 112.708 112.708 113.357 -0.649 18261 171 1 1 . 1 1 36 36 SER HA H 36 4.276 4.276 4.045 0.231 18261 172 1 1 . 1 1 36 36 SER C C 36 177.033 177.033 176.447 0.586 18261 173 1 1 . 1 1 36 36 SER CA C 36 61.403 61.403 61.706 -0.303 18261 174 1 1 . 1 1 36 36 SER CB C 36 62.371 62.371 62.838 -0.467 18261 175 1 1 . 1 1 36 36 SER H H 36 8.389 8.389 8.091 0.298 18261 176 1 1 . 1 1 37 37 GLN N N 37 121.595 121.595 120.982 0.613 18261 177 1 1 . 1 1 37 37 GLN HA H 37 4.272 4.272 4.142 0.130 18261 178 1 1 . 1 1 37 37 GLN C C 37 179.149 179.149 178.983 0.166 18261 179 1 1 . 1 1 37 37 GLN CA C 37 58.638 58.638 59.005 -0.367 18261 180 1 1 . 1 1 37 37 GLN CB C 37 29.123 29.123 28.704 0.419 18261 181 1 1 . 1 1 37 37 GLN H H 37 7.621 7.621 7.600 0.021 18261 182 1 1 . 1 1 38 38 LEU N N 38 119.852 119.852 120.013 -0.161 18261 183 1 1 . 1 1 38 38 LEU HA H 38 3.838 3.838 3.832 0.006 18261 184 1 1 . 1 1 38 38 LEU C C 38 179.675 179.675 179.031 0.644 18261 185 1 1 . 1 1 38 38 LEU CA C 38 57.929 57.929 57.892 0.037 18261 186 1 1 . 1 1 38 38 LEU CB C 38 40.918 40.918 41.398 -0.480 18261 187 1 1 . 1 1 38 38 LEU H H 38 8.341 8.341 8.505 -0.164 18261 188 1 1 . 1 1 39 39 ASP N N 39 122.065 122.065 119.566 2.499 18261 189 1 1 . 1 1 39 39 ASP HA H 39 4.439 4.439 4.279 0.160 18261 190 1 1 . 1 1 39 39 ASP C C 39 179.224 179.224 178.410 0.814 18261 191 1 1 . 1 1 39 39 ASP CA C 39 57.710 57.710 58.083 -0.373 18261 192 1 1 . 1 1 39 39 ASP CB C 39 40.245 40.245 40.823 -0.578 18261 193 1 1 . 1 1 39 39 ASP H H 39 7.955 7.955 8.403 -0.448 18261 194 1 1 . 1 1 40 40 ASP N N 40 121.957 121.957 120.019 1.938 18261 195 1 1 . 1 1 40 40 ASP HA H 40 4.483 4.483 4.360 0.123 18261 196 1 1 . 1 1 40 40 ASP C C 40 179.600 179.600 178.575 1.025 18261 197 1 1 . 1 1 40 40 ASP CA C 40 57.745 57.745 57.886 -0.141 18261 198 1 1 . 1 1 40 40 ASP CB C 40 40.190 40.190 40.856 -0.666 18261 199 1 1 . 1 1 40 40 ASP H H 40 8.022 8.022 7.657 0.365 18261 200 1 1 . 1 1 41 41 MET N N 41 121.160 121.160 120.104 1.056 18261 201 1 1 . 1 1 41 41 MET HA H 41 4.204 4.204 4.017 0.187 18261 202 1 1 . 1 1 41 41 MET C C 41 177.693 177.693 177.886 -0.193 18261 203 1 1 . 1 1 41 41 MET CA C 41 57.634 57.634 59.432 -1.798 18261 204 1 1 . 1 1 41 41 MET CB C 41 31.422 31.422 32.596 -1.174 18261 205 1 1 . 1 1 41 41 MET H H 41 8.668 8.668 8.283 0.385 18261 206 1 1 . 1 1 42 42 SER N N 42 116.421 116.421 114.502 1.919 18261 207 1 1 . 1 1 42 42 SER HA H 42 4.304 4.304 4.206 0.098 18261 208 1 1 . 1 1 42 42 SER C C 42 177.483 177.483 176.618 0.865 18261 209 1 1 . 1 1 42 42 SER CA C 42 62.075 62.075 61.585 0.490 18261 210 1 1 . 1 1 42 42 SER CB C 42 62.765 62.765 63.032 -0.267 18261 211 1 1 . 1 1 42 42 SER H H 42 8.375 8.375 8.461 -0.086 18261 212 1 1 . 1 1 43 43 THR N N 43 118.797 118.797 118.893 -0.096 18261 213 1 1 . 1 1 43 43 THR HA H 43 4.042 4.042 4.026 0.016 18261 214 1 1 . 1 1 43 43 THR C C 43 177.258 177.258 176.685 0.573 18261 215 1 1 . 1 1 43 43 THR CA C 43 66.584 66.584 67.067 -0.483 18261 216 1 1 . 1 1 43 43 THR CB C 43 68.490 68.490 68.641 -0.151 18261 217 1 1 . 1 1 43 43 THR H H 43 7.928 7.928 7.732 0.196 18261 218 1 1 . 1 1 44 44 ILE N N 44 122.960 122.960 120.761 2.199 18261 219 1 1 . 1 1 44 44 ILE HA H 44 3.930 3.930 3.808 0.121 18261 220 1 1 . 1 1 44 44 ILE C C 44 178.564 178.564 177.754 0.810 18261 221 1 1 . 1 1 44 44 ILE CA C 44 64.483 64.483 62.639 1.844 18261 222 1 1 . 1 1 44 44 ILE CB C 44 38.015 38.015 36.374 1.641 18261 223 1 1 . 1 1 44 44 ILE H H 44 7.863 7.863 8.138 -0.275 18261 224 1 1 . 1 1 45 45 ALA N N 45 124.792 124.792 122.493 2.299 18261 225 1 1 . 1 1 45 45 ALA HA H 45 4.122 4.122 3.979 0.143 18261 226 1 1 . 1 1 45 45 ALA C C 45 179.404 179.404 179.961 -0.557 18261 227 1 1 . 1 1 45 45 ALA CA C 45 56.009 56.009 55.504 0.505 18261 228 1 1 . 1 1 45 45 ALA CB C 45 18.908 18.908 18.158 0.750 18261 229 1 1 . 1 1 45 45 ALA H H 45 8.853 8.853 8.550 0.303 18261 230 1 1 . 1 1 46 46 GLN N N 46 116.307 116.307 117.808 -1.501 18261 231 1 1 . 1 1 46 46 GLN HA H 46 4.068 4.068 4.039 0.029 18261 232 1 1 . 1 1 46 46 GLN C C 46 179.014 179.014 178.503 0.511 18261 233 1 1 . 1 1 46 46 GLN CA C 46 58.903 58.903 58.173 0.730 18261 234 1 1 . 1 1 46 46 GLN CB C 46 28.250 28.250 27.909 0.341 18261 235 1 1 . 1 1 46 46 GLN H H 46 8.238 8.238 7.897 0.341 18261 236 1 1 . 1 1 47 47 SER N N 47 115.959 115.959 115.906 0.053 18261 237 1 1 . 1 1 47 47 SER HA H 47 4.261 4.261 4.161 0.100 18261 238 1 1 . 1 1 47 47 SER C C 47 177.483 177.483 176.752 0.731 18261 239 1 1 . 1 1 47 47 SER CA C 47 61.526 61.526 61.246 0.280 18261 240 1 1 . 1 1 47 47 SER CB C 47 62.842 62.842 62.832 0.010 18261 241 1 1 . 1 1 47 47 SER H H 47 8.223 8.223 7.569 0.654 18261 242 1 1 . 1 1 48 48 MET N N 48 121.963 121.963 120.424 1.539 18261 243 1 1 . 1 1 48 48 MET HA H 48 4.110 4.110 4.001 0.109 18261 244 1 1 . 1 1 48 48 MET C C 48 177.798 177.798 178.171 -0.373 18261 245 1 1 . 1 1 48 48 MET CA C 48 57.531 57.531 57.520 0.011 18261 246 1 1 . 1 1 48 48 MET CB C 48 31.169 31.169 31.656 -0.487 18261 247 1 1 . 1 1 48 48 MET H H 48 8.245 8.245 7.813 0.432 18261 248 1 1 . 1 1 49 49 VAL N N 49 119.045 119.045 119.222 -0.177 18261 249 1 1 . 1 1 49 49 VAL HA H 49 3.300 3.300 3.551 -0.251 18261 250 1 1 . 1 1 49 49 VAL C C 49 177.910 177.910 178.113 -0.203 18261 251 1 1 . 1 1 49 49 VAL CA C 49 67.811 67.811 67.055 0.756 18261 252 1 1 . 1 1 49 49 VAL CB C 49 31.370 31.370 31.018 0.352 18261 253 1 1 . 1 1 49 49 VAL H H 49 7.809 7.809 7.880 -0.071 18261 254 1 1 . 1 1 50 50 GLN N N 50 118.357 118.357 118.593 -0.236 18261 255 1 1 . 1 1 50 50 GLN HA H 50 4.091 4.091 3.872 0.219 18261 256 1 1 . 1 1 50 50 GLN C C 50 179.449 179.449 178.501 0.948 18261 257 1 1 . 1 1 50 50 GLN CA C 50 59.056 59.056 59.424 -0.368 18261 258 1 1 . 1 1 50 50 GLN CB C 50 28.020 28.020 28.027 -0.007 18261 259 1 1 . 1 1 50 50 GLN H H 50 8.225 8.225 8.571 -0.346 18261 260 1 1 . 1 1 51 51 SER N N 51 117.253 117.253 115.004 2.249 18261 261 1 1 . 1 1 51 51 SER HA H 51 4.235 4.235 4.182 0.053 18261 262 1 1 . 1 1 51 51 SER C C 51 176.374 176.374 176.721 -0.347 18261 263 1 1 . 1 1 51 51 SER CA C 51 62.752 62.752 61.718 1.034 18261 264 1 1 . 1 1 51 51 SER CB C 51 62.963 62.963 62.742 0.221 18261 265 1 1 . 1 1 51 51 SER H H 51 8.328 8.328 7.740 0.588 18261 266 1 1 . 1 1 52 52 ILE N N 52 123.114 123.114 121.854 1.260 18261 267 1 1 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.696 -0.097 18261 268 1 1 . 1 1 52 52 ILE C C 52 178.684 178.684 177.879 0.805 18261 269 1 1 . 1 1 52 52 ILE CA C 52 64.736 64.736 64.755 -0.019 18261 270 1 1 . 1 1 52 52 ILE CB C 52 37.838 37.838 37.671 0.167 18261 271 1 1 . 1 1 52 52 ILE H H 52 8.147 8.147 7.178 0.969 18261 272 1 1 . 1 1 53 53 GLN N N 53 120.011 120.011 119.160 0.851 18261 273 1 1 . 1 1 53 53 GLN HA H 53 3.946 3.946 3.995 -0.049 18261 274 1 1 . 1 1 53 53 GLN C C 53 179.014 179.014 178.969 0.045 18261 275 1 1 . 1 1 53 53 GLN CA C 53 59.501 59.501 58.810 0.691 18261 276 1 1 . 1 1 53 53 GLN CB C 53 27.901 27.901 27.875 0.026 18261 277 1 1 . 1 1 53 53 GLN H H 53 8.583 8.583 8.670 -0.087 18261 278 1 1 . 1 1 54 54 SER N N 54 115.479 115.479 116.597 -1.118 18261 279 1 1 . 1 1 54 54 SER HA H 54 4.302 4.302 4.243 0.059 18261 280 1 1 . 1 1 54 54 SER C C 54 176.822 176.822 176.524 0.298 18261 281 1 1 . 1 1 54 54 SER CA C 54 61.492 61.492 61.903 -0.411 18261 282 1 1 . 1 1 54 54 SER CB C 54 62.880 62.880 62.942 -0.062 18261 283 1 1 . 1 1 54 54 SER H H 54 8.271 8.271 7.736 0.535 18261 284 1 1 . 1 1 55 55 LEU N N 55 121.519 121.519 122.190 -0.671 18261 285 1 1 . 1 1 55 55 LEU HA H 55 4.068 4.068 3.952 0.116 18261 286 1 1 . 1 1 55 55 LEU C C 55 179.434 179.434 178.641 0.793 18261 287 1 1 . 1 1 55 55 LEU CA C 55 57.793 57.793 58.307 -0.514 18261 288 1 1 . 1 1 55 55 LEU CB C 55 42.245 42.245 41.597 0.648 18261 289 1 1 . 1 1 55 55 LEU H H 55 7.974 7.974 8.248 -0.274 18261 290 1 1 . 1 1 56 56 ALA N N 56 121.040 121.040 119.131 1.909 18261 291 1 1 . 1 1 56 56 ALA HA H 56 4.228 4.228 4.342 -0.114 18261 292 1 1 . 1 1 56 56 ALA C C 56 180.530 180.530 178.286 2.244 18261 293 1 1 . 1 1 56 56 ALA CA C 56 54.331 54.331 53.901 0.430 18261 294 1 1 . 1 1 56 56 ALA CB C 56 18.075 18.075 18.737 -0.662 18261 295 1 1 . 1 1 56 56 ALA H H 56 8.032 8.032 8.308 -0.276 18261 296 1 1 . 1 1 57 57 ALA N N 57 121.325 121.325 120.169 1.156 18261 297 1 1 . 1 1 57 57 ALA HA H 57 4.219 4.219 4.309 -0.090 18261 298 1 1 . 1 1 57 57 ALA C C 57 179.344 179.344 179.146 0.198 18261 299 1 1 . 1 1 57 57 ALA CA C 57 54.446 54.446 53.853 0.593 18261 300 1 1 . 1 1 57 57 ALA CB C 57 18.470 18.470 19.333 -0.863 18261 301 1 1 . 1 1 57 57 ALA H H 57 8.030 8.030 7.420 0.610 18261 302 1 1 . 1 1 58 58 GLN N N 58 114.257 114.257 116.435 -2.178 18261 303 1 1 . 1 1 58 58 GLN HA H 58 4.356 4.356 4.348 0.008 18261 304 1 1 . 1 1 58 58 GLN C C 58 176.612 176.612 176.315 0.297 18261 305 1 1 . 1 1 58 58 GLN CA C 58 55.957 55.957 55.582 0.375 18261 306 1 1 . 1 1 58 58 GLN CB C 58 29.767 29.767 29.527 0.239 18261 307 1 1 . 1 1 58 58 GLN H H 58 7.751 7.751 8.352 -0.601 18261 308 1 1 . 1 1 59 59 GLY N N 59 108.304 108.304 107.516 0.788 18261 309 1 1 . 1 1 59 59 GLY C C 59 174.856 174.856 174.465 0.391 18261 310 1 1 . 1 1 59 59 GLY CA C 59 46.197 46.197 45.729 0.468 18261 311 1 1 . 1 1 59 59 GLY H H 59 7.910 7.910 7.770 0.140 18261 312 1 1 . 1 1 60 60 ARG N N 60 118.258 118.258 117.494 0.764 18261 313 1 1 . 1 1 60 60 ARG HA H 60 4.553 4.553 4.535 0.018 18261 314 1 1 . 1 1 60 60 ARG C C 60 175.847 175.847 176.077 -0.230 18261 315 1 1 . 1 1 60 60 ARG CA C 60 55.658 55.658 54.822 0.836 18261 316 1 1 . 1 1 60 60 ARG CB C 60 31.714 31.714 31.675 0.039 18261 317 1 1 . 1 1 60 60 ARG H H 60 8.108 8.108 8.374 -0.266 18261 318 1 1 . 1 1 61 61 THR N N 61 115.924 115.924 118.678 -2.754 18261 319 1 1 . 1 1 61 61 THR HA H 61 4.785 4.785 4.271 0.514 18261 320 1 1 . 1 1 61 61 THR C C 61 173.654 173.654 174.250 -0.596 18261 321 1 1 . 1 1 61 61 THR CA C 61 63.140 63.140 62.876 0.264 18261 322 1 1 . 1 1 61 61 THR CB C 61 68.602 68.602 67.974 0.628 18261 323 1 1 . 1 1 61 61 THR H H 61 7.970 7.970 8.091 -0.121 18261 324 1 1 . 1 1 62 62 SER N N 62 119.666 119.666 120.707 -1.041 18261 325 1 1 . 1 1 62 62 SER HA H 62 4.902 4.902 4.852 0.050 18261 326 1 1 . 1 1 62 62 SER C C 62 173.207 173.207 173.830 -0.623 18261 327 1 1 . 1 1 62 62 SER CA C 62 56.193 56.193 56.068 0.125 18261 328 1 1 . 1 1 62 62 SER CB C 62 63.781 63.781 62.948 0.833 18261 329 1 1 . 1 1 62 62 SER H H 62 7.788 7.788 8.146 -0.358 18261 330 1 1 . 1 1 63 63 PRO HA H 63 4.313 4.313 4.195 0.118 18261 331 1 1 . 1 1 63 63 PRO CA C 63 65.746 65.746 65.979 -0.233 18261 332 1 1 . 1 1 63 63 PRO CB C 63 32.147 32.147 32.016 0.132 18261 333 1 1 . 1 1 64 64 ASN HA H 64 4.550 4.550 4.556 -0.006 18261 334 1 1 . 1 1 64 64 ASN CA C 64 56.202 56.202 55.792 0.410 18261 335 1 1 . 1 1 64 64 ASN CB C 64 38.000 38.000 38.164 -0.164 18261 336 1 1 . 1 1 65 65 LYS N N 65 120.530 120.530 121.216 -0.686 18261 337 1 1 . 1 1 65 65 LYS HA H 65 4.197 4.197 4.107 0.090 18261 338 1 1 . 1 1 65 65 LYS C C 65 178.999 178.999 178.477 0.522 18261 339 1 1 . 1 1 65 65 LYS CA C 65 58.250 58.250 59.023 -0.773 18261 340 1 1 . 1 1 65 65 LYS CB C 65 32.498 32.498 32.341 0.157 18261 341 1 1 . 1 1 65 65 LYS H H 65 7.770 7.770 7.647 0.123 18261 342 1 1 . 1 1 66 66 LEU N N 66 118.804 118.804 120.010 -1.206 18261 343 1 1 . 1 1 66 66 LEU HA H 66 4.070 4.070 4.095 -0.025 18261 344 1 1 . 1 1 66 66 LEU C C 66 178.928 178.928 179.062 -0.134 18261 345 1 1 . 1 1 66 66 LEU CA C 66 57.928 57.928 57.631 0.297 18261 346 1 1 . 1 1 66 66 LEU CB C 66 41.329 41.329 41.367 -0.038 18261 347 1 1 . 1 1 66 66 LEU H H 66 7.932 7.932 7.734 0.198 18261 348 1 1 . 1 1 67 67 GLN N N 67 119.307 119.307 118.713 0.594 18261 349 1 1 . 1 1 67 67 GLN HA H 67 4.224 4.224 4.004 0.220 18261 350 1 1 . 1 1 67 67 GLN C C 67 178.789 178.789 178.139 0.650 18261 351 1 1 . 1 1 67 67 GLN CA C 67 58.862 58.862 59.143 -0.281 18261 352 1 1 . 1 1 67 67 GLN CB C 67 28.052 28.052 28.625 -0.573 18261 353 1 1 . 1 1 67 67 GLN H H 67 8.160 8.160 8.357 -0.197 18261 354 1 1 . 1 1 68 68 ALA N N 68 122.124 122.124 122.053 0.071 18261 355 1 1 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.166 0.024 18261 356 1 1 . 1 1 68 68 ALA C C 68 180.320 180.320 179.577 0.743 18261 357 1 1 . 1 1 68 68 ALA CA C 68 55.282 55.282 54.748 0.534 18261 358 1 1 . 1 1 68 68 ALA CB C 68 18.251 18.251 18.433 -0.182 18261 359 1 1 . 1 1 68 68 ALA H H 68 7.844 7.844 7.667 0.177 18261 360 1 1 . 1 1 69 69 LEU N N 69 119.481 119.481 119.611 -0.130 18261 361 1 1 . 1 1 69 69 LEU HA H 69 3.912 3.912 3.927 -0.015 18261 362 1 1 . 1 1 69 69 LEU C C 69 178.864 178.864 178.996 -0.132 18261 363 1 1 . 1 1 69 69 LEU CA C 69 57.904 57.904 57.944 -0.040 18261 364 1 1 . 1 1 69 69 LEU CB C 69 41.052 41.052 40.216 0.836 18261 365 1 1 . 1 1 69 69 LEU H H 69 7.819 7.819 7.845 -0.026 18261 366 1 1 . 1 1 70 70 ASN N N 70 119.633 119.633 118.361 1.272 18261 367 1 1 . 1 1 70 70 ASN HA H 70 4.553 4.553 4.532 0.021 18261 368 1 1 . 1 1 70 70 ASN C C 70 177.483 177.483 177.856 -0.373 18261 369 1 1 . 1 1 70 70 ASN CA C 70 57.125 57.125 56.849 0.277 18261 370 1 1 . 1 1 70 70 ASN CB C 70 38.392 38.392 38.518 -0.126 18261 371 1 1 . 1 1 70 70 ASN H H 70 8.265 8.265 8.000 0.265 18261 372 1 1 . 1 1 71 71 MET N N 71 118.024 118.024 118.830 -0.806 18261 373 1 1 . 1 1 71 71 MET HA H 71 4.201 4.201 4.284 -0.083 18261 374 1 1 . 1 1 71 71 MET C C 71 178.279 178.279 178.734 -0.455 18261 375 1 1 . 1 1 71 71 MET CA C 71 59.445 59.445 58.964 0.481 18261 376 1 1 . 1 1 71 71 MET CB C 71 32.313 32.313 32.663 -0.350 18261 377 1 1 . 1 1 71 71 MET H H 71 8.098 8.098 7.489 0.609 18261 378 1 1 . 1 1 72 72 ARG N N 72 121.985 121.985 120.370 1.615 18261 379 1 1 . 1 1 72 72 ARG HA H 72 3.981 3.981 4.097 -0.116 18261 380 1 1 . 1 1 72 72 ARG C C 72 179.059 179.059 178.461 0.598 18261 381 1 1 . 1 1 72 72 ARG CA C 72 59.058 59.058 58.146 0.912 18261 382 1 1 . 1 1 72 72 ARG CB C 72 30.120 30.120 29.472 0.648 18261 383 1 1 . 1 1 72 72 ARG H H 72 8.292 8.292 8.092 0.200 18261 384 1 1 . 1 1 73 73 PHE N N 73 122.085 122.085 120.570 1.515 18261 385 1 1 . 1 1 73 73 PHE HA H 73 4.529 4.529 4.152 0.377 18261 386 1 1 . 1 1 73 73 PHE C C 73 177.258 177.258 176.743 0.515 18261 387 1 1 . 1 1 73 73 PHE CA C 73 59.248 59.248 60.933 -1.685 18261 388 1 1 . 1 1 73 73 PHE CB C 73 39.527 39.527 38.770 0.757 18261 389 1 1 . 1 1 73 73 PHE H H 73 8.703 8.703 8.447 0.256 18261 390 1 1 . 1 1 74 74 ALA N N 74 119.273 119.273 120.495 -1.222 18261 391 1 1 . 1 1 74 74 ALA HA H 74 3.764 3.764 3.701 0.063 18261 392 1 1 . 1 1 74 74 ALA C C 74 179.374 179.374 179.389 -0.015 18261 393 1 1 . 1 1 74 74 ALA CA C 74 55.324 55.324 54.920 0.404 18261 394 1 1 . 1 1 74 74 ALA CB C 74 20.509 20.509 18.533 1.976 18261 395 1 1 . 1 1 74 74 ALA H H 74 8.598 8.598 7.648 0.950 18261 396 1 1 . 1 1 75 75 SER N N 75 113.611 113.611 113.849 -0.238 18261 397 1 1 . 1 1 75 75 SER HA H 75 3.636 3.636 4.117 -0.481 18261 398 1 1 . 1 1 75 75 SER CA C 75 61.936 61.936 61.504 0.432 18261 399 1 1 . 1 1 75 75 SER CB C 75 61.869 61.869 62.324 -0.455 18261 400 1 1 . 1 1 75 75 SER H H 75 8.780 8.780 8.063 0.717 18261 401 1 1 . 1 1 76 76 SER N N 76 119.013 119.013 120.011 -0.998 18261 402 1 1 . 1 1 76 76 SER HA H 76 4.310 4.310 4.194 0.116 18261 403 1 1 . 1 1 76 76 SER CA C 76 62.536 62.536 61.885 0.651 18261 404 1 1 . 1 1 76 76 SER CB C 76 62.943 62.943 62.923 0.020 18261 405 1 1 . 1 1 76 76 SER H H 76 8.210 8.210 8.376 -0.166 18261 406 1 1 . 1 1 77 77 MET N N 77 120.105 120.105 120.241 -0.136 18261 407 1 1 . 1 1 77 77 MET HA H 77 4.027 4.027 4.096 -0.069 18261 408 1 1 . 1 1 77 77 MET C C 77 178.354 178.354 177.827 0.527 18261 409 1 1 . 1 1 77 77 MET CA C 77 59.954 59.954 59.066 0.888 18261 410 1 1 . 1 1 77 77 MET CB C 77 34.616 34.616 32.360 2.256 18261 411 1 1 . 1 1 77 77 MET H H 77 8.005 8.005 7.407 0.598 18261 412 1 1 . 1 1 78 78 ALA N N 78 121.530 121.530 123.159 -1.629 18261 413 1 1 . 1 1 78 78 ALA HA H 78 3.933 3.933 4.048 -0.115 18261 414 1 1 . 1 1 78 78 ALA C C 78 178.354 178.354 179.597 -1.243 18261 415 1 1 . 1 1 78 78 ALA CA C 78 55.427 55.427 55.447 -0.020 18261 416 1 1 . 1 1 78 78 ALA CB C 78 20.344 20.344 17.829 2.515 18261 417 1 1 . 1 1 78 78 ALA H H 78 8.550 8.550 7.812 0.738 18261 418 1 1 . 1 1 79 79 GLU N N 79 117.137 117.137 117.629 -0.492 18261 419 1 1 . 1 1 79 79 GLU HA H 79 3.919 3.919 4.042 -0.123 18261 420 1 1 . 1 1 79 79 GLU C C 79 178.894 178.894 178.283 0.611 18261 421 1 1 . 1 1 79 79 GLU CA C 79 59.445 59.445 59.102 0.342 18261 422 1 1 . 1 1 79 79 GLU CB C 79 29.895 29.895 29.664 0.231 18261 423 1 1 . 1 1 79 79 GLU H H 79 7.737 7.737 8.076 -0.339 18261 424 1 1 . 1 1 80 80 ILE N N 80 118.063 118.063 118.883 -0.820 18261 425 1 1 . 1 1 80 80 ILE HA H 80 3.932 3.932 3.811 0.121 18261 426 1 1 . 1 1 80 80 ILE C C 80 179.014 179.014 177.965 1.049 18261 427 1 1 . 1 1 80 80 ILE CA C 80 63.727 63.727 64.365 -0.638 18261 428 1 1 . 1 1 80 80 ILE CB C 80 38.208 38.208 38.413 -0.205 18261 429 1 1 . 1 1 80 80 ILE H H 80 7.239 7.239 7.279 -0.040 18261 430 1 1 . 1 1 81 81 ALA N N 81 121.494 121.494 123.037 -1.543 18261 431 1 1 . 1 1 81 81 ALA HA H 81 3.961 3.961 4.556 -0.595 18261 432 1 1 . 1 1 81 81 ALA C C 81 177.258 177.258 179.736 -2.478 18261 433 1 1 . 1 1 81 81 ALA CA C 81 54.668 54.668 54.741 -0.073 18261 434 1 1 . 1 1 81 81 ALA CB C 81 17.887 17.887 18.570 -0.683 18261 435 1 1 . 1 1 81 81 ALA H H 81 8.495 8.495 8.504 -0.009 18261 436 1 1 . 1 1 82 82 ALA N N 82 116.416 116.416 119.858 -3.442 18261 437 1 1 . 1 1 82 82 ALA HA H 82 4.316 4.316 4.075 0.241 18261 438 1 1 . 1 1 82 82 ALA C C 82 177.693 177.693 178.464 -0.771 18261 439 1 1 . 1 1 82 82 ALA CA C 82 52.630 52.630 53.848 -1.218 18261 440 1 1 . 1 1 82 82 ALA CB C 82 19.224 19.224 18.049 1.175 18261 441 1 1 . 1 1 82 82 ALA H H 82 8.034 8.034 8.308 -0.274 18261 442 1 1 . 1 1 83 83 SER N N 83 112.672 112.672 113.383 -0.711 18261 443 1 1 . 1 1 83 83 SER HA H 83 4.299 4.299 4.326 -0.027 18261 444 1 1 . 1 1 83 83 SER C C 83 174.856 174.856 174.327 0.529 18261 445 1 1 . 1 1 83 83 SER CA C 83 59.329 59.329 59.259 0.070 18261 446 1 1 . 1 1 83 83 SER CB C 83 63.943 63.943 63.413 0.530 18261 447 1 1 . 1 1 83 83 SER H H 83 7.437 7.437 7.675 -0.238 18261 448 1 1 . 1 1 84 84 GLU N N 84 122.890 122.890 120.040 2.850 18261 449 1 1 . 1 1 84 84 GLU HA H 84 4.420 4.420 3.999 0.421 18261 450 1 1 . 1 1 84 84 GLU C C 84 176.597 176.597 174.830 1.767 18261 451 1 1 . 1 1 84 84 GLU CA C 84 56.586 56.586 57.354 -0.768 18261 452 1 1 . 1 1 84 84 GLU CB C 84 30.648 30.648 28.215 2.433 18261 453 1 1 . 1 1 84 84 GLU H H 84 8.245 8.245 7.664 0.581 18261 454 1 1 . 1 1 85 85 GLU N N 85 122.062 122.062 121.587 0.475 18261 455 1 1 . 1 1 85 85 GLU HA H 85 4.285 4.285 4.578 -0.293 18261 456 1 1 . 1 1 85 85 GLU C C 85 177.258 177.258 176.650 0.608 18261 457 1 1 . 1 1 85 85 GLU CA C 85 57.128 57.128 54.957 2.171 18261 458 1 1 . 1 1 85 85 GLU CB C 85 30.121 30.121 32.163 -2.042 18261 459 1 1 . 1 1 85 85 GLU H H 85 8.477 8.477 8.069 0.408 18261 460 1 1 . 1 1 86 86 GLY N N 86 110.431 110.431 111.652 -1.221 18261 461 1 1 . 1 1 86 86 GLY C C 86 174.856 174.856 174.575 0.281 18261 462 1 1 . 1 1 86 86 GLY CA C 86 45.654 45.654 45.986 -0.332 18261 463 1 1 . 1 1 86 86 GLY H H 86 8.563 8.563 8.518 0.045 18261 464 1 1 . 1 1 87 87 GLY N N 87 108.508 108.508 112.238 -3.730 18261 465 1 1 . 1 1 87 87 GLY C C 87 174.436 174.436 175.165 -0.729 18261 466 1 1 . 1 1 87 87 GLY CA C 87 45.396 45.396 44.191 1.205 18261 467 1 1 . 1 1 87 87 GLY H H 87 8.274 8.274 7.959 0.315 18261 468 1 1 . 1 1 88 88 GLY N N 88 107.821 107.821 109.915 -2.094 18261 469 1 1 . 1 1 88 88 GLY C C 88 173.325 173.325 175.353 -2.028 18261 470 1 1 . 1 1 88 88 GLY CA C 88 44.814 44.814 45.382 -0.568 18261 471 1 1 . 1 1 88 88 GLY H H 88 8.105 8.105 7.703 0.402 18261 472 1 1 . 1 1 89 89 SER N N 89 115.747 115.747 120.272 -4.525 18261 473 1 1 . 1 1 89 89 SER HA H 89 4.582 4.582 4.263 0.319 18261 474 1 1 . 1 1 89 89 SER C C 89 175.066 175.066 175.364 -0.298 18261 475 1 1 . 1 1 89 89 SER CA C 89 57.256 57.256 59.207 -1.951 18261 476 1 1 . 1 1 89 89 SER CB C 89 65.130 65.130 63.321 1.809 18261 477 1 1 . 1 1 89 89 SER H H 89 8.476 8.476 8.103 0.373 18261 478 1 1 . 1 1 90 90 LEU N N 90 124.735 124.735 128.637 -3.902 18261 479 1 1 . 1 1 90 90 LEU HA H 90 4.106 4.106 3.999 0.107 18261 480 1 1 . 1 1 90 90 LEU C C 90 179.434 179.434 178.014 1.420 18261 481 1 1 . 1 1 90 90 LEU CA C 90 58.434 58.434 57.911 0.523 18261 482 1 1 . 1 1 90 90 LEU CB C 90 41.377 41.377 42.097 -0.720 18261 483 1 1 . 1 1 90 90 LEU H H 90 8.860 8.860 8.646 0.214 18261 484 1 1 . 1 1 91 91 SER N N 91 113.851 113.851 113.325 0.526 18261 485 1 1 . 1 1 91 91 SER C C 91 177.325 177.325 176.585 0.740 18261 486 1 1 . 1 1 91 91 SER CA C 91 61.261 61.261 61.090 0.171 18261 487 1 1 . 1 1 91 91 SER CB C 91 62.010 62.010 62.497 -0.487 18261 488 1 1 . 1 1 91 91 SER H H 91 8.537 8.537 8.299 0.238 18261 489 1 1 . 1 1 92 92 THR N N 92 120.889 120.889 118.764 2.125 18261 490 1 1 . 1 1 92 92 THR HA H 92 3.993 3.993 4.104 -0.111 18261 491 1 1 . 1 1 92 92 THR C C 92 176.162 176.162 176.610 -0.448 18261 492 1 1 . 1 1 92 92 THR CA C 92 66.467 66.467 65.903 0.563 18261 493 1 1 . 1 1 92 92 THR CB C 92 68.285 68.285 68.397 -0.112 18261 494 1 1 . 1 1 92 92 THR H H 92 7.795 7.795 7.649 0.146 18261 495 1 1 . 1 1 93 93 LYS N N 93 120.210 120.210 121.969 -1.759 18261 496 1 1 . 1 1 93 93 LYS HA H 93 3.798 3.798 3.644 0.154 18261 497 1 1 . 1 1 93 93 LYS CA C 93 61.044 61.044 59.818 1.226 18261 498 1 1 . 1 1 93 93 LYS CB C 93 33.470 33.470 31.985 1.485 18261 499 1 1 . 1 1 93 93 LYS H H 93 8.098 8.098 7.385 0.713 18261 500 1 1 . 1 1 94 94 THR N N 94 111.485 111.485 112.789 -1.304 18261 501 1 1 . 1 1 94 94 THR HA H 94 3.936 3.936 4.150 -0.214 18261 502 1 1 . 1 1 94 94 THR C C 94 177.033 177.033 177.048 -0.015 18261 503 1 1 . 1 1 94 94 THR CA C 94 66.974 66.974 66.366 0.608 18261 504 1 1 . 1 1 94 94 THR CB C 94 68.013 68.013 68.117 -0.104 18261 505 1 1 . 1 1 94 94 THR H H 94 8.891 8.891 8.363 0.528 18261 506 1 1 . 1 1 95 95 SER N N 95 118.938 118.938 118.771 0.167 18261 507 1 1 . 1 1 95 95 SER HA H 95 4.394 4.394 4.254 0.140 18261 508 1 1 . 1 1 95 95 SER C C 95 177.828 177.828 176.784 1.044 18261 509 1 1 . 1 1 95 95 SER CA C 95 61.990 61.990 61.788 0.203 18261 510 1 1 . 1 1 95 95 SER CB C 95 62.580 62.580 62.686 -0.106 18261 511 1 1 . 1 1 95 95 SER H H 95 8.118 8.118 7.842 0.276 18261 512 1 1 . 1 1 96 96 SER N N 96 121.520 121.520 119.024 2.496 18261 513 1 1 . 1 1 96 96 SER HA H 96 4.457 4.457 4.248 0.209 18261 514 1 1 . 1 1 96 96 SER CA C 96 62.695 62.695 61.789 0.905 18261 515 1 1 . 1 1 96 96 SER CB C 96 62.796 62.796 63.317 -0.521 18261 516 1 1 . 1 1 96 96 SER H H 96 8.603 8.603 7.637 0.966 18261 517 1 1 . 1 1 97 97 ILE N N 97 122.420 122.420 122.861 -0.441 18261 518 1 1 . 1 1 97 97 ILE HA H 97 3.792 3.792 3.759 0.033 18261 519 1 1 . 1 1 97 97 ILE C C 97 177.693 177.693 177.852 -0.159 18261 520 1 1 . 1 1 97 97 ILE CA C 97 66.722 66.722 65.832 0.890 18261 521 1 1 . 1 1 97 97 ILE CB C 97 38.645 38.645 37.886 0.759 18261 522 1 1 . 1 1 97 97 ILE H H 97 8.516 8.516 7.962 0.554 18261 523 1 1 . 1 1 98 98 ALA N N 98 122.031 122.031 121.235 0.796 18261 524 1 1 . 1 1 98 98 ALA HA H 98 4.063 4.063 4.205 -0.142 18261 525 1 1 . 1 1 98 98 ALA C C 98 180.740 180.740 179.762 0.978 18261 526 1 1 . 1 1 98 98 ALA CA C 98 56.158 56.158 54.911 1.247 18261 527 1 1 . 1 1 98 98 ALA CB C 98 18.347 18.347 18.187 0.160 18261 528 1 1 . 1 1 98 98 ALA H H 98 8.437 8.437 7.948 0.489 18261 529 1 1 . 1 1 99 99 SER N N 99 115.676 115.676 115.273 0.403 18261 530 1 1 . 1 1 99 99 SER HA H 99 4.369 4.369 4.299 0.070 18261 531 1 1 . 1 1 99 99 SER C C 99 177.168 177.168 176.498 0.670 18261 532 1 1 . 1 1 99 99 SER CA C 99 61.959 61.959 61.480 0.478 18261 533 1 1 . 1 1 99 99 SER CB C 99 63.160 63.160 63.103 0.057 18261 534 1 1 . 1 1 99 99 SER H H 99 8.611 8.611 7.664 0.947 18261 535 1 1 . 1 1 100 100 ALA N N 100 124.275 124.275 124.216 0.059 18261 536 1 1 . 1 1 100 100 ALA HA H 100 4.243 4.243 4.011 0.232 18261 537 1 1 . 1 1 100 100 ALA C C 100 181.851 181.851 179.518 2.333 18261 538 1 1 . 1 1 100 100 ALA CA C 100 55.321 55.321 54.965 0.356 18261 539 1 1 . 1 1 100 100 ALA CB C 100 18.479 18.479 18.264 0.215 18261 540 1 1 . 1 1 100 100 ALA H H 100 8.973 8.973 7.937 1.036 18261 541 1 1 . 1 1 101 101 MET N N 101 118.986 118.986 118.897 0.089 18261 542 1 1 . 1 1 101 101 MET HA H 101 4.063 4.063 4.197 -0.134 18261 543 1 1 . 1 1 101 101 MET C C 101 177.483 177.483 178.629 -1.146 18261 544 1 1 . 1 1 101 101 MET CA C 101 60.999 60.999 60.224 0.775 18261 545 1 1 . 1 1 101 101 MET CB C 101 34.583 34.583 33.039 1.544 18261 546 1 1 . 1 1 101 101 MET H H 101 9.072 9.072 8.732 0.340 18261 547 1 1 . 1 1 102 102 SER N N 102 116.650 116.650 114.507 2.143 18261 548 1 1 . 1 1 102 102 SER HA H 102 4.370 4.370 4.310 0.060 18261 549 1 1 . 1 1 102 102 SER C C 102 176.357 176.357 176.931 -0.574 18261 550 1 1 . 1 1 102 102 SER CA C 102 63.278 63.278 61.979 1.299 18261 551 1 1 . 1 1 102 102 SER CB C 102 62.523 62.523 62.785 -0.262 18261 552 1 1 . 1 1 102 102 SER H H 102 8.673 8.673 8.437 0.236 18261 553 1 1 . 1 1 103 103 ASN N N 103 118.060 118.060 121.537 -3.477 18261 554 1 1 . 1 1 103 103 ASN HA H 103 4.477 4.477 4.578 -0.101 18261 555 1 1 . 1 1 103 103 ASN C C 103 176.603 176.603 177.271 -0.668 18261 556 1 1 . 1 1 103 103 ASN CA C 103 56.564 56.564 55.720 0.844 18261 557 1 1 . 1 1 103 103 ASN CB C 103 38.362 38.362 38.403 -0.041 18261 558 1 1 . 1 1 103 103 ASN H H 103 8.098 8.098 8.014 0.084 18261 559 1 1 . 1 1 104 104 ALA N N 104 122.235 122.235 122.650 -0.415 18261 560 1 1 . 1 1 104 104 ALA HA H 104 4.255 4.255 4.152 0.103 18261 561 1 1 . 1 1 104 104 ALA C C 104 181.701 181.701 180.260 1.441 18261 562 1 1 . 1 1 104 104 ALA CA C 104 54.815 54.815 54.651 0.163 18261 563 1 1 . 1 1 104 104 ALA CB C 104 18.177 18.177 18.184 -0.007 18261 564 1 1 . 1 1 104 104 ALA H H 104 7.919 7.919 8.331 -0.412 18261 565 1 1 . 1 1 105 105 PHE N N 105 119.159 119.159 120.692 -1.533 18261 566 1 1 . 1 1 105 105 PHE HA H 105 4.401 4.401 4.751 -0.350 18261 567 1 1 . 1 1 105 105 PHE C C 105 179.224 179.224 177.664 1.560 18261 568 1 1 . 1 1 105 105 PHE CA C 105 63.744 63.744 59.981 3.763 18261 569 1 1 . 1 1 105 105 PHE CB C 105 39.417 39.417 39.698 -0.281 18261 570 1 1 . 1 1 105 105 PHE H H 105 8.615 8.615 8.455 0.160 18261 571 1 1 . 1 1 106 106 LEU N N 106 121.765 121.765 119.217 2.548 18261 572 1 1 . 1 1 106 106 LEU HA H 106 3.741 3.741 4.018 -0.277 18261 573 1 1 . 1 1 106 106 LEU C C 106 179.074 179.074 178.311 0.763 18261 574 1 1 . 1 1 106 106 LEU CA C 106 59.086 59.086 58.207 0.879 18261 575 1 1 . 1 1 106 106 LEU CB C 106 41.265 41.265 41.757 -0.492 18261 576 1 1 . 1 1 106 106 LEU H H 106 8.259 8.259 8.073 0.186 18261 577 1 1 . 1 1 107 107 GLN N N 107 114.755 114.755 116.619 -1.864 18261 578 1 1 . 1 1 107 107 GLN HA H 107 4.189 4.189 4.284 -0.095 18261 579 1 1 . 1 1 107 107 GLN C C 107 176.822 176.822 177.820 -0.998 18261 580 1 1 . 1 1 107 107 GLN CA C 107 57.461 57.461 57.815 -0.354 18261 581 1 1 . 1 1 107 107 GLN CB C 107 29.393 29.393 28.626 0.767 18261 582 1 1 . 1 1 107 107 GLN H H 107 8.176 8.176 7.737 0.439 18261 583 1 1 . 1 1 108 108 THR N N 108 108.074 108.074 112.494 -4.420 18261 584 1 1 . 1 1 108 108 THR HA H 108 4.517 4.517 4.293 0.224 18261 585 1 1 . 1 1 108 108 THR C C 108 175.952 175.952 175.704 0.248 18261 586 1 1 . 1 1 108 108 THR CA C 108 62.526 62.526 64.741 -2.215 18261 587 1 1 . 1 1 108 108 THR CB C 108 70.320 70.320 69.596 0.724 18261 588 1 1 . 1 1 108 108 THR H H 108 7.740 7.740 7.754 -0.014 18261 589 1 1 . 1 1 109 109 THR N N 109 113.029 113.029 113.667 -0.638 18261 590 1 1 . 1 1 109 109 THR HA H 109 4.620 4.620 4.400 0.220 18261 591 1 1 . 1 1 109 109 THR C C 109 176.162 176.162 174.859 1.303 18261 592 1 1 . 1 1 109 109 THR CA C 109 62.255 62.255 62.092 0.164 18261 593 1 1 . 1 1 109 109 THR CB C 109 70.768 70.768 69.598 1.170 18261 594 1 1 . 1 1 109 109 THR H H 109 8.869 8.869 7.634 1.235 18261 595 1 1 . 1 1 110 110 GLY N N 110 109.433 109.433 109.446 -0.013 18261 596 1 1 . 1 1 110 110 GLY C C 110 172.889 172.889 173.505 -0.616 18261 597 1 1 . 1 1 110 110 GLY CA C 110 45.555 45.555 45.081 0.474 18261 598 1 1 . 1 1 110 110 GLY H H 110 8.298 8.298 7.619 0.679 18261 599 1 1 . 1 1 111 111 VAL N N 111 119.167 119.167 119.481 -0.314 18261 600 1 1 . 1 1 111 111 VAL HA H 111 4.266 4.266 4.320 -0.054 18261 601 1 1 . 1 1 111 111 VAL C C 111 174.421 174.421 174.988 -0.567 18261 602 1 1 . 1 1 111 111 VAL CA C 111 60.783 60.783 59.601 1.182 18261 603 1 1 . 1 1 111 111 VAL CB C 111 35.394 35.394 34.798 0.596 18261 604 1 1 . 1 1 111 111 VAL H H 111 7.786 7.786 7.472 0.314 18261 605 1 1 . 1 1 112 112 VAL N N 112 124.920 124.920 122.313 2.607 18261 606 1 1 . 1 1 112 112 VAL HA H 112 3.251 3.251 4.395 -1.144 18261 607 1 1 . 1 1 112 112 VAL C C 112 174.646 174.646 175.227 -0.581 18261 608 1 1 . 1 1 112 112 VAL CA C 112 64.409 64.409 60.928 3.481 18261 609 1 1 . 1 1 112 112 VAL CB C 112 32.626 32.626 32.530 0.096 18261 610 1 1 . 1 1 112 112 VAL H H 112 8.721 8.721 8.299 0.422 18261 611 1 1 . 1 1 113 113 ASN HA H 113 4.505 4.505 4.723 -0.218 18261 612 1 1 . 1 1 113 113 ASN CA C 113 50.080 50.080 52.579 -2.499 18261 613 1 1 . 1 1 113 113 ASN CB C 113 36.910 36.910 39.229 -2.319 18261 614 1 1 . 1 1 114 114 GLN N N 114 123.939 123.939 128.326 -4.387 18261 615 1 1 . 1 1 114 114 GLN HA H 114 3.944 3.944 4.486 -0.542 18261 616 1 1 . 1 1 114 114 GLN C C 114 174.811 174.811 174.908 -0.097 18261 617 1 1 . 1 1 114 114 GLN CA C 114 59.348 59.348 59.409 -0.061 18261 618 1 1 . 1 1 114 114 GLN CB C 114 26.505 26.505 27.317 -0.812 18261 619 1 1 . 1 1 114 114 GLN H H 114 8.368 8.368 8.867 -0.499 18261 620 1 1 . 1 1 115 115 PRO HA H 115 4.243 4.243 4.192 0.051 18261 621 1 1 . 1 1 115 115 PRO CA C 115 66.602 66.602 65.808 0.794 18261 622 1 1 . 1 1 115 115 PRO CB C 115 31.215 31.215 31.401 -0.186 18261 623 1 1 . 1 1 116 116 PHE N N 116 117.612 117.612 117.245 0.367 18261 624 1 1 . 1 1 116 116 PHE HA H 116 4.209 4.209 4.579 -0.370 18261 625 1 1 . 1 1 116 116 PHE C C 116 176.597 176.597 177.762 -1.165 18261 626 1 1 . 1 1 116 116 PHE CA C 116 61.261 61.261 60.944 0.317 18261 627 1 1 . 1 1 116 116 PHE CB C 116 39.506 39.506 39.374 0.132 18261 628 1 1 . 1 1 116 116 PHE H H 116 7.249 7.249 8.372 -1.123 18261 629 1 1 . 1 1 117 117 ILE N N 117 119.233 119.233 119.806 -0.573 18261 630 1 1 . 1 1 117 117 ILE HA H 117 3.537 3.537 3.699 -0.162 18261 631 1 1 . 1 1 117 117 ILE C C 117 178.789 178.789 177.865 0.924 18261 632 1 1 . 1 1 117 117 ILE CA C 117 65.677 65.677 64.821 0.856 18261 633 1 1 . 1 1 117 117 ILE CB C 117 38.125 38.125 37.636 0.489 18261 634 1 1 . 1 1 117 117 ILE H H 117 7.652 7.652 7.626 0.026 18261 635 1 1 . 1 1 118 118 ASN N N 118 119.875 119.875 119.443 0.432 18261 636 1 1 . 1 1 118 118 ASN HA H 118 4.304 4.304 4.520 -0.216 18261 637 1 1 . 1 1 118 118 ASN C C 118 177.033 177.033 177.983 -0.950 18261 638 1 1 . 1 1 118 118 ASN CA C 118 55.716 55.716 55.956 -0.240 18261 639 1 1 . 1 1 118 118 ASN CB C 118 37.423 37.423 37.904 -0.481 18261 640 1 1 . 1 1 118 118 ASN H H 118 8.975 8.975 8.007 0.968 18261 641 1 1 . 1 1 119 119 GLU N N 119 121.029 121.029 120.852 0.177 18261 642 1 1 . 1 1 119 119 GLU HA H 119 4.026 4.026 4.013 0.013 18261 643 1 1 . 1 1 119 119 GLU C C 119 178.564 178.564 178.846 -0.282 18261 644 1 1 . 1 1 119 119 GLU CA C 119 59.426 59.426 59.201 0.225 18261 645 1 1 . 1 1 119 119 GLU CB C 119 29.646 29.646 29.637 0.009 18261 646 1 1 . 1 1 119 119 GLU H H 119 8.120 8.120 7.860 0.260 18261 647 1 1 . 1 1 120 120 ILE N N 120 117.654 117.654 119.637 -1.983 18261 648 1 1 . 1 1 120 120 ILE HA H 120 3.734 3.734 3.741 -0.007 18261 649 1 1 . 1 1 120 120 ILE C C 120 178.279 178.279 178.114 0.165 18261 650 1 1 . 1 1 120 120 ILE CA C 120 62.756 62.756 65.210 -2.454 18261 651 1 1 . 1 1 120 120 ILE CB C 120 35.645 35.645 37.858 -2.213 18261 652 1 1 . 1 1 120 120 ILE H H 120 8.077 8.077 7.781 0.296 18261 653 1 1 . 1 1 121 121 THR N N 121 112.585 112.585 113.770 -1.185 18261 654 1 1 . 1 1 121 121 THR HA H 121 3.753 3.753 3.938 -0.185 18261 655 1 1 . 1 1 121 121 THR C C 121 177.258 177.258 176.764 0.494 18261 656 1 1 . 1 1 121 121 THR CA C 121 67.090 67.090 66.892 0.198 18261 657 1 1 . 1 1 121 121 THR CB C 121 68.254 68.254 68.133 0.121 18261 658 1 1 . 1 1 121 121 THR H H 121 8.640 8.640 8.277 0.363 18261 659 1 1 . 1 1 122 122 GLN N N 122 123.063 123.063 120.384 2.679 18261 660 1 1 . 1 1 122 122 GLN HA H 122 4.091 4.091 4.210 -0.119 18261 661 1 1 . 1 1 122 122 GLN C C 122 179.014 179.014 178.593 0.421 18261 662 1 1 . 1 1 122 122 GLN CA C 122 59.192 59.192 58.201 0.991 18261 663 1 1 . 1 1 122 122 GLN CB C 122 28.020 28.020 27.899 0.121 18261 664 1 1 . 1 1 122 122 GLN H H 122 8.111 8.111 7.643 0.468 18261 665 1 1 . 1 1 123 123 LEU N N 123 120.494 120.494 121.617 -1.123 18261 666 1 1 . 1 1 123 123 LEU HA H 123 3.841 3.841 3.999 -0.158 18261 667 1 1 . 1 1 123 123 LEU C C 123 178.354 178.354 179.103 -0.749 18261 668 1 1 . 1 1 123 123 LEU CA C 123 58.005 58.005 58.211 -0.206 18261 669 1 1 . 1 1 123 123 LEU CB C 123 42.580 42.580 41.672 0.908 18261 670 1 1 . 1 1 123 123 LEU H H 123 8.131 8.131 8.019 0.112 18261 671 1 1 . 1 1 124 124 VAL N N 124 118.543 118.543 120.743 -2.200 18261 672 1 1 . 1 1 124 124 VAL HA H 124 3.560 3.560 3.703 -0.143 18261 673 1 1 . 1 1 124 124 VAL C C 124 177.453 177.453 178.458 -1.005 18261 674 1 1 . 1 1 124 124 VAL CA C 124 67.297 67.297 67.109 0.188 18261 675 1 1 . 1 1 124 124 VAL CB C 124 31.526 31.526 31.437 0.089 18261 676 1 1 . 1 1 124 124 VAL H H 124 8.732 8.732 8.842 -0.110 18261 677 1 1 . 1 1 125 125 SER N N 125 112.449 112.449 114.283 -1.834 18261 678 1 1 . 1 1 125 125 SER HA H 125 4.044 4.044 4.144 -0.100 18261 679 1 1 . 1 1 125 125 SER C C 125 175.937 175.937 176.606 -0.669 18261 680 1 1 . 1 1 125 125 SER CA C 125 62.356 62.356 61.959 0.397 18261 681 1 1 . 1 1 125 125 SER CB C 125 62.890 62.890 62.972 -0.083 18261 682 1 1 . 1 1 125 125 SER H H 125 7.863 7.863 7.888 -0.025 18261 683 1 1 . 1 1 126 126 MET N N 126 120.797 120.797 121.716 -0.919 18261 684 1 1 . 1 1 126 126 MET HA H 126 4.051 4.051 4.133 -0.082 18261 685 1 1 . 1 1 126 126 MET C C 126 179.254 179.254 177.687 1.567 18261 686 1 1 . 1 1 126 126 MET CA C 126 58.939 58.939 58.787 0.152 18261 687 1 1 . 1 1 126 126 MET CB C 126 32.625 32.625 32.625 -0.000 18261 688 1 1 . 1 1 126 126 MET H H 126 8.033 8.033 7.707 0.326 18261 689 1 1 . 1 1 127 127 PHE N N 127 118.244 118.244 117.921 0.323 18261 690 1 1 . 1 1 127 127 PHE HA H 127 4.398 4.398 4.191 0.207 18261 691 1 1 . 1 1 127 127 PHE C C 127 178.128 178.128 176.810 1.318 18261 692 1 1 . 1 1 127 127 PHE CA C 127 59.991 59.991 60.790 -0.799 18261 693 1 1 . 1 1 127 127 PHE CB C 127 38.584 38.584 38.494 0.090 18261 694 1 1 . 1 1 127 127 PHE H H 127 8.753 8.753 8.480 0.273 18261 695 1 1 . 1 1 128 128 ALA N N 128 120.518 120.518 120.177 0.341 18261 696 1 1 . 1 1 128 128 ALA HA H 128 4.152 4.152 4.111 0.041 18261 697 1 1 . 1 1 128 128 ALA C C 128 178.789 178.789 180.288 -1.499 18261 698 1 1 . 1 1 128 128 ALA CA C 128 54.570 54.570 54.751 -0.181 18261 699 1 1 . 1 1 128 128 ALA CB C 128 19.373 19.373 18.569 0.804 18261 700 1 1 . 1 1 128 128 ALA H H 128 8.681 8.681 8.217 0.464 18261 701 1 1 . 1 1 129 129 GLN N N 129 115.315 115.315 118.488 -3.173 18261 702 1 1 . 1 1 129 129 GLN HA H 129 4.197 4.197 4.059 0.138 18261 703 1 1 . 1 1 129 129 GLN C C 129 177.258 177.258 177.762 -0.504 18261 704 1 1 . 1 1 129 129 GLN CA C 129 57.519 57.519 58.442 -0.923 18261 705 1 1 . 1 1 129 129 GLN CB C 129 29.271 29.271 28.242 1.029 18261 706 1 1 . 1 1 129 129 GLN H H 129 7.835 7.835 8.055 -0.220 18261 707 1 1 . 1 1 130 130 ALA N N 130 121.556 121.556 119.308 2.248 18261 708 1 1 . 1 1 130 130 ALA HA H 130 4.285 4.285 4.643 -0.358 18261 709 1 1 . 1 1 130 130 ALA C C 130 178.564 178.564 178.007 0.557 18261 710 1 1 . 1 1 130 130 ALA CA C 130 53.823 53.823 52.505 1.319 18261 711 1 1 . 1 1 130 130 ALA CB C 130 19.058 19.058 18.821 0.237 18261 712 1 1 . 1 1 130 130 ALA H H 130 7.758 7.758 7.357 0.401 18261 713 1 1 . 1 1 131 131 GLY N N 131 105.780 105.780 106.164 -0.384 18261 714 1 1 . 1 1 131 131 GLY C C 131 173.970 173.970 175.308 -1.338 18261 715 1 1 . 1 1 131 131 GLY CA C 131 45.702 45.702 45.312 0.390 18261 716 1 1 . 1 1 131 131 GLY H H 131 8.222 8.222 7.901 0.321 18261 717 1 1 . 1 1 132 132 MET N N 132 118.358 118.358 118.548 -0.190 18261 718 1 1 . 1 1 132 132 MET HA H 132 4.540 4.540 4.397 0.143 18261 719 1 1 . 1 1 132 132 MET C C 132 175.952 175.952 176.087 -0.135 18261 720 1 1 . 1 1 132 132 MET CA C 132 55.611 55.611 57.228 -1.617 18261 721 1 1 . 1 1 132 132 MET CB C 132 33.473 33.473 33.538 -0.065 18261 722 1 1 . 1 1 132 132 MET H H 132 7.763 7.763 7.520 0.243 18261 723 1 1 . 1 1 133 133 ASN N N 133 119.002 119.002 117.729 1.273 18261 724 1 1 . 1 1 133 133 ASN HA H 133 4.725 4.725 4.951 -0.226 18261 725 1 1 . 1 1 133 133 ASN C C 133 174.646 174.646 173.833 0.813 18261 726 1 1 . 1 1 133 133 ASN CA C 133 53.512 53.512 51.667 1.845 18261 727 1 1 . 1 1 133 133 ASN CB C 133 39.301 39.301 39.950 -0.649 18261 728 1 1 . 1 1 133 133 ASN H H 133 8.289 8.289 7.773 0.516 18261 729 1 1 . 1 1 134 134 ASP N N 134 120.907 120.907 122.379 -1.472 18261 730 1 1 . 1 1 134 134 ASP HA H 134 4.659 4.659 4.644 0.015 18261 731 1 1 . 1 1 134 134 ASP C C 134 176.162 176.162 175.439 0.723 18261 732 1 1 . 1 1 134 134 ASP CA C 134 54.379 54.379 55.779 -1.400 18261 733 1 1 . 1 1 134 134 ASP CB C 134 41.291 41.291 39.314 1.977 18261 734 1 1 . 1 1 134 134 ASP H H 134 8.364 8.364 8.798 -0.434 18261 735 1 1 . 1 1 135 135 VAL N N 135 119.971 119.971 120.723 -0.752 18261 736 1 1 . 1 1 135 135 VAL HA H 135 4.214 4.214 4.182 0.032 18261 737 1 1 . 1 1 135 135 VAL C C 135 176.162 176.162 176.047 0.115 18261 738 1 1 . 1 1 135 135 VAL CA C 135 62.157 62.157 62.001 0.156 18261 739 1 1 . 1 1 135 135 VAL CB C 135 32.644 32.644 32.722 -0.078 18261 740 1 1 . 1 1 135 135 VAL H H 135 8.118 8.118 8.048 0.070 18261 741 1 1 . 1 1 136 136 SER N N 136 119.918 119.918 116.301 3.617 18261 742 1 1 . 1 1 136 136 SER HA H 136 4.462 4.462 4.581 -0.119 18261 743 1 1 . 1 1 136 136 SER C C 136 173.325 173.325 175.053 -1.728 18261 744 1 1 . 1 1 136 136 SER CA C 136 58.342 58.342 58.150 0.192 18261 745 1 1 . 1 1 136 136 SER CB C 136 64.041 64.041 63.862 0.179 18261 746 1 1 . 1 1 136 136 SER H H 136 8.410 8.410 8.219 0.191 18261 747 1 2 . 1 1 3 3 GLY CA C 3 45.200 45.200 45.201 -0.001 18261 748 1 2 . 1 1 4 4 ASN N N 4 124.083 124.083 122.574 1.509 18261 749 1 2 . 1 1 4 4 ASN HA H 4 4.530 4.530 4.687 -0.157 18261 750 1 2 . 1 1 4 4 ASN C C 4 179.449 179.449 175.254 4.195 18261 751 1 2 . 1 1 4 4 ASN CA C 4 54.803 54.803 53.214 1.589 18261 752 1 2 . 1 1 4 4 ASN CB C 4 41.106 41.106 38.396 2.710 18261 753 1 2 . 1 1 4 4 ASN H H 4 7.981 7.981 8.543 -0.562 18261 754 1 2 . 1 1 6 6 HIS HA H 6 4.693 4.693 4.510 0.183 18261 755 1 2 . 1 1 6 6 HIS CA C 6 56.115 56.115 55.149 0.966 18261 756 1 2 . 1 1 6 6 HIS CB C 6 31.011 31.011 30.375 0.636 18261 757 1 2 . 1 1 7 7 THR N N 7 115.238 115.238 120.755 -5.517 18261 758 1 2 . 1 1 7 7 THR HA H 7 4.318 4.318 4.067 0.251 18261 759 1 2 . 1 1 7 7 THR C C 7 173.970 173.970 174.188 -0.218 18261 760 1 2 . 1 1 7 7 THR CA C 7 62.099 62.099 63.624 -1.525 18261 761 1 2 . 1 1 7 7 THR CB C 7 69.779 69.779 68.329 1.450 18261 762 1 2 . 1 1 7 7 THR H H 7 8.120 8.120 8.666 -0.546 18261 763 1 2 . 1 1 8 8 THR N N 8 115.713 115.713 123.973 -8.260 18261 764 1 2 . 1 1 8 8 THR HA H 8 4.146 4.146 4.217 -0.071 18261 765 1 2 . 1 1 8 8 THR C C 8 172.664 172.664 173.831 -1.167 18261 766 1 2 . 1 1 8 8 THR CA C 8 58.349 58.349 58.454 -0.105 18261 767 1 2 . 1 1 8 8 THR CB C 8 69.219 69.219 69.746 -0.527 18261 768 1 2 . 1 1 8 8 THR H H 8 7.977 7.977 8.091 -0.114 18261 769 1 2 . 1 1 9 9 PRO HA H 9 3.939 3.939 3.907 0.032 18261 770 1 2 . 1 1 9 9 PRO CA C 9 62.965 62.965 63.526 -0.562 18261 771 1 2 . 1 1 9 9 PRO CB C 9 30.610 30.610 30.756 -0.145 18261 772 1 2 . 1 1 10 10 TRP N N 10 111.487 111.487 115.506 -4.019 18261 773 1 2 . 1 1 10 10 TRP HA H 10 4.899 4.899 4.678 0.221 18261 774 1 2 . 1 1 10 10 TRP C C 10 175.817 175.817 177.026 -1.209 18261 775 1 2 . 1 1 10 10 TRP CA C 10 54.292 54.292 56.143 -1.851 18261 776 1 2 . 1 1 10 10 TRP CB C 10 31.219 31.219 29.624 1.595 18261 777 1 2 . 1 1 10 10 TRP H H 10 6.681 6.681 7.326 -0.645 18261 778 1 2 . 1 1 11 11 THR N N 11 106.120 106.120 110.162 -4.042 18261 779 1 2 . 1 1 11 11 THR HA H 11 3.905 3.905 4.185 -0.280 18261 780 1 2 . 1 1 11 11 THR C C 11 173.970 173.970 173.988 -0.018 18261 781 1 2 . 1 1 11 11 THR CA C 11 63.937 63.937 63.170 0.767 18261 782 1 2 . 1 1 11 11 THR CB C 11 69.242 69.242 68.846 0.396 18261 783 1 2 . 1 1 11 11 THR H H 11 7.189 7.189 7.252 -0.063 18261 784 1 2 . 1 1 12 12 ASN N N 12 116.403 116.403 118.421 -2.018 18261 785 1 2 . 1 1 12 12 ASN HA H 12 5.115 5.115 4.950 0.165 18261 786 1 2 . 1 1 12 12 ASN C C 12 172.889 172.889 173.875 -0.986 18261 787 1 2 . 1 1 12 12 ASN CA C 12 51.276 51.276 50.440 0.836 18261 788 1 2 . 1 1 12 12 ASN CB C 12 40.474 40.474 40.698 -0.224 18261 789 1 2 . 1 1 12 12 ASN H H 12 7.282 7.282 7.493 -0.211 18261 790 1 2 . 1 1 13 13 PRO HA H 13 4.210 4.210 4.460 -0.250 18261 791 1 2 . 1 1 13 13 PRO CA C 13 65.516 65.516 65.448 0.068 18261 792 1 2 . 1 1 13 13 PRO CB C 13 32.418 32.418 32.215 0.203 18261 793 1 2 . 1 1 14 14 GLY N N 14 108.796 108.796 106.469 2.327 18261 794 1 2 . 1 1 14 14 GLY C C 14 175.952 175.952 176.237 -0.285 18261 795 1 2 . 1 1 14 14 GLY CA C 14 47.073 47.073 46.838 0.235 18261 796 1 2 . 1 1 14 14 GLY H H 14 8.363 8.363 8.250 0.113 18261 797 1 2 . 1 1 15 15 LEU N N 15 124.473 124.473 122.977 1.496 18261 798 1 2 . 1 1 15 15 LEU HA H 15 4.335 4.335 4.107 0.228 18261 799 1 2 . 1 1 15 15 LEU C C 15 178.564 178.564 178.362 0.202 18261 800 1 2 . 1 1 15 15 LEU CA C 15 57.402 57.402 56.864 0.538 18261 801 1 2 . 1 1 15 15 LEU CB C 15 41.600 41.600 41.468 0.132 18261 802 1 2 . 1 1 15 15 LEU H H 15 7.890 7.890 7.723 0.167 18261 803 1 2 . 1 1 16 16 ALA N N 16 121.371 121.371 122.187 -0.816 18261 804 1 2 . 1 1 16 16 ALA HA H 16 4.000 4.000 4.204 -0.204 18261 805 1 2 . 1 1 16 16 ALA C C 16 179.104 179.104 179.710 -0.606 18261 806 1 2 . 1 1 16 16 ALA CA C 16 56.360 56.360 55.353 1.007 18261 807 1 2 . 1 1 16 16 ALA CB C 16 19.351 19.351 18.695 0.656 18261 808 1 2 . 1 1 16 16 ALA H H 16 8.429 8.429 8.245 0.184 18261 809 1 2 . 1 1 17 17 GLU N N 17 117.199 117.199 117.130 0.069 18261 810 1 2 . 1 1 17 17 GLU HA H 17 3.964 3.964 4.017 -0.053 18261 811 1 2 . 1 1 17 17 GLU C C 17 177.993 177.993 178.927 -0.934 18261 812 1 2 . 1 1 17 17 GLU CA C 17 59.543 59.543 59.001 0.542 18261 813 1 2 . 1 1 17 17 GLU CB C 17 29.932 29.932 29.305 0.627 18261 814 1 2 . 1 1 17 17 GLU H H 17 8.030 8.030 8.070 -0.040 18261 815 1 2 . 1 1 18 18 ASN N N 18 118.433 118.433 119.087 -0.654 18261 816 1 2 . 1 1 18 18 ASN HA H 18 4.546 4.546 4.582 -0.036 18261 817 1 2 . 1 1 18 18 ASN C C 18 178.347 178.347 177.403 0.944 18261 818 1 2 . 1 1 18 18 ASN CA C 18 56.226 56.226 55.539 0.687 18261 819 1 2 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.345 -0.221 18261 820 1 2 . 1 1 18 18 ASN H H 18 8.075 8.075 7.988 0.087 18261 821 1 2 . 1 1 19 19 PHE N N 19 122.078 122.078 123.822 -1.744 18261 822 1 2 . 1 1 19 19 PHE HA H 19 3.881 3.881 4.194 -0.313 18261 823 1 2 . 1 1 19 19 PHE C C 19 176.837 176.837 177.114 -0.277 18261 824 1 2 . 1 1 19 19 PHE CA C 19 62.230 62.230 61.618 0.612 18261 825 1 2 . 1 1 19 19 PHE CB C 19 39.450 39.450 39.066 0.384 18261 826 1 2 . 1 1 19 19 PHE H H 19 9.623 9.623 8.705 0.918 18261 827 1 2 . 1 1 20 20 MET N N 20 118.264 118.264 117.128 1.136 18261 828 1 2 . 1 1 20 20 MET HA H 20 4.424 4.424 4.124 0.300 18261 829 1 2 . 1 1 20 20 MET C C 20 178.924 178.924 178.835 0.089 18261 830 1 2 . 1 1 20 20 MET CA C 20 57.480 57.480 57.462 0.018 18261 831 1 2 . 1 1 20 20 MET CB C 20 31.929 31.929 31.078 0.851 18261 832 1 2 . 1 1 20 20 MET H H 20 8.865 8.865 8.234 0.631 18261 833 1 2 . 1 1 21 21 ASN N N 21 118.455 118.455 118.872 -0.417 18261 834 1 2 . 1 1 21 21 ASN HA H 21 4.542 4.542 4.431 0.111 18261 835 1 2 . 1 1 21 21 ASN C C 21 178.249 178.249 177.734 0.515 18261 836 1 2 . 1 1 21 21 ASN CA C 21 56.305 56.305 57.082 -0.777 18261 837 1 2 . 1 1 21 21 ASN CB C 21 37.916 37.916 38.498 -0.582 18261 838 1 2 . 1 1 21 21 ASN H H 21 8.453 8.453 7.976 0.477 18261 839 1 2 . 1 1 22 22 SER N N 22 116.036 116.036 115.600 0.436 18261 840 1 2 . 1 1 22 22 SER HA H 22 4.196 4.196 4.240 -0.044 18261 841 1 2 . 1 1 22 22 SER C C 22 178.143 178.143 176.369 1.774 18261 842 1 2 . 1 1 22 22 SER CA C 22 62.256 62.256 60.872 1.384 18261 843 1 2 . 1 1 22 22 SER CB C 22 62.870 62.870 63.032 -0.162 18261 844 1 2 . 1 1 22 22 SER H H 22 7.959 7.959 8.099 -0.140 18261 845 1 2 . 1 1 23 23 PHE N N 23 124.987 124.987 124.432 0.555 18261 846 1 2 . 1 1 23 23 PHE HA H 23 4.005 4.005 4.064 -0.059 18261 847 1 2 . 1 1 23 23 PHE C C 23 175.652 175.652 176.950 -1.298 18261 848 1 2 . 1 1 23 23 PHE CA C 23 60.525 60.525 61.028 -0.503 18261 849 1 2 . 1 1 23 23 PHE CB C 23 38.899 38.899 38.761 0.138 18261 850 1 2 . 1 1 23 23 PHE H H 23 9.045 9.045 8.473 0.572 18261 851 1 2 . 1 1 24 24 MET N N 24 117.260 117.260 116.739 0.521 18261 852 1 2 . 1 1 24 24 MET HA H 24 4.040 4.040 3.694 0.346 18261 853 1 2 . 1 1 24 24 MET C C 24 179.797 179.797 178.593 1.204 18261 854 1 2 . 1 1 24 24 MET CA C 24 56.047 56.047 58.343 -2.296 18261 855 1 2 . 1 1 24 24 MET CB C 24 30.308 30.308 31.513 -1.205 18261 856 1 2 . 1 1 24 24 MET H H 24 8.302 8.302 8.433 -0.131 18261 857 1 2 . 1 1 25 25 GLN N N 25 120.167 120.167 118.719 1.448 18261 858 1 2 . 1 1 25 25 GLN HA H 25 3.985 3.985 4.120 -0.135 18261 859 1 2 . 1 1 25 25 GLN C C 25 179.870 179.870 178.767 1.103 18261 860 1 2 . 1 1 25 25 GLN CA C 25 59.136 59.136 58.639 0.497 18261 861 1 2 . 1 1 25 25 GLN CB C 25 28.234 28.234 28.294 -0.060 18261 862 1 2 . 1 1 25 25 GLN H H 25 8.038 8.038 7.834 0.204 18261 863 1 2 . 1 1 26 26 GLY N N 26 107.636 107.636 106.599 1.037 18261 864 1 2 . 1 1 26 26 GLY C C 26 176.387 176.387 176.770 -0.383 18261 865 1 2 . 1 1 26 26 GLY CA C 26 46.911 46.911 46.026 0.885 18261 866 1 2 . 1 1 26 26 GLY H H 26 8.095 8.095 8.134 -0.039 18261 867 1 2 . 1 1 27 27 LEU N N 27 122.877 122.877 123.245 -0.368 18261 868 1 2 . 1 1 27 27 LEU HA H 27 3.783 3.783 4.084 -0.301 18261 869 1 2 . 1 1 27 27 LEU C C 27 178.564 178.564 178.593 -0.029 18261 870 1 2 . 1 1 27 27 LEU CA C 27 57.262 57.262 56.755 0.507 18261 871 1 2 . 1 1 27 27 LEU CB C 27 42.076 42.076 41.706 0.370 18261 872 1 2 . 1 1 27 27 LEU H H 27 8.369 8.369 8.069 0.300 18261 873 1 2 . 1 1 28 28 SER N N 28 109.474 109.474 113.561 -4.087 18261 874 1 2 . 1 1 28 28 SER HA H 28 4.138 4.138 4.258 -0.120 18261 875 1 2 . 1 1 28 28 SER C C 28 174.421 174.421 175.261 -0.840 18261 876 1 2 . 1 1 28 28 SER CA C 28 61.153 61.153 60.783 0.370 18261 877 1 2 . 1 1 28 28 SER CB C 28 63.320 63.320 62.921 0.399 18261 878 1 2 . 1 1 28 28 SER H H 28 7.527 7.527 8.295 -0.768 18261 879 1 2 . 1 1 29 29 SER N N 29 114.550 114.550 115.636 -1.086 18261 880 1 2 . 1 1 29 29 SER HA H 29 4.734 4.734 4.545 0.189 18261 881 1 2 . 1 1 29 29 SER C C 29 173.970 173.970 174.002 -0.032 18261 882 1 2 . 1 1 29 29 SER CA C 29 57.927 57.927 58.757 -0.830 18261 883 1 2 . 1 1 29 29 SER CB C 29 64.500 64.500 63.767 0.733 18261 884 1 2 . 1 1 29 29 SER H H 29 7.449 7.449 7.563 -0.114 18261 885 1 2 . 1 1 30 30 MET N N 30 122.420 122.420 121.643 0.777 18261 886 1 2 . 1 1 30 30 MET HA H 30 4.952 4.952 4.979 -0.027 18261 887 1 2 . 1 1 30 30 MET C C 30 174.195 174.195 174.505 -0.310 18261 888 1 2 . 1 1 30 30 MET CA C 30 53.638 53.638 51.587 2.051 18261 889 1 2 . 1 1 30 30 MET CB C 30 32.305 32.305 31.962 0.343 18261 890 1 2 . 1 1 30 30 MET H H 30 7.674 7.674 7.745 -0.071 18261 891 1 2 . 1 1 31 31 PRO HA H 31 4.669 4.669 4.480 0.189 18261 892 1 2 . 1 1 31 31 PRO CA C 31 62.880 62.880 63.799 -0.919 18261 893 1 2 . 1 1 31 31 PRO CB C 31 32.742 32.742 31.839 0.903 18261 894 1 2 . 1 1 32 32 GLY N N 32 106.222 106.222 105.085 1.137 18261 895 1 2 . 1 1 32 32 GLY C C 32 172.454 172.454 173.448 -0.994 18261 896 1 2 . 1 1 32 32 GLY CA C 32 45.608 45.608 45.617 -0.009 18261 897 1 2 . 1 1 32 32 GLY H H 32 8.415 8.415 8.389 0.026 18261 898 1 2 . 1 1 33 33 PHE N N 33 116.404 116.404 116.825 -0.421 18261 899 1 2 . 1 1 33 33 PHE HA H 33 5.167 5.167 5.377 -0.210 18261 900 1 2 . 1 1 33 33 PHE C C 33 176.387 176.387 174.865 1.522 18261 901 1 2 . 1 1 33 33 PHE CA C 33 56.750 56.750 56.832 -0.082 18261 902 1 2 . 1 1 33 33 PHE CB C 33 42.080 42.080 42.705 -0.624 18261 903 1 2 . 1 1 33 33 PHE H H 33 7.871 7.871 7.518 0.353 18261 904 1 2 . 1 1 34 34 THR N N 34 113.684 113.684 114.842 -1.158 18261 905 1 2 . 1 1 34 34 THR HA H 34 4.545 4.545 4.641 -0.096 18261 906 1 2 . 1 1 34 34 THR C C 34 175.066 175.066 175.151 -0.085 18261 907 1 2 . 1 1 34 34 THR CA C 34 60.339 60.339 59.300 1.039 18261 908 1 2 . 1 1 34 34 THR CB C 34 70.381 70.381 71.597 -1.216 18261 909 1 2 . 1 1 34 34 THR H H 34 8.899 8.899 8.323 0.576 18261 910 1 2 . 1 1 35 35 ALA N N 35 122.927 122.927 126.155 -3.228 18261 911 1 2 . 1 1 35 35 ALA HA H 35 4.092 4.092 4.143 -0.051 18261 912 1 2 . 1 1 35 35 ALA C C 35 180.755 180.755 179.590 1.165 18261 913 1 2 . 1 1 35 35 ALA CA C 35 55.827 55.827 55.404 0.423 18261 914 1 2 . 1 1 35 35 ALA CB C 35 18.098 18.098 18.573 -0.475 18261 915 1 2 . 1 1 35 35 ALA H H 35 8.864 8.864 8.846 0.018 18261 916 1 2 . 1 1 36 36 SER N N 36 112.708 112.708 114.070 -1.362 18261 917 1 2 . 1 1 36 36 SER HA H 36 4.276 4.276 4.143 0.133 18261 918 1 2 . 1 1 36 36 SER C C 36 177.033 177.033 176.831 0.202 18261 919 1 2 . 1 1 36 36 SER CA C 36 61.403 61.403 62.044 -0.641 18261 920 1 2 . 1 1 36 36 SER CB C 36 62.371 62.371 62.902 -0.531 18261 921 1 2 . 1 1 36 36 SER H H 36 8.389 8.389 8.162 0.227 18261 922 1 2 . 1 1 37 37 GLN N N 37 121.595 121.595 121.782 -0.187 18261 923 1 2 . 1 1 37 37 GLN HA H 37 4.272 4.272 4.175 0.097 18261 924 1 2 . 1 1 37 37 GLN C C 37 179.149 179.149 178.742 0.407 18261 925 1 2 . 1 1 37 37 GLN CA C 37 58.638 58.638 58.786 -0.148 18261 926 1 2 . 1 1 37 37 GLN CB C 37 29.123 29.123 28.635 0.488 18261 927 1 2 . 1 1 37 37 GLN H H 37 7.621 7.621 7.780 -0.159 18261 928 1 2 . 1 1 38 38 LEU N N 38 119.852 119.852 120.786 -0.934 18261 929 1 2 . 1 1 38 38 LEU HA H 38 3.838 3.838 3.811 0.027 18261 930 1 2 . 1 1 38 38 LEU C C 38 179.675 179.675 178.723 0.952 18261 931 1 2 . 1 1 38 38 LEU CA C 38 57.929 57.929 58.269 -0.340 18261 932 1 2 . 1 1 38 38 LEU CB C 38 40.918 40.918 41.423 -0.505 18261 933 1 2 . 1 1 38 38 LEU H H 38 8.341 8.341 8.368 -0.027 18261 934 1 2 . 1 1 39 39 ASP N N 39 122.065 122.065 120.011 2.054 18261 935 1 2 . 1 1 39 39 ASP HA H 39 4.439 4.439 4.278 0.161 18261 936 1 2 . 1 1 39 39 ASP C C 39 179.224 179.224 178.516 0.708 18261 937 1 2 . 1 1 39 39 ASP CA C 39 57.710 57.710 58.026 -0.316 18261 938 1 2 . 1 1 39 39 ASP CB C 39 40.245 40.245 40.775 -0.530 18261 939 1 2 . 1 1 39 39 ASP H H 39 7.955 7.955 8.062 -0.107 18261 940 1 2 . 1 1 40 40 ASP N N 40 121.957 121.957 120.210 1.747 18261 941 1 2 . 1 1 40 40 ASP HA H 40 4.483 4.483 4.413 0.070 18261 942 1 2 . 1 1 40 40 ASP C C 40 179.600 179.600 178.562 1.038 18261 943 1 2 . 1 1 40 40 ASP CA C 40 57.745 57.745 57.497 0.248 18261 944 1 2 . 1 1 40 40 ASP CB C 40 40.190 40.190 40.840 -0.650 18261 945 1 2 . 1 1 40 40 ASP H H 40 8.022 8.022 8.036 -0.014 18261 946 1 2 . 1 1 41 41 MET N N 41 121.160 121.160 119.911 1.249 18261 947 1 2 . 1 1 41 41 MET HA H 41 4.204 4.204 4.135 0.069 18261 948 1 2 . 1 1 41 41 MET C C 41 177.693 177.693 178.141 -0.448 18261 949 1 2 . 1 1 41 41 MET CA C 41 57.634 57.634 58.982 -1.348 18261 950 1 2 . 1 1 41 41 MET CB C 41 31.422 31.422 32.772 -1.350 18261 951 1 2 . 1 1 41 41 MET H H 41 8.668 8.668 8.177 0.491 18261 952 1 2 . 1 1 42 42 SER N N 42 116.421 116.421 114.452 1.969 18261 953 1 2 . 1 1 42 42 SER HA H 42 4.304 4.304 4.184 0.120 18261 954 1 2 . 1 1 42 42 SER C C 42 177.483 177.483 176.844 0.639 18261 955 1 2 . 1 1 42 42 SER CA C 42 62.075 62.075 62.117 -0.042 18261 956 1 2 . 1 1 42 42 SER CB C 42 62.765 62.765 63.080 -0.315 18261 957 1 2 . 1 1 42 42 SER H H 42 8.375 8.375 8.629 -0.254 18261 958 1 2 . 1 1 43 43 THR N N 43 118.797 118.797 118.735 0.062 18261 959 1 2 . 1 1 43 43 THR HA H 43 4.042 4.042 4.076 -0.034 18261 960 1 2 . 1 1 43 43 THR C C 43 177.258 177.258 176.708 0.550 18261 961 1 2 . 1 1 43 43 THR CA C 43 66.584 66.584 66.456 0.128 18261 962 1 2 . 1 1 43 43 THR CB C 43 68.490 68.490 68.657 -0.167 18261 963 1 2 . 1 1 43 43 THR H H 43 7.928 7.928 7.678 0.250 18261 964 1 2 . 1 1 44 44 ILE N N 44 122.960 122.960 121.446 1.514 18261 965 1 2 . 1 1 44 44 ILE HA H 44 3.930 3.930 3.900 0.030 18261 966 1 2 . 1 1 44 44 ILE C C 44 178.564 178.564 178.083 0.481 18261 967 1 2 . 1 1 44 44 ILE CA C 44 64.483 64.483 62.307 2.176 18261 968 1 2 . 1 1 44 44 ILE CB C 44 38.015 38.015 36.225 1.790 18261 969 1 2 . 1 1 44 44 ILE H H 44 7.863 7.863 8.228 -0.365 18261 970 1 2 . 1 1 45 45 ALA N N 45 124.792 124.792 122.270 2.522 18261 971 1 2 . 1 1 45 45 ALA HA H 45 4.122 4.122 4.021 0.101 18261 972 1 2 . 1 1 45 45 ALA C C 45 179.404 179.404 179.708 -0.304 18261 973 1 2 . 1 1 45 45 ALA CA C 45 56.009 56.009 55.199 0.810 18261 974 1 2 . 1 1 45 45 ALA CB C 45 18.908 18.908 18.372 0.536 18261 975 1 2 . 1 1 45 45 ALA H H 45 8.853 8.853 8.427 0.426 18261 976 1 2 . 1 1 46 46 GLN N N 46 116.307 116.307 117.744 -1.437 18261 977 1 2 . 1 1 46 46 GLN HA H 46 4.068 4.068 4.050 0.018 18261 978 1 2 . 1 1 46 46 GLN C C 46 179.014 179.014 178.669 0.345 18261 979 1 2 . 1 1 46 46 GLN CA C 46 58.903 58.903 58.487 0.416 18261 980 1 2 . 1 1 46 46 GLN CB C 46 28.250 28.250 27.794 0.456 18261 981 1 2 . 1 1 46 46 GLN H H 46 8.238 8.238 8.009 0.229 18261 982 1 2 . 1 1 47 47 SER N N 47 115.959 115.959 116.101 -0.142 18261 983 1 2 . 1 1 47 47 SER HA H 47 4.261 4.261 4.075 0.186 18261 984 1 2 . 1 1 47 47 SER C C 47 177.483 177.483 176.275 1.208 18261 985 1 2 . 1 1 47 47 SER CA C 47 61.526 61.526 61.722 -0.196 18261 986 1 2 . 1 1 47 47 SER CB C 47 62.842 62.842 62.763 0.079 18261 987 1 2 . 1 1 47 47 SER H H 47 8.223 8.223 7.491 0.732 18261 988 1 2 . 1 1 48 48 MET N N 48 121.963 121.963 122.233 -0.270 18261 989 1 2 . 1 1 48 48 MET HA H 48 4.110 4.110 4.088 0.022 18261 990 1 2 . 1 1 48 48 MET C C 48 177.798 177.798 177.570 0.228 18261 991 1 2 . 1 1 48 48 MET CA C 48 57.531 57.531 58.122 -0.591 18261 992 1 2 . 1 1 48 48 MET CB C 48 31.169 31.169 32.070 -0.901 18261 993 1 2 . 1 1 48 48 MET H H 48 8.245 8.245 7.444 0.801 18261 994 1 2 . 1 1 49 49 VAL N N 49 119.045 119.045 120.279 -1.234 18261 995 1 2 . 1 1 49 49 VAL HA H 49 3.300 3.300 3.518 -0.218 18261 996 1 2 . 1 1 49 49 VAL C C 49 177.910 177.910 178.319 -0.409 18261 997 1 2 . 1 1 49 49 VAL CA C 49 67.811 67.811 67.485 0.326 18261 998 1 2 . 1 1 49 49 VAL CB C 49 31.370 31.370 31.276 0.094 18261 999 1 2 . 1 1 49 49 VAL H H 49 7.809 7.809 8.388 -0.579 18261 1000 1 2 . 1 1 50 50 GLN N N 50 118.357 118.357 118.011 0.346 18261 1001 1 2 . 1 1 50 50 GLN HA H 50 4.091 4.091 4.017 0.074 18261 1002 1 2 . 1 1 50 50 GLN C C 50 179.449 179.449 178.660 0.789 18261 1003 1 2 . 1 1 50 50 GLN CA C 50 59.056 59.056 58.949 0.107 18261 1004 1 2 . 1 1 50 50 GLN CB C 50 28.020 28.020 27.884 0.136 18261 1005 1 2 . 1 1 50 50 GLN H H 50 8.225 8.225 8.754 -0.529 18261 1006 1 2 . 1 1 51 51 SER N N 51 117.253 117.253 115.953 1.300 18261 1007 1 2 . 1 1 51 51 SER HA H 51 4.235 4.235 4.217 0.018 18261 1008 1 2 . 1 1 51 51 SER C C 51 176.374 176.374 176.623 -0.249 18261 1009 1 2 . 1 1 51 51 SER CA C 51 62.752 62.752 62.311 0.441 18261 1010 1 2 . 1 1 51 51 SER CB C 51 62.963 62.963 62.697 0.266 18261 1011 1 2 . 1 1 51 51 SER H H 51 8.328 8.328 7.508 0.820 18261 1012 1 2 . 1 1 52 52 ILE N N 52 123.114 123.114 123.059 0.055 18261 1013 1 2 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.606 -0.007 18261 1014 1 2 . 1 1 52 52 ILE C C 52 178.684 178.684 177.622 1.062 18261 1015 1 2 . 1 1 52 52 ILE CA C 52 64.736 64.736 65.575 -0.839 18261 1016 1 2 . 1 1 52 52 ILE CB C 52 37.838 37.838 37.362 0.476 18261 1017 1 2 . 1 1 52 52 ILE H H 52 8.147 8.147 7.990 0.157 18261 1018 1 2 . 1 1 53 53 GLN N N 53 120.011 120.011 118.555 1.456 18261 1019 1 2 . 1 1 53 53 GLN HA H 53 3.946 3.946 3.987 -0.041 18261 1020 1 2 . 1 1 53 53 GLN C C 53 179.014 179.014 178.268 0.746 18261 1021 1 2 . 1 1 53 53 GLN CA C 53 59.501 59.501 59.043 0.458 18261 1022 1 2 . 1 1 53 53 GLN CB C 53 27.901 27.901 28.137 -0.236 18261 1023 1 2 . 1 1 53 53 GLN H H 53 8.583 8.583 8.573 0.010 18261 1024 1 2 . 1 1 54 54 SER N N 54 115.479 115.479 114.952 0.527 18261 1025 1 2 . 1 1 54 54 SER HA H 54 4.302 4.302 4.351 -0.049 18261 1026 1 2 . 1 1 54 54 SER C C 54 176.822 176.822 176.167 0.655 18261 1027 1 2 . 1 1 54 54 SER CA C 54 61.492 61.492 61.214 0.278 18261 1028 1 2 . 1 1 54 54 SER CB C 54 62.880 62.880 63.127 -0.247 18261 1029 1 2 . 1 1 54 54 SER H H 54 8.271 8.271 7.386 0.885 18261 1030 1 2 . 1 1 55 55 LEU N N 55 121.519 121.519 123.257 -1.738 18261 1031 1 2 . 1 1 55 55 LEU HA H 55 4.068 4.068 4.029 0.039 18261 1032 1 2 . 1 1 55 55 LEU C C 55 179.434 179.434 177.662 1.772 18261 1033 1 2 . 1 1 55 55 LEU CA C 55 57.793 57.793 57.966 -0.173 18261 1034 1 2 . 1 1 55 55 LEU CB C 55 42.245 42.245 41.769 0.476 18261 1035 1 2 . 1 1 55 55 LEU H H 55 7.974 7.974 8.253 -0.279 18261 1036 1 2 . 1 1 56 56 ALA N N 56 121.040 121.040 119.662 1.378 18261 1037 1 2 . 1 1 56 56 ALA HA H 56 4.228 4.228 4.124 0.104 18261 1038 1 2 . 1 1 56 56 ALA C C 56 180.530 180.530 178.562 1.968 18261 1039 1 2 . 1 1 56 56 ALA CA C 56 54.331 54.331 54.363 -0.032 18261 1040 1 2 . 1 1 56 56 ALA CB C 56 18.075 18.075 18.561 -0.486 18261 1041 1 2 . 1 1 56 56 ALA H H 56 8.032 8.032 8.307 -0.275 18261 1042 1 2 . 1 1 57 57 ALA N N 57 121.325 121.325 120.199 1.126 18261 1043 1 2 . 1 1 57 57 ALA HA H 57 4.219 4.219 4.274 -0.055 18261 1044 1 2 . 1 1 57 57 ALA C C 57 179.344 179.344 179.103 0.241 18261 1045 1 2 . 1 1 57 57 ALA CA C 57 54.446 54.446 53.844 0.602 18261 1046 1 2 . 1 1 57 57 ALA CB C 57 18.470 18.470 18.901 -0.432 18261 1047 1 2 . 1 1 57 57 ALA H H 57 8.030 8.030 7.402 0.628 18261 1048 1 2 . 1 1 58 58 GLN N N 58 114.257 114.257 117.260 -3.003 18261 1049 1 2 . 1 1 58 58 GLN HA H 58 4.356 4.356 4.294 0.062 18261 1050 1 2 . 1 1 58 58 GLN C C 58 176.612 176.612 176.286 0.326 18261 1051 1 2 . 1 1 58 58 GLN CA C 58 55.957 55.957 55.436 0.521 18261 1052 1 2 . 1 1 58 58 GLN CB C 58 29.767 29.767 29.170 0.597 18261 1053 1 2 . 1 1 58 58 GLN H H 58 7.751 7.751 8.228 -0.477 18261 1054 1 2 . 1 1 59 59 GLY N N 59 108.304 108.304 107.187 1.117 18261 1055 1 2 . 1 1 59 59 GLY C C 59 174.856 174.856 174.565 0.291 18261 1056 1 2 . 1 1 59 59 GLY CA C 59 46.197 46.197 45.863 0.334 18261 1057 1 2 . 1 1 59 59 GLY H H 59 7.910 7.910 8.077 -0.167 18261 1058 1 2 . 1 1 60 60 ARG N N 60 118.258 118.258 116.216 2.042 18261 1059 1 2 . 1 1 60 60 ARG HA H 60 4.553 4.553 4.455 0.097 18261 1060 1 2 . 1 1 60 60 ARG C C 60 175.847 175.847 175.541 0.306 18261 1061 1 2 . 1 1 60 60 ARG CA C 60 55.658 55.658 54.752 0.906 18261 1062 1 2 . 1 1 60 60 ARG CB C 60 31.714 31.714 31.420 0.294 18261 1063 1 2 . 1 1 60 60 ARG H H 60 8.108 8.108 8.240 -0.132 18261 1064 1 2 . 1 1 61 61 THR N N 61 115.924 115.924 115.861 0.063 18261 1065 1 2 . 1 1 61 61 THR HA H 61 4.785 4.785 4.281 0.504 18261 1066 1 2 . 1 1 61 61 THR C C 61 173.654 173.654 173.296 0.358 18261 1067 1 2 . 1 1 61 61 THR CA C 61 63.140 63.140 62.868 0.272 18261 1068 1 2 . 1 1 61 61 THR CB C 61 68.602 68.602 69.462 -0.860 18261 1069 1 2 . 1 1 61 61 THR H H 61 7.970 7.970 7.526 0.444 18261 1070 1 2 . 1 1 62 62 SER N N 62 119.666 119.666 121.477 -1.811 18261 1071 1 2 . 1 1 62 62 SER HA H 62 4.902 4.902 4.867 0.035 18261 1072 1 2 . 1 1 62 62 SER C C 62 173.207 173.207 172.882 0.325 18261 1073 1 2 . 1 1 62 62 SER CA C 62 56.193 56.193 55.659 0.534 18261 1074 1 2 . 1 1 62 62 SER CB C 62 63.781 63.781 64.548 -0.767 18261 1075 1 2 . 1 1 62 62 SER H H 62 7.788 7.788 7.900 -0.112 18261 1076 1 2 . 1 1 63 63 PRO HA H 63 4.313 4.313 4.158 0.155 18261 1077 1 2 . 1 1 63 63 PRO CA C 63 65.746 65.746 65.876 -0.131 18261 1078 1 2 . 1 1 63 63 PRO CB C 63 32.147 32.147 32.250 -0.103 18261 1079 1 2 . 1 1 64 64 ASN HA H 64 4.550 4.550 4.500 0.050 18261 1080 1 2 . 1 1 64 64 ASN CA C 64 56.202 56.202 56.256 -0.054 18261 1081 1 2 . 1 1 64 64 ASN CB C 64 38.000 38.000 38.434 -0.434 18261 1082 1 2 . 1 1 65 65 LYS N N 65 120.530 120.530 120.692 -0.162 18261 1083 1 2 . 1 1 65 65 LYS HA H 65 4.197 4.197 4.064 0.133 18261 1084 1 2 . 1 1 65 65 LYS C C 65 178.999 178.999 179.031 -0.032 18261 1085 1 2 . 1 1 65 65 LYS CA C 65 58.250 58.250 59.208 -0.958 18261 1086 1 2 . 1 1 65 65 LYS CB C 65 32.498 32.498 32.127 0.371 18261 1087 1 2 . 1 1 65 65 LYS H H 65 7.770 7.770 7.818 -0.048 18261 1088 1 2 . 1 1 66 66 LEU N N 66 118.804 118.804 119.693 -0.889 18261 1089 1 2 . 1 1 66 66 LEU HA H 66 4.070 4.070 4.229 -0.159 18261 1090 1 2 . 1 1 66 66 LEU C C 66 178.928 178.928 179.065 -0.137 18261 1091 1 2 . 1 1 66 66 LEU CA C 66 57.928 57.928 57.185 0.743 18261 1092 1 2 . 1 1 66 66 LEU CB C 66 41.329 41.329 40.616 0.713 18261 1093 1 2 . 1 1 66 66 LEU H H 66 7.932 7.932 7.873 0.059 18261 1094 1 2 . 1 1 67 67 GLN N N 67 119.307 119.307 119.906 -0.599 18261 1095 1 2 . 1 1 67 67 GLN HA H 67 4.224 4.224 3.965 0.259 18261 1096 1 2 . 1 1 67 67 GLN C C 67 178.789 178.789 178.393 0.396 18261 1097 1 2 . 1 1 67 67 GLN CA C 67 58.862 58.862 59.469 -0.607 18261 1098 1 2 . 1 1 67 67 GLN CB C 67 28.052 28.052 28.704 -0.652 18261 1099 1 2 . 1 1 67 67 GLN H H 67 8.160 8.160 8.440 -0.280 18261 1100 1 2 . 1 1 68 68 ALA N N 68 122.124 122.124 122.115 0.009 18261 1101 1 2 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.128 0.062 18261 1102 1 2 . 1 1 68 68 ALA C C 68 180.320 180.320 179.584 0.736 18261 1103 1 2 . 1 1 68 68 ALA CA C 68 55.282 55.282 54.928 0.354 18261 1104 1 2 . 1 1 68 68 ALA CB C 68 18.251 18.251 18.495 -0.244 18261 1105 1 2 . 1 1 68 68 ALA H H 68 7.844 7.844 7.533 0.311 18261 1106 1 2 . 1 1 69 69 LEU N N 69 119.481 119.481 119.006 0.475 18261 1107 1 2 . 1 1 69 69 LEU HA H 69 3.912 3.912 3.713 0.199 18261 1108 1 2 . 1 1 69 69 LEU C C 69 178.864 178.864 178.914 -0.050 18261 1109 1 2 . 1 1 69 69 LEU CA C 69 57.904 57.904 57.790 0.114 18261 1110 1 2 . 1 1 69 69 LEU CB C 69 41.052 41.052 41.120 -0.068 18261 1111 1 2 . 1 1 69 69 LEU H H 69 7.819 7.819 8.359 -0.540 18261 1112 1 2 . 1 1 70 70 ASN N N 70 119.633 119.633 118.217 1.416 18261 1113 1 2 . 1 1 70 70 ASN HA H 70 4.553 4.553 4.672 -0.119 18261 1114 1 2 . 1 1 70 70 ASN C C 70 177.483 177.483 177.747 -0.264 18261 1115 1 2 . 1 1 70 70 ASN CA C 70 57.125 57.125 56.599 0.526 18261 1116 1 2 . 1 1 70 70 ASN CB C 70 38.392 38.392 38.536 -0.144 18261 1117 1 2 . 1 1 70 70 ASN H H 70 8.265 8.265 8.199 0.066 18261 1118 1 2 . 1 1 71 71 MET N N 71 118.024 118.024 119.676 -1.652 18261 1119 1 2 . 1 1 71 71 MET HA H 71 4.201 4.201 4.172 0.029 18261 1120 1 2 . 1 1 71 71 MET C C 71 178.279 178.279 178.321 -0.042 18261 1121 1 2 . 1 1 71 71 MET CA C 71 59.445 59.445 59.929 -0.484 18261 1122 1 2 . 1 1 71 71 MET CB C 71 32.313 32.313 32.749 -0.436 18261 1123 1 2 . 1 1 71 71 MET H H 71 8.098 8.098 7.688 0.410 18261 1124 1 2 . 1 1 72 72 ARG N N 72 121.985 121.985 119.685 2.300 18261 1125 1 2 . 1 1 72 72 ARG HA H 72 3.981 3.981 3.998 -0.017 18261 1126 1 2 . 1 1 72 72 ARG C C 72 179.059 179.059 179.042 0.017 18261 1127 1 2 . 1 1 72 72 ARG CA C 72 59.058 59.058 59.472 -0.414 18261 1128 1 2 . 1 1 72 72 ARG CB C 72 30.120 30.120 29.992 0.128 18261 1129 1 2 . 1 1 72 72 ARG H H 72 8.292 8.292 8.174 0.118 18261 1130 1 2 . 1 1 73 73 PHE N N 73 122.085 122.085 120.600 1.485 18261 1131 1 2 . 1 1 73 73 PHE HA H 73 4.529 4.529 4.063 0.466 18261 1132 1 2 . 1 1 73 73 PHE C C 73 177.258 177.258 176.580 0.678 18261 1133 1 2 . 1 1 73 73 PHE CA C 73 59.248 59.248 60.684 -1.436 18261 1134 1 2 . 1 1 73 73 PHE CB C 73 39.527 39.527 38.705 0.822 18261 1135 1 2 . 1 1 73 73 PHE H H 73 8.703 8.703 8.491 0.212 18261 1136 1 2 . 1 1 74 74 ALA N N 74 119.273 119.273 120.710 -1.437 18261 1137 1 2 . 1 1 74 74 ALA HA H 74 3.764 3.764 3.736 0.028 18261 1138 1 2 . 1 1 74 74 ALA C C 74 179.374 179.374 179.231 0.143 18261 1139 1 2 . 1 1 74 74 ALA CA C 74 55.324 55.324 55.083 0.241 18261 1140 1 2 . 1 1 74 74 ALA CB C 74 20.509 20.509 18.413 2.096 18261 1141 1 2 . 1 1 74 74 ALA H H 74 8.598 8.598 7.701 0.897 18261 1142 1 2 . 1 1 75 75 SER N N 75 113.611 113.611 114.228 -0.617 18261 1143 1 2 . 1 1 75 75 SER HA H 75 3.636 3.636 4.131 -0.495 18261 1144 1 2 . 1 1 75 75 SER CA C 75 61.936 61.936 61.320 0.616 18261 1145 1 2 . 1 1 75 75 SER CB C 75 61.869 61.869 62.642 -0.773 18261 1146 1 2 . 1 1 75 75 SER H H 75 8.780 8.780 8.312 0.468 18261 1147 1 2 . 1 1 76 76 SER N N 76 119.013 119.013 119.720 -0.707 18261 1148 1 2 . 1 1 76 76 SER HA H 76 4.310 4.310 4.439 -0.129 18261 1149 1 2 . 1 1 76 76 SER CA C 76 62.536 62.536 61.804 0.732 18261 1150 1 2 . 1 1 76 76 SER CB C 76 62.943 62.943 63.079 -0.136 18261 1151 1 2 . 1 1 76 76 SER H H 76 8.210 8.210 8.203 0.007 18261 1152 1 2 . 1 1 77 77 MET N N 77 120.105 120.105 121.157 -1.052 18261 1153 1 2 . 1 1 77 77 MET HA H 77 4.027 4.027 4.033 -0.006 18261 1154 1 2 . 1 1 77 77 MET C C 77 178.354 178.354 177.955 0.399 18261 1155 1 2 . 1 1 77 77 MET CA C 77 59.954 59.954 59.349 0.605 18261 1156 1 2 . 1 1 77 77 MET CB C 77 34.616 34.616 32.353 2.263 18261 1157 1 2 . 1 1 77 77 MET H H 77 8.005 8.005 7.572 0.433 18261 1158 1 2 . 1 1 78 78 ALA N N 78 121.530 121.530 122.780 -1.250 18261 1159 1 2 . 1 1 78 78 ALA HA H 78 3.933 3.933 4.037 -0.104 18261 1160 1 2 . 1 1 78 78 ALA C C 78 178.354 178.354 179.643 -1.289 18261 1161 1 2 . 1 1 78 78 ALA CA C 78 55.427 55.427 55.472 -0.045 18261 1162 1 2 . 1 1 78 78 ALA CB C 78 20.344 20.344 17.826 2.518 18261 1163 1 2 . 1 1 78 78 ALA H H 78 8.550 8.550 8.198 0.352 18261 1164 1 2 . 1 1 79 79 GLU N N 79 117.137 117.137 118.637 -1.500 18261 1165 1 2 . 1 1 79 79 GLU HA H 79 3.919 3.919 3.965 -0.046 18261 1166 1 2 . 1 1 79 79 GLU C C 79 178.894 178.894 179.166 -0.272 18261 1167 1 2 . 1 1 79 79 GLU CA C 79 59.445 59.445 59.350 0.095 18261 1168 1 2 . 1 1 79 79 GLU CB C 79 29.895 29.895 29.654 0.241 18261 1169 1 2 . 1 1 79 79 GLU H H 79 7.737 7.737 8.015 -0.278 18261 1170 1 2 . 1 1 80 80 ILE N N 80 118.063 118.063 119.474 -1.411 18261 1171 1 2 . 1 1 80 80 ILE HA H 80 3.932 3.932 3.807 0.125 18261 1172 1 2 . 1 1 80 80 ILE C C 80 179.014 179.014 178.693 0.321 18261 1173 1 2 . 1 1 80 80 ILE CA C 80 63.727 63.727 64.692 -0.965 18261 1174 1 2 . 1 1 80 80 ILE CB C 80 38.208 38.208 37.935 0.273 18261 1175 1 2 . 1 1 80 80 ILE H H 80 7.239 7.239 7.472 -0.233 18261 1176 1 2 . 1 1 81 81 ALA N N 81 121.494 121.494 122.334 -0.840 18261 1177 1 2 . 1 1 81 81 ALA HA H 81 3.961 3.961 4.225 -0.264 18261 1178 1 2 . 1 1 81 81 ALA C C 81 177.258 177.258 177.995 -0.737 18261 1179 1 2 . 1 1 81 81 ALA CA C 81 54.668 54.668 54.659 0.009 18261 1180 1 2 . 1 1 81 81 ALA CB C 81 17.887 17.887 18.905 -1.018 18261 1181 1 2 . 1 1 81 81 ALA H H 81 8.495 8.495 8.441 0.054 18261 1182 1 2 . 1 1 82 82 ALA N N 82 116.416 116.416 116.130 0.286 18261 1183 1 2 . 1 1 82 82 ALA HA H 82 4.316 4.316 4.306 0.010 18261 1184 1 2 . 1 1 82 82 ALA C C 82 177.693 177.693 177.456 0.237 18261 1185 1 2 . 1 1 82 82 ALA CA C 82 52.630 52.630 52.002 0.628 18261 1186 1 2 . 1 1 82 82 ALA CB C 82 19.224 19.224 19.948 -0.723 18261 1187 1 2 . 1 1 82 82 ALA H H 82 8.034 8.034 7.707 0.327 18261 1188 1 2 . 1 1 83 83 SER N N 83 112.672 112.672 116.335 -3.663 18261 1189 1 2 . 1 1 83 83 SER HA H 83 4.299 4.299 4.412 -0.113 18261 1190 1 2 . 1 1 83 83 SER C C 83 174.856 174.856 173.924 0.932 18261 1191 1 2 . 1 1 83 83 SER CA C 83 59.329 59.329 57.877 1.452 18261 1192 1 2 . 1 1 83 83 SER CB C 83 63.943 63.943 61.943 2.000 18261 1193 1 2 . 1 1 83 83 SER H H 83 7.437 7.437 7.500 -0.063 18261 1194 1 2 . 1 1 84 84 GLU N N 84 122.890 122.890 122.585 0.305 18261 1195 1 2 . 1 1 84 84 GLU HA H 84 4.420 4.420 3.994 0.426 18261 1196 1 2 . 1 1 84 84 GLU C C 84 176.597 176.597 175.368 1.229 18261 1197 1 2 . 1 1 84 84 GLU CA C 84 56.586 56.586 57.089 -0.503 18261 1198 1 2 . 1 1 84 84 GLU CB C 84 30.648 30.648 28.048 2.600 18261 1199 1 2 . 1 1 84 84 GLU H H 84 8.245 8.245 8.105 0.140 18261 1200 1 2 . 1 1 85 85 GLU N N 85 122.062 122.062 120.901 1.161 18261 1201 1 2 . 1 1 85 85 GLU HA H 85 4.285 4.285 4.344 -0.059 18261 1202 1 2 . 1 1 85 85 GLU C C 85 177.258 177.258 177.353 -0.095 18261 1203 1 2 . 1 1 85 85 GLU CA C 85 57.128 57.128 56.368 0.760 18261 1204 1 2 . 1 1 85 85 GLU CB C 85 30.121 30.121 30.098 0.023 18261 1205 1 2 . 1 1 85 85 GLU H H 85 8.477 8.477 8.043 0.433 18261 1206 1 2 . 1 1 86 86 GLY N N 86 110.431 110.431 112.730 -2.299 18261 1207 1 2 . 1 1 86 86 GLY C C 86 174.856 174.856 173.399 1.457 18261 1208 1 2 . 1 1 86 86 GLY CA C 86 45.654 45.654 44.551 1.103 18261 1209 1 2 . 1 1 86 86 GLY H H 86 8.563 8.563 8.881 -0.318 18261 1210 1 2 . 1 1 87 87 GLY N N 87 108.508 108.508 108.460 0.048 18261 1211 1 2 . 1 1 87 87 GLY C C 87 174.436 174.436 174.014 0.422 18261 1212 1 2 . 1 1 87 87 GLY CA C 87 45.396 45.396 45.135 0.261 18261 1213 1 2 . 1 1 87 87 GLY H H 87 8.274 8.274 7.477 0.797 18261 1214 1 2 . 1 1 88 88 GLY N N 88 107.821 107.821 108.808 -0.987 18261 1215 1 2 . 1 1 88 88 GLY C C 88 173.325 173.325 173.437 -0.112 18261 1216 1 2 . 1 1 88 88 GLY CA C 88 44.814 44.814 44.968 -0.154 18261 1217 1 2 . 1 1 88 88 GLY H H 88 8.105 8.105 8.576 -0.471 18261 1218 1 2 . 1 1 89 89 SER N N 89 115.747 115.747 114.595 1.152 18261 1219 1 2 . 1 1 89 89 SER HA H 89 4.582 4.582 4.470 0.112 18261 1220 1 2 . 1 1 89 89 SER C C 89 175.066 175.066 172.766 2.300 18261 1221 1 2 . 1 1 89 89 SER CA C 89 57.256 57.256 58.431 -1.175 18261 1222 1 2 . 1 1 89 89 SER CB C 89 65.130 65.130 63.872 1.258 18261 1223 1 2 . 1 1 89 89 SER H H 89 8.476 8.476 8.639 -0.163 18261 1224 1 2 . 1 1 90 90 LEU N N 90 124.735 124.735 128.813 -4.078 18261 1225 1 2 . 1 1 90 90 LEU HA H 90 4.106 4.106 4.325 -0.219 18261 1226 1 2 . 1 1 90 90 LEU C C 90 179.434 179.434 177.169 2.265 18261 1227 1 2 . 1 1 90 90 LEU CA C 90 58.434 58.434 56.630 1.804 18261 1228 1 2 . 1 1 90 90 LEU CB C 90 41.377 41.377 42.261 -0.884 18261 1229 1 2 . 1 1 90 90 LEU H H 90 8.860 8.860 8.834 0.026 18261 1230 1 2 . 1 1 91 91 SER N N 91 113.851 113.851 114.653 -0.802 18261 1231 1 2 . 1 1 91 91 SER C C 91 177.325 177.325 176.282 1.043 18261 1232 1 2 . 1 1 91 91 SER CA C 91 61.261 61.261 61.332 -0.071 18261 1233 1 2 . 1 1 91 91 SER CB C 91 62.010 62.010 62.870 -0.860 18261 1234 1 2 . 1 1 91 91 SER H H 91 8.537 8.537 8.440 0.097 18261 1235 1 2 . 1 1 92 92 THR N N 92 120.889 120.889 117.473 3.416 18261 1236 1 2 . 1 1 92 92 THR HA H 92 3.993 3.993 4.053 -0.060 18261 1237 1 2 . 1 1 92 92 THR C C 92 176.162 176.162 176.251 -0.089 18261 1238 1 2 . 1 1 92 92 THR CA C 92 66.467 66.467 66.397 0.071 18261 1239 1 2 . 1 1 92 92 THR CB C 92 68.285 68.285 68.610 -0.325 18261 1240 1 2 . 1 1 92 92 THR H H 92 7.795 7.795 7.781 0.014 18261 1241 1 2 . 1 1 93 93 LYS N N 93 120.210 120.210 121.671 -1.461 18261 1242 1 2 . 1 1 93 93 LYS HA H 93 3.798 3.798 3.745 0.053 18261 1243 1 2 . 1 1 93 93 LYS CA C 93 61.044 61.044 60.121 0.923 18261 1244 1 2 . 1 1 93 93 LYS CB C 93 33.470 33.470 31.901 1.569 18261 1245 1 2 . 1 1 93 93 LYS H H 93 8.098 8.098 7.214 0.884 18261 1246 1 2 . 1 1 94 94 THR N N 94 111.485 111.485 113.243 -1.758 18261 1247 1 2 . 1 1 94 94 THR HA H 94 3.936 3.936 4.079 -0.143 18261 1248 1 2 . 1 1 94 94 THR C C 94 177.033 177.033 177.093 -0.060 18261 1249 1 2 . 1 1 94 94 THR CA C 94 66.974 66.974 66.288 0.686 18261 1250 1 2 . 1 1 94 94 THR CB C 94 68.013 68.013 68.167 -0.154 18261 1251 1 2 . 1 1 94 94 THR H H 94 8.891 8.891 7.822 1.069 18261 1252 1 2 . 1 1 95 95 SER N N 95 118.938 118.938 118.226 0.712 18261 1253 1 2 . 1 1 95 95 SER HA H 95 4.394 4.394 4.257 0.137 18261 1254 1 2 . 1 1 95 95 SER C C 95 177.828 177.828 176.972 0.856 18261 1255 1 2 . 1 1 95 95 SER CA C 95 61.990 61.990 61.771 0.219 18261 1256 1 2 . 1 1 95 95 SER CB C 95 62.580 62.580 62.342 0.238 18261 1257 1 2 . 1 1 95 95 SER H H 95 8.118 8.118 7.714 0.404 18261 1258 1 2 . 1 1 96 96 SER N N 96 121.520 121.520 119.692 1.828 18261 1259 1 2 . 1 1 96 96 SER HA H 96 4.457 4.457 4.296 0.161 18261 1260 1 2 . 1 1 96 96 SER CA C 96 62.695 62.695 62.345 0.350 18261 1261 1 2 . 1 1 96 96 SER CB C 96 62.796 62.796 63.064 -0.268 18261 1262 1 2 . 1 1 96 96 SER H H 96 8.603 8.603 8.154 0.449 18261 1263 1 2 . 1 1 97 97 ILE N N 97 122.420 122.420 122.545 -0.125 18261 1264 1 2 . 1 1 97 97 ILE HA H 97 3.792 3.792 3.888 -0.096 18261 1265 1 2 . 1 1 97 97 ILE C C 97 177.693 177.693 178.014 -0.321 18261 1266 1 2 . 1 1 97 97 ILE CA C 97 66.722 66.722 66.112 0.610 18261 1267 1 2 . 1 1 97 97 ILE CB C 97 38.645 38.645 37.808 0.837 18261 1268 1 2 . 1 1 97 97 ILE H H 97 8.516 8.516 8.502 0.014 18261 1269 1 2 . 1 1 98 98 ALA N N 98 122.031 122.031 122.023 0.008 18261 1270 1 2 . 1 1 98 98 ALA HA H 98 4.063 4.063 4.104 -0.041 18261 1271 1 2 . 1 1 98 98 ALA C C 98 180.740 180.740 180.039 0.701 18261 1272 1 2 . 1 1 98 98 ALA CA C 98 56.158 56.158 55.674 0.484 18261 1273 1 2 . 1 1 98 98 ALA CB C 98 18.347 18.347 18.088 0.259 18261 1274 1 2 . 1 1 98 98 ALA H H 98 8.437 8.437 7.937 0.500 18261 1275 1 2 . 1 1 99 99 SER N N 99 115.676 115.676 115.764 -0.088 18261 1276 1 2 . 1 1 99 99 SER HA H 99 4.369 4.369 4.349 0.020 18261 1277 1 2 . 1 1 99 99 SER C C 99 177.168 177.168 176.707 0.461 18261 1278 1 2 . 1 1 99 99 SER CA C 99 61.959 61.959 62.260 -0.301 18261 1279 1 2 . 1 1 99 99 SER CB C 99 63.160 63.160 63.232 -0.072 18261 1280 1 2 . 1 1 99 99 SER H H 99 8.611 8.611 8.257 0.354 18261 1281 1 2 . 1 1 100 100 ALA N N 100 124.275 124.275 124.718 -0.443 18261 1282 1 2 . 1 1 100 100 ALA HA H 100 4.243 4.243 4.097 0.146 18261 1283 1 2 . 1 1 100 100 ALA C C 100 181.851 181.851 179.388 2.463 18261 1284 1 2 . 1 1 100 100 ALA CA C 100 55.321 55.321 55.000 0.321 18261 1285 1 2 . 1 1 100 100 ALA CB C 100 18.479 18.479 18.416 0.063 18261 1286 1 2 . 1 1 100 100 ALA H H 100 8.973 8.973 8.337 0.636 18261 1287 1 2 . 1 1 101 101 MET N N 101 118.986 118.986 118.745 0.241 18261 1288 1 2 . 1 1 101 101 MET HA H 101 4.063 4.063 4.187 -0.124 18261 1289 1 2 . 1 1 101 101 MET C C 101 177.483 177.483 178.728 -1.245 18261 1290 1 2 . 1 1 101 101 MET CA C 101 60.999 60.999 60.045 0.954 18261 1291 1 2 . 1 1 101 101 MET CB C 101 34.583 34.583 33.009 1.574 18261 1292 1 2 . 1 1 101 101 MET H H 101 9.072 9.072 8.974 0.098 18261 1293 1 2 . 1 1 102 102 SER N N 102 116.650 116.650 115.619 1.031 18261 1294 1 2 . 1 1 102 102 SER HA H 102 4.370 4.370 4.256 0.114 18261 1295 1 2 . 1 1 102 102 SER C C 102 176.357 176.357 177.020 -0.663 18261 1296 1 2 . 1 1 102 102 SER CA C 102 63.278 63.278 62.041 1.237 18261 1297 1 2 . 1 1 102 102 SER CB C 102 62.523 62.523 62.662 -0.139 18261 1298 1 2 . 1 1 102 102 SER H H 102 8.673 8.673 8.660 0.013 18261 1299 1 2 . 1 1 103 103 ASN N N 103 118.060 118.060 121.596 -3.536 18261 1300 1 2 . 1 1 103 103 ASN HA H 103 4.477 4.477 4.574 -0.097 18261 1301 1 2 . 1 1 103 103 ASN C C 103 176.603 176.603 177.301 -0.698 18261 1302 1 2 . 1 1 103 103 ASN CA C 103 56.564 56.564 55.777 0.787 18261 1303 1 2 . 1 1 103 103 ASN CB C 103 38.362 38.362 38.341 0.021 18261 1304 1 2 . 1 1 103 103 ASN H H 103 8.098 8.098 7.830 0.268 18261 1305 1 2 . 1 1 104 104 ALA N N 104 122.235 122.235 122.819 -0.584 18261 1306 1 2 . 1 1 104 104 ALA HA H 104 4.255 4.255 4.166 0.089 18261 1307 1 2 . 1 1 104 104 ALA C C 104 181.701 181.701 180.363 1.338 18261 1308 1 2 . 1 1 104 104 ALA CA C 104 54.815 54.815 54.633 0.182 18261 1309 1 2 . 1 1 104 104 ALA CB C 104 18.177 18.177 18.190 -0.013 18261 1310 1 2 . 1 1 104 104 ALA H H 104 7.919 7.919 8.233 -0.314 18261 1311 1 2 . 1 1 105 105 PHE N N 105 119.159 119.159 120.532 -1.373 18261 1312 1 2 . 1 1 105 105 PHE HA H 105 4.401 4.401 4.482 -0.081 18261 1313 1 2 . 1 1 105 105 PHE C C 105 179.224 179.224 178.016 1.208 18261 1314 1 2 . 1 1 105 105 PHE CA C 105 63.744 63.744 62.075 1.669 18261 1315 1 2 . 1 1 105 105 PHE CB C 105 39.417 39.417 39.427 -0.010 18261 1316 1 2 . 1 1 105 105 PHE H H 105 8.615 8.615 8.990 -0.375 18261 1317 1 2 . 1 1 106 106 LEU N N 106 121.765 121.765 118.749 3.016 18261 1318 1 2 . 1 1 106 106 LEU HA H 106 3.741 3.741 4.094 -0.353 18261 1319 1 2 . 1 1 106 106 LEU C C 106 179.074 179.074 178.566 0.508 18261 1320 1 2 . 1 1 106 106 LEU CA C 106 59.086 59.086 58.568 0.518 18261 1321 1 2 . 1 1 106 106 LEU CB C 106 41.265 41.265 41.674 -0.409 18261 1322 1 2 . 1 1 106 106 LEU H H 106 8.259 8.259 8.225 0.034 18261 1323 1 2 . 1 1 107 107 GLN N N 107 114.755 114.755 116.418 -1.663 18261 1324 1 2 . 1 1 107 107 GLN HA H 107 4.189 4.189 4.257 -0.068 18261 1325 1 2 . 1 1 107 107 GLN C C 107 176.822 176.822 177.882 -1.060 18261 1326 1 2 . 1 1 107 107 GLN CA C 107 57.461 57.461 58.092 -0.631 18261 1327 1 2 . 1 1 107 107 GLN CB C 107 29.393 29.393 28.510 0.883 18261 1328 1 2 . 1 1 107 107 GLN H H 107 8.176 8.176 7.715 0.461 18261 1329 1 2 . 1 1 108 108 THR N N 108 108.074 108.074 113.007 -4.933 18261 1330 1 2 . 1 1 108 108 THR HA H 108 4.517 4.517 4.264 0.253 18261 1331 1 2 . 1 1 108 108 THR C C 108 175.952 175.952 176.043 -0.091 18261 1332 1 2 . 1 1 108 108 THR CA C 108 62.526 62.526 64.748 -2.222 18261 1333 1 2 . 1 1 108 108 THR CB C 108 70.320 70.320 69.079 1.241 18261 1334 1 2 . 1 1 108 108 THR H H 108 7.740 7.740 8.034 -0.294 18261 1335 1 2 . 1 1 109 109 THR N N 109 113.029 113.029 113.018 0.011 18261 1336 1 2 . 1 1 109 109 THR HA H 109 4.620 4.620 4.475 0.145 18261 1337 1 2 . 1 1 109 109 THR C C 109 176.162 176.162 175.754 0.408 18261 1338 1 2 . 1 1 109 109 THR CA C 109 62.255 62.255 61.544 0.711 18261 1339 1 2 . 1 1 109 109 THR CB C 109 70.768 70.768 69.834 0.934 18261 1340 1 2 . 1 1 109 109 THR H H 109 8.869 8.869 7.746 1.123 18261 1341 1 2 . 1 1 110 110 GLY N N 110 109.433 109.433 108.550 0.883 18261 1342 1 2 . 1 1 110 110 GLY C C 110 172.889 172.889 173.810 -0.921 18261 1343 1 2 . 1 1 110 110 GLY CA C 110 45.555 45.555 45.558 -0.003 18261 1344 1 2 . 1 1 110 110 GLY H H 110 8.298 8.298 7.942 0.356 18261 1345 1 2 . 1 1 111 111 VAL N N 111 119.167 119.167 119.313 -0.146 18261 1346 1 2 . 1 1 111 111 VAL HA H 111 4.266 4.266 4.416 -0.150 18261 1347 1 2 . 1 1 111 111 VAL C C 111 174.421 174.421 174.996 -0.575 18261 1348 1 2 . 1 1 111 111 VAL CA C 111 60.783 60.783 60.715 0.068 18261 1349 1 2 . 1 1 111 111 VAL CB C 111 35.394 35.394 35.308 0.086 18261 1350 1 2 . 1 1 111 111 VAL H H 111 7.786 7.786 7.665 0.121 18261 1351 1 2 . 1 1 112 112 VAL N N 112 124.920 124.920 121.887 3.033 18261 1352 1 2 . 1 1 112 112 VAL HA H 112 3.251 3.251 4.191 -0.940 18261 1353 1 2 . 1 1 112 112 VAL C C 112 174.646 174.646 174.346 0.300 18261 1354 1 2 . 1 1 112 112 VAL CA C 112 64.409 64.409 60.288 4.121 18261 1355 1 2 . 1 1 112 112 VAL CB C 112 32.626 32.626 35.439 -2.813 18261 1356 1 2 . 1 1 112 112 VAL H H 112 8.721 8.721 8.183 0.538 18261 1357 1 2 . 1 1 113 113 ASN HA H 113 4.505 4.505 4.578 -0.073 18261 1358 1 2 . 1 1 113 113 ASN CA C 113 50.080 50.080 51.373 -1.293 18261 1359 1 2 . 1 1 113 113 ASN CB C 113 36.910 36.910 38.096 -1.186 18261 1360 1 2 . 1 1 114 114 GLN N N 114 123.939 123.939 127.753 -3.814 18261 1361 1 2 . 1 1 114 114 GLN HA H 114 3.944 3.944 4.248 -0.304 18261 1362 1 2 . 1 1 114 114 GLN C C 114 174.811 174.811 175.122 -0.311 18261 1363 1 2 . 1 1 114 114 GLN CA C 114 59.348 59.348 60.104 -0.756 18261 1364 1 2 . 1 1 114 114 GLN CB C 114 26.505 26.505 27.094 -0.589 18261 1365 1 2 . 1 1 114 114 GLN H H 114 8.368 8.368 8.283 0.085 18261 1366 1 2 . 1 1 115 115 PRO HA H 115 4.243 4.243 4.141 0.102 18261 1367 1 2 . 1 1 115 115 PRO CA C 115 66.602 66.602 65.988 0.614 18261 1368 1 2 . 1 1 115 115 PRO CB C 115 31.215 31.215 31.239 -0.024 18261 1369 1 2 . 1 1 116 116 PHE N N 116 117.612 117.612 116.939 0.673 18261 1370 1 2 . 1 1 116 116 PHE HA H 116 4.209 4.209 4.292 -0.083 18261 1371 1 2 . 1 1 116 116 PHE C C 116 176.597 176.597 177.626 -1.029 18261 1372 1 2 . 1 1 116 116 PHE CA C 116 61.261 61.261 61.620 -0.359 18261 1373 1 2 . 1 1 116 116 PHE CB C 116 39.506 39.506 39.248 0.258 18261 1374 1 2 . 1 1 116 116 PHE H H 116 7.249 7.249 8.107 -0.858 18261 1375 1 2 . 1 1 117 117 ILE N N 117 119.233 119.233 119.718 -0.485 18261 1376 1 2 . 1 1 117 117 ILE HA H 117 3.537 3.537 3.722 -0.185 18261 1377 1 2 . 1 1 117 117 ILE C C 117 178.789 178.789 177.658 1.131 18261 1378 1 2 . 1 1 117 117 ILE CA C 117 65.677 65.677 64.947 0.730 18261 1379 1 2 . 1 1 117 117 ILE CB C 117 38.125 38.125 37.656 0.469 18261 1380 1 2 . 1 1 117 117 ILE H H 117 7.652 7.652 7.422 0.230 18261 1381 1 2 . 1 1 118 118 ASN N N 118 119.875 119.875 118.869 1.006 18261 1382 1 2 . 1 1 118 118 ASN HA H 118 4.304 4.304 4.481 -0.177 18261 1383 1 2 . 1 1 118 118 ASN C C 118 177.033 177.033 178.058 -1.025 18261 1384 1 2 . 1 1 118 118 ASN CA C 118 55.716 55.716 56.142 -0.425 18261 1385 1 2 . 1 1 118 118 ASN CB C 118 37.423 37.423 37.822 -0.398 18261 1386 1 2 . 1 1 118 118 ASN H H 118 8.975 8.975 8.410 0.565 18261 1387 1 2 . 1 1 119 119 GLU N N 119 121.029 121.029 120.230 0.799 18261 1388 1 2 . 1 1 119 119 GLU HA H 119 4.026 4.026 4.071 -0.045 18261 1389 1 2 . 1 1 119 119 GLU C C 119 178.564 178.564 178.861 -0.297 18261 1390 1 2 . 1 1 119 119 GLU CA C 119 59.426 59.426 59.056 0.370 18261 1391 1 2 . 1 1 119 119 GLU CB C 119 29.646 29.646 29.618 0.028 18261 1392 1 2 . 1 1 119 119 GLU H H 119 8.120 8.120 7.541 0.579 18261 1393 1 2 . 1 1 120 120 ILE N N 120 117.654 117.654 120.179 -2.525 18261 1394 1 2 . 1 1 120 120 ILE HA H 120 3.734 3.734 3.820 -0.086 18261 1395 1 2 . 1 1 120 120 ILE C C 120 178.279 178.279 178.061 0.218 18261 1396 1 2 . 1 1 120 120 ILE CA C 120 62.756 62.756 64.904 -2.148 18261 1397 1 2 . 1 1 120 120 ILE CB C 120 35.645 35.645 37.927 -2.282 18261 1398 1 2 . 1 1 120 120 ILE H H 120 8.077 8.077 7.546 0.531 18261 1399 1 2 . 1 1 121 121 THR N N 121 112.585 112.585 114.745 -2.160 18261 1400 1 2 . 1 1 121 121 THR HA H 121 3.753 3.753 3.931 -0.178 18261 1401 1 2 . 1 1 121 121 THR C C 121 177.258 177.258 176.890 0.368 18261 1402 1 2 . 1 1 121 121 THR CA C 121 67.090 67.090 66.868 0.222 18261 1403 1 2 . 1 1 121 121 THR CB C 121 68.254 68.254 68.066 0.188 18261 1404 1 2 . 1 1 121 121 THR H H 121 8.640 8.640 8.489 0.151 18261 1405 1 2 . 1 1 122 122 GLN N N 122 123.063 123.063 120.644 2.419 18261 1406 1 2 . 1 1 122 122 GLN HA H 122 4.091 4.091 4.118 -0.027 18261 1407 1 2 . 1 1 122 122 GLN C C 122 179.014 179.014 178.627 0.387 18261 1408 1 2 . 1 1 122 122 GLN CA C 122 59.192 59.192 58.375 0.817 18261 1409 1 2 . 1 1 122 122 GLN CB C 122 28.020 28.020 27.664 0.356 18261 1410 1 2 . 1 1 122 122 GLN H H 122 8.111 8.111 7.726 0.385 18261 1411 1 2 . 1 1 123 123 LEU N N 123 120.494 120.494 120.304 0.190 18261 1412 1 2 . 1 1 123 123 LEU HA H 123 3.841 3.841 4.028 -0.187 18261 1413 1 2 . 1 1 123 123 LEU C C 123 178.354 178.354 179.155 -0.801 18261 1414 1 2 . 1 1 123 123 LEU CA C 123 58.005 58.005 57.539 0.466 18261 1415 1 2 . 1 1 123 123 LEU CB C 123 42.580 42.580 41.632 0.948 18261 1416 1 2 . 1 1 123 123 LEU H H 123 8.131 8.131 7.383 0.748 18261 1417 1 2 . 1 1 124 124 VAL N N 124 118.543 118.543 121.128 -2.585 18261 1418 1 2 . 1 1 124 124 VAL HA H 124 3.560 3.560 3.618 -0.058 18261 1419 1 2 . 1 1 124 124 VAL C C 124 177.453 177.453 178.399 -0.946 18261 1420 1 2 . 1 1 124 124 VAL CA C 124 67.297 67.297 67.170 0.127 18261 1421 1 2 . 1 1 124 124 VAL CB C 124 31.526 31.526 31.411 0.115 18261 1422 1 2 . 1 1 124 124 VAL H H 124 8.732 8.732 8.808 -0.076 18261 1423 1 2 . 1 1 125 125 SER N N 125 112.449 112.449 114.794 -2.345 18261 1424 1 2 . 1 1 125 125 SER HA H 125 4.044 4.044 4.118 -0.074 18261 1425 1 2 . 1 1 125 125 SER C C 125 175.937 175.937 176.887 -0.950 18261 1426 1 2 . 1 1 125 125 SER CA C 125 62.356 62.356 62.031 0.325 18261 1427 1 2 . 1 1 125 125 SER CB C 125 62.890 62.890 63.107 -0.217 18261 1428 1 2 . 1 1 125 125 SER H H 125 7.863 7.863 7.859 0.004 18261 1429 1 2 . 1 1 126 126 MET N N 126 120.797 120.797 121.165 -0.368 18261 1430 1 2 . 1 1 126 126 MET HA H 126 4.051 4.051 4.057 -0.006 18261 1431 1 2 . 1 1 126 126 MET C C 126 179.254 179.254 178.611 0.643 18261 1432 1 2 . 1 1 126 126 MET CA C 126 58.939 58.939 58.930 0.009 18261 1433 1 2 . 1 1 126 126 MET CB C 126 32.625 32.625 32.563 0.062 18261 1434 1 2 . 1 1 126 126 MET H H 126 8.033 8.033 7.800 0.233 18261 1435 1 2 . 1 1 127 127 PHE N N 127 118.244 118.244 116.715 1.529 18261 1436 1 2 . 1 1 127 127 PHE HA H 127 4.398 4.398 4.292 0.106 18261 1437 1 2 . 1 1 127 127 PHE C C 127 178.128 178.128 176.376 1.752 18261 1438 1 2 . 1 1 127 127 PHE CA C 127 59.991 59.991 59.859 0.132 18261 1439 1 2 . 1 1 127 127 PHE CB C 127 38.584 38.584 38.351 0.233 18261 1440 1 2 . 1 1 127 127 PHE H H 127 8.753 8.753 8.251 0.502 18261 1441 1 2 . 1 1 128 128 ALA N N 128 120.518 120.518 121.037 -0.519 18261 1442 1 2 . 1 1 128 128 ALA HA H 128 4.152 4.152 4.275 -0.123 18261 1443 1 2 . 1 1 128 128 ALA C C 128 178.789 178.789 180.260 -1.471 18261 1444 1 2 . 1 1 128 128 ALA CA C 128 54.570 54.570 54.401 0.169 18261 1445 1 2 . 1 1 128 128 ALA CB C 128 19.373 19.373 18.904 0.469 18261 1446 1 2 . 1 1 128 128 ALA H H 128 8.681 8.681 8.050 0.631 18261 1447 1 2 . 1 1 129 129 GLN N N 129 115.315 115.315 117.107 -1.792 18261 1448 1 2 . 1 1 129 129 GLN HA H 129 4.197 4.197 4.118 0.079 18261 1449 1 2 . 1 1 129 129 GLN C C 129 177.258 177.258 177.712 -0.454 18261 1450 1 2 . 1 1 129 129 GLN CA C 129 57.519 57.519 57.916 -0.397 18261 1451 1 2 . 1 1 129 129 GLN CB C 129 29.271 29.271 28.298 0.973 18261 1452 1 2 . 1 1 129 129 GLN H H 129 7.835 7.835 7.899 -0.064 18261 1453 1 2 . 1 1 130 130 ALA N N 130 121.556 121.556 120.122 1.434 18261 1454 1 2 . 1 1 130 130 ALA HA H 130 4.285 4.285 4.526 -0.241 18261 1455 1 2 . 1 1 130 130 ALA C C 130 178.564 178.564 178.126 0.438 18261 1456 1 2 . 1 1 130 130 ALA CA C 130 53.823 53.823 52.255 1.569 18261 1457 1 2 . 1 1 130 130 ALA CB C 130 19.058 19.058 18.635 0.423 18261 1458 1 2 . 1 1 130 130 ALA H H 130 7.758 7.758 7.403 0.355 18261 1459 1 2 . 1 1 131 131 GLY N N 131 105.780 105.780 106.583 -0.803 18261 1460 1 2 . 1 1 131 131 GLY C C 131 173.970 173.970 174.392 -0.422 18261 1461 1 2 . 1 1 131 131 GLY CA C 131 45.702 45.702 44.656 1.046 18261 1462 1 2 . 1 1 131 131 GLY H H 131 8.222 8.222 7.802 0.420 18261 1463 1 2 . 1 1 132 132 MET N N 132 118.358 118.358 118.974 -0.616 18261 1464 1 2 . 1 1 132 132 MET HA H 132 4.540 4.540 4.623 -0.083 18261 1465 1 2 . 1 1 132 132 MET C C 132 175.952 175.952 176.070 -0.118 18261 1466 1 2 . 1 1 132 132 MET CA C 132 55.611 55.611 56.771 -1.160 18261 1467 1 2 . 1 1 132 132 MET CB C 132 33.473 33.473 34.698 -1.225 18261 1468 1 2 . 1 1 132 132 MET H H 132 7.763 7.763 7.388 0.375 18261 1469 1 2 . 1 1 133 133 ASN N N 133 119.002 119.002 118.540 0.462 18261 1470 1 2 . 1 1 133 133 ASN HA H 133 4.725 4.725 4.806 -0.081 18261 1471 1 2 . 1 1 133 133 ASN C C 133 174.646 174.646 173.905 0.741 18261 1472 1 2 . 1 1 133 133 ASN CA C 133 53.512 53.512 53.723 -0.211 18261 1473 1 2 . 1 1 133 133 ASN CB C 133 39.301 39.301 40.002 -0.701 18261 1474 1 2 . 1 1 133 133 ASN H H 133 8.289 8.289 8.400 -0.111 18261 1475 1 2 . 1 1 134 134 ASP N N 134 120.907 120.907 122.777 -1.870 18261 1476 1 2 . 1 1 134 134 ASP HA H 134 4.659 4.659 4.487 0.172 18261 1477 1 2 . 1 1 134 134 ASP C C 134 176.162 176.162 175.624 0.538 18261 1478 1 2 . 1 1 134 134 ASP CA C 134 54.379 54.379 55.098 -0.719 18261 1479 1 2 . 1 1 134 134 ASP CB C 134 41.291 41.291 40.840 0.452 18261 1480 1 2 . 1 1 134 134 ASP H H 134 8.364 8.364 8.667 -0.303 18261 1481 1 2 . 1 1 135 135 VAL N N 135 119.971 119.971 117.149 2.822 18261 1482 1 2 . 1 1 135 135 VAL HA H 135 4.214 4.214 4.145 0.069 18261 1483 1 2 . 1 1 135 135 VAL C C 135 176.162 176.162 176.201 -0.039 18261 1484 1 2 . 1 1 135 135 VAL CA C 135 62.157 62.157 63.410 -1.253 18261 1485 1 2 . 1 1 135 135 VAL CB C 135 32.644 32.644 32.340 0.304 18261 1486 1 2 . 1 1 135 135 VAL H H 135 8.118 8.118 8.200 -0.082 18261 1487 1 2 . 1 1 136 136 SER N N 136 119.918 119.918 117.509 2.409 18261 1488 1 2 . 1 1 136 136 SER HA H 136 4.462 4.462 4.485 -0.023 18261 1489 1 2 . 1 1 136 136 SER C C 136 173.325 173.325 173.710 -0.385 18261 1490 1 2 . 1 1 136 136 SER CA C 136 58.342 58.342 58.348 -0.006 18261 1491 1 2 . 1 1 136 136 SER CB C 136 64.041 64.041 63.050 0.991 18261 1492 1 2 . 1 1 136 136 SER H H 136 8.410 8.410 8.508 -0.098 18261 1493 1 3 . 1 1 3 3 GLY CA C 3 45.200 45.200 44.429 0.771 18261 1494 1 3 . 1 1 4 4 ASN N N 4 124.083 124.083 122.116 1.967 18261 1495 1 3 . 1 1 4 4 ASN HA H 4 4.530 4.530 4.577 -0.047 18261 1496 1 3 . 1 1 4 4 ASN C C 4 179.449 179.449 175.934 3.515 18261 1497 1 3 . 1 1 4 4 ASN CA C 4 54.803 54.803 54.823 -0.020 18261 1498 1 3 . 1 1 4 4 ASN CB C 4 41.106 41.106 38.653 2.454 18261 1499 1 3 . 1 1 4 4 ASN H H 4 7.981 7.981 7.943 0.038 18261 1500 1 3 . 1 1 6 6 HIS HA H 6 4.693 4.693 4.569 0.124 18261 1501 1 3 . 1 1 6 6 HIS CA C 6 56.115 56.115 55.008 1.107 18261 1502 1 3 . 1 1 6 6 HIS CB C 6 31.011 31.011 27.892 3.119 18261 1503 1 3 . 1 1 7 7 THR N N 7 115.238 115.238 117.009 -1.771 18261 1504 1 3 . 1 1 7 7 THR HA H 7 4.318 4.318 4.445 -0.127 18261 1505 1 3 . 1 1 7 7 THR C C 7 173.970 173.970 172.868 1.102 18261 1506 1 3 . 1 1 7 7 THR CA C 7 62.099 62.099 61.114 0.986 18261 1507 1 3 . 1 1 7 7 THR CB C 7 69.779 69.779 70.071 -0.292 18261 1508 1 3 . 1 1 7 7 THR H H 7 8.120 8.120 7.869 0.251 18261 1509 1 3 . 1 1 8 8 THR N N 8 115.713 115.713 121.487 -5.774 18261 1510 1 3 . 1 1 8 8 THR HA H 8 4.146 4.146 4.382 -0.236 18261 1511 1 3 . 1 1 8 8 THR C C 8 172.664 172.664 173.632 -0.968 18261 1512 1 3 . 1 1 8 8 THR CA C 8 58.349 58.349 59.046 -0.697 18261 1513 1 3 . 1 1 8 8 THR CB C 8 69.219 69.219 69.789 -0.570 18261 1514 1 3 . 1 1 8 8 THR H H 8 7.977 7.977 8.062 -0.085 18261 1515 1 3 . 1 1 9 9 PRO HA H 9 3.939 3.939 3.914 0.025 18261 1516 1 3 . 1 1 9 9 PRO CA C 9 62.965 62.965 63.550 -0.585 18261 1517 1 3 . 1 1 9 9 PRO CB C 9 30.610 30.610 30.569 0.041 18261 1518 1 3 . 1 1 10 10 TRP N N 10 111.487 111.487 112.944 -1.457 18261 1519 1 3 . 1 1 10 10 TRP HA H 10 4.899 4.899 4.540 0.359 18261 1520 1 3 . 1 1 10 10 TRP C C 10 175.817 175.817 176.483 -0.666 18261 1521 1 3 . 1 1 10 10 TRP CA C 10 54.292 54.292 55.538 -1.246 18261 1522 1 3 . 1 1 10 10 TRP CB C 10 31.219 31.219 28.709 2.510 18261 1523 1 3 . 1 1 10 10 TRP H H 10 6.681 6.681 6.902 -0.221 18261 1524 1 3 . 1 1 11 11 THR N N 11 106.120 106.120 113.281 -7.161 18261 1525 1 3 . 1 1 11 11 THR HA H 11 3.905 3.905 4.228 -0.323 18261 1526 1 3 . 1 1 11 11 THR C C 11 173.970 173.970 174.313 -0.343 18261 1527 1 3 . 1 1 11 11 THR CA C 11 63.937 63.937 63.945 -0.008 18261 1528 1 3 . 1 1 11 11 THR CB C 11 69.242 69.242 69.060 0.182 18261 1529 1 3 . 1 1 11 11 THR H H 11 7.189 7.189 7.495 -0.306 18261 1530 1 3 . 1 1 12 12 ASN N N 12 116.403 116.403 117.008 -0.605 18261 1531 1 3 . 1 1 12 12 ASN HA H 12 5.115 5.115 4.976 0.139 18261 1532 1 3 . 1 1 12 12 ASN C C 12 172.889 172.889 173.762 -0.873 18261 1533 1 3 . 1 1 12 12 ASN CA C 12 51.276 51.276 50.633 0.643 18261 1534 1 3 . 1 1 12 12 ASN CB C 12 40.474 40.474 40.004 0.470 18261 1535 1 3 . 1 1 12 12 ASN H H 12 7.282 7.282 7.713 -0.431 18261 1536 1 3 . 1 1 13 13 PRO HA H 13 4.210 4.210 4.388 -0.178 18261 1537 1 3 . 1 1 13 13 PRO CA C 13 65.516 65.516 65.246 0.270 18261 1538 1 3 . 1 1 13 13 PRO CB C 13 32.418 32.418 32.132 0.286 18261 1539 1 3 . 1 1 14 14 GLY N N 14 108.796 108.796 106.684 2.112 18261 1540 1 3 . 1 1 14 14 GLY C C 14 175.952 175.952 175.953 -0.001 18261 1541 1 3 . 1 1 14 14 GLY CA C 14 47.073 47.073 46.688 0.385 18261 1542 1 3 . 1 1 14 14 GLY H H 14 8.363 8.363 9.119 -0.756 18261 1543 1 3 . 1 1 15 15 LEU N N 15 124.473 124.473 123.692 0.781 18261 1544 1 3 . 1 1 15 15 LEU HA H 15 4.335 4.335 4.162 0.173 18261 1545 1 3 . 1 1 15 15 LEU C C 15 178.564 178.564 178.494 0.070 18261 1546 1 3 . 1 1 15 15 LEU CA C 15 57.402 57.402 57.316 0.086 18261 1547 1 3 . 1 1 15 15 LEU CB C 15 41.600 41.600 41.179 0.421 18261 1548 1 3 . 1 1 15 15 LEU H H 15 7.890 7.890 7.367 0.523 18261 1549 1 3 . 1 1 16 16 ALA N N 16 121.371 121.371 121.208 0.163 18261 1550 1 3 . 1 1 16 16 ALA HA H 16 4.000 4.000 3.932 0.068 18261 1551 1 3 . 1 1 16 16 ALA C C 16 179.104 179.104 179.518 -0.414 18261 1552 1 3 . 1 1 16 16 ALA CA C 16 56.360 56.360 55.336 1.024 18261 1553 1 3 . 1 1 16 16 ALA CB C 16 19.351 19.351 18.173 1.178 18261 1554 1 3 . 1 1 16 16 ALA H H 16 8.429 8.429 8.194 0.235 18261 1555 1 3 . 1 1 17 17 GLU N N 17 117.199 117.199 118.802 -1.603 18261 1556 1 3 . 1 1 17 17 GLU HA H 17 3.964 3.964 3.993 -0.029 18261 1557 1 3 . 1 1 17 17 GLU C C 17 177.993 177.993 179.227 -1.234 18261 1558 1 3 . 1 1 17 17 GLU CA C 17 59.543 59.543 59.911 -0.368 18261 1559 1 3 . 1 1 17 17 GLU CB C 17 29.932 29.932 29.560 0.372 18261 1560 1 3 . 1 1 17 17 GLU H H 17 8.030 8.030 8.139 -0.109 18261 1561 1 3 . 1 1 18 18 ASN N N 18 118.433 118.433 117.643 0.790 18261 1562 1 3 . 1 1 18 18 ASN HA H 18 4.546 4.546 4.564 -0.018 18261 1563 1 3 . 1 1 18 18 ASN C C 18 178.347 178.347 177.650 0.697 18261 1564 1 3 . 1 1 18 18 ASN CA C 18 56.226 56.226 56.208 0.018 18261 1565 1 3 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.754 -0.630 18261 1566 1 3 . 1 1 18 18 ASN H H 18 8.075 8.075 7.906 0.169 18261 1567 1 3 . 1 1 19 19 PHE N N 19 122.078 122.078 123.898 -1.820 18261 1568 1 3 . 1 1 19 19 PHE HA H 19 3.881 3.881 4.157 -0.276 18261 1569 1 3 . 1 1 19 19 PHE C C 19 176.837 176.837 177.405 -0.568 18261 1570 1 3 . 1 1 19 19 PHE CA C 19 62.230 62.230 62.423 -0.193 18261 1571 1 3 . 1 1 19 19 PHE CB C 19 39.450 39.450 39.038 0.412 18261 1572 1 3 . 1 1 19 19 PHE H H 19 9.623 9.623 8.645 0.978 18261 1573 1 3 . 1 1 20 20 MET N N 20 118.264 118.264 117.602 0.662 18261 1574 1 3 . 1 1 20 20 MET HA H 20 4.424 4.424 4.151 0.273 18261 1575 1 3 . 1 1 20 20 MET C C 20 178.924 178.924 178.574 0.350 18261 1576 1 3 . 1 1 20 20 MET CA C 20 57.480 57.480 58.205 -0.725 18261 1577 1 3 . 1 1 20 20 MET CB C 20 31.929 31.929 31.823 0.106 18261 1578 1 3 . 1 1 20 20 MET H H 20 8.865 8.865 8.880 -0.015 18261 1579 1 3 . 1 1 21 21 ASN N N 21 118.455 118.455 118.797 -0.342 18261 1580 1 3 . 1 1 21 21 ASN HA H 21 4.542 4.542 4.380 0.162 18261 1581 1 3 . 1 1 21 21 ASN C C 21 178.249 178.249 177.583 0.666 18261 1582 1 3 . 1 1 21 21 ASN CA C 21 56.305 56.305 57.278 -0.973 18261 1583 1 3 . 1 1 21 21 ASN CB C 21 37.916 37.916 38.502 -0.586 18261 1584 1 3 . 1 1 21 21 ASN H H 21 8.453 8.453 8.023 0.430 18261 1585 1 3 . 1 1 22 22 SER N N 22 116.036 116.036 115.941 0.095 18261 1586 1 3 . 1 1 22 22 SER HA H 22 4.196 4.196 4.163 0.033 18261 1587 1 3 . 1 1 22 22 SER C C 22 178.143 178.143 176.209 1.934 18261 1588 1 3 . 1 1 22 22 SER CA C 22 62.256 62.256 62.056 0.200 18261 1589 1 3 . 1 1 22 22 SER CB C 22 62.870 62.870 62.984 -0.114 18261 1590 1 3 . 1 1 22 22 SER H H 22 7.959 7.959 8.313 -0.354 18261 1591 1 3 . 1 1 23 23 PHE N N 23 124.987 124.987 124.651 0.336 18261 1592 1 3 . 1 1 23 23 PHE HA H 23 4.005 4.005 4.095 -0.090 18261 1593 1 3 . 1 1 23 23 PHE C C 23 175.652 175.652 176.770 -1.118 18261 1594 1 3 . 1 1 23 23 PHE CA C 23 60.525 60.525 61.205 -0.680 18261 1595 1 3 . 1 1 23 23 PHE CB C 23 38.899 38.899 39.105 -0.206 18261 1596 1 3 . 1 1 23 23 PHE H H 23 9.045 9.045 8.501 0.544 18261 1597 1 3 . 1 1 24 24 MET N N 24 117.260 117.260 116.848 0.412 18261 1598 1 3 . 1 1 24 24 MET HA H 24 4.040 4.040 3.766 0.274 18261 1599 1 3 . 1 1 24 24 MET C C 24 179.797 179.797 178.533 1.264 18261 1600 1 3 . 1 1 24 24 MET CA C 24 56.047 56.047 58.142 -2.095 18261 1601 1 3 . 1 1 24 24 MET CB C 24 30.308 30.308 31.516 -1.208 18261 1602 1 3 . 1 1 24 24 MET H H 24 8.302 8.302 8.558 -0.256 18261 1603 1 3 . 1 1 25 25 GLN N N 25 120.167 120.167 118.660 1.507 18261 1604 1 3 . 1 1 25 25 GLN HA H 25 3.985 3.985 3.988 -0.003 18261 1605 1 3 . 1 1 25 25 GLN C C 25 179.870 179.870 178.609 1.261 18261 1606 1 3 . 1 1 25 25 GLN CA C 25 59.136 59.136 59.194 -0.058 18261 1607 1 3 . 1 1 25 25 GLN CB C 25 28.234 28.234 28.104 0.130 18261 1608 1 3 . 1 1 25 25 GLN H H 25 8.038 8.038 8.147 -0.109 18261 1609 1 3 . 1 1 26 26 GLY N N 26 107.636 107.636 107.489 0.147 18261 1610 1 3 . 1 1 26 26 GLY C C 26 176.387 176.387 177.042 -0.655 18261 1611 1 3 . 1 1 26 26 GLY CA C 26 46.911 46.911 46.302 0.609 18261 1612 1 3 . 1 1 26 26 GLY H H 26 8.095 8.095 8.071 0.024 18261 1613 1 3 . 1 1 27 27 LEU N N 27 122.877 122.877 123.785 -0.908 18261 1614 1 3 . 1 1 27 27 LEU HA H 27 3.783 3.783 3.892 -0.109 18261 1615 1 3 . 1 1 27 27 LEU C C 27 178.564 178.564 179.102 -0.538 18261 1616 1 3 . 1 1 27 27 LEU CA C 27 57.262 57.262 57.355 -0.093 18261 1617 1 3 . 1 1 27 27 LEU CB C 27 42.076 42.076 40.688 1.387 18261 1618 1 3 . 1 1 27 27 LEU H H 27 8.369 8.369 8.303 0.066 18261 1619 1 3 . 1 1 28 28 SER N N 28 109.474 109.474 113.097 -3.623 18261 1620 1 3 . 1 1 28 28 SER HA H 28 4.138 4.138 4.240 -0.102 18261 1621 1 3 . 1 1 28 28 SER C C 28 174.421 174.421 175.039 -0.618 18261 1622 1 3 . 1 1 28 28 SER CA C 28 61.153 61.153 60.715 0.438 18261 1623 1 3 . 1 1 28 28 SER CB C 28 63.320 63.320 63.082 0.238 18261 1624 1 3 . 1 1 28 28 SER H H 28 7.527 7.527 8.163 -0.636 18261 1625 1 3 . 1 1 29 29 SER N N 29 114.550 114.550 114.919 -0.369 18261 1626 1 3 . 1 1 29 29 SER HA H 29 4.734 4.734 4.508 0.226 18261 1627 1 3 . 1 1 29 29 SER C C 29 173.970 173.970 174.066 -0.096 18261 1628 1 3 . 1 1 29 29 SER CA C 29 57.927 57.927 58.915 -0.988 18261 1629 1 3 . 1 1 29 29 SER CB C 29 64.500 64.500 63.768 0.732 18261 1630 1 3 . 1 1 29 29 SER H H 29 7.449 7.449 7.618 -0.169 18261 1631 1 3 . 1 1 30 30 MET N N 30 122.420 122.420 122.252 0.168 18261 1632 1 3 . 1 1 30 30 MET HA H 30 4.952 4.952 4.866 0.086 18261 1633 1 3 . 1 1 30 30 MET C C 30 174.195 174.195 174.050 0.145 18261 1634 1 3 . 1 1 30 30 MET CA C 30 53.638 53.638 51.400 2.238 18261 1635 1 3 . 1 1 30 30 MET CB C 30 32.305 32.305 31.800 0.505 18261 1636 1 3 . 1 1 30 30 MET H H 30 7.674 7.674 7.570 0.104 18261 1637 1 3 . 1 1 31 31 PRO HA H 31 4.669 4.669 4.477 0.192 18261 1638 1 3 . 1 1 31 31 PRO CA C 31 62.880 62.880 63.248 -0.368 18261 1639 1 3 . 1 1 31 31 PRO CB C 31 32.742 32.742 31.354 1.388 18261 1640 1 3 . 1 1 32 32 GLY N N 32 106.222 106.222 110.217 -3.995 18261 1641 1 3 . 1 1 32 32 GLY C C 32 172.454 172.454 173.797 -1.343 18261 1642 1 3 . 1 1 32 32 GLY CA C 32 45.608 45.608 45.197 0.411 18261 1643 1 3 . 1 1 32 32 GLY H H 32 8.415 8.415 8.065 0.350 18261 1644 1 3 . 1 1 33 33 PHE N N 33 116.404 116.404 119.843 -3.439 18261 1645 1 3 . 1 1 33 33 PHE HA H 33 5.167 5.167 4.779 0.388 18261 1646 1 3 . 1 1 33 33 PHE C C 33 176.387 176.387 175.467 0.920 18261 1647 1 3 . 1 1 33 33 PHE CA C 33 56.750 56.750 58.703 -1.953 18261 1648 1 3 . 1 1 33 33 PHE CB C 33 42.080 42.080 40.406 1.674 18261 1649 1 3 . 1 1 33 33 PHE H H 33 7.871 7.871 7.507 0.364 18261 1650 1 3 . 1 1 34 34 THR N N 34 113.684 113.684 112.546 1.138 18261 1651 1 3 . 1 1 34 34 THR HA H 34 4.545 4.545 4.569 -0.024 18261 1652 1 3 . 1 1 34 34 THR C C 34 175.066 175.066 174.762 0.304 18261 1653 1 3 . 1 1 34 34 THR CA C 34 60.339 60.339 60.149 0.190 18261 1654 1 3 . 1 1 34 34 THR CB C 34 70.381 70.381 71.719 -1.338 18261 1655 1 3 . 1 1 34 34 THR H H 34 8.899 8.899 8.314 0.585 18261 1656 1 3 . 1 1 35 35 ALA N N 35 122.927 122.927 127.385 -4.458 18261 1657 1 3 . 1 1 35 35 ALA HA H 35 4.092 4.092 4.053 0.039 18261 1658 1 3 . 1 1 35 35 ALA C C 35 180.755 180.755 179.185 1.570 18261 1659 1 3 . 1 1 35 35 ALA CA C 35 55.827 55.827 55.240 0.587 18261 1660 1 3 . 1 1 35 35 ALA CB C 35 18.098 18.098 18.433 -0.335 18261 1661 1 3 . 1 1 35 35 ALA H H 35 8.864 8.864 8.783 0.081 18261 1662 1 3 . 1 1 36 36 SER N N 36 112.708 112.708 113.289 -0.581 18261 1663 1 3 . 1 1 36 36 SER HA H 36 4.276 4.276 4.176 0.100 18261 1664 1 3 . 1 1 36 36 SER C C 36 177.033 177.033 176.826 0.207 18261 1665 1 3 . 1 1 36 36 SER CA C 36 61.403 61.403 61.578 -0.174 18261 1666 1 3 . 1 1 36 36 SER CB C 36 62.371 62.371 62.708 -0.337 18261 1667 1 3 . 1 1 36 36 SER H H 36 8.389 8.389 8.120 0.269 18261 1668 1 3 . 1 1 37 37 GLN N N 37 121.595 121.595 120.921 0.674 18261 1669 1 3 . 1 1 37 37 GLN HA H 37 4.272 4.272 4.228 0.044 18261 1670 1 3 . 1 1 37 37 GLN C C 37 179.149 179.149 178.817 0.332 18261 1671 1 3 . 1 1 37 37 GLN CA C 37 58.638 58.638 58.503 0.135 18261 1672 1 3 . 1 1 37 37 GLN CB C 37 29.123 29.123 28.604 0.519 18261 1673 1 3 . 1 1 37 37 GLN H H 37 7.621 7.621 7.578 0.043 18261 1674 1 3 . 1 1 38 38 LEU N N 38 119.852 119.852 121.188 -1.336 18261 1675 1 3 . 1 1 38 38 LEU HA H 38 3.838 3.838 3.836 0.002 18261 1676 1 3 . 1 1 38 38 LEU C C 38 179.675 179.675 178.685 0.990 18261 1677 1 3 . 1 1 38 38 LEU CA C 38 57.929 57.929 57.828 0.101 18261 1678 1 3 . 1 1 38 38 LEU CB C 38 40.918 40.918 41.445 -0.527 18261 1679 1 3 . 1 1 38 38 LEU H H 38 8.341 8.341 8.219 0.122 18261 1680 1 3 . 1 1 39 39 ASP N N 39 122.065 122.065 119.926 2.139 18261 1681 1 3 . 1 1 39 39 ASP HA H 39 4.439 4.439 4.226 0.213 18261 1682 1 3 . 1 1 39 39 ASP C C 39 179.224 179.224 178.160 1.064 18261 1683 1 3 . 1 1 39 39 ASP CA C 39 57.710 57.710 58.049 -0.339 18261 1684 1 3 . 1 1 39 39 ASP CB C 39 40.245 40.245 40.862 -0.618 18261 1685 1 3 . 1 1 39 39 ASP H H 39 7.955 7.955 8.452 -0.497 18261 1686 1 3 . 1 1 40 40 ASP N N 40 121.957 121.957 119.589 2.368 18261 1687 1 3 . 1 1 40 40 ASP HA H 40 4.483 4.483 4.372 0.111 18261 1688 1 3 . 1 1 40 40 ASP C C 40 179.600 179.600 178.501 1.099 18261 1689 1 3 . 1 1 40 40 ASP CA C 40 57.745 57.745 57.292 0.453 18261 1690 1 3 . 1 1 40 40 ASP CB C 40 40.190 40.190 40.760 -0.570 18261 1691 1 3 . 1 1 40 40 ASP H H 40 8.022 8.022 7.784 0.238 18261 1692 1 3 . 1 1 41 41 MET N N 41 121.160 121.160 119.837 1.323 18261 1693 1 3 . 1 1 41 41 MET HA H 41 4.204 4.204 4.104 0.100 18261 1694 1 3 . 1 1 41 41 MET C C 41 177.693 177.693 178.205 -0.512 18261 1695 1 3 . 1 1 41 41 MET CA C 41 57.634 57.634 59.018 -1.384 18261 1696 1 3 . 1 1 41 41 MET CB C 41 31.422 31.422 32.778 -1.356 18261 1697 1 3 . 1 1 41 41 MET H H 41 8.668 8.668 7.904 0.764 18261 1698 1 3 . 1 1 42 42 SER N N 42 116.421 116.421 114.891 1.530 18261 1699 1 3 . 1 1 42 42 SER HA H 42 4.304 4.304 4.193 0.111 18261 1700 1 3 . 1 1 42 42 SER C C 42 177.483 177.483 176.902 0.581 18261 1701 1 3 . 1 1 42 42 SER CA C 42 62.075 62.075 61.830 0.245 18261 1702 1 3 . 1 1 42 42 SER CB C 42 62.765 62.765 63.054 -0.289 18261 1703 1 3 . 1 1 42 42 SER H H 42 8.375 8.375 8.405 -0.030 18261 1704 1 3 . 1 1 43 43 THR N N 43 118.797 118.797 119.061 -0.264 18261 1705 1 3 . 1 1 43 43 THR HA H 43 4.042 4.042 4.030 0.012 18261 1706 1 3 . 1 1 43 43 THR C C 43 177.258 177.258 176.964 0.294 18261 1707 1 3 . 1 1 43 43 THR CA C 43 66.584 66.584 66.663 -0.079 18261 1708 1 3 . 1 1 43 43 THR CB C 43 68.490 68.490 68.829 -0.339 18261 1709 1 3 . 1 1 43 43 THR H H 43 7.928 7.928 7.705 0.223 18261 1710 1 3 . 1 1 44 44 ILE N N 44 122.960 122.960 121.019 1.941 18261 1711 1 3 . 1 1 44 44 ILE HA H 44 3.930 3.930 3.821 0.109 18261 1712 1 3 . 1 1 44 44 ILE C C 44 178.564 178.564 177.786 0.778 18261 1713 1 3 . 1 1 44 44 ILE CA C 44 64.483 64.483 62.804 1.679 18261 1714 1 3 . 1 1 44 44 ILE CB C 44 38.015 38.015 36.585 1.430 18261 1715 1 3 . 1 1 44 44 ILE H H 44 7.863 7.863 8.383 -0.520 18261 1716 1 3 . 1 1 45 45 ALA N N 45 124.792 124.792 122.632 2.160 18261 1717 1 3 . 1 1 45 45 ALA HA H 45 4.122 4.122 3.950 0.172 18261 1718 1 3 . 1 1 45 45 ALA C C 45 179.404 179.404 179.706 -0.302 18261 1719 1 3 . 1 1 45 45 ALA CA C 45 56.009 56.009 55.373 0.636 18261 1720 1 3 . 1 1 45 45 ALA CB C 45 18.908 18.908 18.337 0.571 18261 1721 1 3 . 1 1 45 45 ALA H H 45 8.853 8.853 8.486 0.366 18261 1722 1 3 . 1 1 46 46 GLN N N 46 116.307 116.307 117.068 -0.761 18261 1723 1 3 . 1 1 46 46 GLN HA H 46 4.068 4.068 4.050 0.018 18261 1724 1 3 . 1 1 46 46 GLN C C 46 179.014 179.014 178.466 0.548 18261 1725 1 3 . 1 1 46 46 GLN CA C 46 58.903 58.903 58.126 0.777 18261 1726 1 3 . 1 1 46 46 GLN CB C 46 28.250 28.250 27.841 0.409 18261 1727 1 3 . 1 1 46 46 GLN H H 46 8.238 8.238 8.239 -0.001 18261 1728 1 3 . 1 1 47 47 SER N N 47 115.959 115.959 116.278 -0.319 18261 1729 1 3 . 1 1 47 47 SER HA H 47 4.261 4.261 4.149 0.112 18261 1730 1 3 . 1 1 47 47 SER C C 47 177.483 177.483 176.320 1.163 18261 1731 1 3 . 1 1 47 47 SER CA C 47 61.526 61.526 61.615 -0.089 18261 1732 1 3 . 1 1 47 47 SER CB C 47 62.842 62.842 62.695 0.147 18261 1733 1 3 . 1 1 47 47 SER H H 47 8.223 8.223 7.529 0.694 18261 1734 1 3 . 1 1 48 48 MET N N 48 121.963 121.963 121.820 0.143 18261 1735 1 3 . 1 1 48 48 MET HA H 48 4.110 4.110 4.039 0.071 18261 1736 1 3 . 1 1 48 48 MET C C 48 177.798 177.798 177.477 0.321 18261 1737 1 3 . 1 1 48 48 MET CA C 48 57.531 57.531 59.019 -1.488 18261 1738 1 3 . 1 1 48 48 MET CB C 48 31.169 31.169 32.412 -1.243 18261 1739 1 3 . 1 1 48 48 MET H H 48 8.245 8.245 7.460 0.785 18261 1740 1 3 . 1 1 49 49 VAL N N 49 119.045 119.045 119.520 -0.475 18261 1741 1 3 . 1 1 49 49 VAL HA H 49 3.300 3.300 3.548 -0.248 18261 1742 1 3 . 1 1 49 49 VAL C C 49 177.910 177.910 178.452 -0.542 18261 1743 1 3 . 1 1 49 49 VAL CA C 49 67.811 67.811 66.383 1.428 18261 1744 1 3 . 1 1 49 49 VAL CB C 49 31.370 31.370 30.462 0.908 18261 1745 1 3 . 1 1 49 49 VAL H H 49 7.809 7.809 7.899 -0.090 18261 1746 1 3 . 1 1 50 50 GLN N N 50 118.357 118.357 118.832 -0.475 18261 1747 1 3 . 1 1 50 50 GLN HA H 50 4.091 4.091 4.006 0.085 18261 1748 1 3 . 1 1 50 50 GLN C C 50 179.449 179.449 178.903 0.546 18261 1749 1 3 . 1 1 50 50 GLN CA C 50 59.056 59.056 58.823 0.233 18261 1750 1 3 . 1 1 50 50 GLN CB C 50 28.020 28.020 27.790 0.230 18261 1751 1 3 . 1 1 50 50 GLN H H 50 8.225 8.225 8.715 -0.490 18261 1752 1 3 . 1 1 51 51 SER N N 51 117.253 117.253 116.349 0.904 18261 1753 1 3 . 1 1 51 51 SER HA H 51 4.235 4.235 4.214 0.021 18261 1754 1 3 . 1 1 51 51 SER C C 51 176.374 176.374 176.701 -0.327 18261 1755 1 3 . 1 1 51 51 SER CA C 51 62.752 62.752 62.103 0.649 18261 1756 1 3 . 1 1 51 51 SER CB C 51 62.963 62.963 62.792 0.171 18261 1757 1 3 . 1 1 51 51 SER H H 51 8.328 8.328 7.625 0.703 18261 1758 1 3 . 1 1 52 52 ILE N N 52 123.114 123.114 122.846 0.268 18261 1759 1 3 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.580 0.019 18261 1760 1 3 . 1 1 52 52 ILE C C 52 178.684 178.684 177.513 1.171 18261 1761 1 3 . 1 1 52 52 ILE CA C 52 64.736 64.736 65.524 -0.788 18261 1762 1 3 . 1 1 52 52 ILE CB C 52 37.838 37.838 37.391 0.447 18261 1763 1 3 . 1 1 52 52 ILE H H 52 8.147 8.147 8.322 -0.175 18261 1764 1 3 . 1 1 53 53 GLN N N 53 120.011 120.011 119.419 0.592 18261 1765 1 3 . 1 1 53 53 GLN HA H 53 3.946 3.946 3.961 -0.015 18261 1766 1 3 . 1 1 53 53 GLN C C 53 179.014 179.014 178.961 0.053 18261 1767 1 3 . 1 1 53 53 GLN CA C 53 59.501 59.501 58.744 0.757 18261 1768 1 3 . 1 1 53 53 GLN CB C 53 27.901 27.901 27.964 -0.063 18261 1769 1 3 . 1 1 53 53 GLN H H 53 8.583 8.583 8.249 0.334 18261 1770 1 3 . 1 1 54 54 SER N N 54 115.479 115.479 116.003 -0.524 18261 1771 1 3 . 1 1 54 54 SER HA H 54 4.302 4.302 4.196 0.106 18261 1772 1 3 . 1 1 54 54 SER C C 54 176.822 176.822 176.818 0.004 18261 1773 1 3 . 1 1 54 54 SER CA C 54 61.492 61.492 61.429 0.063 18261 1774 1 3 . 1 1 54 54 SER CB C 54 62.880 62.880 62.654 0.226 18261 1775 1 3 . 1 1 54 54 SER H H 54 8.271 8.271 7.707 0.564 18261 1776 1 3 . 1 1 55 55 LEU N N 55 121.519 121.519 121.964 -0.445 18261 1777 1 3 . 1 1 55 55 LEU HA H 55 4.068 4.068 4.016 0.052 18261 1778 1 3 . 1 1 55 55 LEU C C 55 179.434 179.434 178.818 0.616 18261 1779 1 3 . 1 1 55 55 LEU CA C 55 57.793 57.793 58.141 -0.348 18261 1780 1 3 . 1 1 55 55 LEU CB C 55 42.245 42.245 41.621 0.624 18261 1781 1 3 . 1 1 55 55 LEU H H 55 7.974 7.974 8.157 -0.183 18261 1782 1 3 . 1 1 56 56 ALA N N 56 121.040 121.040 117.526 3.514 18261 1783 1 3 . 1 1 56 56 ALA HA H 56 4.228 4.228 4.268 -0.040 18261 1784 1 3 . 1 1 56 56 ALA C C 56 180.530 180.530 177.531 2.999 18261 1785 1 3 . 1 1 56 56 ALA CA C 56 54.331 54.331 53.480 0.851 18261 1786 1 3 . 1 1 56 56 ALA CB C 56 18.075 18.075 18.632 -0.557 18261 1787 1 3 . 1 1 56 56 ALA H H 56 8.032 8.032 8.414 -0.382 18261 1788 1 3 . 1 1 57 57 ALA N N 57 121.325 121.325 121.520 -0.195 18261 1789 1 3 . 1 1 57 57 ALA HA H 57 4.219 4.219 4.275 -0.056 18261 1790 1 3 . 1 1 57 57 ALA C C 57 179.344 179.344 179.195 0.149 18261 1791 1 3 . 1 1 57 57 ALA CA C 57 54.446 54.446 53.516 0.930 18261 1792 1 3 . 1 1 57 57 ALA CB C 57 18.470 18.470 19.839 -1.369 18261 1793 1 3 . 1 1 57 57 ALA H H 57 8.030 8.030 7.549 0.481 18261 1794 1 3 . 1 1 58 58 GLN N N 58 114.257 114.257 117.373 -3.116 18261 1795 1 3 . 1 1 58 58 GLN HA H 58 4.356 4.356 4.338 0.018 18261 1796 1 3 . 1 1 58 58 GLN C C 58 176.612 176.612 176.607 0.005 18261 1797 1 3 . 1 1 58 58 GLN CA C 58 55.957 55.957 56.154 -0.197 18261 1798 1 3 . 1 1 58 58 GLN CB C 58 29.767 29.767 29.747 0.020 18261 1799 1 3 . 1 1 58 58 GLN H H 58 7.751 7.751 8.470 -0.719 18261 1800 1 3 . 1 1 59 59 GLY N N 59 108.304 108.304 107.720 0.584 18261 1801 1 3 . 1 1 59 59 GLY C C 59 174.856 174.856 174.443 0.413 18261 1802 1 3 . 1 1 59 59 GLY CA C 59 46.197 46.197 45.238 0.959 18261 1803 1 3 . 1 1 59 59 GLY H H 59 7.910 7.910 8.122 -0.212 18261 1804 1 3 . 1 1 60 60 ARG N N 60 118.258 118.258 117.941 0.317 18261 1805 1 3 . 1 1 60 60 ARG HA H 60 4.553 4.553 4.487 0.066 18261 1806 1 3 . 1 1 60 60 ARG C C 60 175.847 175.847 175.994 -0.147 18261 1807 1 3 . 1 1 60 60 ARG CA C 60 55.658 55.658 54.924 0.734 18261 1808 1 3 . 1 1 60 60 ARG CB C 60 31.714 31.714 30.991 0.723 18261 1809 1 3 . 1 1 60 60 ARG H H 60 8.108 8.108 7.788 0.320 18261 1810 1 3 . 1 1 61 61 THR N N 61 115.924 115.924 117.385 -1.461 18261 1811 1 3 . 1 1 61 61 THR HA H 61 4.785 4.785 4.317 0.468 18261 1812 1 3 . 1 1 61 61 THR C C 61 173.654 173.654 174.173 -0.519 18261 1813 1 3 . 1 1 61 61 THR CA C 61 63.140 63.140 62.967 0.173 18261 1814 1 3 . 1 1 61 61 THR CB C 61 68.602 68.602 67.778 0.824 18261 1815 1 3 . 1 1 61 61 THR H H 61 7.970 7.970 7.998 -0.028 18261 1816 1 3 . 1 1 62 62 SER N N 62 119.666 119.666 122.140 -2.474 18261 1817 1 3 . 1 1 62 62 SER HA H 62 4.902 4.902 4.839 0.063 18261 1818 1 3 . 1 1 62 62 SER C C 62 173.207 173.207 174.071 -0.864 18261 1819 1 3 . 1 1 62 62 SER CA C 62 56.193 56.193 56.361 -0.168 18261 1820 1 3 . 1 1 62 62 SER CB C 62 63.781 63.781 63.412 0.369 18261 1821 1 3 . 1 1 62 62 SER H H 62 7.788 7.788 7.844 -0.056 18261 1822 1 3 . 1 1 63 63 PRO HA H 63 4.313 4.313 4.289 0.024 18261 1823 1 3 . 1 1 63 63 PRO CA C 63 65.746 65.746 65.336 0.410 18261 1824 1 3 . 1 1 63 63 PRO CB C 63 32.147 32.147 31.861 0.286 18261 1825 1 3 . 1 1 64 64 ASN HA H 64 4.550 4.550 4.438 0.112 18261 1826 1 3 . 1 1 64 64 ASN CA C 64 56.202 56.202 56.133 0.069 18261 1827 1 3 . 1 1 64 64 ASN CB C 64 38.000 38.000 38.308 -0.308 18261 1828 1 3 . 1 1 65 65 LYS N N 65 120.530 120.530 120.046 0.484 18261 1829 1 3 . 1 1 65 65 LYS HA H 65 4.197 4.197 4.062 0.135 18261 1830 1 3 . 1 1 65 65 LYS C C 65 178.999 178.999 178.986 0.013 18261 1831 1 3 . 1 1 65 65 LYS CA C 65 58.250 58.250 58.863 -0.613 18261 1832 1 3 . 1 1 65 65 LYS CB C 65 32.498 32.498 31.873 0.625 18261 1833 1 3 . 1 1 65 65 LYS H H 65 7.770 7.770 8.025 -0.255 18261 1834 1 3 . 1 1 66 66 LEU N N 66 118.804 118.804 119.678 -0.874 18261 1835 1 3 . 1 1 66 66 LEU HA H 66 4.070 4.070 4.334 -0.264 18261 1836 1 3 . 1 1 66 66 LEU C C 66 178.928 178.928 179.609 -0.681 18261 1837 1 3 . 1 1 66 66 LEU CA C 66 57.928 57.928 57.212 0.717 18261 1838 1 3 . 1 1 66 66 LEU CB C 66 41.329 41.329 40.471 0.858 18261 1839 1 3 . 1 1 66 66 LEU H H 66 7.932 7.932 7.715 0.217 18261 1840 1 3 . 1 1 67 67 GLN N N 67 119.307 119.307 119.978 -0.671 18261 1841 1 3 . 1 1 67 67 GLN HA H 67 4.224 4.224 4.124 0.100 18261 1842 1 3 . 1 1 67 67 GLN C C 67 178.789 178.789 178.290 0.499 18261 1843 1 3 . 1 1 67 67 GLN CA C 67 58.862 58.862 59.196 -0.334 18261 1844 1 3 . 1 1 67 67 GLN CB C 67 28.052 28.052 28.733 -0.681 18261 1845 1 3 . 1 1 67 67 GLN H H 67 8.160 8.160 8.097 0.063 18261 1846 1 3 . 1 1 68 68 ALA N N 68 122.124 122.124 121.813 0.311 18261 1847 1 3 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.175 0.015 18261 1848 1 3 . 1 1 68 68 ALA C C 68 180.320 180.320 179.734 0.586 18261 1849 1 3 . 1 1 68 68 ALA CA C 68 55.282 55.282 54.820 0.462 18261 1850 1 3 . 1 1 68 68 ALA CB C 68 18.251 18.251 18.564 -0.313 18261 1851 1 3 . 1 1 68 68 ALA H H 68 7.844 7.844 7.933 -0.089 18261 1852 1 3 . 1 1 69 69 LEU N N 69 119.481 119.481 119.057 0.424 18261 1853 1 3 . 1 1 69 69 LEU HA H 69 3.912 3.912 3.783 0.129 18261 1854 1 3 . 1 1 69 69 LEU C C 69 178.864 178.864 178.724 0.140 18261 1855 1 3 . 1 1 69 69 LEU CA C 69 57.904 57.904 57.626 0.278 18261 1856 1 3 . 1 1 69 69 LEU CB C 69 41.052 41.052 41.024 0.028 18261 1857 1 3 . 1 1 69 69 LEU H H 69 7.819 7.819 8.592 -0.773 18261 1858 1 3 . 1 1 70 70 ASN N N 70 119.633 119.633 118.169 1.464 18261 1859 1 3 . 1 1 70 70 ASN HA H 70 4.553 4.553 4.498 0.055 18261 1860 1 3 . 1 1 70 70 ASN C C 70 177.483 177.483 177.191 0.292 18261 1861 1 3 . 1 1 70 70 ASN CA C 70 57.125 57.125 56.718 0.407 18261 1862 1 3 . 1 1 70 70 ASN CB C 70 38.392 38.392 38.236 0.156 18261 1863 1 3 . 1 1 70 70 ASN H H 70 8.265 8.265 8.147 0.118 18261 1864 1 3 . 1 1 71 71 MET N N 71 118.024 118.024 118.893 -0.869 18261 1865 1 3 . 1 1 71 71 MET HA H 71 4.201 4.201 4.151 0.050 18261 1866 1 3 . 1 1 71 71 MET C C 71 178.279 178.279 178.918 -0.639 18261 1867 1 3 . 1 1 71 71 MET CA C 71 59.445 59.445 59.523 -0.078 18261 1868 1 3 . 1 1 71 71 MET CB C 71 32.313 32.313 32.410 -0.097 18261 1869 1 3 . 1 1 71 71 MET H H 71 8.098 8.098 7.843 0.255 18261 1870 1 3 . 1 1 72 72 ARG N N 72 121.985 121.985 119.583 2.402 18261 1871 1 3 . 1 1 72 72 ARG HA H 72 3.981 3.981 4.049 -0.068 18261 1872 1 3 . 1 1 72 72 ARG C C 72 179.059 179.059 179.152 -0.093 18261 1873 1 3 . 1 1 72 72 ARG CA C 72 59.058 59.058 59.407 -0.349 18261 1874 1 3 . 1 1 72 72 ARG CB C 72 30.120 30.120 30.032 0.088 18261 1875 1 3 . 1 1 72 72 ARG H H 72 8.292 8.292 7.773 0.519 18261 1876 1 3 . 1 1 73 73 PHE N N 73 122.085 122.085 122.004 0.081 18261 1877 1 3 . 1 1 73 73 PHE HA H 73 4.529 4.529 4.267 0.262 18261 1878 1 3 . 1 1 73 73 PHE C C 73 177.258 177.258 177.063 0.195 18261 1879 1 3 . 1 1 73 73 PHE CA C 73 59.248 59.248 60.348 -1.100 18261 1880 1 3 . 1 1 73 73 PHE CB C 73 39.527 39.527 38.796 0.731 18261 1881 1 3 . 1 1 73 73 PHE H H 73 8.703 8.703 8.759 -0.056 18261 1882 1 3 . 1 1 74 74 ALA N N 74 119.273 119.273 120.539 -1.266 18261 1883 1 3 . 1 1 74 74 ALA HA H 74 3.764 3.764 3.805 -0.041 18261 1884 1 3 . 1 1 74 74 ALA C C 74 179.374 179.374 179.573 -0.199 18261 1885 1 3 . 1 1 74 74 ALA CA C 74 55.324 55.324 55.120 0.204 18261 1886 1 3 . 1 1 74 74 ALA CB C 74 20.509 20.509 18.509 2.001 18261 1887 1 3 . 1 1 74 74 ALA H H 74 8.598 8.598 8.149 0.449 18261 1888 1 3 . 1 1 75 75 SER N N 75 113.611 113.611 113.174 0.437 18261 1889 1 3 . 1 1 75 75 SER HA H 75 3.636 3.636 4.201 -0.565 18261 1890 1 3 . 1 1 75 75 SER CA C 75 61.936 61.936 61.089 0.847 18261 1891 1 3 . 1 1 75 75 SER CB C 75 61.869 61.869 62.798 -0.929 18261 1892 1 3 . 1 1 75 75 SER H H 75 8.780 8.780 8.001 0.779 18261 1893 1 3 . 1 1 76 76 SER N N 76 119.013 119.013 119.024 -0.011 18261 1894 1 3 . 1 1 76 76 SER HA H 76 4.310 4.310 4.272 0.038 18261 1895 1 3 . 1 1 76 76 SER CA C 76 62.536 62.536 61.434 1.102 18261 1896 1 3 . 1 1 76 76 SER CB C 76 62.943 62.943 62.903 0.040 18261 1897 1 3 . 1 1 76 76 SER H H 76 8.210 8.210 8.230 -0.020 18261 1898 1 3 . 1 1 77 77 MET N N 77 120.105 120.105 121.291 -1.186 18261 1899 1 3 . 1 1 77 77 MET HA H 77 4.027 4.027 4.131 -0.104 18261 1900 1 3 . 1 1 77 77 MET C C 77 178.354 178.354 177.989 0.365 18261 1901 1 3 . 1 1 77 77 MET CA C 77 59.954 59.954 58.788 1.166 18261 1902 1 3 . 1 1 77 77 MET CB C 77 34.616 34.616 32.077 2.539 18261 1903 1 3 . 1 1 77 77 MET H H 77 8.005 8.005 7.556 0.449 18261 1904 1 3 . 1 1 78 78 ALA N N 78 121.530 121.530 122.975 -1.445 18261 1905 1 3 . 1 1 78 78 ALA HA H 78 3.933 3.933 4.033 -0.100 18261 1906 1 3 . 1 1 78 78 ALA C C 78 178.354 178.354 179.702 -1.348 18261 1907 1 3 . 1 1 78 78 ALA CA C 78 55.427 55.427 55.464 -0.037 18261 1908 1 3 . 1 1 78 78 ALA CB C 78 20.344 20.344 17.776 2.568 18261 1909 1 3 . 1 1 78 78 ALA H H 78 8.550 8.550 7.791 0.759 18261 1910 1 3 . 1 1 79 79 GLU N N 79 117.137 117.137 118.183 -1.046 18261 1911 1 3 . 1 1 79 79 GLU HA H 79 3.919 3.919 4.015 -0.096 18261 1912 1 3 . 1 1 79 79 GLU C C 79 178.894 178.894 178.940 -0.046 18261 1913 1 3 . 1 1 79 79 GLU CA C 79 59.445 59.445 59.369 0.076 18261 1914 1 3 . 1 1 79 79 GLU CB C 79 29.895 29.895 29.627 0.268 18261 1915 1 3 . 1 1 79 79 GLU H H 79 7.737 7.737 7.719 0.018 18261 1916 1 3 . 1 1 80 80 ILE N N 80 118.063 118.063 119.669 -1.606 18261 1917 1 3 . 1 1 80 80 ILE HA H 80 3.932 3.932 3.876 0.056 18261 1918 1 3 . 1 1 80 80 ILE C C 80 179.014 179.014 178.723 0.291 18261 1919 1 3 . 1 1 80 80 ILE CA C 80 63.727 63.727 64.856 -1.129 18261 1920 1 3 . 1 1 80 80 ILE CB C 80 38.208 38.208 38.050 0.158 18261 1921 1 3 . 1 1 80 80 ILE H H 80 7.239 7.239 7.290 -0.051 18261 1922 1 3 . 1 1 81 81 ALA N N 81 121.494 121.494 122.059 -0.565 18261 1923 1 3 . 1 1 81 81 ALA HA H 81 3.961 3.961 4.249 -0.288 18261 1924 1 3 . 1 1 81 81 ALA C C 81 177.258 177.258 178.493 -1.235 18261 1925 1 3 . 1 1 81 81 ALA CA C 81 54.668 54.668 54.294 0.374 18261 1926 1 3 . 1 1 81 81 ALA CB C 81 17.887 17.887 18.461 -0.574 18261 1927 1 3 . 1 1 81 81 ALA H H 81 8.495 8.495 8.659 -0.164 18261 1928 1 3 . 1 1 82 82 ALA N N 82 116.416 116.416 119.261 -2.845 18261 1929 1 3 . 1 1 82 82 ALA HA H 82 4.316 4.316 4.132 0.184 18261 1930 1 3 . 1 1 82 82 ALA C C 82 177.693 177.693 177.702 -0.009 18261 1931 1 3 . 1 1 82 82 ALA CA C 82 52.630 52.630 53.335 -0.705 18261 1932 1 3 . 1 1 82 82 ALA CB C 82 19.224 19.224 18.819 0.405 18261 1933 1 3 . 1 1 82 82 ALA H H 82 8.034 8.034 8.073 -0.039 18261 1934 1 3 . 1 1 83 83 SER N N 83 112.672 112.672 115.397 -2.725 18261 1935 1 3 . 1 1 83 83 SER HA H 83 4.299 4.299 4.438 -0.139 18261 1936 1 3 . 1 1 83 83 SER C C 83 174.856 174.856 174.209 0.647 18261 1937 1 3 . 1 1 83 83 SER CA C 83 59.329 59.329 58.533 0.796 18261 1938 1 3 . 1 1 83 83 SER CB C 83 63.943 63.943 62.249 1.694 18261 1939 1 3 . 1 1 83 83 SER H H 83 7.437 7.437 7.566 -0.129 18261 1940 1 3 . 1 1 84 84 GLU N N 84 122.890 122.890 121.717 1.173 18261 1941 1 3 . 1 1 84 84 GLU HA H 84 4.420 4.420 4.156 0.264 18261 1942 1 3 . 1 1 84 84 GLU C C 84 176.597 176.597 176.363 0.234 18261 1943 1 3 . 1 1 84 84 GLU CA C 84 56.586 56.586 57.186 -0.600 18261 1944 1 3 . 1 1 84 84 GLU CB C 84 30.648 30.648 30.137 0.511 18261 1945 1 3 . 1 1 84 84 GLU H H 84 8.245 8.245 7.810 0.435 18261 1946 1 3 . 1 1 85 85 GLU N N 85 122.062 122.062 120.133 1.929 18261 1947 1 3 . 1 1 85 85 GLU HA H 85 4.285 4.285 4.063 0.222 18261 1948 1 3 . 1 1 85 85 GLU C C 85 177.258 177.258 176.950 0.308 18261 1949 1 3 . 1 1 85 85 GLU CA C 85 57.128 57.128 57.562 -0.434 18261 1950 1 3 . 1 1 85 85 GLU CB C 85 30.121 30.121 27.886 2.235 18261 1951 1 3 . 1 1 85 85 GLU H H 85 8.477 8.477 8.190 0.287 18261 1952 1 3 . 1 1 86 86 GLY N N 86 110.431 110.431 112.170 -1.739 18261 1953 1 3 . 1 1 86 86 GLY C C 86 174.856 174.856 173.336 1.520 18261 1954 1 3 . 1 1 86 86 GLY CA C 86 45.654 45.654 44.821 0.833 18261 1955 1 3 . 1 1 86 86 GLY H H 86 8.563 8.563 8.331 0.232 18261 1956 1 3 . 1 1 87 87 GLY N N 87 108.508 108.508 110.352 -1.844 18261 1957 1 3 . 1 1 87 87 GLY C C 87 174.436 174.436 173.349 1.087 18261 1958 1 3 . 1 1 87 87 GLY CA C 87 45.396 45.396 45.126 0.271 18261 1959 1 3 . 1 1 87 87 GLY H H 87 8.274 8.274 7.763 0.511 18261 1960 1 3 . 1 1 88 88 GLY N N 88 107.821 107.821 107.625 0.196 18261 1961 1 3 . 1 1 88 88 GLY C C 88 173.325 173.325 173.822 -0.497 18261 1962 1 3 . 1 1 88 88 GLY CA C 88 44.814 44.814 43.514 1.300 18261 1963 1 3 . 1 1 88 88 GLY H H 88 8.105 8.105 8.410 -0.305 18261 1964 1 3 . 1 1 89 89 SER N N 89 115.747 115.747 115.029 0.718 18261 1965 1 3 . 1 1 89 89 SER HA H 89 4.582 4.582 4.532 0.050 18261 1966 1 3 . 1 1 89 89 SER C C 89 175.066 175.066 176.265 -1.199 18261 1967 1 3 . 1 1 89 89 SER CA C 89 57.256 57.256 58.359 -1.103 18261 1968 1 3 . 1 1 89 89 SER CB C 89 65.130 65.130 63.921 1.209 18261 1969 1 3 . 1 1 89 89 SER H H 89 8.476 8.476 8.520 -0.044 18261 1970 1 3 . 1 1 90 90 LEU N N 90 124.735 124.735 123.262 1.473 18261 1971 1 3 . 1 1 90 90 LEU HA H 90 4.106 4.106 4.056 0.050 18261 1972 1 3 . 1 1 90 90 LEU C C 90 179.434 179.434 178.239 1.195 18261 1973 1 3 . 1 1 90 90 LEU CA C 90 58.434 58.434 57.815 0.619 18261 1974 1 3 . 1 1 90 90 LEU CB C 90 41.377 41.377 41.661 -0.284 18261 1975 1 3 . 1 1 90 90 LEU H H 90 8.860 8.860 8.815 0.045 18261 1976 1 3 . 1 1 91 91 SER N N 91 113.851 113.851 112.155 1.696 18261 1977 1 3 . 1 1 91 91 SER C C 91 177.325 177.325 176.149 1.176 18261 1978 1 3 . 1 1 91 91 SER CA C 91 61.261 61.261 61.148 0.113 18261 1979 1 3 . 1 1 91 91 SER CB C 91 62.010 62.010 62.408 -0.398 18261 1980 1 3 . 1 1 91 91 SER H H 91 8.537 8.537 8.418 0.119 18261 1981 1 3 . 1 1 92 92 THR N N 92 120.889 120.889 117.768 3.121 18261 1982 1 3 . 1 1 92 92 THR HA H 92 3.993 3.993 4.147 -0.154 18261 1983 1 3 . 1 1 92 92 THR C C 92 176.162 176.162 176.395 -0.233 18261 1984 1 3 . 1 1 92 92 THR CA C 92 66.467 66.467 65.963 0.504 18261 1985 1 3 . 1 1 92 92 THR CB C 92 68.285 68.285 68.527 -0.242 18261 1986 1 3 . 1 1 92 92 THR H H 92 7.795 7.795 7.690 0.105 18261 1987 1 3 . 1 1 93 93 LYS N N 93 120.210 120.210 121.643 -1.433 18261 1988 1 3 . 1 1 93 93 LYS HA H 93 3.798 3.798 4.167 -0.369 18261 1989 1 3 . 1 1 93 93 LYS CA C 93 61.044 61.044 58.982 2.062 18261 1990 1 3 . 1 1 93 93 LYS CB C 93 33.470 33.470 32.317 1.153 18261 1991 1 3 . 1 1 93 93 LYS H H 93 8.098 8.098 7.844 0.254 18261 1992 1 3 . 1 1 94 94 THR N N 94 111.485 111.485 114.778 -3.293 18261 1993 1 3 . 1 1 94 94 THR HA H 94 3.936 3.936 4.065 -0.129 18261 1994 1 3 . 1 1 94 94 THR C C 94 177.033 177.033 176.883 0.150 18261 1995 1 3 . 1 1 94 94 THR CA C 94 66.974 66.974 66.695 0.279 18261 1996 1 3 . 1 1 94 94 THR CB C 94 68.013 68.013 68.028 -0.015 18261 1997 1 3 . 1 1 94 94 THR H H 94 8.891 8.891 8.678 0.213 18261 1998 1 3 . 1 1 95 95 SER N N 95 118.938 118.938 118.543 0.395 18261 1999 1 3 . 1 1 95 95 SER HA H 95 4.394 4.394 4.201 0.193 18261 2000 1 3 . 1 1 95 95 SER C C 95 177.828 177.828 176.929 0.899 18261 2001 1 3 . 1 1 95 95 SER CA C 95 61.990 61.990 61.818 0.172 18261 2002 1 3 . 1 1 95 95 SER CB C 95 62.580 62.580 62.643 -0.063 18261 2003 1 3 . 1 1 95 95 SER H H 95 8.118 8.118 7.755 0.363 18261 2004 1 3 . 1 1 96 96 SER N N 96 121.520 121.520 118.940 2.580 18261 2005 1 3 . 1 1 96 96 SER HA H 96 4.457 4.457 4.252 0.205 18261 2006 1 3 . 1 1 96 96 SER CA C 96 62.695 62.695 62.303 0.392 18261 2007 1 3 . 1 1 96 96 SER CB C 96 62.796 62.796 63.068 -0.272 18261 2008 1 3 . 1 1 96 96 SER H H 96 8.603 8.603 7.534 1.069 18261 2009 1 3 . 1 1 97 97 ILE N N 97 122.420 122.420 122.666 -0.246 18261 2010 1 3 . 1 1 97 97 ILE HA H 97 3.792 3.792 3.692 0.100 18261 2011 1 3 . 1 1 97 97 ILE C C 97 177.693 177.693 178.032 -0.339 18261 2012 1 3 . 1 1 97 97 ILE CA C 97 66.722 66.722 65.894 0.828 18261 2013 1 3 . 1 1 97 97 ILE CB C 97 38.645 38.645 37.911 0.734 18261 2014 1 3 . 1 1 97 97 ILE H H 97 8.516 8.516 8.171 0.345 18261 2015 1 3 . 1 1 98 98 ALA N N 98 122.031 122.031 121.880 0.151 18261 2016 1 3 . 1 1 98 98 ALA HA H 98 4.063 4.063 4.078 -0.015 18261 2017 1 3 . 1 1 98 98 ALA C C 98 180.740 180.740 179.755 0.985 18261 2018 1 3 . 1 1 98 98 ALA CA C 98 56.158 56.158 55.495 0.663 18261 2019 1 3 . 1 1 98 98 ALA CB C 98 18.347 18.347 18.181 0.166 18261 2020 1 3 . 1 1 98 98 ALA H H 98 8.437 8.437 7.974 0.463 18261 2021 1 3 . 1 1 99 99 SER N N 99 115.676 115.676 115.228 0.448 18261 2022 1 3 . 1 1 99 99 SER HA H 99 4.369 4.369 4.191 0.178 18261 2023 1 3 . 1 1 99 99 SER C C 99 177.168 177.168 176.761 0.407 18261 2024 1 3 . 1 1 99 99 SER CA C 99 61.959 61.959 62.435 -0.476 18261 2025 1 3 . 1 1 99 99 SER CB C 99 63.160 63.160 62.977 0.183 18261 2026 1 3 . 1 1 99 99 SER H H 99 8.611 8.611 7.945 0.666 18261 2027 1 3 . 1 1 100 100 ALA N N 100 124.275 124.275 123.825 0.450 18261 2028 1 3 . 1 1 100 100 ALA HA H 100 4.243 4.243 4.096 0.147 18261 2029 1 3 . 1 1 100 100 ALA C C 100 181.851 181.851 179.004 2.847 18261 2030 1 3 . 1 1 100 100 ALA CA C 100 55.321 55.321 54.591 0.730 18261 2031 1 3 . 1 1 100 100 ALA CB C 100 18.479 18.479 18.404 0.076 18261 2032 1 3 . 1 1 100 100 ALA H H 100 8.973 8.973 7.743 1.230 18261 2033 1 3 . 1 1 101 101 MET N N 101 118.986 118.986 119.689 -0.703 18261 2034 1 3 . 1 1 101 101 MET HA H 101 4.063 4.063 4.142 -0.079 18261 2035 1 3 . 1 1 101 101 MET C C 101 177.483 177.483 178.410 -0.927 18261 2036 1 3 . 1 1 101 101 MET CA C 101 60.999 60.999 59.630 1.369 18261 2037 1 3 . 1 1 101 101 MET CB C 101 34.583 34.583 33.203 1.380 18261 2038 1 3 . 1 1 101 101 MET H H 101 9.072 9.072 8.586 0.486 18261 2039 1 3 . 1 1 102 102 SER N N 102 116.650 116.650 114.929 1.721 18261 2040 1 3 . 1 1 102 102 SER HA H 102 4.370 4.370 4.278 0.092 18261 2041 1 3 . 1 1 102 102 SER C C 102 176.357 176.357 176.689 -0.332 18261 2042 1 3 . 1 1 102 102 SER CA C 102 63.278 63.278 61.858 1.420 18261 2043 1 3 . 1 1 102 102 SER CB C 102 62.523 62.523 63.007 -0.484 18261 2044 1 3 . 1 1 102 102 SER H H 102 8.673 8.673 8.631 0.042 18261 2045 1 3 . 1 1 103 103 ASN N N 103 118.060 118.060 120.164 -2.104 18261 2046 1 3 . 1 1 103 103 ASN HA H 103 4.477 4.477 4.570 -0.093 18261 2047 1 3 . 1 1 103 103 ASN C C 103 176.603 176.603 176.993 -0.390 18261 2048 1 3 . 1 1 103 103 ASN CA C 103 56.564 56.564 55.576 0.988 18261 2049 1 3 . 1 1 103 103 ASN CB C 103 38.362 38.362 38.275 0.087 18261 2050 1 3 . 1 1 103 103 ASN H H 103 8.098 8.098 7.727 0.371 18261 2051 1 3 . 1 1 104 104 ALA N N 104 122.235 122.235 122.283 -0.048 18261 2052 1 3 . 1 1 104 104 ALA HA H 104 4.255 4.255 3.930 0.325 18261 2053 1 3 . 1 1 104 104 ALA C C 104 181.701 181.701 179.459 2.242 18261 2054 1 3 . 1 1 104 104 ALA CA C 104 54.815 54.815 54.808 0.007 18261 2055 1 3 . 1 1 104 104 ALA CB C 104 18.177 18.177 17.690 0.487 18261 2056 1 3 . 1 1 104 104 ALA H H 104 7.919 7.919 7.941 -0.022 18261 2057 1 3 . 1 1 105 105 PHE N N 105 119.159 119.159 119.305 -0.146 18261 2058 1 3 . 1 1 105 105 PHE HA H 105 4.401 4.401 4.631 -0.230 18261 2059 1 3 . 1 1 105 105 PHE C C 105 179.224 179.224 178.004 1.220 18261 2060 1 3 . 1 1 105 105 PHE CA C 105 63.744 63.744 60.320 3.424 18261 2061 1 3 . 1 1 105 105 PHE CB C 105 39.417 39.417 39.189 0.228 18261 2062 1 3 . 1 1 105 105 PHE H H 105 8.615 8.615 7.660 0.955 18261 2063 1 3 . 1 1 106 106 LEU N N 106 121.765 121.765 119.262 2.503 18261 2064 1 3 . 1 1 106 106 LEU HA H 106 3.741 3.741 4.075 -0.334 18261 2065 1 3 . 1 1 106 106 LEU C C 106 179.074 179.074 179.554 -0.480 18261 2066 1 3 . 1 1 106 106 LEU CA C 106 59.086 59.086 58.284 0.802 18261 2067 1 3 . 1 1 106 106 LEU CB C 106 41.265 41.265 41.446 -0.181 18261 2068 1 3 . 1 1 106 106 LEU H H 106 8.259 8.259 7.732 0.527 18261 2069 1 3 . 1 1 107 107 GLN N N 107 114.755 114.755 117.478 -2.723 18261 2070 1 3 . 1 1 107 107 GLN HA H 107 4.189 4.189 4.170 0.019 18261 2071 1 3 . 1 1 107 107 GLN C C 107 176.822 176.822 177.799 -0.977 18261 2072 1 3 . 1 1 107 107 GLN CA C 107 57.461 57.461 58.175 -0.714 18261 2073 1 3 . 1 1 107 107 GLN CB C 107 29.393 29.393 28.434 0.959 18261 2074 1 3 . 1 1 107 107 GLN H H 107 8.176 8.176 8.268 -0.092 18261 2075 1 3 . 1 1 108 108 THR N N 108 108.074 108.074 110.726 -2.652 18261 2076 1 3 . 1 1 108 108 THR HA H 108 4.517 4.517 4.429 0.088 18261 2077 1 3 . 1 1 108 108 THR C C 108 175.952 175.952 175.938 0.014 18261 2078 1 3 . 1 1 108 108 THR CA C 108 62.526 62.526 64.188 -1.662 18261 2079 1 3 . 1 1 108 108 THR CB C 108 70.320 70.320 69.542 0.778 18261 2080 1 3 . 1 1 108 108 THR H H 108 7.740 7.740 7.757 -0.017 18261 2081 1 3 . 1 1 109 109 THR N N 109 113.029 113.029 112.989 0.040 18261 2082 1 3 . 1 1 109 109 THR HA H 109 4.620 4.620 4.515 0.105 18261 2083 1 3 . 1 1 109 109 THR C C 109 176.162 176.162 175.588 0.574 18261 2084 1 3 . 1 1 109 109 THR CA C 109 62.255 62.255 61.840 0.415 18261 2085 1 3 . 1 1 109 109 THR CB C 109 70.768 70.768 69.828 0.940 18261 2086 1 3 . 1 1 109 109 THR H H 109 8.869 8.869 8.020 0.849 18261 2087 1 3 . 1 1 110 110 GLY N N 110 109.433 109.433 110.401 -0.968 18261 2088 1 3 . 1 1 110 110 GLY C C 110 172.889 172.889 173.743 -0.854 18261 2089 1 3 . 1 1 110 110 GLY CA C 110 45.555 45.555 45.675 -0.120 18261 2090 1 3 . 1 1 110 110 GLY H H 110 8.298 8.298 8.343 -0.045 18261 2091 1 3 . 1 1 111 111 VAL N N 111 119.167 119.167 119.243 -0.076 18261 2092 1 3 . 1 1 111 111 VAL HA H 111 4.266 4.266 4.393 -0.127 18261 2093 1 3 . 1 1 111 111 VAL C C 111 174.421 174.421 174.734 -0.313 18261 2094 1 3 . 1 1 111 111 VAL CA C 111 60.783 60.783 60.652 0.131 18261 2095 1 3 . 1 1 111 111 VAL CB C 111 35.394 35.394 35.576 -0.182 18261 2096 1 3 . 1 1 111 111 VAL H H 111 7.786 7.786 7.573 0.213 18261 2097 1 3 . 1 1 112 112 VAL N N 112 124.920 124.920 122.727 2.193 18261 2098 1 3 . 1 1 112 112 VAL HA H 112 3.251 3.251 3.813 -0.562 18261 2099 1 3 . 1 1 112 112 VAL C C 112 174.646 174.646 174.229 0.417 18261 2100 1 3 . 1 1 112 112 VAL CA C 112 64.409 64.409 59.760 4.649 18261 2101 1 3 . 1 1 112 112 VAL CB C 112 32.626 32.626 35.217 -2.591 18261 2102 1 3 . 1 1 112 112 VAL H H 112 8.721 8.721 8.086 0.635 18261 2103 1 3 . 1 1 113 113 ASN HA H 113 4.505 4.505 4.543 -0.038 18261 2104 1 3 . 1 1 113 113 ASN CA C 113 50.080 50.080 52.233 -2.153 18261 2105 1 3 . 1 1 113 113 ASN CB C 113 36.910 36.910 37.850 -0.940 18261 2106 1 3 . 1 1 114 114 GLN N N 114 123.939 123.939 128.245 -4.306 18261 2107 1 3 . 1 1 114 114 GLN HA H 114 3.944 3.944 4.305 -0.361 18261 2108 1 3 . 1 1 114 114 GLN C C 114 174.811 174.811 175.008 -0.197 18261 2109 1 3 . 1 1 114 114 GLN CA C 114 59.348 59.348 60.264 -0.916 18261 2110 1 3 . 1 1 114 114 GLN CB C 114 26.505 26.505 26.953 -0.448 18261 2111 1 3 . 1 1 114 114 GLN H H 114 8.368 8.368 8.159 0.209 18261 2112 1 3 . 1 1 115 115 PRO HA H 115 4.243 4.243 4.154 0.089 18261 2113 1 3 . 1 1 115 115 PRO CA C 115 66.602 66.602 66.245 0.357 18261 2114 1 3 . 1 1 115 115 PRO CB C 115 31.215 31.215 31.357 -0.142 18261 2115 1 3 . 1 1 116 116 PHE N N 116 117.612 117.612 117.639 -0.027 18261 2116 1 3 . 1 1 116 116 PHE HA H 116 4.209 4.209 4.781 -0.572 18261 2117 1 3 . 1 1 116 116 PHE C C 116 176.597 176.597 178.014 -1.417 18261 2118 1 3 . 1 1 116 116 PHE CA C 116 61.261 61.261 61.217 0.044 18261 2119 1 3 . 1 1 116 116 PHE CB C 116 39.506 39.506 39.800 -0.294 18261 2120 1 3 . 1 1 116 116 PHE H H 116 7.249 7.249 8.388 -1.139 18261 2121 1 3 . 1 1 117 117 ILE N N 117 119.233 119.233 119.867 -0.634 18261 2122 1 3 . 1 1 117 117 ILE HA H 117 3.537 3.537 3.799 -0.262 18261 2123 1 3 . 1 1 117 117 ILE C C 117 178.789 178.789 178.080 0.709 18261 2124 1 3 . 1 1 117 117 ILE CA C 117 65.677 65.677 65.178 0.499 18261 2125 1 3 . 1 1 117 117 ILE CB C 117 38.125 38.125 37.611 0.514 18261 2126 1 3 . 1 1 117 117 ILE H H 117 7.652 7.652 7.868 -0.216 18261 2127 1 3 . 1 1 118 118 ASN N N 118 119.875 119.875 119.835 0.040 18261 2128 1 3 . 1 1 118 118 ASN HA H 118 4.304 4.304 4.563 -0.259 18261 2129 1 3 . 1 1 118 118 ASN C C 118 177.033 177.033 177.942 -0.909 18261 2130 1 3 . 1 1 118 118 ASN CA C 118 55.716 55.716 56.093 -0.377 18261 2131 1 3 . 1 1 118 118 ASN CB C 118 37.423 37.423 37.794 -0.371 18261 2132 1 3 . 1 1 118 118 ASN H H 118 8.975 8.975 8.560 0.415 18261 2133 1 3 . 1 1 119 119 GLU N N 119 121.029 121.029 120.872 0.157 18261 2134 1 3 . 1 1 119 119 GLU HA H 119 4.026 4.026 4.017 0.009 18261 2135 1 3 . 1 1 119 119 GLU C C 119 178.564 178.564 178.985 -0.421 18261 2136 1 3 . 1 1 119 119 GLU CA C 119 59.426 59.426 59.216 0.210 18261 2137 1 3 . 1 1 119 119 GLU CB C 119 29.646 29.646 29.525 0.121 18261 2138 1 3 . 1 1 119 119 GLU H H 119 8.120 8.120 7.480 0.640 18261 2139 1 3 . 1 1 120 120 ILE N N 120 117.654 117.654 119.610 -1.956 18261 2140 1 3 . 1 1 120 120 ILE HA H 120 3.734 3.734 3.848 -0.114 18261 2141 1 3 . 1 1 120 120 ILE C C 120 178.279 178.279 178.361 -0.082 18261 2142 1 3 . 1 1 120 120 ILE CA C 120 62.756 62.756 65.248 -2.492 18261 2143 1 3 . 1 1 120 120 ILE CB C 120 35.645 35.645 38.071 -2.426 18261 2144 1 3 . 1 1 120 120 ILE H H 120 8.077 8.077 7.765 0.312 18261 2145 1 3 . 1 1 121 121 THR N N 121 112.585 112.585 114.457 -1.872 18261 2146 1 3 . 1 1 121 121 THR HA H 121 3.753 3.753 3.972 -0.219 18261 2147 1 3 . 1 1 121 121 THR C C 121 177.258 177.258 176.943 0.315 18261 2148 1 3 . 1 1 121 121 THR CA C 121 67.090 67.090 66.798 0.292 18261 2149 1 3 . 1 1 121 121 THR CB C 121 68.254 68.254 68.176 0.078 18261 2150 1 3 . 1 1 121 121 THR H H 121 8.640 8.640 8.384 0.256 18261 2151 1 3 . 1 1 122 122 GLN N N 122 123.063 123.063 120.546 2.517 18261 2152 1 3 . 1 1 122 122 GLN HA H 122 4.091 4.091 4.162 -0.071 18261 2153 1 3 . 1 1 122 122 GLN C C 122 179.014 179.014 178.562 0.452 18261 2154 1 3 . 1 1 122 122 GLN CA C 122 59.192 59.192 58.350 0.842 18261 2155 1 3 . 1 1 122 122 GLN CB C 122 28.020 28.020 28.130 -0.110 18261 2156 1 3 . 1 1 122 122 GLN H H 122 8.111 8.111 7.752 0.359 18261 2157 1 3 . 1 1 123 123 LEU N N 123 120.494 120.494 120.900 -0.406 18261 2158 1 3 . 1 1 123 123 LEU HA H 123 3.841 3.841 4.029 -0.188 18261 2159 1 3 . 1 1 123 123 LEU C C 123 178.354 178.354 179.112 -0.758 18261 2160 1 3 . 1 1 123 123 LEU CA C 123 58.005 58.005 58.068 -0.063 18261 2161 1 3 . 1 1 123 123 LEU CB C 123 42.580 42.580 41.563 1.016 18261 2162 1 3 . 1 1 123 123 LEU H H 123 8.131 8.131 7.781 0.350 18261 2163 1 3 . 1 1 124 124 VAL N N 124 118.543 118.543 121.284 -2.741 18261 2164 1 3 . 1 1 124 124 VAL HA H 124 3.560 3.560 3.829 -0.269 18261 2165 1 3 . 1 1 124 124 VAL C C 124 177.453 177.453 178.489 -1.036 18261 2166 1 3 . 1 1 124 124 VAL CA C 124 67.297 67.297 66.996 0.301 18261 2167 1 3 . 1 1 124 124 VAL CB C 124 31.526 31.526 31.316 0.210 18261 2168 1 3 . 1 1 124 124 VAL H H 124 8.732 8.732 8.782 -0.050 18261 2169 1 3 . 1 1 125 125 SER N N 125 112.449 112.449 115.040 -2.591 18261 2170 1 3 . 1 1 125 125 SER HA H 125 4.044 4.044 4.073 -0.029 18261 2171 1 3 . 1 1 125 125 SER C C 125 175.937 175.937 176.749 -0.812 18261 2172 1 3 . 1 1 125 125 SER CA C 125 62.356 62.356 62.234 0.121 18261 2173 1 3 . 1 1 125 125 SER CB C 125 62.890 62.890 62.994 -0.104 18261 2174 1 3 . 1 1 125 125 SER H H 125 7.863 7.863 7.892 -0.029 18261 2175 1 3 . 1 1 126 126 MET N N 126 120.797 120.797 121.262 -0.465 18261 2176 1 3 . 1 1 126 126 MET HA H 126 4.051 4.051 4.042 0.009 18261 2177 1 3 . 1 1 126 126 MET C C 126 179.254 179.254 178.129 1.125 18261 2178 1 3 . 1 1 126 126 MET CA C 126 58.939 58.939 58.776 0.163 18261 2179 1 3 . 1 1 126 126 MET CB C 126 32.625 32.625 32.590 0.035 18261 2180 1 3 . 1 1 126 126 MET H H 126 8.033 8.033 8.021 0.012 18261 2181 1 3 . 1 1 127 127 PHE N N 127 118.244 118.244 117.463 0.781 18261 2182 1 3 . 1 1 127 127 PHE HA H 127 4.398 4.398 4.295 0.103 18261 2183 1 3 . 1 1 127 127 PHE C C 127 178.128 178.128 177.042 1.086 18261 2184 1 3 . 1 1 127 127 PHE CA C 127 59.991 59.991 60.351 -0.360 18261 2185 1 3 . 1 1 127 127 PHE CB C 127 38.584 38.584 38.487 0.097 18261 2186 1 3 . 1 1 127 127 PHE H H 127 8.753 8.753 8.387 0.366 18261 2187 1 3 . 1 1 128 128 ALA N N 128 120.518 120.518 121.902 -1.384 18261 2188 1 3 . 1 1 128 128 ALA HA H 128 4.152 4.152 4.276 -0.124 18261 2189 1 3 . 1 1 128 128 ALA C C 128 178.789 178.789 180.315 -1.526 18261 2190 1 3 . 1 1 128 128 ALA CA C 128 54.570 54.570 54.645 -0.075 18261 2191 1 3 . 1 1 128 128 ALA CB C 128 19.373 19.373 18.575 0.798 18261 2192 1 3 . 1 1 128 128 ALA H H 128 8.681 8.681 8.452 0.229 18261 2193 1 3 . 1 1 129 129 GLN N N 129 115.315 115.315 117.498 -2.183 18261 2194 1 3 . 1 1 129 129 GLN HA H 129 4.197 4.197 4.108 0.089 18261 2195 1 3 . 1 1 129 129 GLN C C 129 177.258 177.258 177.490 -0.232 18261 2196 1 3 . 1 1 129 129 GLN CA C 129 57.519 57.519 58.081 -0.562 18261 2197 1 3 . 1 1 129 129 GLN CB C 129 29.271 29.271 28.355 0.916 18261 2198 1 3 . 1 1 129 129 GLN H H 129 7.835 7.835 7.878 -0.043 18261 2199 1 3 . 1 1 130 130 ALA N N 130 121.556 121.556 119.507 2.049 18261 2200 1 3 . 1 1 130 130 ALA HA H 130 4.285 4.285 4.417 -0.132 18261 2201 1 3 . 1 1 130 130 ALA C C 130 178.564 178.564 178.304 0.260 18261 2202 1 3 . 1 1 130 130 ALA CA C 130 53.823 53.823 52.653 1.170 18261 2203 1 3 . 1 1 130 130 ALA CB C 130 19.058 19.058 18.585 0.473 18261 2204 1 3 . 1 1 130 130 ALA H H 130 7.758 7.758 7.506 0.252 18261 2205 1 3 . 1 1 131 131 GLY N N 131 105.780 105.780 106.116 -0.336 18261 2206 1 3 . 1 1 131 131 GLY C C 131 173.970 173.970 175.216 -1.246 18261 2207 1 3 . 1 1 131 131 GLY CA C 131 45.702 45.702 45.818 -0.116 18261 2208 1 3 . 1 1 131 131 GLY H H 131 8.222 8.222 7.956 0.266 18261 2209 1 3 . 1 1 132 132 MET N N 132 118.358 118.358 119.300 -0.942 18261 2210 1 3 . 1 1 132 132 MET HA H 132 4.540 4.540 4.412 0.128 18261 2211 1 3 . 1 1 132 132 MET C C 132 175.952 175.952 177.024 -1.072 18261 2212 1 3 . 1 1 132 132 MET CA C 132 55.611 55.611 57.299 -1.688 18261 2213 1 3 . 1 1 132 132 MET CB C 132 33.473 33.473 33.621 -0.148 18261 2214 1 3 . 1 1 132 132 MET H H 132 7.763 7.763 7.392 0.371 18261 2215 1 3 . 1 1 133 133 ASN N N 133 119.002 119.002 118.708 0.294 18261 2216 1 3 . 1 1 133 133 ASN HA H 133 4.725 4.725 4.767 -0.042 18261 2217 1 3 . 1 1 133 133 ASN C C 133 174.646 174.646 174.731 -0.085 18261 2218 1 3 . 1 1 133 133 ASN CA C 133 53.512 53.512 53.102 0.410 18261 2219 1 3 . 1 1 133 133 ASN CB C 133 39.301 39.301 40.289 -0.988 18261 2220 1 3 . 1 1 133 133 ASN H H 133 8.289 8.289 7.669 0.620 18261 2221 1 3 . 1 1 134 134 ASP N N 134 120.907 120.907 125.750 -4.843 18261 2222 1 3 . 1 1 134 134 ASP HA H 134 4.659 4.659 4.604 0.055 18261 2223 1 3 . 1 1 134 134 ASP C C 134 176.162 176.162 175.502 0.660 18261 2224 1 3 . 1 1 134 134 ASP CA C 134 54.379 54.379 55.711 -1.331 18261 2225 1 3 . 1 1 134 134 ASP CB C 134 41.291 41.291 39.351 1.940 18261 2226 1 3 . 1 1 134 134 ASP H H 134 8.364 8.364 8.715 -0.351 18261 2227 1 3 . 1 1 135 135 VAL N N 135 119.971 119.971 121.511 -1.540 18261 2228 1 3 . 1 1 135 135 VAL HA H 135 4.214 4.214 4.233 -0.019 18261 2229 1 3 . 1 1 135 135 VAL C C 135 176.162 176.162 175.357 0.805 18261 2230 1 3 . 1 1 135 135 VAL CA C 135 62.157 62.157 61.063 1.094 18261 2231 1 3 . 1 1 135 135 VAL CB C 135 32.644 32.644 33.100 -0.456 18261 2232 1 3 . 1 1 135 135 VAL H H 135 8.118 8.118 7.841 0.277 18261 2233 1 3 . 1 1 136 136 SER N N 136 119.918 119.918 118.376 1.542 18261 2234 1 3 . 1 1 136 136 SER HA H 136 4.462 4.462 4.622 -0.160 18261 2235 1 3 . 1 1 136 136 SER C C 136 173.325 173.325 173.986 -0.661 18261 2236 1 3 . 1 1 136 136 SER CA C 136 58.342 58.342 57.870 0.472 18261 2237 1 3 . 1 1 136 136 SER CB C 136 64.041 64.041 62.104 1.937 18261 2238 1 3 . 1 1 136 136 SER H H 136 8.410 8.410 8.251 0.159 18261 2239 1 4 . 1 1 3 3 GLY CA C 3 45.200 45.200 44.832 0.368 18261 2240 1 4 . 1 1 4 4 ASN N N 4 124.083 124.083 119.211 4.872 18261 2241 1 4 . 1 1 4 4 ASN HA H 4 4.530 4.530 4.584 -0.054 18261 2242 1 4 . 1 1 4 4 ASN C C 4 179.449 179.449 176.840 2.609 18261 2243 1 4 . 1 1 4 4 ASN CA C 4 54.803 54.803 54.518 0.285 18261 2244 1 4 . 1 1 4 4 ASN CB C 4 41.106 41.106 38.730 2.376 18261 2245 1 4 . 1 1 4 4 ASN H H 4 7.981 7.981 8.635 -0.654 18261 2246 1 4 . 1 1 6 6 HIS HA H 6 4.693 4.693 4.746 -0.053 18261 2247 1 4 . 1 1 6 6 HIS CA C 6 56.115 56.115 55.115 1.000 18261 2248 1 4 . 1 1 6 6 HIS CB C 6 31.011 31.011 29.788 1.223 18261 2249 1 4 . 1 1 7 7 THR N N 7 115.238 115.238 118.821 -3.583 18261 2250 1 4 . 1 1 7 7 THR HA H 7 4.318 4.318 4.333 -0.015 18261 2251 1 4 . 1 1 7 7 THR C C 7 173.970 173.970 173.898 0.072 18261 2252 1 4 . 1 1 7 7 THR CA C 7 62.099 62.099 63.442 -1.343 18261 2253 1 4 . 1 1 7 7 THR CB C 7 69.779 69.779 68.058 1.721 18261 2254 1 4 . 1 1 7 7 THR H H 7 8.120 8.120 8.235 -0.115 18261 2255 1 4 . 1 1 8 8 THR N N 8 115.713 115.713 122.511 -6.798 18261 2256 1 4 . 1 1 8 8 THR HA H 8 4.146 4.146 4.379 -0.233 18261 2257 1 4 . 1 1 8 8 THR C C 8 172.664 172.664 173.107 -0.443 18261 2258 1 4 . 1 1 8 8 THR CA C 8 58.349 58.349 59.500 -1.151 18261 2259 1 4 . 1 1 8 8 THR CB C 8 69.219 69.219 70.716 -1.497 18261 2260 1 4 . 1 1 8 8 THR H H 8 7.977 7.977 7.850 0.127 18261 2261 1 4 . 1 1 9 9 PRO HA H 9 3.939 3.939 4.165 -0.226 18261 2262 1 4 . 1 1 9 9 PRO CA C 9 62.965 62.965 64.028 -1.062 18261 2263 1 4 . 1 1 9 9 PRO CB C 9 30.610 30.610 30.797 -0.187 18261 2264 1 4 . 1 1 10 10 TRP N N 10 111.487 111.487 114.628 -3.141 18261 2265 1 4 . 1 1 10 10 TRP HA H 10 4.899 4.899 4.659 0.240 18261 2266 1 4 . 1 1 10 10 TRP C C 10 175.817 175.817 176.795 -0.978 18261 2267 1 4 . 1 1 10 10 TRP CA C 10 54.292 54.292 55.432 -1.140 18261 2268 1 4 . 1 1 10 10 TRP CB C 10 31.219 31.219 28.889 2.330 18261 2269 1 4 . 1 1 10 10 TRP H H 10 6.681 6.681 7.127 -0.446 18261 2270 1 4 . 1 1 11 11 THR N N 11 106.120 106.120 115.186 -9.066 18261 2271 1 4 . 1 1 11 11 THR HA H 11 3.905 3.905 4.085 -0.180 18261 2272 1 4 . 1 1 11 11 THR C C 11 173.970 173.970 173.976 -0.006 18261 2273 1 4 . 1 1 11 11 THR CA C 11 63.937 63.937 65.061 -1.124 18261 2274 1 4 . 1 1 11 11 THR CB C 11 69.242 69.242 68.983 0.259 18261 2275 1 4 . 1 1 11 11 THR H H 11 7.189 7.189 7.640 -0.451 18261 2276 1 4 . 1 1 12 12 ASN N N 12 116.403 116.403 115.507 0.896 18261 2277 1 4 . 1 1 12 12 ASN HA H 12 5.115 5.115 5.159 -0.044 18261 2278 1 4 . 1 1 12 12 ASN C C 12 172.889 172.889 173.839 -0.950 18261 2279 1 4 . 1 1 12 12 ASN CA C 12 51.276 51.276 50.672 0.604 18261 2280 1 4 . 1 1 12 12 ASN CB C 12 40.474 40.474 40.381 0.093 18261 2281 1 4 . 1 1 12 12 ASN H H 12 7.282 7.282 7.931 -0.649 18261 2282 1 4 . 1 1 13 13 PRO HA H 13 4.210 4.210 4.347 -0.137 18261 2283 1 4 . 1 1 13 13 PRO CA C 13 65.516 65.516 66.118 -0.603 18261 2284 1 4 . 1 1 13 13 PRO CB C 13 32.418 32.418 32.078 0.340 18261 2285 1 4 . 1 1 14 14 GLY N N 14 108.796 108.796 106.953 1.843 18261 2286 1 4 . 1 1 14 14 GLY C C 14 175.952 175.952 176.659 -0.707 18261 2287 1 4 . 1 1 14 14 GLY CA C 14 47.073 47.073 46.533 0.540 18261 2288 1 4 . 1 1 14 14 GLY H H 14 8.363 8.363 8.463 -0.100 18261 2289 1 4 . 1 1 15 15 LEU N N 15 124.473 124.473 123.770 0.703 18261 2290 1 4 . 1 1 15 15 LEU HA H 15 4.335 4.335 4.171 0.164 18261 2291 1 4 . 1 1 15 15 LEU C C 15 178.564 178.564 178.873 -0.309 18261 2292 1 4 . 1 1 15 15 LEU CA C 15 57.402 57.402 57.517 -0.115 18261 2293 1 4 . 1 1 15 15 LEU CB C 15 41.600 41.600 41.233 0.367 18261 2294 1 4 . 1 1 15 15 LEU H H 15 7.890 7.890 7.769 0.121 18261 2295 1 4 . 1 1 16 16 ALA N N 16 121.371 121.371 121.447 -0.076 18261 2296 1 4 . 1 1 16 16 ALA HA H 16 4.000 4.000 4.116 -0.116 18261 2297 1 4 . 1 1 16 16 ALA C C 16 179.104 179.104 179.853 -0.749 18261 2298 1 4 . 1 1 16 16 ALA CA C 16 56.360 56.360 55.330 1.030 18261 2299 1 4 . 1 1 16 16 ALA CB C 16 19.351 19.351 18.343 1.008 18261 2300 1 4 . 1 1 16 16 ALA H H 16 8.429 8.429 8.295 0.134 18261 2301 1 4 . 1 1 17 17 GLU N N 17 117.199 117.199 119.353 -2.154 18261 2302 1 4 . 1 1 17 17 GLU HA H 17 3.964 3.964 3.952 0.012 18261 2303 1 4 . 1 1 17 17 GLU C C 17 177.993 177.993 178.911 -0.918 18261 2304 1 4 . 1 1 17 17 GLU CA C 17 59.543 59.543 59.884 -0.341 18261 2305 1 4 . 1 1 17 17 GLU CB C 17 29.932 29.932 29.720 0.212 18261 2306 1 4 . 1 1 17 17 GLU H H 17 8.030 8.030 8.349 -0.319 18261 2307 1 4 . 1 1 18 18 ASN N N 18 118.433 118.433 118.107 0.326 18261 2308 1 4 . 1 1 18 18 ASN HA H 18 4.546 4.546 4.521 0.025 18261 2309 1 4 . 1 1 18 18 ASN C C 18 178.347 178.347 177.746 0.601 18261 2310 1 4 . 1 1 18 18 ASN CA C 18 56.226 56.226 56.444 -0.218 18261 2311 1 4 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.632 -0.508 18261 2312 1 4 . 1 1 18 18 ASN H H 18 8.075 8.075 8.025 0.050 18261 2313 1 4 . 1 1 19 19 PHE N N 19 122.078 122.078 123.878 -1.800 18261 2314 1 4 . 1 1 19 19 PHE HA H 19 3.881 3.881 4.279 -0.398 18261 2315 1 4 . 1 1 19 19 PHE C C 19 176.837 176.837 177.403 -0.566 18261 2316 1 4 . 1 1 19 19 PHE CA C 19 62.230 62.230 61.968 0.262 18261 2317 1 4 . 1 1 19 19 PHE CB C 19 39.450 39.450 39.336 0.114 18261 2318 1 4 . 1 1 19 19 PHE H H 19 9.623 9.623 8.863 0.760 18261 2319 1 4 . 1 1 20 20 MET N N 20 118.264 118.264 117.115 1.149 18261 2320 1 4 . 1 1 20 20 MET HA H 20 4.424 4.424 4.085 0.339 18261 2321 1 4 . 1 1 20 20 MET C C 20 178.924 178.924 178.533 0.391 18261 2322 1 4 . 1 1 20 20 MET CA C 20 57.480 57.480 57.236 0.244 18261 2323 1 4 . 1 1 20 20 MET CB C 20 31.929 31.929 31.247 0.682 18261 2324 1 4 . 1 1 20 20 MET H H 20 8.865 8.865 8.658 0.207 18261 2325 1 4 . 1 1 21 21 ASN N N 21 118.455 118.455 119.299 -0.844 18261 2326 1 4 . 1 1 21 21 ASN HA H 21 4.542 4.542 4.385 0.157 18261 2327 1 4 . 1 1 21 21 ASN C C 21 178.249 178.249 177.589 0.660 18261 2328 1 4 . 1 1 21 21 ASN CA C 21 56.305 56.305 57.438 -1.133 18261 2329 1 4 . 1 1 21 21 ASN CB C 21 37.916 37.916 38.347 -0.431 18261 2330 1 4 . 1 1 21 21 ASN H H 21 8.453 8.453 8.474 -0.021 18261 2331 1 4 . 1 1 22 22 SER N N 22 116.036 116.036 115.734 0.302 18261 2332 1 4 . 1 1 22 22 SER HA H 22 4.196 4.196 4.232 -0.036 18261 2333 1 4 . 1 1 22 22 SER C C 22 178.143 178.143 176.651 1.492 18261 2334 1 4 . 1 1 22 22 SER CA C 22 62.256 62.256 60.966 1.290 18261 2335 1 4 . 1 1 22 22 SER CB C 22 62.870 62.870 62.811 0.059 18261 2336 1 4 . 1 1 22 22 SER H H 22 7.959 7.959 8.282 -0.323 18261 2337 1 4 . 1 1 23 23 PHE N N 23 124.987 124.987 124.760 0.227 18261 2338 1 4 . 1 1 23 23 PHE HA H 23 4.005 4.005 4.166 -0.161 18261 2339 1 4 . 1 1 23 23 PHE C C 23 175.652 175.652 177.292 -1.640 18261 2340 1 4 . 1 1 23 23 PHE CA C 23 60.525 60.525 61.197 -0.672 18261 2341 1 4 . 1 1 23 23 PHE CB C 23 38.899 38.899 38.836 0.063 18261 2342 1 4 . 1 1 23 23 PHE H H 23 9.045 9.045 8.361 0.684 18261 2343 1 4 . 1 1 24 24 MET N N 24 117.260 117.260 117.096 0.164 18261 2344 1 4 . 1 1 24 24 MET HA H 24 4.040 4.040 3.834 0.206 18261 2345 1 4 . 1 1 24 24 MET C C 24 179.797 179.797 178.713 1.084 18261 2346 1 4 . 1 1 24 24 MET CA C 24 56.047 56.047 58.361 -2.314 18261 2347 1 4 . 1 1 24 24 MET CB C 24 30.308 30.308 31.539 -1.231 18261 2348 1 4 . 1 1 24 24 MET H H 24 8.302 8.302 8.489 -0.187 18261 2349 1 4 . 1 1 25 25 GLN N N 25 120.167 120.167 118.632 1.535 18261 2350 1 4 . 1 1 25 25 GLN HA H 25 3.985 3.985 4.040 -0.055 18261 2351 1 4 . 1 1 25 25 GLN C C 25 179.870 179.870 178.279 1.591 18261 2352 1 4 . 1 1 25 25 GLN CA C 25 59.136 59.136 58.839 0.297 18261 2353 1 4 . 1 1 25 25 GLN CB C 25 28.234 28.234 28.255 -0.021 18261 2354 1 4 . 1 1 25 25 GLN H H 25 8.038 8.038 8.478 -0.440 18261 2355 1 4 . 1 1 26 26 GLY N N 26 107.636 107.636 104.966 2.670 18261 2356 1 4 . 1 1 26 26 GLY C C 26 176.387 176.387 176.523 -0.136 18261 2357 1 4 . 1 1 26 26 GLY CA C 26 46.911 46.911 45.639 1.272 18261 2358 1 4 . 1 1 26 26 GLY H H 26 8.095 8.095 7.963 0.132 18261 2359 1 4 . 1 1 27 27 LEU N N 27 122.877 122.877 123.322 -0.445 18261 2360 1 4 . 1 1 27 27 LEU HA H 27 3.783 3.783 4.012 -0.229 18261 2361 1 4 . 1 1 27 27 LEU C C 27 178.564 178.564 178.385 0.179 18261 2362 1 4 . 1 1 27 27 LEU CA C 27 57.262 57.262 56.780 0.482 18261 2363 1 4 . 1 1 27 27 LEU CB C 27 42.076 42.076 41.673 0.403 18261 2364 1 4 . 1 1 27 27 LEU H H 27 8.369 8.369 7.982 0.387 18261 2365 1 4 . 1 1 28 28 SER N N 28 109.474 109.474 114.804 -5.330 18261 2366 1 4 . 1 1 28 28 SER HA H 28 4.138 4.138 4.328 -0.190 18261 2367 1 4 . 1 1 28 28 SER C C 28 174.421 174.421 175.021 -0.600 18261 2368 1 4 . 1 1 28 28 SER CA C 28 61.153 61.153 60.480 0.673 18261 2369 1 4 . 1 1 28 28 SER CB C 28 63.320 63.320 62.657 0.662 18261 2370 1 4 . 1 1 28 28 SER H H 28 7.527 7.527 8.358 -0.831 18261 2371 1 4 . 1 1 29 29 SER N N 29 114.550 114.550 115.674 -1.124 18261 2372 1 4 . 1 1 29 29 SER HA H 29 4.734 4.734 4.623 0.111 18261 2373 1 4 . 1 1 29 29 SER C C 29 173.970 173.970 173.476 0.494 18261 2374 1 4 . 1 1 29 29 SER CA C 29 57.927 57.927 58.217 -0.290 18261 2375 1 4 . 1 1 29 29 SER CB C 29 64.500 64.500 64.093 0.407 18261 2376 1 4 . 1 1 29 29 SER H H 29 7.449 7.449 7.662 -0.213 18261 2377 1 4 . 1 1 30 30 MET N N 30 122.420 122.420 122.430 -0.010 18261 2378 1 4 . 1 1 30 30 MET HA H 30 4.952 4.952 4.890 0.062 18261 2379 1 4 . 1 1 30 30 MET C C 30 174.195 174.195 174.208 -0.013 18261 2380 1 4 . 1 1 30 30 MET CA C 30 53.638 53.638 51.485 2.153 18261 2381 1 4 . 1 1 30 30 MET CB C 30 32.305 32.305 31.771 0.534 18261 2382 1 4 . 1 1 30 30 MET H H 30 7.674 7.674 7.744 -0.070 18261 2383 1 4 . 1 1 31 31 PRO HA H 31 4.669 4.669 4.661 0.008 18261 2384 1 4 . 1 1 31 31 PRO CA C 31 62.880 62.880 62.823 0.057 18261 2385 1 4 . 1 1 31 31 PRO CB C 31 32.742 32.742 32.848 -0.106 18261 2386 1 4 . 1 1 32 32 GLY N N 32 106.222 106.222 107.229 -1.007 18261 2387 1 4 . 1 1 32 32 GLY C C 32 172.454 172.454 173.470 -1.016 18261 2388 1 4 . 1 1 32 32 GLY CA C 32 45.608 45.608 44.780 0.828 18261 2389 1 4 . 1 1 32 32 GLY H H 32 8.415 8.415 8.682 -0.267 18261 2390 1 4 . 1 1 33 33 PHE N N 33 116.404 116.404 117.612 -1.208 18261 2391 1 4 . 1 1 33 33 PHE HA H 33 5.167 5.167 4.866 0.301 18261 2392 1 4 . 1 1 33 33 PHE C C 33 176.387 176.387 174.630 1.757 18261 2393 1 4 . 1 1 33 33 PHE CA C 33 56.750 56.750 57.285 -0.535 18261 2394 1 4 . 1 1 33 33 PHE CB C 33 42.080 42.080 42.187 -0.106 18261 2395 1 4 . 1 1 33 33 PHE H H 33 7.871 7.871 7.496 0.375 18261 2396 1 4 . 1 1 34 34 THR N N 34 113.684 113.684 112.735 0.949 18261 2397 1 4 . 1 1 34 34 THR HA H 34 4.545 4.545 4.642 -0.097 18261 2398 1 4 . 1 1 34 34 THR C C 34 175.066 175.066 174.528 0.538 18261 2399 1 4 . 1 1 34 34 THR CA C 34 60.339 60.339 59.684 0.655 18261 2400 1 4 . 1 1 34 34 THR CB C 34 70.381 70.381 70.744 -0.363 18261 2401 1 4 . 1 1 34 34 THR H H 34 8.899 8.899 8.113 0.786 18261 2402 1 4 . 1 1 35 35 ALA N N 35 122.927 122.927 124.983 -2.056 18261 2403 1 4 . 1 1 35 35 ALA HA H 35 4.092 4.092 4.127 -0.035 18261 2404 1 4 . 1 1 35 35 ALA C C 35 180.755 180.755 179.635 1.120 18261 2405 1 4 . 1 1 35 35 ALA CA C 35 55.827 55.827 55.565 0.262 18261 2406 1 4 . 1 1 35 35 ALA CB C 35 18.098 18.098 18.633 -0.535 18261 2407 1 4 . 1 1 35 35 ALA H H 35 8.864 8.864 8.717 0.147 18261 2408 1 4 . 1 1 36 36 SER N N 36 112.708 112.708 113.346 -0.638 18261 2409 1 4 . 1 1 36 36 SER HA H 36 4.276 4.276 4.260 0.016 18261 2410 1 4 . 1 1 36 36 SER C C 36 177.033 177.033 176.482 0.551 18261 2411 1 4 . 1 1 36 36 SER CA C 36 61.403 61.403 61.339 0.064 18261 2412 1 4 . 1 1 36 36 SER CB C 36 62.371 62.371 62.518 -0.147 18261 2413 1 4 . 1 1 36 36 SER H H 36 8.389 8.389 8.363 0.026 18261 2414 1 4 . 1 1 37 37 GLN N N 37 121.595 121.595 120.395 1.200 18261 2415 1 4 . 1 1 37 37 GLN HA H 37 4.272 4.272 4.193 0.079 18261 2416 1 4 . 1 1 37 37 GLN C C 37 179.149 179.149 178.748 0.401 18261 2417 1 4 . 1 1 37 37 GLN CA C 37 58.638 58.638 58.950 -0.312 18261 2418 1 4 . 1 1 37 37 GLN CB C 37 29.123 29.123 28.456 0.667 18261 2419 1 4 . 1 1 37 37 GLN H H 37 7.621 7.621 8.580 -0.959 18261 2420 1 4 . 1 1 38 38 LEU N N 38 119.852 119.852 120.506 -0.654 18261 2421 1 4 . 1 1 38 38 LEU HA H 38 3.838 3.838 3.844 -0.006 18261 2422 1 4 . 1 1 38 38 LEU C C 38 179.675 179.675 178.775 0.900 18261 2423 1 4 . 1 1 38 38 LEU CA C 38 57.929 57.929 57.734 0.195 18261 2424 1 4 . 1 1 38 38 LEU CB C 38 40.918 40.918 41.587 -0.669 18261 2425 1 4 . 1 1 38 38 LEU H H 38 8.341 8.341 8.608 -0.267 18261 2426 1 4 . 1 1 39 39 ASP N N 39 122.065 122.065 120.131 1.934 18261 2427 1 4 . 1 1 39 39 ASP HA H 39 4.439 4.439 4.264 0.175 18261 2428 1 4 . 1 1 39 39 ASP C C 39 179.224 179.224 178.181 1.043 18261 2429 1 4 . 1 1 39 39 ASP CA C 39 57.710 57.710 58.041 -0.331 18261 2430 1 4 . 1 1 39 39 ASP CB C 39 40.245 40.245 40.819 -0.574 18261 2431 1 4 . 1 1 39 39 ASP H H 39 7.955 7.955 8.318 -0.363 18261 2432 1 4 . 1 1 40 40 ASP N N 40 121.957 121.957 119.681 2.276 18261 2433 1 4 . 1 1 40 40 ASP HA H 40 4.483 4.483 4.360 0.123 18261 2434 1 4 . 1 1 40 40 ASP C C 40 179.600 179.600 178.502 1.098 18261 2435 1 4 . 1 1 40 40 ASP CA C 40 57.745 57.745 57.767 -0.022 18261 2436 1 4 . 1 1 40 40 ASP CB C 40 40.190 40.190 40.940 -0.750 18261 2437 1 4 . 1 1 40 40 ASP H H 40 8.022 8.022 8.467 -0.445 18261 2438 1 4 . 1 1 41 41 MET N N 41 121.160 121.160 119.467 1.693 18261 2439 1 4 . 1 1 41 41 MET HA H 41 4.204 4.204 4.177 0.027 18261 2440 1 4 . 1 1 41 41 MET C C 41 177.693 177.693 178.164 -0.471 18261 2441 1 4 . 1 1 41 41 MET CA C 41 57.634 57.634 58.736 -1.102 18261 2442 1 4 . 1 1 41 41 MET CB C 41 31.422 31.422 32.794 -1.372 18261 2443 1 4 . 1 1 41 41 MET H H 41 8.668 8.668 7.749 0.919 18261 2444 1 4 . 1 1 42 42 SER N N 42 116.421 116.421 115.763 0.658 18261 2445 1 4 . 1 1 42 42 SER HA H 42 4.304 4.304 4.213 0.091 18261 2446 1 4 . 1 1 42 42 SER C C 42 177.483 177.483 176.988 0.495 18261 2447 1 4 . 1 1 42 42 SER CA C 42 62.075 62.075 62.191 -0.116 18261 2448 1 4 . 1 1 42 42 SER CB C 42 62.765 62.765 62.951 -0.186 18261 2449 1 4 . 1 1 42 42 SER H H 42 8.375 8.375 8.316 0.059 18261 2450 1 4 . 1 1 43 43 THR N N 43 118.797 118.797 118.868 -0.071 18261 2451 1 4 . 1 1 43 43 THR HA H 43 4.042 4.042 4.065 -0.023 18261 2452 1 4 . 1 1 43 43 THR C C 43 177.258 177.258 177.001 0.257 18261 2453 1 4 . 1 1 43 43 THR CA C 43 66.584 66.584 66.696 -0.112 18261 2454 1 4 . 1 1 43 43 THR CB C 43 68.490 68.490 68.772 -0.282 18261 2455 1 4 . 1 1 43 43 THR H H 43 7.928 7.928 7.862 0.066 18261 2456 1 4 . 1 1 44 44 ILE N N 44 122.960 122.960 122.133 0.827 18261 2457 1 4 . 1 1 44 44 ILE HA H 44 3.930 3.930 3.926 0.004 18261 2458 1 4 . 1 1 44 44 ILE C C 44 178.564 178.564 178.042 0.522 18261 2459 1 4 . 1 1 44 44 ILE CA C 44 64.483 64.483 62.214 2.269 18261 2460 1 4 . 1 1 44 44 ILE CB C 44 38.015 38.015 36.349 1.666 18261 2461 1 4 . 1 1 44 44 ILE H H 44 7.863 7.863 8.018 -0.155 18261 2462 1 4 . 1 1 45 45 ALA N N 45 124.792 124.792 122.845 1.947 18261 2463 1 4 . 1 1 45 45 ALA HA H 45 4.122 4.122 4.083 0.039 18261 2464 1 4 . 1 1 45 45 ALA C C 45 179.404 179.404 179.833 -0.429 18261 2465 1 4 . 1 1 45 45 ALA CA C 45 56.009 56.009 55.252 0.757 18261 2466 1 4 . 1 1 45 45 ALA CB C 45 18.908 18.908 18.526 0.382 18261 2467 1 4 . 1 1 45 45 ALA H H 45 8.853 8.853 8.541 0.312 18261 2468 1 4 . 1 1 46 46 GLN N N 46 116.307 116.307 117.849 -1.542 18261 2469 1 4 . 1 1 46 46 GLN HA H 46 4.068 4.068 4.100 -0.032 18261 2470 1 4 . 1 1 46 46 GLN C C 46 179.014 179.014 178.678 0.336 18261 2471 1 4 . 1 1 46 46 GLN CA C 46 58.903 58.903 57.854 1.049 18261 2472 1 4 . 1 1 46 46 GLN CB C 46 28.250 28.250 27.802 0.448 18261 2473 1 4 . 1 1 46 46 GLN H H 46 8.238 8.238 8.248 -0.010 18261 2474 1 4 . 1 1 47 47 SER N N 47 115.959 115.959 116.924 -0.965 18261 2475 1 4 . 1 1 47 47 SER HA H 47 4.261 4.261 4.233 0.028 18261 2476 1 4 . 1 1 47 47 SER C C 47 177.483 177.483 176.682 0.801 18261 2477 1 4 . 1 1 47 47 SER CA C 47 61.526 61.526 61.787 -0.261 18261 2478 1 4 . 1 1 47 47 SER CB C 47 62.842 62.842 62.659 0.183 18261 2479 1 4 . 1 1 47 47 SER H H 47 8.223 8.223 7.809 0.414 18261 2480 1 4 . 1 1 48 48 MET N N 48 121.963 121.963 120.914 1.049 18261 2481 1 4 . 1 1 48 48 MET HA H 48 4.110 4.110 4.070 0.040 18261 2482 1 4 . 1 1 48 48 MET C C 48 177.798 177.798 178.024 -0.226 18261 2483 1 4 . 1 1 48 48 MET CA C 48 57.531 57.531 57.945 -0.414 18261 2484 1 4 . 1 1 48 48 MET CB C 48 31.169 31.169 31.721 -0.552 18261 2485 1 4 . 1 1 48 48 MET H H 48 8.245 8.245 7.814 0.431 18261 2486 1 4 . 1 1 49 49 VAL N N 49 119.045 119.045 119.917 -0.872 18261 2487 1 4 . 1 1 49 49 VAL HA H 49 3.300 3.300 3.554 -0.254 18261 2488 1 4 . 1 1 49 49 VAL C C 49 177.910 177.910 178.437 -0.527 18261 2489 1 4 . 1 1 49 49 VAL CA C 49 67.811 67.811 66.674 1.137 18261 2490 1 4 . 1 1 49 49 VAL CB C 49 31.370 31.370 30.601 0.770 18261 2491 1 4 . 1 1 49 49 VAL H H 49 7.809 7.809 8.051 -0.242 18261 2492 1 4 . 1 1 50 50 GLN N N 50 118.357 118.357 118.301 0.056 18261 2493 1 4 . 1 1 50 50 GLN HA H 50 4.091 4.091 3.915 0.176 18261 2494 1 4 . 1 1 50 50 GLN C C 50 179.449 179.449 178.622 0.827 18261 2495 1 4 . 1 1 50 50 GLN CA C 50 59.056 59.056 58.750 0.306 18261 2496 1 4 . 1 1 50 50 GLN CB C 50 28.020 28.020 27.724 0.296 18261 2497 1 4 . 1 1 50 50 GLN H H 50 8.225 8.225 8.694 -0.469 18261 2498 1 4 . 1 1 51 51 SER N N 51 117.253 117.253 115.676 1.577 18261 2499 1 4 . 1 1 51 51 SER HA H 51 4.235 4.235 4.169 0.066 18261 2500 1 4 . 1 1 51 51 SER C C 51 176.374 176.374 176.695 -0.321 18261 2501 1 4 . 1 1 51 51 SER CA C 51 62.752 62.752 61.780 0.972 18261 2502 1 4 . 1 1 51 51 SER CB C 51 62.963 62.963 62.721 0.242 18261 2503 1 4 . 1 1 51 51 SER H H 51 8.328 8.328 7.675 0.653 18261 2504 1 4 . 1 1 52 52 ILE N N 52 123.114 123.114 122.219 0.895 18261 2505 1 4 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.585 0.014 18261 2506 1 4 . 1 1 52 52 ILE C C 52 178.684 178.684 177.693 0.991 18261 2507 1 4 . 1 1 52 52 ILE CA C 52 64.736 64.736 65.271 -0.535 18261 2508 1 4 . 1 1 52 52 ILE CB C 52 37.838 37.838 37.552 0.286 18261 2509 1 4 . 1 1 52 52 ILE H H 52 8.147 8.147 7.840 0.307 18261 2510 1 4 . 1 1 53 53 GLN N N 53 120.011 120.011 119.069 0.942 18261 2511 1 4 . 1 1 53 53 GLN HA H 53 3.946 3.946 4.020 -0.074 18261 2512 1 4 . 1 1 53 53 GLN C C 53 179.014 179.014 177.904 1.110 18261 2513 1 4 . 1 1 53 53 GLN CA C 53 59.501 59.501 58.617 0.884 18261 2514 1 4 . 1 1 53 53 GLN CB C 53 27.901 27.901 28.069 -0.168 18261 2515 1 4 . 1 1 53 53 GLN H H 53 8.583 8.583 8.701 -0.118 18261 2516 1 4 . 1 1 54 54 SER N N 54 115.479 115.479 114.662 0.817 18261 2517 1 4 . 1 1 54 54 SER HA H 54 4.302 4.302 4.373 -0.071 18261 2518 1 4 . 1 1 54 54 SER C C 54 176.822 176.822 176.270 0.552 18261 2519 1 4 . 1 1 54 54 SER CA C 54 61.492 61.492 61.503 -0.011 18261 2520 1 4 . 1 1 54 54 SER CB C 54 62.880 62.880 63.587 -0.707 18261 2521 1 4 . 1 1 54 54 SER H H 54 8.271 8.271 7.569 0.702 18261 2522 1 4 . 1 1 55 55 LEU N N 55 121.519 121.519 122.229 -0.710 18261 2523 1 4 . 1 1 55 55 LEU HA H 55 4.068 4.068 3.968 0.100 18261 2524 1 4 . 1 1 55 55 LEU C C 55 179.434 179.434 178.531 0.903 18261 2525 1 4 . 1 1 55 55 LEU CA C 55 57.793 57.793 58.267 -0.474 18261 2526 1 4 . 1 1 55 55 LEU CB C 55 42.245 42.245 41.574 0.671 18261 2527 1 4 . 1 1 55 55 LEU H H 55 7.974 7.974 8.510 -0.536 18261 2528 1 4 . 1 1 56 56 ALA N N 56 121.040 121.040 118.571 2.469 18261 2529 1 4 . 1 1 56 56 ALA HA H 56 4.228 4.228 4.270 -0.042 18261 2530 1 4 . 1 1 56 56 ALA C C 56 180.530 180.530 177.919 2.611 18261 2531 1 4 . 1 1 56 56 ALA CA C 56 54.331 54.331 53.644 0.687 18261 2532 1 4 . 1 1 56 56 ALA CB C 56 18.075 18.075 18.714 -0.639 18261 2533 1 4 . 1 1 56 56 ALA H H 56 8.032 8.032 8.087 -0.055 18261 2534 1 4 . 1 1 57 57 ALA N N 57 121.325 121.325 120.142 1.183 18261 2535 1 4 . 1 1 57 57 ALA HA H 57 4.219 4.219 4.365 -0.146 18261 2536 1 4 . 1 1 57 57 ALA C C 57 179.344 179.344 179.065 0.279 18261 2537 1 4 . 1 1 57 57 ALA CA C 57 54.446 54.446 53.581 0.865 18261 2538 1 4 . 1 1 57 57 ALA CB C 57 18.470 18.470 19.640 -1.170 18261 2539 1 4 . 1 1 57 57 ALA H H 57 8.030 8.030 7.638 0.392 18261 2540 1 4 . 1 1 58 58 GLN N N 58 114.257 114.257 117.350 -3.093 18261 2541 1 4 . 1 1 58 58 GLN HA H 58 4.356 4.356 4.359 -0.003 18261 2542 1 4 . 1 1 58 58 GLN C C 58 176.612 176.612 176.459 0.153 18261 2543 1 4 . 1 1 58 58 GLN CA C 58 55.957 55.957 55.574 0.383 18261 2544 1 4 . 1 1 58 58 GLN CB C 58 29.767 29.767 29.308 0.459 18261 2545 1 4 . 1 1 58 58 GLN H H 58 7.751 7.751 8.607 -0.856 18261 2546 1 4 . 1 1 59 59 GLY N N 59 108.304 108.304 108.496 -0.192 18261 2547 1 4 . 1 1 59 59 GLY C C 59 174.856 174.856 174.473 0.383 18261 2548 1 4 . 1 1 59 59 GLY CA C 59 46.197 46.197 45.504 0.693 18261 2549 1 4 . 1 1 59 59 GLY H H 59 7.910 7.910 7.950 -0.040 18261 2550 1 4 . 1 1 60 60 ARG N N 60 118.258 118.258 117.715 0.543 18261 2551 1 4 . 1 1 60 60 ARG HA H 60 4.553 4.553 4.573 -0.020 18261 2552 1 4 . 1 1 60 60 ARG C C 60 175.847 175.847 176.624 -0.777 18261 2553 1 4 . 1 1 60 60 ARG CA C 60 55.658 55.658 54.870 0.788 18261 2554 1 4 . 1 1 60 60 ARG CB C 60 31.714 31.714 30.933 0.780 18261 2555 1 4 . 1 1 60 60 ARG H H 60 8.108 8.108 8.207 -0.099 18261 2556 1 4 . 1 1 61 61 THR N N 61 115.924 115.924 115.508 0.416 18261 2557 1 4 . 1 1 61 61 THR HA H 61 4.785 4.785 4.319 0.466 18261 2558 1 4 . 1 1 61 61 THR C C 61 173.654 173.654 174.631 -0.977 18261 2559 1 4 . 1 1 61 61 THR CA C 61 63.140 63.140 61.823 1.317 18261 2560 1 4 . 1 1 61 61 THR CB C 61 68.602 68.602 67.734 0.868 18261 2561 1 4 . 1 1 61 61 THR H H 61 7.970 7.970 8.073 -0.103 18261 2562 1 4 . 1 1 62 62 SER N N 62 119.666 119.666 119.860 -0.194 18261 2563 1 4 . 1 1 62 62 SER HA H 62 4.902 4.902 4.718 0.184 18261 2564 1 4 . 1 1 62 62 SER C C 62 173.207 173.207 175.076 -1.869 18261 2565 1 4 . 1 1 62 62 SER CA C 62 56.193 56.193 56.597 -0.404 18261 2566 1 4 . 1 1 62 62 SER CB C 62 63.781 63.781 63.506 0.275 18261 2567 1 4 . 1 1 62 62 SER H H 62 7.788 7.788 8.186 -0.398 18261 2568 1 4 . 1 1 63 63 PRO HA H 63 4.313 4.313 4.264 0.049 18261 2569 1 4 . 1 1 63 63 PRO CA C 63 65.746 65.746 65.299 0.447 18261 2570 1 4 . 1 1 63 63 PRO CB C 63 32.147 32.147 31.825 0.322 18261 2571 1 4 . 1 1 64 64 ASN HA H 64 4.550 4.550 4.513 0.037 18261 2572 1 4 . 1 1 64 64 ASN CA C 64 56.202 56.202 56.087 0.115 18261 2573 1 4 . 1 1 64 64 ASN CB C 64 38.000 38.000 37.455 0.545 18261 2574 1 4 . 1 1 65 65 LYS N N 65 120.530 120.530 121.057 -0.527 18261 2575 1 4 . 1 1 65 65 LYS HA H 65 4.197 4.197 4.114 0.083 18261 2576 1 4 . 1 1 65 65 LYS C C 65 178.999 178.999 178.774 0.225 18261 2577 1 4 . 1 1 65 65 LYS CA C 65 58.250 58.250 59.186 -0.936 18261 2578 1 4 . 1 1 65 65 LYS CB C 65 32.498 32.498 32.400 0.098 18261 2579 1 4 . 1 1 65 65 LYS H H 65 7.770 7.770 7.838 -0.068 18261 2580 1 4 . 1 1 66 66 LEU N N 66 118.804 118.804 120.400 -1.596 18261 2581 1 4 . 1 1 66 66 LEU HA H 66 4.070 4.070 4.049 0.021 18261 2582 1 4 . 1 1 66 66 LEU C C 66 178.928 178.928 179.439 -0.511 18261 2583 1 4 . 1 1 66 66 LEU CA C 66 57.928 57.928 58.381 -0.453 18261 2584 1 4 . 1 1 66 66 LEU CB C 66 41.329 41.329 41.471 -0.142 18261 2585 1 4 . 1 1 66 66 LEU H H 66 7.932 7.932 7.802 0.130 18261 2586 1 4 . 1 1 67 67 GLN N N 67 119.307 119.307 118.578 0.729 18261 2587 1 4 . 1 1 67 67 GLN HA H 67 4.224 4.224 4.078 0.146 18261 2588 1 4 . 1 1 67 67 GLN C C 67 178.789 178.789 178.166 0.623 18261 2589 1 4 . 1 1 67 67 GLN CA C 67 58.862 58.862 58.967 -0.105 18261 2590 1 4 . 1 1 67 67 GLN CB C 67 28.052 28.052 28.759 -0.707 18261 2591 1 4 . 1 1 67 67 GLN H H 67 8.160 8.160 8.450 -0.290 18261 2592 1 4 . 1 1 68 68 ALA N N 68 122.124 122.124 121.783 0.341 18261 2593 1 4 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.174 0.016 18261 2594 1 4 . 1 1 68 68 ALA C C 68 180.320 180.320 179.745 0.575 18261 2595 1 4 . 1 1 68 68 ALA CA C 68 55.282 55.282 54.727 0.555 18261 2596 1 4 . 1 1 68 68 ALA CB C 68 18.251 18.251 18.395 -0.144 18261 2597 1 4 . 1 1 68 68 ALA H H 68 7.844 7.844 7.511 0.333 18261 2598 1 4 . 1 1 69 69 LEU N N 69 119.481 119.481 118.504 0.977 18261 2599 1 4 . 1 1 69 69 LEU HA H 69 3.912 3.912 3.821 0.091 18261 2600 1 4 . 1 1 69 69 LEU C C 69 178.864 178.864 178.799 0.065 18261 2601 1 4 . 1 1 69 69 LEU CA C 69 57.904 57.904 57.731 0.173 18261 2602 1 4 . 1 1 69 69 LEU CB C 69 41.052 41.052 41.206 -0.155 18261 2603 1 4 . 1 1 69 69 LEU H H 69 7.819 7.819 8.546 -0.727 18261 2604 1 4 . 1 1 70 70 ASN N N 70 119.633 119.633 117.740 1.893 18261 2605 1 4 . 1 1 70 70 ASN HA H 70 4.553 4.553 4.719 -0.166 18261 2606 1 4 . 1 1 70 70 ASN C C 70 177.483 177.483 177.608 -0.125 18261 2607 1 4 . 1 1 70 70 ASN CA C 70 57.125 57.125 56.807 0.318 18261 2608 1 4 . 1 1 70 70 ASN CB C 70 38.392 38.392 38.503 -0.111 18261 2609 1 4 . 1 1 70 70 ASN H H 70 8.265 8.265 7.804 0.461 18261 2610 1 4 . 1 1 71 71 MET N N 71 118.024 118.024 118.382 -0.358 18261 2611 1 4 . 1 1 71 71 MET HA H 71 4.201 4.201 4.274 -0.073 18261 2612 1 4 . 1 1 71 71 MET C C 71 178.279 178.279 178.825 -0.546 18261 2613 1 4 . 1 1 71 71 MET CA C 71 59.445 59.445 59.306 0.140 18261 2614 1 4 . 1 1 71 71 MET CB C 71 32.313 32.313 32.703 -0.390 18261 2615 1 4 . 1 1 71 71 MET H H 71 8.098 8.098 7.631 0.467 18261 2616 1 4 . 1 1 72 72 ARG N N 72 121.985 121.985 119.729 2.256 18261 2617 1 4 . 1 1 72 72 ARG HA H 72 3.981 3.981 4.119 -0.138 18261 2618 1 4 . 1 1 72 72 ARG C C 72 179.059 179.059 179.154 -0.095 18261 2619 1 4 . 1 1 72 72 ARG CA C 72 59.058 59.058 59.231 -0.173 18261 2620 1 4 . 1 1 72 72 ARG CB C 72 30.120 30.120 30.058 0.062 18261 2621 1 4 . 1 1 72 72 ARG H H 72 8.292 8.292 7.976 0.316 18261 2622 1 4 . 1 1 73 73 PHE N N 73 122.085 122.085 122.024 0.061 18261 2623 1 4 . 1 1 73 73 PHE HA H 73 4.529 4.529 4.229 0.300 18261 2624 1 4 . 1 1 73 73 PHE C C 73 177.258 177.258 176.981 0.277 18261 2625 1 4 . 1 1 73 73 PHE CA C 73 59.248 59.248 60.689 -1.441 18261 2626 1 4 . 1 1 73 73 PHE CB C 73 39.527 39.527 38.843 0.684 18261 2627 1 4 . 1 1 73 73 PHE H H 73 8.703 8.703 8.826 -0.123 18261 2628 1 4 . 1 1 74 74 ALA N N 74 119.273 119.273 120.693 -1.420 18261 2629 1 4 . 1 1 74 74 ALA HA H 74 3.764 3.764 3.772 -0.008 18261 2630 1 4 . 1 1 74 74 ALA C C 74 179.374 179.374 179.409 -0.035 18261 2631 1 4 . 1 1 74 74 ALA CA C 74 55.324 55.324 55.072 0.252 18261 2632 1 4 . 1 1 74 74 ALA CB C 74 20.509 20.509 18.572 1.937 18261 2633 1 4 . 1 1 74 74 ALA H H 74 8.598 8.598 7.758 0.840 18261 2634 1 4 . 1 1 75 75 SER N N 75 113.611 113.611 113.748 -0.137 18261 2635 1 4 . 1 1 75 75 SER HA H 75 3.636 3.636 4.174 -0.538 18261 2636 1 4 . 1 1 75 75 SER CA C 75 61.936 61.936 61.264 0.672 18261 2637 1 4 . 1 1 75 75 SER CB C 75 61.869 61.869 62.569 -0.700 18261 2638 1 4 . 1 1 75 75 SER H H 75 8.780 8.780 8.074 0.706 18261 2639 1 4 . 1 1 76 76 SER N N 76 119.013 119.013 119.293 -0.280 18261 2640 1 4 . 1 1 76 76 SER HA H 76 4.310 4.310 4.609 -0.299 18261 2641 1 4 . 1 1 76 76 SER CA C 76 62.536 62.536 61.321 1.215 18261 2642 1 4 . 1 1 76 76 SER CB C 76 62.943 62.943 62.980 -0.037 18261 2643 1 4 . 1 1 76 76 SER H H 76 8.210 8.210 8.406 -0.196 18261 2644 1 4 . 1 1 77 77 MET N N 77 120.105 120.105 121.507 -1.402 18261 2645 1 4 . 1 1 77 77 MET HA H 77 4.027 4.027 4.139 -0.112 18261 2646 1 4 . 1 1 77 77 MET C C 77 178.354 178.354 178.099 0.255 18261 2647 1 4 . 1 1 77 77 MET CA C 77 59.954 59.954 58.903 1.051 18261 2648 1 4 . 1 1 77 77 MET CB C 77 34.616 34.616 32.149 2.467 18261 2649 1 4 . 1 1 77 77 MET H H 77 8.005 8.005 7.510 0.495 18261 2650 1 4 . 1 1 78 78 ALA N N 78 121.530 121.530 123.176 -1.646 18261 2651 1 4 . 1 1 78 78 ALA HA H 78 3.933 3.933 4.028 -0.095 18261 2652 1 4 . 1 1 78 78 ALA C C 78 178.354 178.354 179.606 -1.252 18261 2653 1 4 . 1 1 78 78 ALA CA C 78 55.427 55.427 55.500 -0.073 18261 2654 1 4 . 1 1 78 78 ALA CB C 78 20.344 20.344 17.916 2.428 18261 2655 1 4 . 1 1 78 78 ALA H H 78 8.550 8.550 8.151 0.399 18261 2656 1 4 . 1 1 79 79 GLU N N 79 117.137 117.137 118.956 -1.819 18261 2657 1 4 . 1 1 79 79 GLU HA H 79 3.919 3.919 3.981 -0.062 18261 2658 1 4 . 1 1 79 79 GLU C C 79 178.894 178.894 179.301 -0.407 18261 2659 1 4 . 1 1 79 79 GLU CA C 79 59.445 59.445 59.469 -0.024 18261 2660 1 4 . 1 1 79 79 GLU CB C 79 29.895 29.895 29.591 0.304 18261 2661 1 4 . 1 1 79 79 GLU H H 79 7.737 7.737 7.895 -0.158 18261 2662 1 4 . 1 1 80 80 ILE N N 80 118.063 118.063 120.070 -2.007 18261 2663 1 4 . 1 1 80 80 ILE HA H 80 3.932 3.932 3.762 0.170 18261 2664 1 4 . 1 1 80 80 ILE C C 80 179.014 179.014 178.629 0.385 18261 2665 1 4 . 1 1 80 80 ILE CA C 80 63.727 63.727 64.827 -1.100 18261 2666 1 4 . 1 1 80 80 ILE CB C 80 38.208 38.208 37.996 0.212 18261 2667 1 4 . 1 1 80 80 ILE H H 80 7.239 7.239 7.307 -0.068 18261 2668 1 4 . 1 1 81 81 ALA N N 81 121.494 121.494 122.435 -0.941 18261 2669 1 4 . 1 1 81 81 ALA HA H 81 3.961 3.961 4.076 -0.115 18261 2670 1 4 . 1 1 81 81 ALA C C 81 177.258 177.258 178.806 -1.548 18261 2671 1 4 . 1 1 81 81 ALA CA C 81 54.668 54.668 54.768 -0.100 18261 2672 1 4 . 1 1 81 81 ALA CB C 81 17.887 17.887 18.482 -0.595 18261 2673 1 4 . 1 1 81 81 ALA H H 81 8.495 8.495 8.613 -0.118 18261 2674 1 4 . 1 1 82 82 ALA N N 82 116.416 116.416 118.241 -1.825 18261 2675 1 4 . 1 1 82 82 ALA HA H 82 4.316 4.316 4.144 0.172 18261 2676 1 4 . 1 1 82 82 ALA C C 82 177.693 177.693 178.996 -1.303 18261 2677 1 4 . 1 1 82 82 ALA CA C 82 52.630 52.630 53.751 -1.121 18261 2678 1 4 . 1 1 82 82 ALA CB C 82 19.224 19.224 18.793 0.431 18261 2679 1 4 . 1 1 82 82 ALA H H 82 8.034 8.034 8.144 -0.110 18261 2680 1 4 . 1 1 83 83 SER N N 83 112.672 112.672 114.848 -2.176 18261 2681 1 4 . 1 1 83 83 SER HA H 83 4.299 4.299 4.495 -0.196 18261 2682 1 4 . 1 1 83 83 SER C C 83 174.856 174.856 174.070 0.786 18261 2683 1 4 . 1 1 83 83 SER CA C 83 59.329 59.329 57.299 2.030 18261 2684 1 4 . 1 1 83 83 SER CB C 83 63.943 63.943 61.466 2.477 18261 2685 1 4 . 1 1 83 83 SER H H 83 7.437 7.437 7.703 -0.266 18261 2686 1 4 . 1 1 84 84 GLU N N 84 122.890 122.890 122.370 0.520 18261 2687 1 4 . 1 1 84 84 GLU HA H 84 4.420 4.420 4.386 0.034 18261 2688 1 4 . 1 1 84 84 GLU C C 84 176.597 176.597 176.794 -0.197 18261 2689 1 4 . 1 1 84 84 GLU CA C 84 56.586 56.586 55.963 0.623 18261 2690 1 4 . 1 1 84 84 GLU CB C 84 30.648 30.648 27.843 2.805 18261 2691 1 4 . 1 1 84 84 GLU H H 84 8.245 8.245 8.076 0.169 18261 2692 1 4 . 1 1 85 85 GLU N N 85 122.062 122.062 121.103 0.959 18261 2693 1 4 . 1 1 85 85 GLU HA H 85 4.285 4.285 4.188 0.097 18261 2694 1 4 . 1 1 85 85 GLU C C 85 177.258 177.258 177.573 -0.315 18261 2695 1 4 . 1 1 85 85 GLU CA C 85 57.128 57.128 58.130 -1.002 18261 2696 1 4 . 1 1 85 85 GLU CB C 85 30.121 30.121 28.700 1.421 18261 2697 1 4 . 1 1 85 85 GLU H H 85 8.477 8.477 8.476 0.001 18261 2698 1 4 . 1 1 86 86 GLY N N 86 110.431 110.431 106.068 4.363 18261 2699 1 4 . 1 1 86 86 GLY C C 86 174.856 174.856 174.363 0.493 18261 2700 1 4 . 1 1 86 86 GLY CA C 86 45.654 45.654 44.815 0.839 18261 2701 1 4 . 1 1 86 86 GLY H H 86 8.563 8.563 8.313 0.250 18261 2702 1 4 . 1 1 87 87 GLY N N 87 108.508 108.508 108.364 0.144 18261 2703 1 4 . 1 1 87 87 GLY C C 87 174.436 174.436 173.131 1.305 18261 2704 1 4 . 1 1 87 87 GLY CA C 87 45.396 45.396 44.091 1.305 18261 2705 1 4 . 1 1 87 87 GLY H H 87 8.274 8.274 7.352 0.922 18261 2706 1 4 . 1 1 88 88 GLY N N 88 107.821 107.821 105.730 2.091 18261 2707 1 4 . 1 1 88 88 GLY C C 88 173.325 173.325 174.176 -0.851 18261 2708 1 4 . 1 1 88 88 GLY CA C 88 44.814 44.814 44.803 0.011 18261 2709 1 4 . 1 1 88 88 GLY H H 88 8.105 8.105 8.263 -0.158 18261 2710 1 4 . 1 1 89 89 SER N N 89 115.747 115.747 118.906 -3.159 18261 2711 1 4 . 1 1 89 89 SER HA H 89 4.582 4.582 4.162 0.420 18261 2712 1 4 . 1 1 89 89 SER C C 89 175.066 175.066 175.888 -0.822 18261 2713 1 4 . 1 1 89 89 SER CA C 89 57.256 57.256 58.584 -1.329 18261 2714 1 4 . 1 1 89 89 SER CB C 89 65.130 65.130 63.792 1.338 18261 2715 1 4 . 1 1 89 89 SER H H 89 8.476 8.476 8.239 0.237 18261 2716 1 4 . 1 1 90 90 LEU N N 90 124.735 124.735 124.871 -0.136 18261 2717 1 4 . 1 1 90 90 LEU HA H 90 4.106 4.106 3.928 0.178 18261 2718 1 4 . 1 1 90 90 LEU C C 90 179.434 179.434 178.327 1.107 18261 2719 1 4 . 1 1 90 90 LEU CA C 90 58.434 58.434 57.806 0.628 18261 2720 1 4 . 1 1 90 90 LEU CB C 90 41.377 41.377 42.018 -0.641 18261 2721 1 4 . 1 1 90 90 LEU H H 90 8.860 8.860 8.506 0.354 18261 2722 1 4 . 1 1 91 91 SER N N 91 113.851 113.851 113.300 0.551 18261 2723 1 4 . 1 1 91 91 SER C C 91 177.325 177.325 176.053 1.272 18261 2724 1 4 . 1 1 91 91 SER CA C 91 61.261 61.261 61.743 -0.482 18261 2725 1 4 . 1 1 91 91 SER CB C 91 62.010 62.010 62.689 -0.679 18261 2726 1 4 . 1 1 91 91 SER H H 91 8.537 8.537 8.318 0.219 18261 2727 1 4 . 1 1 92 92 THR N N 92 120.889 120.889 118.047 2.842 18261 2728 1 4 . 1 1 92 92 THR HA H 92 3.993 3.993 4.088 -0.096 18261 2729 1 4 . 1 1 92 92 THR C C 92 176.162 176.162 176.317 -0.155 18261 2730 1 4 . 1 1 92 92 THR CA C 92 66.467 66.467 66.217 0.250 18261 2731 1 4 . 1 1 92 92 THR CB C 92 68.285 68.285 68.663 -0.378 18261 2732 1 4 . 1 1 92 92 THR H H 92 7.795 7.795 7.819 -0.024 18261 2733 1 4 . 1 1 93 93 LYS N N 93 120.210 120.210 122.051 -1.841 18261 2734 1 4 . 1 1 93 93 LYS HA H 93 3.798 3.798 3.894 -0.096 18261 2735 1 4 . 1 1 93 93 LYS CA C 93 61.044 61.044 60.069 0.975 18261 2736 1 4 . 1 1 93 93 LYS CB C 93 33.470 33.470 32.191 1.279 18261 2737 1 4 . 1 1 93 93 LYS H H 93 8.098 8.098 7.382 0.716 18261 2738 1 4 . 1 1 94 94 THR N N 94 111.485 111.485 112.436 -0.951 18261 2739 1 4 . 1 1 94 94 THR HA H 94 3.936 3.936 4.088 -0.152 18261 2740 1 4 . 1 1 94 94 THR C C 94 177.033 177.033 176.601 0.432 18261 2741 1 4 . 1 1 94 94 THR CA C 94 66.974 66.974 66.159 0.815 18261 2742 1 4 . 1 1 94 94 THR CB C 94 68.013 68.013 68.050 -0.037 18261 2743 1 4 . 1 1 94 94 THR H H 94 8.891 8.891 8.227 0.664 18261 2744 1 4 . 1 1 95 95 SER N N 95 118.938 118.938 118.712 0.226 18261 2745 1 4 . 1 1 95 95 SER HA H 95 4.394 4.394 4.256 0.138 18261 2746 1 4 . 1 1 95 95 SER C C 95 177.828 177.828 176.611 1.217 18261 2747 1 4 . 1 1 95 95 SER CA C 95 61.990 61.990 61.569 0.421 18261 2748 1 4 . 1 1 95 95 SER CB C 95 62.580 62.580 62.985 -0.405 18261 2749 1 4 . 1 1 95 95 SER H H 95 8.118 8.118 7.655 0.463 18261 2750 1 4 . 1 1 96 96 SER N N 96 121.520 121.520 119.632 1.888 18261 2751 1 4 . 1 1 96 96 SER HA H 96 4.457 4.457 4.190 0.267 18261 2752 1 4 . 1 1 96 96 SER CA C 96 62.695 62.695 62.062 0.633 18261 2753 1 4 . 1 1 96 96 SER CB C 96 62.796 62.796 63.371 -0.575 18261 2754 1 4 . 1 1 96 96 SER H H 96 8.603 8.603 8.185 0.418 18261 2755 1 4 . 1 1 97 97 ILE N N 97 122.420 122.420 122.072 0.348 18261 2756 1 4 . 1 1 97 97 ILE HA H 97 3.792 3.792 3.813 -0.021 18261 2757 1 4 . 1 1 97 97 ILE C C 97 177.693 177.693 177.856 -0.163 18261 2758 1 4 . 1 1 97 97 ILE CA C 97 66.722 66.722 65.785 0.937 18261 2759 1 4 . 1 1 97 97 ILE CB C 97 38.645 38.645 37.907 0.738 18261 2760 1 4 . 1 1 97 97 ILE H H 97 8.516 8.516 8.616 -0.100 18261 2761 1 4 . 1 1 98 98 ALA N N 98 122.031 122.031 121.530 0.501 18261 2762 1 4 . 1 1 98 98 ALA HA H 98 4.063 4.063 4.174 -0.111 18261 2763 1 4 . 1 1 98 98 ALA C C 98 180.740 180.740 179.740 1.000 18261 2764 1 4 . 1 1 98 98 ALA CA C 98 56.158 56.158 54.937 1.221 18261 2765 1 4 . 1 1 98 98 ALA CB C 98 18.347 18.347 18.149 0.198 18261 2766 1 4 . 1 1 98 98 ALA H H 98 8.437 8.437 7.827 0.610 18261 2767 1 4 . 1 1 99 99 SER N N 99 115.676 115.676 115.421 0.255 18261 2768 1 4 . 1 1 99 99 SER HA H 99 4.369 4.369 4.330 0.039 18261 2769 1 4 . 1 1 99 99 SER C C 99 177.168 177.168 176.512 0.656 18261 2770 1 4 . 1 1 99 99 SER CA C 99 61.959 61.959 61.062 0.897 18261 2771 1 4 . 1 1 99 99 SER CB C 99 63.160 63.160 63.089 0.071 18261 2772 1 4 . 1 1 99 99 SER H H 99 8.611 8.611 7.903 0.708 18261 2773 1 4 . 1 1 100 100 ALA N N 100 124.275 124.275 124.542 -0.267 18261 2774 1 4 . 1 1 100 100 ALA HA H 100 4.243 4.243 4.051 0.192 18261 2775 1 4 . 1 1 100 100 ALA C C 100 181.851 181.851 179.634 2.217 18261 2776 1 4 . 1 1 100 100 ALA CA C 100 55.321 55.321 54.965 0.356 18261 2777 1 4 . 1 1 100 100 ALA CB C 100 18.479 18.479 18.393 0.086 18261 2778 1 4 . 1 1 100 100 ALA H H 100 8.973 8.973 8.245 0.728 18261 2779 1 4 . 1 1 101 101 MET N N 101 118.986 118.986 118.695 0.291 18261 2780 1 4 . 1 1 101 101 MET HA H 101 4.063 4.063 4.068 -0.005 18261 2781 1 4 . 1 1 101 101 MET C C 101 177.483 177.483 178.498 -1.015 18261 2782 1 4 . 1 1 101 101 MET CA C 101 60.999 60.999 59.921 1.078 18261 2783 1 4 . 1 1 101 101 MET CB C 101 34.583 34.583 33.114 1.469 18261 2784 1 4 . 1 1 101 101 MET H H 101 9.072 9.072 8.666 0.406 18261 2785 1 4 . 1 1 102 102 SER N N 102 116.650 116.650 115.133 1.517 18261 2786 1 4 . 1 1 102 102 SER HA H 102 4.370 4.370 4.201 0.169 18261 2787 1 4 . 1 1 102 102 SER C C 102 176.357 176.357 176.803 -0.446 18261 2788 1 4 . 1 1 102 102 SER CA C 102 63.278 63.278 61.694 1.585 18261 2789 1 4 . 1 1 102 102 SER CB C 102 62.523 62.523 62.786 -0.263 18261 2790 1 4 . 1 1 102 102 SER H H 102 8.673 8.673 8.509 0.164 18261 2791 1 4 . 1 1 103 103 ASN N N 103 118.060 118.060 121.286 -3.226 18261 2792 1 4 . 1 1 103 103 ASN HA H 103 4.477 4.477 4.507 -0.030 18261 2793 1 4 . 1 1 103 103 ASN C C 103 176.603 176.603 177.203 -0.600 18261 2794 1 4 . 1 1 103 103 ASN CA C 103 56.564 56.564 55.757 0.807 18261 2795 1 4 . 1 1 103 103 ASN CB C 103 38.362 38.362 38.270 0.092 18261 2796 1 4 . 1 1 103 103 ASN H H 103 8.098 8.098 7.959 0.139 18261 2797 1 4 . 1 1 104 104 ALA N N 104 122.235 122.235 122.120 0.115 18261 2798 1 4 . 1 1 104 104 ALA HA H 104 4.255 4.255 4.082 0.173 18261 2799 1 4 . 1 1 104 104 ALA C C 104 181.701 181.701 179.960 1.741 18261 2800 1 4 . 1 1 104 104 ALA CA C 104 54.815 54.815 54.478 0.336 18261 2801 1 4 . 1 1 104 104 ALA CB C 104 18.177 18.177 17.995 0.182 18261 2802 1 4 . 1 1 104 104 ALA H H 104 7.919 7.919 7.809 0.110 18261 2803 1 4 . 1 1 105 105 PHE N N 105 119.159 119.159 120.409 -1.250 18261 2804 1 4 . 1 1 105 105 PHE HA H 105 4.401 4.401 4.662 -0.261 18261 2805 1 4 . 1 1 105 105 PHE C C 105 179.224 179.224 177.869 1.355 18261 2806 1 4 . 1 1 105 105 PHE CA C 105 63.744 63.744 60.465 3.279 18261 2807 1 4 . 1 1 105 105 PHE CB C 105 39.417 39.417 39.889 -0.472 18261 2808 1 4 . 1 1 105 105 PHE H H 105 8.615 8.615 8.286 0.329 18261 2809 1 4 . 1 1 106 106 LEU N N 106 121.765 121.765 119.720 2.045 18261 2810 1 4 . 1 1 106 106 LEU HA H 106 3.741 3.741 4.207 -0.466 18261 2811 1 4 . 1 1 106 106 LEU C C 106 179.074 179.074 178.199 0.875 18261 2812 1 4 . 1 1 106 106 LEU CA C 106 59.086 59.086 57.610 1.476 18261 2813 1 4 . 1 1 106 106 LEU CB C 106 41.265 41.265 41.721 -0.456 18261 2814 1 4 . 1 1 106 106 LEU H H 106 8.259 8.259 8.239 0.020 18261 2815 1 4 . 1 1 107 107 GLN N N 107 114.755 114.755 116.712 -1.957 18261 2816 1 4 . 1 1 107 107 GLN HA H 107 4.189 4.189 4.242 -0.053 18261 2817 1 4 . 1 1 107 107 GLN C C 107 176.822 176.822 177.759 -0.937 18261 2818 1 4 . 1 1 107 107 GLN CA C 107 57.461 57.461 57.902 -0.441 18261 2819 1 4 . 1 1 107 107 GLN CB C 107 29.393 29.393 28.534 0.859 18261 2820 1 4 . 1 1 107 107 GLN H H 107 8.176 8.176 7.750 0.426 18261 2821 1 4 . 1 1 108 108 THR N N 108 108.074 108.074 111.688 -3.614 18261 2822 1 4 . 1 1 108 108 THR HA H 108 4.517 4.517 4.306 0.211 18261 2823 1 4 . 1 1 108 108 THR C C 108 175.952 175.952 175.804 0.148 18261 2824 1 4 . 1 1 108 108 THR CA C 108 62.526 62.526 64.106 -1.579 18261 2825 1 4 . 1 1 108 108 THR CB C 108 70.320 70.320 69.348 0.972 18261 2826 1 4 . 1 1 108 108 THR H H 108 7.740 7.740 7.670 0.070 18261 2827 1 4 . 1 1 109 109 THR N N 109 113.029 113.029 111.077 1.952 18261 2828 1 4 . 1 1 109 109 THR HA H 109 4.620 4.620 4.383 0.237 18261 2829 1 4 . 1 1 109 109 THR C C 109 176.162 176.162 175.954 0.208 18261 2830 1 4 . 1 1 109 109 THR CA C 109 62.255 62.255 61.703 0.552 18261 2831 1 4 . 1 1 109 109 THR CB C 109 70.768 70.768 70.268 0.500 18261 2832 1 4 . 1 1 109 109 THR H H 109 8.869 8.869 7.919 0.950 18261 2833 1 4 . 1 1 110 110 GLY N N 110 109.433 109.433 109.627 -0.194 18261 2834 1 4 . 1 1 110 110 GLY C C 110 172.889 172.889 173.877 -0.988 18261 2835 1 4 . 1 1 110 110 GLY CA C 110 45.555 45.555 45.234 0.321 18261 2836 1 4 . 1 1 110 110 GLY H H 110 8.298 8.298 7.560 0.738 18261 2837 1 4 . 1 1 111 111 VAL N N 111 119.167 119.167 119.886 -0.719 18261 2838 1 4 . 1 1 111 111 VAL HA H 111 4.266 4.266 4.521 -0.255 18261 2839 1 4 . 1 1 111 111 VAL C C 111 174.421 174.421 175.158 -0.737 18261 2840 1 4 . 1 1 111 111 VAL CA C 111 60.783 60.783 60.343 0.440 18261 2841 1 4 . 1 1 111 111 VAL CB C 111 35.394 35.394 35.507 -0.113 18261 2842 1 4 . 1 1 111 111 VAL H H 111 7.786 7.786 7.718 0.068 18261 2843 1 4 . 1 1 112 112 VAL N N 112 124.920 124.920 121.080 3.840 18261 2844 1 4 . 1 1 112 112 VAL HA H 112 3.251 3.251 4.383 -1.132 18261 2845 1 4 . 1 1 112 112 VAL C C 112 174.646 174.646 175.529 -0.883 18261 2846 1 4 . 1 1 112 112 VAL CA C 112 64.409 64.409 61.186 3.223 18261 2847 1 4 . 1 1 112 112 VAL CB C 112 32.626 32.626 32.831 -0.205 18261 2848 1 4 . 1 1 112 112 VAL H H 112 8.721 8.721 8.357 0.364 18261 2849 1 4 . 1 1 113 113 ASN HA H 113 4.505 4.505 4.616 -0.111 18261 2850 1 4 . 1 1 113 113 ASN CA C 113 50.080 50.080 53.052 -2.972 18261 2851 1 4 . 1 1 113 113 ASN CB C 113 36.910 36.910 39.061 -2.151 18261 2852 1 4 . 1 1 114 114 GLN N N 114 123.939 123.939 127.452 -3.513 18261 2853 1 4 . 1 1 114 114 GLN HA H 114 3.944 3.944 4.530 -0.586 18261 2854 1 4 . 1 1 114 114 GLN C C 114 174.811 174.811 174.993 -0.182 18261 2855 1 4 . 1 1 114 114 GLN CA C 114 59.348 59.348 58.989 0.359 18261 2856 1 4 . 1 1 114 114 GLN CB C 114 26.505 26.505 27.430 -0.925 18261 2857 1 4 . 1 1 114 114 GLN H H 114 8.368 8.368 8.791 -0.423 18261 2858 1 4 . 1 1 115 115 PRO HA H 115 4.243 4.243 4.126 0.117 18261 2859 1 4 . 1 1 115 115 PRO CA C 115 66.602 66.602 65.708 0.894 18261 2860 1 4 . 1 1 115 115 PRO CB C 115 31.215 31.215 31.283 -0.068 18261 2861 1 4 . 1 1 116 116 PHE N N 116 117.612 117.612 115.393 2.219 18261 2862 1 4 . 1 1 116 116 PHE HA H 116 4.209 4.209 4.390 -0.181 18261 2863 1 4 . 1 1 116 116 PHE C C 116 176.597 176.597 178.301 -1.704 18261 2864 1 4 . 1 1 116 116 PHE CA C 116 61.261 61.261 61.094 0.167 18261 2865 1 4 . 1 1 116 116 PHE CB C 116 39.506 39.506 38.376 1.130 18261 2866 1 4 . 1 1 116 116 PHE H H 116 7.249 7.249 8.284 -1.035 18261 2867 1 4 . 1 1 117 117 ILE N N 117 119.233 119.233 120.681 -1.448 18261 2868 1 4 . 1 1 117 117 ILE HA H 117 3.537 3.537 3.770 -0.233 18261 2869 1 4 . 1 1 117 117 ILE C C 117 178.789 178.789 177.797 0.992 18261 2870 1 4 . 1 1 117 117 ILE CA C 117 65.677 65.677 64.895 0.782 18261 2871 1 4 . 1 1 117 117 ILE CB C 117 38.125 38.125 37.494 0.631 18261 2872 1 4 . 1 1 117 117 ILE H H 117 7.652 7.652 7.582 0.070 18261 2873 1 4 . 1 1 118 118 ASN N N 118 119.875 119.875 117.869 2.006 18261 2874 1 4 . 1 1 118 118 ASN HA H 118 4.304 4.304 4.533 -0.229 18261 2875 1 4 . 1 1 118 118 ASN C C 118 177.033 177.033 177.623 -0.590 18261 2876 1 4 . 1 1 118 118 ASN CA C 118 55.716 55.716 56.106 -0.390 18261 2877 1 4 . 1 1 118 118 ASN CB C 118 37.423 37.423 37.946 -0.523 18261 2878 1 4 . 1 1 118 118 ASN H H 118 8.975 8.975 8.102 0.873 18261 2879 1 4 . 1 1 119 119 GLU N N 119 121.029 121.029 120.774 0.255 18261 2880 1 4 . 1 1 119 119 GLU HA H 119 4.026 4.026 4.215 -0.189 18261 2881 1 4 . 1 1 119 119 GLU C C 119 178.564 178.564 178.738 -0.174 18261 2882 1 4 . 1 1 119 119 GLU CA C 119 59.426 59.426 58.809 0.617 18261 2883 1 4 . 1 1 119 119 GLU CB C 119 29.646 29.646 29.949 -0.303 18261 2884 1 4 . 1 1 119 119 GLU H H 119 8.120 8.120 7.372 0.748 18261 2885 1 4 . 1 1 120 120 ILE N N 120 117.654 117.654 120.201 -2.547 18261 2886 1 4 . 1 1 120 120 ILE HA H 120 3.734 3.734 3.872 -0.138 18261 2887 1 4 . 1 1 120 120 ILE C C 120 178.279 178.279 178.108 0.171 18261 2888 1 4 . 1 1 120 120 ILE CA C 120 62.756 62.756 65.564 -2.808 18261 2889 1 4 . 1 1 120 120 ILE CB C 120 35.645 35.645 37.880 -2.235 18261 2890 1 4 . 1 1 120 120 ILE H H 120 8.077 8.077 8.541 -0.464 18261 2891 1 4 . 1 1 121 121 THR N N 121 112.585 112.585 114.106 -1.521 18261 2892 1 4 . 1 1 121 121 THR HA H 121 3.753 3.753 3.967 -0.214 18261 2893 1 4 . 1 1 121 121 THR C C 121 177.258 177.258 176.782 0.476 18261 2894 1 4 . 1 1 121 121 THR CA C 121 67.090 67.090 66.605 0.485 18261 2895 1 4 . 1 1 121 121 THR CB C 121 68.254 68.254 68.115 0.139 18261 2896 1 4 . 1 1 121 121 THR H H 121 8.640 8.640 7.840 0.800 18261 2897 1 4 . 1 1 122 122 GLN N N 122 123.063 123.063 120.602 2.461 18261 2898 1 4 . 1 1 122 122 GLN HA H 122 4.091 4.091 4.114 -0.023 18261 2899 1 4 . 1 1 122 122 GLN C C 122 179.014 179.014 178.620 0.394 18261 2900 1 4 . 1 1 122 122 GLN CA C 122 59.192 59.192 58.319 0.873 18261 2901 1 4 . 1 1 122 122 GLN CB C 122 28.020 28.020 28.154 -0.134 18261 2902 1 4 . 1 1 122 122 GLN H H 122 8.111 8.111 7.704 0.407 18261 2903 1 4 . 1 1 123 123 LEU N N 123 120.494 120.494 121.019 -0.525 18261 2904 1 4 . 1 1 123 123 LEU HA H 123 3.841 3.841 4.011 -0.170 18261 2905 1 4 . 1 1 123 123 LEU C C 123 178.354 178.354 179.238 -0.884 18261 2906 1 4 . 1 1 123 123 LEU CA C 123 58.005 58.005 58.075 -0.070 18261 2907 1 4 . 1 1 123 123 LEU CB C 123 42.580 42.580 41.523 1.057 18261 2908 1 4 . 1 1 123 123 LEU H H 123 8.131 8.131 8.304 -0.173 18261 2909 1 4 . 1 1 124 124 VAL N N 124 118.543 118.543 120.740 -2.197 18261 2910 1 4 . 1 1 124 124 VAL HA H 124 3.560 3.560 3.832 -0.272 18261 2911 1 4 . 1 1 124 124 VAL C C 124 177.453 177.453 178.499 -1.046 18261 2912 1 4 . 1 1 124 124 VAL CA C 124 67.297 67.297 67.111 0.186 18261 2913 1 4 . 1 1 124 124 VAL CB C 124 31.526 31.526 31.345 0.181 18261 2914 1 4 . 1 1 124 124 VAL H H 124 8.732 8.732 8.794 -0.062 18261 2915 1 4 . 1 1 125 125 SER N N 125 112.449 112.449 114.741 -2.292 18261 2916 1 4 . 1 1 125 125 SER HA H 125 4.044 4.044 4.108 -0.064 18261 2917 1 4 . 1 1 125 125 SER C C 125 175.937 175.937 176.780 -0.843 18261 2918 1 4 . 1 1 125 125 SER CA C 125 62.356 62.356 61.753 0.603 18261 2919 1 4 . 1 1 125 125 SER CB C 125 62.890 62.890 62.992 -0.102 18261 2920 1 4 . 1 1 125 125 SER H H 125 7.863 7.863 7.750 0.113 18261 2921 1 4 . 1 1 126 126 MET N N 126 120.797 120.797 122.054 -1.257 18261 2922 1 4 . 1 1 126 126 MET HA H 126 4.051 4.051 4.056 -0.005 18261 2923 1 4 . 1 1 126 126 MET C C 126 179.254 179.254 178.218 1.036 18261 2924 1 4 . 1 1 126 126 MET CA C 126 58.939 58.939 59.272 -0.333 18261 2925 1 4 . 1 1 126 126 MET CB C 126 32.625 32.625 32.520 0.105 18261 2926 1 4 . 1 1 126 126 MET H H 126 8.033 8.033 8.065 -0.032 18261 2927 1 4 . 1 1 127 127 PHE N N 127 118.244 118.244 117.782 0.462 18261 2928 1 4 . 1 1 127 127 PHE HA H 127 4.398 4.398 4.222 0.176 18261 2929 1 4 . 1 1 127 127 PHE C C 127 178.128 178.128 178.033 0.095 18261 2930 1 4 . 1 1 127 127 PHE CA C 127 59.991 59.991 61.177 -1.186 18261 2931 1 4 . 1 1 127 127 PHE CB C 127 38.584 38.584 38.136 0.448 18261 2932 1 4 . 1 1 127 127 PHE H H 127 8.753 8.753 8.442 0.311 18261 2933 1 4 . 1 1 128 128 ALA N N 128 120.518 120.518 122.295 -1.777 18261 2934 1 4 . 1 1 128 128 ALA HA H 128 4.152 4.152 4.167 -0.015 18261 2935 1 4 . 1 1 128 128 ALA C C 128 178.789 178.789 179.690 -0.901 18261 2936 1 4 . 1 1 128 128 ALA CA C 128 54.570 54.570 54.862 -0.292 18261 2937 1 4 . 1 1 128 128 ALA CB C 128 19.373 19.373 18.516 0.857 18261 2938 1 4 . 1 1 128 128 ALA H H 128 8.681 8.681 8.239 0.442 18261 2939 1 4 . 1 1 129 129 GLN N N 129 115.315 115.315 118.448 -3.133 18261 2940 1 4 . 1 1 129 129 GLN HA H 129 4.197 4.197 4.051 0.146 18261 2941 1 4 . 1 1 129 129 GLN C C 129 177.258 177.258 178.309 -1.051 18261 2942 1 4 . 1 1 129 129 GLN CA C 129 57.519 57.519 58.547 -1.028 18261 2943 1 4 . 1 1 129 129 GLN CB C 129 29.271 29.271 28.893 0.378 18261 2944 1 4 . 1 1 129 129 GLN H H 129 7.835 7.835 7.999 -0.164 18261 2945 1 4 . 1 1 130 130 ALA N N 130 121.556 121.556 119.936 1.620 18261 2946 1 4 . 1 1 130 130 ALA HA H 130 4.285 4.285 4.683 -0.398 18261 2947 1 4 . 1 1 130 130 ALA C C 130 178.564 178.564 178.483 0.081 18261 2948 1 4 . 1 1 130 130 ALA CA C 130 53.823 53.823 53.304 0.519 18261 2949 1 4 . 1 1 130 130 ALA CB C 130 19.058 19.058 18.663 0.396 18261 2950 1 4 . 1 1 130 130 ALA H H 130 7.758 7.758 8.139 -0.381 18261 2951 1 4 . 1 1 131 131 GLY N N 131 105.780 105.780 106.169 -0.389 18261 2952 1 4 . 1 1 131 131 GLY C C 131 173.970 173.970 175.342 -1.372 18261 2953 1 4 . 1 1 131 131 GLY CA C 131 45.702 45.702 45.856 -0.154 18261 2954 1 4 . 1 1 131 131 GLY H H 131 8.222 8.222 7.792 0.430 18261 2955 1 4 . 1 1 132 132 MET N N 132 118.358 118.358 119.865 -1.507 18261 2956 1 4 . 1 1 132 132 MET HA H 132 4.540 4.540 4.345 0.195 18261 2957 1 4 . 1 1 132 132 MET C C 132 175.952 175.952 176.831 -0.879 18261 2958 1 4 . 1 1 132 132 MET CA C 132 55.611 55.611 58.211 -2.600 18261 2959 1 4 . 1 1 132 132 MET CB C 132 33.473 33.473 33.796 -0.323 18261 2960 1 4 . 1 1 132 132 MET H H 132 7.763 7.763 7.537 0.226 18261 2961 1 4 . 1 1 133 133 ASN N N 133 119.002 119.002 117.398 1.604 18261 2962 1 4 . 1 1 133 133 ASN HA H 133 4.725 4.725 4.932 -0.207 18261 2963 1 4 . 1 1 133 133 ASN C C 133 174.646 174.646 173.435 1.211 18261 2964 1 4 . 1 1 133 133 ASN CA C 133 53.512 53.512 52.327 1.185 18261 2965 1 4 . 1 1 133 133 ASN CB C 133 39.301 39.301 41.606 -2.305 18261 2966 1 4 . 1 1 133 133 ASN H H 133 8.289 8.289 8.254 0.035 18261 2967 1 4 . 1 1 134 134 ASP N N 134 120.907 120.907 123.471 -2.564 18261 2968 1 4 . 1 1 134 134 ASP HA H 134 4.659 4.659 4.565 0.094 18261 2969 1 4 . 1 1 134 134 ASP C C 134 176.162 176.162 175.697 0.465 18261 2970 1 4 . 1 1 134 134 ASP CA C 134 54.379 54.379 56.004 -1.625 18261 2971 1 4 . 1 1 134 134 ASP CB C 134 41.291 41.291 40.154 1.137 18261 2972 1 4 . 1 1 134 134 ASP H H 134 8.364 8.364 8.704 -0.340 18261 2973 1 4 . 1 1 135 135 VAL N N 135 119.971 119.971 122.131 -2.160 18261 2974 1 4 . 1 1 135 135 VAL HA H 135 4.214 4.214 4.212 0.002 18261 2975 1 4 . 1 1 135 135 VAL C C 135 176.162 176.162 174.919 1.243 18261 2976 1 4 . 1 1 135 135 VAL CA C 135 62.157 62.157 61.741 0.416 18261 2977 1 4 . 1 1 135 135 VAL CB C 135 32.644 32.644 32.820 -0.176 18261 2978 1 4 . 1 1 135 135 VAL H H 135 8.118 8.118 7.731 0.387 18261 2979 1 4 . 1 1 136 136 SER N N 136 119.918 119.918 118.277 1.641 18261 2980 1 4 . 1 1 136 136 SER HA H 136 4.462 4.462 4.634 -0.172 18261 2981 1 4 . 1 1 136 136 SER C C 136 173.325 173.325 173.368 -0.043 18261 2982 1 4 . 1 1 136 136 SER CA C 136 58.342 58.342 58.152 0.190 18261 2983 1 4 . 1 1 136 136 SER CB C 136 64.041 64.041 62.990 1.050 18261 2984 1 4 . 1 1 136 136 SER H H 136 8.410 8.410 8.124 0.286 18261 2985 1 5 . 1 1 3 3 GLY CA C 3 45.200 45.200 44.590 0.610 18261 2986 1 5 . 1 1 4 4 ASN N N 4 124.083 124.083 118.587 5.496 18261 2987 1 5 . 1 1 4 4 ASN HA H 4 4.530 4.530 4.510 0.020 18261 2988 1 5 . 1 1 4 4 ASN C C 4 179.449 179.449 175.732 3.717 18261 2989 1 5 . 1 1 4 4 ASN CA C 4 54.803 54.803 54.233 0.570 18261 2990 1 5 . 1 1 4 4 ASN CB C 4 41.106 41.106 38.831 2.275 18261 2991 1 5 . 1 1 4 4 ASN H H 4 7.981 7.981 8.486 -0.505 18261 2992 1 5 . 1 1 6 6 HIS HA H 6 4.693 4.693 4.448 0.245 18261 2993 1 5 . 1 1 6 6 HIS CA C 6 56.115 56.115 54.932 1.183 18261 2994 1 5 . 1 1 6 6 HIS CB C 6 31.011 31.011 28.645 2.366 18261 2995 1 5 . 1 1 7 7 THR N N 7 115.238 115.238 123.130 -7.892 18261 2996 1 5 . 1 1 7 7 THR HA H 7 4.318 4.318 4.240 0.078 18261 2997 1 5 . 1 1 7 7 THR C C 7 173.970 173.970 173.355 0.615 18261 2998 1 5 . 1 1 7 7 THR CA C 7 62.099 62.099 62.682 -0.583 18261 2999 1 5 . 1 1 7 7 THR CB C 7 69.779 69.779 67.686 2.093 18261 3000 1 5 . 1 1 7 7 THR H H 7 8.120 8.120 8.129 -0.009 18261 3001 1 5 . 1 1 8 8 THR N N 8 115.713 115.713 120.966 -5.253 18261 3002 1 5 . 1 1 8 8 THR HA H 8 4.146 4.146 4.347 -0.201 18261 3003 1 5 . 1 1 8 8 THR C C 8 172.664 172.664 173.521 -0.857 18261 3004 1 5 . 1 1 8 8 THR CA C 8 58.349 58.349 58.905 -0.556 18261 3005 1 5 . 1 1 8 8 THR CB C 8 69.219 69.219 70.791 -1.572 18261 3006 1 5 . 1 1 8 8 THR H H 8 7.977 7.977 7.669 0.308 18261 3007 1 5 . 1 1 9 9 PRO HA H 9 3.939 3.939 4.091 -0.152 18261 3008 1 5 . 1 1 9 9 PRO CA C 9 62.965 62.965 63.586 -0.621 18261 3009 1 5 . 1 1 9 9 PRO CB C 9 30.610 30.610 30.904 -0.294 18261 3010 1 5 . 1 1 10 10 TRP N N 10 111.487 111.487 114.339 -2.852 18261 3011 1 5 . 1 1 10 10 TRP HA H 10 4.899 4.899 4.648 0.251 18261 3012 1 5 . 1 1 10 10 TRP C C 10 175.817 175.817 176.688 -0.871 18261 3013 1 5 . 1 1 10 10 TRP CA C 10 54.292 54.292 55.236 -0.944 18261 3014 1 5 . 1 1 10 10 TRP CB C 10 31.219 31.219 29.523 1.696 18261 3015 1 5 . 1 1 10 10 TRP H H 10 6.681 6.681 7.045 -0.364 18261 3016 1 5 . 1 1 11 11 THR N N 11 106.120 106.120 112.344 -6.224 18261 3017 1 5 . 1 1 11 11 THR HA H 11 3.905 3.905 4.086 -0.181 18261 3018 1 5 . 1 1 11 11 THR C C 11 173.970 173.970 174.594 -0.624 18261 3019 1 5 . 1 1 11 11 THR CA C 11 63.937 63.937 64.418 -0.481 18261 3020 1 5 . 1 1 11 11 THR CB C 11 69.242 69.242 69.495 -0.253 18261 3021 1 5 . 1 1 11 11 THR H H 11 7.189 7.189 7.503 -0.314 18261 3022 1 5 . 1 1 12 12 ASN N N 12 116.403 116.403 117.857 -1.454 18261 3023 1 5 . 1 1 12 12 ASN HA H 12 5.115 5.115 5.138 -0.023 18261 3024 1 5 . 1 1 12 12 ASN C C 12 172.889 172.889 173.725 -0.836 18261 3025 1 5 . 1 1 12 12 ASN CA C 12 51.276 51.276 51.144 0.132 18261 3026 1 5 . 1 1 12 12 ASN CB C 12 40.474 40.474 40.896 -0.422 18261 3027 1 5 . 1 1 12 12 ASN H H 12 7.282 7.282 7.721 -0.439 18261 3028 1 5 . 1 1 13 13 PRO HA H 13 4.210 4.210 4.354 -0.143 18261 3029 1 5 . 1 1 13 13 PRO CA C 13 65.516 65.516 66.047 -0.531 18261 3030 1 5 . 1 1 13 13 PRO CB C 13 32.418 32.418 32.040 0.378 18261 3031 1 5 . 1 1 14 14 GLY N N 14 108.796 108.796 107.301 1.495 18261 3032 1 5 . 1 1 14 14 GLY C C 14 175.952 175.952 176.595 -0.643 18261 3033 1 5 . 1 1 14 14 GLY CA C 14 47.073 47.073 46.570 0.503 18261 3034 1 5 . 1 1 14 14 GLY H H 14 8.363 8.363 8.443 -0.080 18261 3035 1 5 . 1 1 15 15 LEU N N 15 124.473 124.473 123.760 0.713 18261 3036 1 5 . 1 1 15 15 LEU HA H 15 4.335 4.335 4.109 0.226 18261 3037 1 5 . 1 1 15 15 LEU C C 15 178.564 178.564 178.958 -0.394 18261 3038 1 5 . 1 1 15 15 LEU CA C 15 57.402 57.402 57.532 -0.130 18261 3039 1 5 . 1 1 15 15 LEU CB C 15 41.600 41.600 41.228 0.372 18261 3040 1 5 . 1 1 15 15 LEU H H 15 7.890 7.890 7.801 0.089 18261 3041 1 5 . 1 1 16 16 ALA N N 16 121.371 121.371 120.653 0.718 18261 3042 1 5 . 1 1 16 16 ALA HA H 16 4.000 4.000 3.957 0.043 18261 3043 1 5 . 1 1 16 16 ALA C C 16 179.104 179.104 179.643 -0.539 18261 3044 1 5 . 1 1 16 16 ALA CA C 16 56.360 56.360 55.526 0.834 18261 3045 1 5 . 1 1 16 16 ALA CB C 16 19.351 19.351 18.178 1.173 18261 3046 1 5 . 1 1 16 16 ALA H H 16 8.429 8.429 7.835 0.594 18261 3047 1 5 . 1 1 17 17 GLU N N 17 117.199 117.199 119.277 -2.078 18261 3048 1 5 . 1 1 17 17 GLU HA H 17 3.964 3.964 4.028 -0.064 18261 3049 1 5 . 1 1 17 17 GLU C C 17 177.993 177.993 179.125 -1.132 18261 3050 1 5 . 1 1 17 17 GLU CA C 17 59.543 59.543 59.762 -0.219 18261 3051 1 5 . 1 1 17 17 GLU CB C 17 29.932 29.932 29.488 0.444 18261 3052 1 5 . 1 1 17 17 GLU H H 17 8.030 8.030 8.147 -0.117 18261 3053 1 5 . 1 1 18 18 ASN N N 18 118.433 118.433 117.710 0.723 18261 3054 1 5 . 1 1 18 18 ASN HA H 18 4.546 4.546 4.504 0.042 18261 3055 1 5 . 1 1 18 18 ASN C C 18 178.347 178.347 177.888 0.459 18261 3056 1 5 . 1 1 18 18 ASN CA C 18 56.226 56.226 56.284 -0.058 18261 3057 1 5 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.651 -0.527 18261 3058 1 5 . 1 1 18 18 ASN H H 18 8.075 8.075 8.107 -0.032 18261 3059 1 5 . 1 1 19 19 PHE N N 19 122.078 122.078 124.028 -1.950 18261 3060 1 5 . 1 1 19 19 PHE HA H 19 3.881 3.881 4.126 -0.245 18261 3061 1 5 . 1 1 19 19 PHE C C 19 176.837 176.837 177.306 -0.469 18261 3062 1 5 . 1 1 19 19 PHE CA C 19 62.230 62.230 61.966 0.264 18261 3063 1 5 . 1 1 19 19 PHE CB C 19 39.450 39.450 39.167 0.283 18261 3064 1 5 . 1 1 19 19 PHE H H 19 9.623 9.623 8.764 0.859 18261 3065 1 5 . 1 1 20 20 MET N N 20 118.264 118.264 116.993 1.271 18261 3066 1 5 . 1 1 20 20 MET HA H 20 4.424 4.424 4.151 0.273 18261 3067 1 5 . 1 1 20 20 MET C C 20 178.924 178.924 178.883 0.041 18261 3068 1 5 . 1 1 20 20 MET CA C 20 57.480 57.480 57.196 0.284 18261 3069 1 5 . 1 1 20 20 MET CB C 20 31.929 31.929 31.074 0.855 18261 3070 1 5 . 1 1 20 20 MET H H 20 8.865 8.865 8.716 0.149 18261 3071 1 5 . 1 1 21 21 ASN N N 21 118.455 118.455 119.325 -0.870 18261 3072 1 5 . 1 1 21 21 ASN HA H 21 4.542 4.542 4.451 0.091 18261 3073 1 5 . 1 1 21 21 ASN C C 21 178.249 178.249 177.787 0.462 18261 3074 1 5 . 1 1 21 21 ASN CA C 21 56.305 56.305 56.930 -0.625 18261 3075 1 5 . 1 1 21 21 ASN CB C 21 37.916 37.916 38.621 -0.705 18261 3076 1 5 . 1 1 21 21 ASN H H 21 8.453 8.453 8.057 0.396 18261 3077 1 5 . 1 1 22 22 SER N N 22 116.036 116.036 116.300 -0.264 18261 3078 1 5 . 1 1 22 22 SER HA H 22 4.196 4.196 4.180 0.016 18261 3079 1 5 . 1 1 22 22 SER C C 22 178.143 178.143 176.184 1.959 18261 3080 1 5 . 1 1 22 22 SER CA C 22 62.256 62.256 61.748 0.508 18261 3081 1 5 . 1 1 22 22 SER CB C 22 62.870 62.870 62.991 -0.121 18261 3082 1 5 . 1 1 22 22 SER H H 22 7.959 7.959 8.417 -0.458 18261 3083 1 5 . 1 1 23 23 PHE N N 23 124.987 124.987 124.683 0.304 18261 3084 1 5 . 1 1 23 23 PHE HA H 23 4.005 4.005 4.076 -0.071 18261 3085 1 5 . 1 1 23 23 PHE C C 23 175.652 175.652 176.738 -1.086 18261 3086 1 5 . 1 1 23 23 PHE CA C 23 60.525 60.525 61.333 -0.808 18261 3087 1 5 . 1 1 23 23 PHE CB C 23 38.899 38.899 39.192 -0.293 18261 3088 1 5 . 1 1 23 23 PHE H H 23 9.045 9.045 8.365 0.680 18261 3089 1 5 . 1 1 24 24 MET N N 24 117.260 117.260 116.829 0.431 18261 3090 1 5 . 1 1 24 24 MET HA H 24 4.040 4.040 4.080 -0.040 18261 3091 1 5 . 1 1 24 24 MET C C 24 179.797 179.797 178.871 0.926 18261 3092 1 5 . 1 1 24 24 MET CA C 24 56.047 56.047 56.792 -0.745 18261 3093 1 5 . 1 1 24 24 MET CB C 24 30.308 30.308 30.847 -0.539 18261 3094 1 5 . 1 1 24 24 MET H H 24 8.302 8.302 8.193 0.109 18261 3095 1 5 . 1 1 25 25 GLN N N 25 120.167 120.167 118.651 1.516 18261 3096 1 5 . 1 1 25 25 GLN HA H 25 3.985 3.985 4.056 -0.071 18261 3097 1 5 . 1 1 25 25 GLN C C 25 179.870 179.870 178.796 1.074 18261 3098 1 5 . 1 1 25 25 GLN CA C 25 59.136 59.136 59.214 -0.078 18261 3099 1 5 . 1 1 25 25 GLN CB C 25 28.234 28.234 28.241 -0.007 18261 3100 1 5 . 1 1 25 25 GLN H H 25 8.038 8.038 7.989 0.049 18261 3101 1 5 . 1 1 26 26 GLY N N 26 107.636 107.636 106.966 0.670 18261 3102 1 5 . 1 1 26 26 GLY C C 26 176.387 176.387 176.799 -0.412 18261 3103 1 5 . 1 1 26 26 GLY CA C 26 46.911 46.911 45.890 1.021 18261 3104 1 5 . 1 1 26 26 GLY H H 26 8.095 8.095 7.743 0.352 18261 3105 1 5 . 1 1 27 27 LEU N N 27 122.877 122.877 124.175 -1.298 18261 3106 1 5 . 1 1 27 27 LEU HA H 27 3.783 3.783 3.945 -0.162 18261 3107 1 5 . 1 1 27 27 LEU C C 27 178.564 178.564 178.798 -0.234 18261 3108 1 5 . 1 1 27 27 LEU CA C 27 57.262 57.262 57.114 0.149 18261 3109 1 5 . 1 1 27 27 LEU CB C 27 42.076 42.076 40.959 1.117 18261 3110 1 5 . 1 1 27 27 LEU H H 27 8.369 8.369 8.298 0.071 18261 3111 1 5 . 1 1 28 28 SER N N 28 109.474 109.474 113.388 -3.914 18261 3112 1 5 . 1 1 28 28 SER HA H 28 4.138 4.138 4.229 -0.091 18261 3113 1 5 . 1 1 28 28 SER C C 28 174.421 174.421 175.447 -1.026 18261 3114 1 5 . 1 1 28 28 SER CA C 28 61.153 61.153 60.857 0.296 18261 3115 1 5 . 1 1 28 28 SER CB C 28 63.320 63.320 63.052 0.268 18261 3116 1 5 . 1 1 28 28 SER H H 28 7.527 7.527 8.240 -0.713 18261 3117 1 5 . 1 1 29 29 SER N N 29 114.550 114.550 115.491 -0.941 18261 3118 1 5 . 1 1 29 29 SER HA H 29 4.734 4.734 4.575 0.159 18261 3119 1 5 . 1 1 29 29 SER C C 29 173.970 173.970 174.017 -0.047 18261 3120 1 5 . 1 1 29 29 SER CA C 29 57.927 57.927 58.489 -0.562 18261 3121 1 5 . 1 1 29 29 SER CB C 29 64.500 64.500 63.843 0.657 18261 3122 1 5 . 1 1 29 29 SER H H 29 7.449 7.449 7.630 -0.181 18261 3123 1 5 . 1 1 30 30 MET N N 30 122.420 122.420 122.847 -0.427 18261 3124 1 5 . 1 1 30 30 MET HA H 30 4.952 4.952 4.840 0.112 18261 3125 1 5 . 1 1 30 30 MET C C 30 174.195 174.195 174.248 -0.053 18261 3126 1 5 . 1 1 30 30 MET CA C 30 53.638 53.638 51.374 2.264 18261 3127 1 5 . 1 1 30 30 MET CB C 30 32.305 32.305 32.080 0.225 18261 3128 1 5 . 1 1 30 30 MET H H 30 7.674 7.674 7.595 0.079 18261 3129 1 5 . 1 1 31 31 PRO HA H 31 4.669 4.669 4.478 0.191 18261 3130 1 5 . 1 1 31 31 PRO CA C 31 62.880 62.880 63.335 -0.455 18261 3131 1 5 . 1 1 31 31 PRO CB C 31 32.742 32.742 31.426 1.316 18261 3132 1 5 . 1 1 32 32 GLY N N 32 106.222 106.222 110.301 -4.079 18261 3133 1 5 . 1 1 32 32 GLY C C 32 172.454 172.454 173.075 -0.621 18261 3134 1 5 . 1 1 32 32 GLY CA C 32 45.608 45.608 45.306 0.302 18261 3135 1 5 . 1 1 32 32 GLY H H 32 8.415 8.415 8.102 0.313 18261 3136 1 5 . 1 1 33 33 PHE N N 33 116.404 116.404 118.638 -2.234 18261 3137 1 5 . 1 1 33 33 PHE HA H 33 5.167 5.167 4.981 0.186 18261 3138 1 5 . 1 1 33 33 PHE C C 33 176.387 176.387 175.057 1.330 18261 3139 1 5 . 1 1 33 33 PHE CA C 33 56.750 56.750 57.688 -0.938 18261 3140 1 5 . 1 1 33 33 PHE CB C 33 42.080 42.080 41.653 0.427 18261 3141 1 5 . 1 1 33 33 PHE H H 33 7.871 7.871 7.412 0.459 18261 3142 1 5 . 1 1 34 34 THR N N 34 113.684 113.684 112.153 1.531 18261 3143 1 5 . 1 1 34 34 THR HA H 34 4.545 4.545 4.625 -0.080 18261 3144 1 5 . 1 1 34 34 THR C C 34 175.066 175.066 174.615 0.451 18261 3145 1 5 . 1 1 34 34 THR CA C 34 60.339 60.339 59.908 0.431 18261 3146 1 5 . 1 1 34 34 THR CB C 34 70.381 70.381 70.871 -0.490 18261 3147 1 5 . 1 1 34 34 THR H H 34 8.899 8.899 8.125 0.774 18261 3148 1 5 . 1 1 35 35 ALA N N 35 122.927 122.927 123.941 -1.014 18261 3149 1 5 . 1 1 35 35 ALA HA H 35 4.092 4.092 4.180 -0.088 18261 3150 1 5 . 1 1 35 35 ALA C C 35 180.755 180.755 179.679 1.076 18261 3151 1 5 . 1 1 35 35 ALA CA C 35 55.827 55.827 55.337 0.490 18261 3152 1 5 . 1 1 35 35 ALA CB C 35 18.098 18.098 18.805 -0.707 18261 3153 1 5 . 1 1 35 35 ALA H H 35 8.864 8.864 8.739 0.125 18261 3154 1 5 . 1 1 36 36 SER N N 36 112.708 112.708 114.032 -1.324 18261 3155 1 5 . 1 1 36 36 SER HA H 36 4.276 4.276 4.121 0.155 18261 3156 1 5 . 1 1 36 36 SER C C 36 177.033 177.033 176.595 0.438 18261 3157 1 5 . 1 1 36 36 SER CA C 36 61.403 61.403 61.378 0.025 18261 3158 1 5 . 1 1 36 36 SER CB C 36 62.371 62.371 62.901 -0.530 18261 3159 1 5 . 1 1 36 36 SER H H 36 8.389 8.389 8.339 0.050 18261 3160 1 5 . 1 1 37 37 GLN N N 37 121.595 121.595 121.403 0.192 18261 3161 1 5 . 1 1 37 37 GLN HA H 37 4.272 4.272 4.188 0.084 18261 3162 1 5 . 1 1 37 37 GLN C C 37 179.149 179.149 178.443 0.706 18261 3163 1 5 . 1 1 37 37 GLN CA C 37 58.638 58.638 59.085 -0.447 18261 3164 1 5 . 1 1 37 37 GLN CB C 37 29.123 29.123 28.427 0.696 18261 3165 1 5 . 1 1 37 37 GLN H H 37 7.621 7.621 8.367 -0.746 18261 3166 1 5 . 1 1 38 38 LEU N N 38 119.852 119.852 120.655 -0.803 18261 3167 1 5 . 1 1 38 38 LEU HA H 38 3.838 3.838 3.928 -0.089 18261 3168 1 5 . 1 1 38 38 LEU C C 38 179.675 179.675 178.736 0.939 18261 3169 1 5 . 1 1 38 38 LEU CA C 38 57.929 57.929 58.640 -0.711 18261 3170 1 5 . 1 1 38 38 LEU CB C 38 40.918 40.918 41.747 -0.829 18261 3171 1 5 . 1 1 38 38 LEU H H 38 8.341 8.341 8.728 -0.387 18261 3172 1 5 . 1 1 39 39 ASP N N 39 122.065 122.065 119.340 2.725 18261 3173 1 5 . 1 1 39 39 ASP HA H 39 4.439 4.439 4.323 0.116 18261 3174 1 5 . 1 1 39 39 ASP C C 39 179.224 179.224 178.166 1.058 18261 3175 1 5 . 1 1 39 39 ASP CA C 39 57.710 57.710 58.458 -0.748 18261 3176 1 5 . 1 1 39 39 ASP CB C 39 40.245 40.245 40.712 -0.467 18261 3177 1 5 . 1 1 39 39 ASP H H 39 7.955 7.955 7.998 -0.043 18261 3178 1 5 . 1 1 40 40 ASP N N 40 121.957 121.957 119.887 2.070 18261 3179 1 5 . 1 1 40 40 ASP HA H 40 4.483 4.483 4.407 0.076 18261 3180 1 5 . 1 1 40 40 ASP C C 40 179.600 179.600 178.485 1.115 18261 3181 1 5 . 1 1 40 40 ASP CA C 40 57.745 57.745 57.545 0.200 18261 3182 1 5 . 1 1 40 40 ASP CB C 40 40.190 40.190 40.692 -0.502 18261 3183 1 5 . 1 1 40 40 ASP H H 40 8.022 8.022 7.480 0.542 18261 3184 1 5 . 1 1 41 41 MET N N 41 121.160 121.160 119.367 1.793 18261 3185 1 5 . 1 1 41 41 MET HA H 41 4.204 4.204 4.074 0.130 18261 3186 1 5 . 1 1 41 41 MET C C 41 177.693 177.693 178.542 -0.849 18261 3187 1 5 . 1 1 41 41 MET CA C 41 57.634 57.634 58.450 -0.816 18261 3188 1 5 . 1 1 41 41 MET CB C 41 31.422 31.422 32.226 -0.804 18261 3189 1 5 . 1 1 41 41 MET H H 41 8.668 8.668 8.250 0.418 18261 3190 1 5 . 1 1 42 42 SER N N 42 116.421 116.421 113.500 2.921 18261 3191 1 5 . 1 1 42 42 SER HA H 42 4.304 4.304 4.173 0.131 18261 3192 1 5 . 1 1 42 42 SER C C 42 177.483 177.483 176.905 0.578 18261 3193 1 5 . 1 1 42 42 SER CA C 42 62.075 62.075 61.800 0.275 18261 3194 1 5 . 1 1 42 42 SER CB C 42 62.765 62.765 62.985 -0.220 18261 3195 1 5 . 1 1 42 42 SER H H 42 8.375 8.375 8.155 0.220 18261 3196 1 5 . 1 1 43 43 THR N N 43 118.797 118.797 118.675 0.122 18261 3197 1 5 . 1 1 43 43 THR HA H 43 4.042 4.042 4.088 -0.046 18261 3198 1 5 . 1 1 43 43 THR C C 43 177.258 177.258 176.883 0.375 18261 3199 1 5 . 1 1 43 43 THR CA C 43 66.584 66.584 66.352 0.232 18261 3200 1 5 . 1 1 43 43 THR CB C 43 68.490 68.490 68.752 -0.262 18261 3201 1 5 . 1 1 43 43 THR H H 43 7.928 7.928 7.557 0.371 18261 3202 1 5 . 1 1 44 44 ILE N N 44 122.960 122.960 121.861 1.099 18261 3203 1 5 . 1 1 44 44 ILE HA H 44 3.930 3.930 3.907 0.023 18261 3204 1 5 . 1 1 44 44 ILE C C 44 178.564 178.564 178.095 0.469 18261 3205 1 5 . 1 1 44 44 ILE CA C 44 64.483 64.483 62.120 2.363 18261 3206 1 5 . 1 1 44 44 ILE CB C 44 38.015 38.015 36.306 1.708 18261 3207 1 5 . 1 1 44 44 ILE H H 44 7.863 7.863 8.523 -0.660 18261 3208 1 5 . 1 1 45 45 ALA N N 45 124.792 124.792 122.486 2.306 18261 3209 1 5 . 1 1 45 45 ALA HA H 45 4.122 4.122 3.970 0.152 18261 3210 1 5 . 1 1 45 45 ALA C C 45 179.404 179.404 179.744 -0.340 18261 3211 1 5 . 1 1 45 45 ALA CA C 45 56.009 56.009 55.193 0.816 18261 3212 1 5 . 1 1 45 45 ALA CB C 45 18.908 18.908 18.307 0.601 18261 3213 1 5 . 1 1 45 45 ALA H H 45 8.853 8.853 8.519 0.334 18261 3214 1 5 . 1 1 46 46 GLN N N 46 116.307 116.307 117.283 -0.976 18261 3215 1 5 . 1 1 46 46 GLN HA H 46 4.068 4.068 4.063 0.005 18261 3216 1 5 . 1 1 46 46 GLN C C 46 179.014 179.014 178.573 0.441 18261 3217 1 5 . 1 1 46 46 GLN CA C 46 58.903 58.903 58.289 0.614 18261 3218 1 5 . 1 1 46 46 GLN CB C 46 28.250 28.250 27.694 0.556 18261 3219 1 5 . 1 1 46 46 GLN H H 46 8.238 8.238 7.903 0.335 18261 3220 1 5 . 1 1 47 47 SER N N 47 115.959 115.959 116.411 -0.452 18261 3221 1 5 . 1 1 47 47 SER HA H 47 4.261 4.261 4.170 0.091 18261 3222 1 5 . 1 1 47 47 SER C C 47 177.483 177.483 176.551 0.932 18261 3223 1 5 . 1 1 47 47 SER CA C 47 61.526 61.526 61.538 -0.012 18261 3224 1 5 . 1 1 47 47 SER CB C 47 62.842 62.842 62.253 0.589 18261 3225 1 5 . 1 1 47 47 SER H H 47 8.223 8.223 7.544 0.679 18261 3226 1 5 . 1 1 48 48 MET N N 48 121.963 121.963 122.710 -0.747 18261 3227 1 5 . 1 1 48 48 MET HA H 48 4.110 4.110 4.036 0.074 18261 3228 1 5 . 1 1 48 48 MET C C 48 177.798 177.798 177.478 0.320 18261 3229 1 5 . 1 1 48 48 MET CA C 48 57.531 57.531 57.711 -0.180 18261 3230 1 5 . 1 1 48 48 MET CB C 48 31.169 31.169 31.966 -0.797 18261 3231 1 5 . 1 1 48 48 MET H H 48 8.245 8.245 7.456 0.789 18261 3232 1 5 . 1 1 49 49 VAL N N 49 119.045 119.045 120.098 -1.053 18261 3233 1 5 . 1 1 49 49 VAL HA H 49 3.300 3.300 3.433 -0.133 18261 3234 1 5 . 1 1 49 49 VAL C C 49 177.910 177.910 178.138 -0.228 18261 3235 1 5 . 1 1 49 49 VAL CA C 49 67.811 67.811 66.685 1.126 18261 3236 1 5 . 1 1 49 49 VAL CB C 49 31.370 31.370 31.286 0.084 18261 3237 1 5 . 1 1 49 49 VAL H H 49 7.809 7.809 8.020 -0.211 18261 3238 1 5 . 1 1 50 50 GLN N N 50 118.357 118.357 117.971 0.386 18261 3239 1 5 . 1 1 50 50 GLN HA H 50 4.091 4.091 4.050 0.041 18261 3240 1 5 . 1 1 50 50 GLN C C 50 179.449 179.449 178.669 0.780 18261 3241 1 5 . 1 1 50 50 GLN CA C 50 59.056 59.056 58.678 0.378 18261 3242 1 5 . 1 1 50 50 GLN CB C 50 28.020 28.020 27.923 0.097 18261 3243 1 5 . 1 1 50 50 GLN H H 50 8.225 8.225 8.452 -0.227 18261 3244 1 5 . 1 1 51 51 SER N N 51 117.253 117.253 116.282 0.971 18261 3245 1 5 . 1 1 51 51 SER HA H 51 4.235 4.235 4.198 0.037 18261 3246 1 5 . 1 1 51 51 SER C C 51 176.374 176.374 176.423 -0.049 18261 3247 1 5 . 1 1 51 51 SER CA C 51 62.752 62.752 62.265 0.487 18261 3248 1 5 . 1 1 51 51 SER CB C 51 62.963 62.963 62.762 0.201 18261 3249 1 5 . 1 1 51 51 SER H H 51 8.328 8.328 7.335 0.993 18261 3250 1 5 . 1 1 52 52 ILE N N 52 123.114 123.114 122.654 0.460 18261 3251 1 5 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.584 0.015 18261 3252 1 5 . 1 1 52 52 ILE C C 52 178.684 178.684 177.542 1.142 18261 3253 1 5 . 1 1 52 52 ILE CA C 52 64.736 64.736 65.367 -0.631 18261 3254 1 5 . 1 1 52 52 ILE CB C 52 37.838 37.838 37.364 0.474 18261 3255 1 5 . 1 1 52 52 ILE H H 52 8.147 8.147 7.897 0.250 18261 3256 1 5 . 1 1 53 53 GLN N N 53 120.011 120.011 119.230 0.781 18261 3257 1 5 . 1 1 53 53 GLN HA H 53 3.946 3.946 3.988 -0.042 18261 3258 1 5 . 1 1 53 53 GLN C C 53 179.014 179.014 178.738 0.276 18261 3259 1 5 . 1 1 53 53 GLN CA C 53 59.501 59.501 59.071 0.430 18261 3260 1 5 . 1 1 53 53 GLN CB C 53 27.901 27.901 27.922 -0.021 18261 3261 1 5 . 1 1 53 53 GLN H H 53 8.583 8.583 8.449 0.134 18261 3262 1 5 . 1 1 54 54 SER N N 54 115.479 115.479 115.645 -0.166 18261 3263 1 5 . 1 1 54 54 SER HA H 54 4.302 4.302 4.262 0.040 18261 3264 1 5 . 1 1 54 54 SER C C 54 176.822 176.822 176.706 0.116 18261 3265 1 5 . 1 1 54 54 SER CA C 54 61.492 61.492 61.428 0.064 18261 3266 1 5 . 1 1 54 54 SER CB C 54 62.880 62.880 62.507 0.373 18261 3267 1 5 . 1 1 54 54 SER H H 54 8.271 8.271 7.623 0.647 18261 3268 1 5 . 1 1 55 55 LEU N N 55 121.519 121.519 122.090 -0.571 18261 3269 1 5 . 1 1 55 55 LEU HA H 55 4.068 4.068 4.028 0.040 18261 3270 1 5 . 1 1 55 55 LEU C C 55 179.434 179.434 178.555 0.879 18261 3271 1 5 . 1 1 55 55 LEU CA C 55 57.793 57.793 58.111 -0.318 18261 3272 1 5 . 1 1 55 55 LEU CB C 55 42.245 42.245 41.492 0.753 18261 3273 1 5 . 1 1 55 55 LEU H H 55 7.974 7.974 7.883 0.091 18261 3274 1 5 . 1 1 56 56 ALA N N 56 121.040 121.040 118.436 2.604 18261 3275 1 5 . 1 1 56 56 ALA HA H 56 4.228 4.228 4.229 -0.001 18261 3276 1 5 . 1 1 56 56 ALA C C 56 180.530 180.530 177.827 2.703 18261 3277 1 5 . 1 1 56 56 ALA CA C 56 54.331 54.331 53.604 0.727 18261 3278 1 5 . 1 1 56 56 ALA CB C 56 18.075 18.075 18.650 -0.575 18261 3279 1 5 . 1 1 56 56 ALA H H 56 8.032 8.032 8.405 -0.373 18261 3280 1 5 . 1 1 57 57 ALA N N 57 121.325 121.325 120.365 0.960 18261 3281 1 5 . 1 1 57 57 ALA HA H 57 4.219 4.219 4.327 -0.108 18261 3282 1 5 . 1 1 57 57 ALA C C 57 179.344 179.344 179.151 0.193 18261 3283 1 5 . 1 1 57 57 ALA CA C 57 54.446 54.446 53.755 0.691 18261 3284 1 5 . 1 1 57 57 ALA CB C 57 18.470 18.470 19.475 -1.005 18261 3285 1 5 . 1 1 57 57 ALA H H 57 8.030 8.030 7.509 0.521 18261 3286 1 5 . 1 1 58 58 GLN N N 58 114.257 114.257 117.275 -3.018 18261 3287 1 5 . 1 1 58 58 GLN HA H 58 4.356 4.356 4.322 0.034 18261 3288 1 5 . 1 1 58 58 GLN C C 58 176.612 176.612 176.614 -0.002 18261 3289 1 5 . 1 1 58 58 GLN CA C 58 55.957 55.957 55.889 0.068 18261 3290 1 5 . 1 1 58 58 GLN CB C 58 29.767 29.767 29.348 0.419 18261 3291 1 5 . 1 1 58 58 GLN H H 58 7.751 7.751 8.462 -0.711 18261 3292 1 5 . 1 1 59 59 GLY N N 59 108.304 108.304 107.846 0.458 18261 3293 1 5 . 1 1 59 59 GLY C C 59 174.856 174.856 174.607 0.249 18261 3294 1 5 . 1 1 59 59 GLY CA C 59 46.197 46.197 45.520 0.677 18261 3295 1 5 . 1 1 59 59 GLY H H 59 7.910 7.910 7.796 0.114 18261 3296 1 5 . 1 1 60 60 ARG N N 60 118.258 118.258 118.910 -0.652 18261 3297 1 5 . 1 1 60 60 ARG HA H 60 4.553 4.553 4.514 0.039 18261 3298 1 5 . 1 1 60 60 ARG C C 60 175.847 175.847 176.000 -0.153 18261 3299 1 5 . 1 1 60 60 ARG CA C 60 55.658 55.658 54.531 1.127 18261 3300 1 5 . 1 1 60 60 ARG CB C 60 31.714 31.714 30.725 0.989 18261 3301 1 5 . 1 1 60 60 ARG H H 60 8.108 8.108 8.287 -0.179 18261 3302 1 5 . 1 1 61 61 THR N N 61 115.924 115.924 113.296 2.628 18261 3303 1 5 . 1 1 61 61 THR HA H 61 4.785 4.785 4.356 0.429 18261 3304 1 5 . 1 1 61 61 THR C C 61 173.654 173.654 174.248 -0.594 18261 3305 1 5 . 1 1 61 61 THR CA C 61 63.140 63.140 62.366 0.774 18261 3306 1 5 . 1 1 61 61 THR CB C 61 68.602 68.602 68.061 0.540 18261 3307 1 5 . 1 1 61 61 THR H H 61 7.970 7.970 8.076 -0.106 18261 3308 1 5 . 1 1 62 62 SER N N 62 119.666 119.666 120.399 -0.733 18261 3309 1 5 . 1 1 62 62 SER HA H 62 4.902 4.902 4.896 0.006 18261 3310 1 5 . 1 1 62 62 SER C C 62 173.207 173.207 173.935 -0.728 18261 3311 1 5 . 1 1 62 62 SER CA C 62 56.193 56.193 54.263 1.930 18261 3312 1 5 . 1 1 62 62 SER CB C 62 63.781 63.781 64.733 -0.952 18261 3313 1 5 . 1 1 62 62 SER H H 62 7.788 7.788 7.902 -0.114 18261 3314 1 5 . 1 1 63 63 PRO HA H 63 4.313 4.313 4.169 0.144 18261 3315 1 5 . 1 1 63 63 PRO CA C 63 65.746 65.746 65.446 0.300 18261 3316 1 5 . 1 1 63 63 PRO CB C 63 32.147 32.147 31.795 0.352 18261 3317 1 5 . 1 1 64 64 ASN HA H 64 4.550 4.550 4.595 -0.045 18261 3318 1 5 . 1 1 64 64 ASN CA C 64 56.202 56.202 55.178 1.024 18261 3319 1 5 . 1 1 64 64 ASN CB C 64 38.000 38.000 38.273 -0.273 18261 3320 1 5 . 1 1 65 65 LYS N N 65 120.530 120.530 120.948 -0.418 18261 3321 1 5 . 1 1 65 65 LYS HA H 65 4.197 4.197 4.150 0.047 18261 3322 1 5 . 1 1 65 65 LYS C C 65 178.999 178.999 178.564 0.435 18261 3323 1 5 . 1 1 65 65 LYS CA C 65 58.250 58.250 59.082 -0.832 18261 3324 1 5 . 1 1 65 65 LYS CB C 65 32.498 32.498 32.650 -0.152 18261 3325 1 5 . 1 1 65 65 LYS H H 65 7.770 7.770 7.867 -0.097 18261 3326 1 5 . 1 1 66 66 LEU N N 66 118.804 118.804 118.699 0.105 18261 3327 1 5 . 1 1 66 66 LEU HA H 66 4.070 4.070 4.113 -0.043 18261 3328 1 5 . 1 1 66 66 LEU C C 66 178.928 178.928 178.826 0.102 18261 3329 1 5 . 1 1 66 66 LEU CA C 66 57.928 57.928 57.756 0.172 18261 3330 1 5 . 1 1 66 66 LEU CB C 66 41.329 41.329 41.644 -0.315 18261 3331 1 5 . 1 1 66 66 LEU H H 66 7.932 7.932 7.662 0.270 18261 3332 1 5 . 1 1 67 67 GLN N N 67 119.307 119.307 117.752 1.555 18261 3333 1 5 . 1 1 67 67 GLN HA H 67 4.224 4.224 4.150 0.074 18261 3334 1 5 . 1 1 67 67 GLN C C 67 178.789 178.789 177.912 0.877 18261 3335 1 5 . 1 1 67 67 GLN CA C 67 58.862 58.862 58.506 0.356 18261 3336 1 5 . 1 1 67 67 GLN CB C 67 28.052 28.052 27.473 0.579 18261 3337 1 5 . 1 1 67 67 GLN H H 67 8.160 8.160 8.612 -0.452 18261 3338 1 5 . 1 1 68 68 ALA N N 68 122.124 122.124 121.551 0.573 18261 3339 1 5 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.202 -0.012 18261 3340 1 5 . 1 1 68 68 ALA C C 68 180.320 180.320 179.190 1.130 18261 3341 1 5 . 1 1 68 68 ALA CA C 68 55.282 55.282 54.244 1.038 18261 3342 1 5 . 1 1 68 68 ALA CB C 68 18.251 18.251 18.438 -0.187 18261 3343 1 5 . 1 1 68 68 ALA H H 68 7.844 7.844 7.454 0.390 18261 3344 1 5 . 1 1 69 69 LEU N N 69 119.481 119.481 119.293 0.188 18261 3345 1 5 . 1 1 69 69 LEU HA H 69 3.912 3.912 3.753 0.159 18261 3346 1 5 . 1 1 69 69 LEU C C 69 178.864 178.864 178.677 0.187 18261 3347 1 5 . 1 1 69 69 LEU CA C 69 57.904 57.904 57.441 0.463 18261 3348 1 5 . 1 1 69 69 LEU CB C 69 41.052 41.052 40.929 0.123 18261 3349 1 5 . 1 1 69 69 LEU H H 69 7.819 7.819 7.668 0.151 18261 3350 1 5 . 1 1 70 70 ASN N N 70 119.633 119.633 118.650 0.983 18261 3351 1 5 . 1 1 70 70 ASN HA H 70 4.553 4.553 4.591 -0.038 18261 3352 1 5 . 1 1 70 70 ASN C C 70 177.483 177.483 177.331 0.152 18261 3353 1 5 . 1 1 70 70 ASN CA C 70 57.125 57.125 56.373 0.752 18261 3354 1 5 . 1 1 70 70 ASN CB C 70 38.392 38.392 38.008 0.384 18261 3355 1 5 . 1 1 70 70 ASN H H 70 8.265 8.265 7.873 0.392 18261 3356 1 5 . 1 1 71 71 MET N N 71 118.024 118.024 120.133 -2.109 18261 3357 1 5 . 1 1 71 71 MET HA H 71 4.201 4.201 4.117 0.084 18261 3358 1 5 . 1 1 71 71 MET C C 71 178.279 178.279 178.922 -0.643 18261 3359 1 5 . 1 1 71 71 MET CA C 71 59.445 59.445 60.001 -0.556 18261 3360 1 5 . 1 1 71 71 MET CB C 71 32.313 32.313 32.524 -0.211 18261 3361 1 5 . 1 1 71 71 MET H H 71 8.098 8.098 7.512 0.586 18261 3362 1 5 . 1 1 72 72 ARG N N 72 121.985 121.985 119.107 2.878 18261 3363 1 5 . 1 1 72 72 ARG HA H 72 3.981 3.981 3.992 -0.011 18261 3364 1 5 . 1 1 72 72 ARG C C 72 179.059 179.059 178.674 0.385 18261 3365 1 5 . 1 1 72 72 ARG CA C 72 59.058 59.058 59.281 -0.223 18261 3366 1 5 . 1 1 72 72 ARG CB C 72 30.120 30.120 29.441 0.679 18261 3367 1 5 . 1 1 72 72 ARG H H 72 8.292 8.292 7.919 0.373 18261 3368 1 5 . 1 1 73 73 PHE N N 73 122.085 122.085 120.807 1.278 18261 3369 1 5 . 1 1 73 73 PHE HA H 73 4.529 4.529 4.083 0.446 18261 3370 1 5 . 1 1 73 73 PHE C C 73 177.258 177.258 176.885 0.373 18261 3371 1 5 . 1 1 73 73 PHE CA C 73 59.248 59.248 60.888 -1.639 18261 3372 1 5 . 1 1 73 73 PHE CB C 73 39.527 39.527 38.741 0.786 18261 3373 1 5 . 1 1 73 73 PHE H H 73 8.703 8.703 8.608 0.095 18261 3374 1 5 . 1 1 74 74 ALA N N 74 119.273 119.273 120.994 -1.721 18261 3375 1 5 . 1 1 74 74 ALA HA H 74 3.764 3.764 3.756 0.008 18261 3376 1 5 . 1 1 74 74 ALA C C 74 179.374 179.374 179.523 -0.149 18261 3377 1 5 . 1 1 74 74 ALA CA C 74 55.324 55.324 55.213 0.111 18261 3378 1 5 . 1 1 74 74 ALA CB C 74 20.509 20.509 18.377 2.132 18261 3379 1 5 . 1 1 74 74 ALA H H 74 8.598 8.598 8.495 0.103 18261 3380 1 5 . 1 1 75 75 SER N N 75 113.611 113.611 114.326 -0.715 18261 3381 1 5 . 1 1 75 75 SER HA H 75 3.636 3.636 4.188 -0.552 18261 3382 1 5 . 1 1 75 75 SER CA C 75 61.936 61.936 61.834 0.102 18261 3383 1 5 . 1 1 75 75 SER CB C 75 61.869 61.869 62.618 -0.750 18261 3384 1 5 . 1 1 75 75 SER H H 75 8.780 8.780 8.164 0.616 18261 3385 1 5 . 1 1 76 76 SER N N 76 119.013 119.013 119.237 -0.224 18261 3386 1 5 . 1 1 76 76 SER HA H 76 4.310 4.310 4.193 0.117 18261 3387 1 5 . 1 1 76 76 SER CA C 76 62.536 62.536 62.066 0.470 18261 3388 1 5 . 1 1 76 76 SER CB C 76 62.943 62.943 63.025 -0.082 18261 3389 1 5 . 1 1 76 76 SER H H 76 8.210 8.210 8.145 0.065 18261 3390 1 5 . 1 1 77 77 MET N N 77 120.105 120.105 120.733 -0.628 18261 3391 1 5 . 1 1 77 77 MET HA H 77 4.027 4.027 4.188 -0.161 18261 3392 1 5 . 1 1 77 77 MET C C 77 178.354 178.354 177.806 0.548 18261 3393 1 5 . 1 1 77 77 MET CA C 77 59.954 59.954 58.849 1.105 18261 3394 1 5 . 1 1 77 77 MET CB C 77 34.616 34.616 32.378 2.238 18261 3395 1 5 . 1 1 77 77 MET H H 77 8.005 8.005 7.652 0.353 18261 3396 1 5 . 1 1 78 78 ALA N N 78 121.530 121.530 123.273 -1.743 18261 3397 1 5 . 1 1 78 78 ALA HA H 78 3.933 3.933 4.015 -0.082 18261 3398 1 5 . 1 1 78 78 ALA C C 78 178.354 178.354 179.647 -1.293 18261 3399 1 5 . 1 1 78 78 ALA CA C 78 55.427 55.427 55.740 -0.313 18261 3400 1 5 . 1 1 78 78 ALA CB C 78 20.344 20.344 17.818 2.526 18261 3401 1 5 . 1 1 78 78 ALA H H 78 8.550 8.550 8.058 0.492 18261 3402 1 5 . 1 1 79 79 GLU N N 79 117.137 117.137 118.237 -1.100 18261 3403 1 5 . 1 1 79 79 GLU HA H 79 3.919 3.919 4.041 -0.122 18261 3404 1 5 . 1 1 79 79 GLU C C 79 178.894 178.894 179.305 -0.411 18261 3405 1 5 . 1 1 79 79 GLU CA C 79 59.445 59.445 59.517 -0.072 18261 3406 1 5 . 1 1 79 79 GLU CB C 79 29.895 29.895 29.302 0.594 18261 3407 1 5 . 1 1 79 79 GLU H H 79 7.737 7.737 7.752 -0.015 18261 3408 1 5 . 1 1 80 80 ILE N N 80 118.063 118.063 119.588 -1.525 18261 3409 1 5 . 1 1 80 80 ILE HA H 80 3.932 3.932 3.711 0.221 18261 3410 1 5 . 1 1 80 80 ILE C C 80 179.014 179.014 177.547 1.467 18261 3411 1 5 . 1 1 80 80 ILE CA C 80 63.727 63.727 64.963 -1.236 18261 3412 1 5 . 1 1 80 80 ILE CB C 80 38.208 38.208 37.919 0.289 18261 3413 1 5 . 1 1 80 80 ILE H H 80 7.239 7.239 7.302 -0.063 18261 3414 1 5 . 1 1 81 81 ALA N N 81 121.494 121.494 120.575 0.919 18261 3415 1 5 . 1 1 81 81 ALA HA H 81 3.961 3.961 4.124 -0.163 18261 3416 1 5 . 1 1 81 81 ALA C C 81 177.258 177.258 179.718 -2.460 18261 3417 1 5 . 1 1 81 81 ALA CA C 81 54.668 54.668 54.667 0.001 18261 3418 1 5 . 1 1 81 81 ALA CB C 81 17.887 17.887 18.882 -0.995 18261 3419 1 5 . 1 1 81 81 ALA H H 81 8.495 8.495 8.109 0.386 18261 3420 1 5 . 1 1 82 82 ALA N N 82 116.416 116.416 120.556 -4.140 18261 3421 1 5 . 1 1 82 82 ALA HA H 82 4.316 4.316 4.110 0.206 18261 3422 1 5 . 1 1 82 82 ALA C C 82 177.693 177.693 179.166 -1.473 18261 3423 1 5 . 1 1 82 82 ALA CA C 82 52.630 52.630 53.960 -1.330 18261 3424 1 5 . 1 1 82 82 ALA CB C 82 19.224 19.224 19.005 0.219 18261 3425 1 5 . 1 1 82 82 ALA H H 82 8.034 8.034 8.315 -0.281 18261 3426 1 5 . 1 1 83 83 SER N N 83 112.672 112.672 115.227 -2.555 18261 3427 1 5 . 1 1 83 83 SER HA H 83 4.299 4.299 4.455 -0.156 18261 3428 1 5 . 1 1 83 83 SER C C 83 174.856 174.856 173.630 1.226 18261 3429 1 5 . 1 1 83 83 SER CA C 83 59.329 59.329 57.441 1.888 18261 3430 1 5 . 1 1 83 83 SER CB C 83 63.943 63.943 61.463 2.480 18261 3431 1 5 . 1 1 83 83 SER H H 83 7.437 7.437 7.947 -0.510 18261 3432 1 5 . 1 1 84 84 GLU N N 84 122.890 122.890 123.075 -0.185 18261 3433 1 5 . 1 1 84 84 GLU HA H 84 4.420 4.420 4.540 -0.120 18261 3434 1 5 . 1 1 84 84 GLU C C 84 176.597 176.597 176.582 0.015 18261 3435 1 5 . 1 1 84 84 GLU CA C 84 56.586 56.586 56.009 0.577 18261 3436 1 5 . 1 1 84 84 GLU CB C 84 30.648 30.648 28.404 2.244 18261 3437 1 5 . 1 1 84 84 GLU H H 84 8.245 8.245 7.910 0.335 18261 3438 1 5 . 1 1 85 85 GLU N N 85 122.062 122.062 123.619 -1.557 18261 3439 1 5 . 1 1 85 85 GLU HA H 85 4.285 4.285 4.135 0.150 18261 3440 1 5 . 1 1 85 85 GLU C C 85 177.258 177.258 177.566 -0.308 18261 3441 1 5 . 1 1 85 85 GLU CA C 85 57.128 57.128 57.899 -0.771 18261 3442 1 5 . 1 1 85 85 GLU CB C 85 30.121 30.121 29.495 0.626 18261 3443 1 5 . 1 1 85 85 GLU H H 85 8.477 8.477 8.236 0.241 18261 3444 1 5 . 1 1 86 86 GLY N N 86 110.431 110.431 105.066 5.365 18261 3445 1 5 . 1 1 86 86 GLY C C 86 174.856 174.856 174.314 0.542 18261 3446 1 5 . 1 1 86 86 GLY CA C 86 45.654 45.654 44.531 1.123 18261 3447 1 5 . 1 1 86 86 GLY H H 86 8.563 8.563 8.046 0.517 18261 3448 1 5 . 1 1 87 87 GLY N N 87 108.508 108.508 109.103 -0.595 18261 3449 1 5 . 1 1 87 87 GLY C C 87 174.436 174.436 174.639 -0.203 18261 3450 1 5 . 1 1 87 87 GLY CA C 87 45.396 45.396 44.682 0.714 18261 3451 1 5 . 1 1 87 87 GLY H H 87 8.274 8.274 7.420 0.854 18261 3452 1 5 . 1 1 88 88 GLY N N 88 107.821 107.821 107.038 0.783 18261 3453 1 5 . 1 1 88 88 GLY C C 88 173.325 173.325 173.853 -0.528 18261 3454 1 5 . 1 1 88 88 GLY CA C 88 44.814 44.814 44.580 0.234 18261 3455 1 5 . 1 1 88 88 GLY H H 88 8.105 8.105 8.543 -0.438 18261 3456 1 5 . 1 1 89 89 SER N N 89 115.747 115.747 114.438 1.309 18261 3457 1 5 . 1 1 89 89 SER HA H 89 4.582 4.582 4.015 0.567 18261 3458 1 5 . 1 1 89 89 SER C C 89 175.066 175.066 174.139 0.927 18261 3459 1 5 . 1 1 89 89 SER CA C 89 57.256 57.256 57.946 -0.690 18261 3460 1 5 . 1 1 89 89 SER CB C 89 65.130 65.130 63.208 1.922 18261 3461 1 5 . 1 1 89 89 SER H H 89 8.476 8.476 8.104 0.372 18261 3462 1 5 . 1 1 90 90 LEU N N 90 124.735 124.735 125.297 -0.562 18261 3463 1 5 . 1 1 90 90 LEU HA H 90 4.106 4.106 4.042 0.064 18261 3464 1 5 . 1 1 90 90 LEU C C 90 179.434 179.434 178.108 1.326 18261 3465 1 5 . 1 1 90 90 LEU CA C 90 58.434 58.434 57.931 0.503 18261 3466 1 5 . 1 1 90 90 LEU CB C 90 41.377 41.377 42.377 -1.000 18261 3467 1 5 . 1 1 90 90 LEU H H 90 8.860 8.860 8.678 0.182 18261 3468 1 5 . 1 1 91 91 SER N N 91 113.851 113.851 114.271 -0.420 18261 3469 1 5 . 1 1 91 91 SER C C 91 177.325 177.325 175.255 2.070 18261 3470 1 5 . 1 1 91 91 SER CA C 91 61.261 61.261 60.738 0.523 18261 3471 1 5 . 1 1 91 91 SER CB C 91 62.010 62.010 62.997 -0.987 18261 3472 1 5 . 1 1 91 91 SER H H 91 8.537 8.537 8.655 -0.118 18261 3473 1 5 . 1 1 92 92 THR N N 92 120.889 120.889 117.983 2.906 18261 3474 1 5 . 1 1 92 92 THR HA H 92 3.993 3.993 4.348 -0.355 18261 3475 1 5 . 1 1 92 92 THR C C 92 176.162 176.162 175.772 0.390 18261 3476 1 5 . 1 1 92 92 THR CA C 92 66.467 66.467 64.540 1.927 18261 3477 1 5 . 1 1 92 92 THR CB C 92 68.285 68.285 69.212 -0.927 18261 3478 1 5 . 1 1 92 92 THR H H 92 7.795 7.795 7.428 0.367 18261 3479 1 5 . 1 1 93 93 LYS N N 93 120.210 120.210 122.762 -2.552 18261 3480 1 5 . 1 1 93 93 LYS HA H 93 3.798 3.798 3.604 0.194 18261 3481 1 5 . 1 1 93 93 LYS CA C 93 61.044 61.044 59.919 1.125 18261 3482 1 5 . 1 1 93 93 LYS CB C 93 33.470 33.470 31.667 1.803 18261 3483 1 5 . 1 1 93 93 LYS H H 93 8.098 8.098 7.496 0.602 18261 3484 1 5 . 1 1 94 94 THR N N 94 111.485 111.485 112.310 -0.825 18261 3485 1 5 . 1 1 94 94 THR HA H 94 3.936 3.936 4.175 -0.239 18261 3486 1 5 . 1 1 94 94 THR C C 94 177.033 177.033 176.867 0.166 18261 3487 1 5 . 1 1 94 94 THR CA C 94 66.974 66.974 65.159 1.815 18261 3488 1 5 . 1 1 94 94 THR CB C 94 68.013 68.013 68.627 -0.614 18261 3489 1 5 . 1 1 94 94 THR H H 94 8.891 8.891 8.138 0.753 18261 3490 1 5 . 1 1 95 95 SER N N 95 118.938 118.938 117.195 1.743 18261 3491 1 5 . 1 1 95 95 SER HA H 95 4.394 4.394 4.534 -0.140 18261 3492 1 5 . 1 1 95 95 SER C C 95 177.828 177.828 176.222 1.606 18261 3493 1 5 . 1 1 95 95 SER CA C 95 61.990 61.990 61.020 0.970 18261 3494 1 5 . 1 1 95 95 SER CB C 95 62.580 62.580 63.258 -0.678 18261 3495 1 5 . 1 1 95 95 SER H H 95 8.118 8.118 7.802 0.316 18261 3496 1 5 . 1 1 96 96 SER N N 96 121.520 121.520 119.952 1.568 18261 3497 1 5 . 1 1 96 96 SER HA H 96 4.457 4.457 4.223 0.234 18261 3498 1 5 . 1 1 96 96 SER CA C 96 62.695 62.695 62.456 0.239 18261 3499 1 5 . 1 1 96 96 SER CB C 96 62.796 62.796 63.211 -0.415 18261 3500 1 5 . 1 1 96 96 SER H H 96 8.603 8.603 7.922 0.681 18261 3501 1 5 . 1 1 97 97 ILE N N 97 122.420 122.420 121.269 1.151 18261 3502 1 5 . 1 1 97 97 ILE HA H 97 3.792 3.792 3.684 0.108 18261 3503 1 5 . 1 1 97 97 ILE C C 97 177.693 177.693 177.637 0.056 18261 3504 1 5 . 1 1 97 97 ILE CA C 97 66.722 66.722 65.580 1.142 18261 3505 1 5 . 1 1 97 97 ILE CB C 97 38.645 38.645 37.657 0.988 18261 3506 1 5 . 1 1 97 97 ILE H H 97 8.516 8.516 8.222 0.294 18261 3507 1 5 . 1 1 98 98 ALA N N 98 122.031 122.031 121.762 0.269 18261 3508 1 5 . 1 1 98 98 ALA HA H 98 4.063 4.063 4.202 -0.139 18261 3509 1 5 . 1 1 98 98 ALA C C 98 180.740 180.740 179.900 0.840 18261 3510 1 5 . 1 1 98 98 ALA CA C 98 56.158 56.158 54.881 1.277 18261 3511 1 5 . 1 1 98 98 ALA CB C 98 18.347 18.347 18.089 0.258 18261 3512 1 5 . 1 1 98 98 ALA H H 98 8.437 8.437 8.252 0.185 18261 3513 1 5 . 1 1 99 99 SER N N 99 115.676 115.676 115.021 0.655 18261 3514 1 5 . 1 1 99 99 SER HA H 99 4.369 4.369 4.202 0.167 18261 3515 1 5 . 1 1 99 99 SER C C 99 177.168 177.168 176.377 0.791 18261 3516 1 5 . 1 1 99 99 SER CA C 99 61.959 61.959 61.572 0.387 18261 3517 1 5 . 1 1 99 99 SER CB C 99 63.160 63.160 62.944 0.215 18261 3518 1 5 . 1 1 99 99 SER H H 99 8.611 8.611 7.876 0.735 18261 3519 1 5 . 1 1 100 100 ALA N N 100 124.275 124.275 124.544 -0.269 18261 3520 1 5 . 1 1 100 100 ALA HA H 100 4.243 4.243 3.921 0.322 18261 3521 1 5 . 1 1 100 100 ALA C C 100 181.851 181.851 179.531 2.320 18261 3522 1 5 . 1 1 100 100 ALA CA C 100 55.321 55.321 54.887 0.434 18261 3523 1 5 . 1 1 100 100 ALA CB C 100 18.479 18.479 18.116 0.363 18261 3524 1 5 . 1 1 100 100 ALA H H 100 8.973 8.973 7.811 1.162 18261 3525 1 5 . 1 1 101 101 MET N N 101 118.986 118.986 118.615 0.371 18261 3526 1 5 . 1 1 101 101 MET HA H 101 4.063 4.063 3.987 0.076 18261 3527 1 5 . 1 1 101 101 MET C C 101 177.483 177.483 178.821 -1.338 18261 3528 1 5 . 1 1 101 101 MET CA C 101 60.999 60.999 59.959 1.040 18261 3529 1 5 . 1 1 101 101 MET CB C 101 34.583 34.583 32.977 1.606 18261 3530 1 5 . 1 1 101 101 MET H H 101 9.072 9.072 8.713 0.359 18261 3531 1 5 . 1 1 102 102 SER N N 102 116.650 116.650 115.739 0.911 18261 3532 1 5 . 1 1 102 102 SER HA H 102 4.370 4.370 4.348 0.022 18261 3533 1 5 . 1 1 102 102 SER C C 102 176.357 176.357 176.705 -0.348 18261 3534 1 5 . 1 1 102 102 SER CA C 102 63.278 63.278 62.561 0.717 18261 3535 1 5 . 1 1 102 102 SER CB C 102 62.523 62.523 62.902 -0.379 18261 3536 1 5 . 1 1 102 102 SER H H 102 8.673 8.673 8.580 0.093 18261 3537 1 5 . 1 1 103 103 ASN N N 103 118.060 118.060 119.769 -1.709 18261 3538 1 5 . 1 1 103 103 ASN HA H 103 4.477 4.477 4.483 -0.006 18261 3539 1 5 . 1 1 103 103 ASN C C 103 176.603 176.603 177.141 -0.538 18261 3540 1 5 . 1 1 103 103 ASN CA C 103 56.564 56.564 55.769 0.795 18261 3541 1 5 . 1 1 103 103 ASN CB C 103 38.362 38.362 38.306 0.056 18261 3542 1 5 . 1 1 103 103 ASN H H 103 8.098 8.098 8.296 -0.198 18261 3543 1 5 . 1 1 104 104 ALA N N 104 122.235 122.235 121.989 0.246 18261 3544 1 5 . 1 1 104 104 ALA HA H 104 4.255 4.255 3.901 0.354 18261 3545 1 5 . 1 1 104 104 ALA C C 104 181.701 181.701 179.779 1.922 18261 3546 1 5 . 1 1 104 104 ALA CA C 104 54.815 54.815 54.646 0.169 18261 3547 1 5 . 1 1 104 104 ALA CB C 104 18.177 18.177 17.674 0.503 18261 3548 1 5 . 1 1 104 104 ALA H H 104 7.919 7.919 7.810 0.109 18261 3549 1 5 . 1 1 105 105 PHE N N 105 119.159 119.159 119.071 0.088 18261 3550 1 5 . 1 1 105 105 PHE HA H 105 4.401 4.401 4.513 -0.112 18261 3551 1 5 . 1 1 105 105 PHE C C 105 179.224 179.224 178.213 1.011 18261 3552 1 5 . 1 1 105 105 PHE CA C 105 63.744 63.744 61.120 2.624 18261 3553 1 5 . 1 1 105 105 PHE CB C 105 39.417 39.417 38.716 0.701 18261 3554 1 5 . 1 1 105 105 PHE H H 105 8.615 8.615 8.015 0.600 18261 3555 1 5 . 1 1 106 106 LEU N N 106 121.765 121.765 119.232 2.533 18261 3556 1 5 . 1 1 106 106 LEU HA H 106 3.741 3.741 4.040 -0.299 18261 3557 1 5 . 1 1 106 106 LEU C C 106 179.074 179.074 179.488 -0.414 18261 3558 1 5 . 1 1 106 106 LEU CA C 106 59.086 59.086 58.616 0.470 18261 3559 1 5 . 1 1 106 106 LEU CB C 106 41.265 41.265 41.302 -0.037 18261 3560 1 5 . 1 1 106 106 LEU H H 106 8.259 8.259 7.899 0.360 18261 3561 1 5 . 1 1 107 107 GLN N N 107 114.755 114.755 116.784 -2.029 18261 3562 1 5 . 1 1 107 107 GLN HA H 107 4.189 4.189 4.233 -0.044 18261 3563 1 5 . 1 1 107 107 GLN C C 107 176.822 176.822 177.875 -1.053 18261 3564 1 5 . 1 1 107 107 GLN CA C 107 57.461 57.461 58.103 -0.642 18261 3565 1 5 . 1 1 107 107 GLN CB C 107 29.393 29.393 28.441 0.952 18261 3566 1 5 . 1 1 107 107 GLN H H 107 8.176 8.176 7.816 0.360 18261 3567 1 5 . 1 1 108 108 THR N N 108 108.074 108.074 113.048 -4.974 18261 3568 1 5 . 1 1 108 108 THR HA H 108 4.517 4.517 4.356 0.161 18261 3569 1 5 . 1 1 108 108 THR C C 108 175.952 175.952 175.889 0.063 18261 3570 1 5 . 1 1 108 108 THR CA C 108 62.526 62.526 64.610 -2.084 18261 3571 1 5 . 1 1 108 108 THR CB C 108 70.320 70.320 69.088 1.232 18261 3572 1 5 . 1 1 108 108 THR H H 108 7.740 7.740 7.897 -0.157 18261 3573 1 5 . 1 1 109 109 THR N N 109 113.029 113.029 113.400 -0.371 18261 3574 1 5 . 1 1 109 109 THR HA H 109 4.620 4.620 4.471 0.149 18261 3575 1 5 . 1 1 109 109 THR C C 109 176.162 176.162 175.788 0.374 18261 3576 1 5 . 1 1 109 109 THR CA C 109 62.255 62.255 62.094 0.161 18261 3577 1 5 . 1 1 109 109 THR CB C 109 70.768 70.768 69.997 0.771 18261 3578 1 5 . 1 1 109 109 THR H H 109 8.869 8.869 7.915 0.954 18261 3579 1 5 . 1 1 110 110 GLY N N 110 109.433 109.433 110.221 -0.788 18261 3580 1 5 . 1 1 110 110 GLY C C 110 172.889 172.889 173.715 -0.826 18261 3581 1 5 . 1 1 110 110 GLY CA C 110 45.555 45.555 45.705 -0.149 18261 3582 1 5 . 1 1 110 110 GLY H H 110 8.298 8.298 8.419 -0.121 18261 3583 1 5 . 1 1 111 111 VAL N N 111 119.167 119.167 118.571 0.596 18261 3584 1 5 . 1 1 111 111 VAL HA H 111 4.266 4.266 4.345 -0.079 18261 3585 1 5 . 1 1 111 111 VAL C C 111 174.421 174.421 174.725 -0.304 18261 3586 1 5 . 1 1 111 111 VAL CA C 111 60.783 60.783 60.876 -0.093 18261 3587 1 5 . 1 1 111 111 VAL CB C 111 35.394 35.394 35.717 -0.323 18261 3588 1 5 . 1 1 111 111 VAL H H 111 7.786 7.786 7.526 0.260 18261 3589 1 5 . 1 1 112 112 VAL N N 112 124.920 124.920 123.756 1.164 18261 3590 1 5 . 1 1 112 112 VAL HA H 112 3.251 3.251 4.000 -0.749 18261 3591 1 5 . 1 1 112 112 VAL C C 112 174.646 174.646 174.215 0.431 18261 3592 1 5 . 1 1 112 112 VAL CA C 112 64.409 64.409 60.071 4.338 18261 3593 1 5 . 1 1 112 112 VAL CB C 112 32.626 32.626 35.143 -2.517 18261 3594 1 5 . 1 1 112 112 VAL H H 112 8.721 8.721 8.168 0.553 18261 3595 1 5 . 1 1 113 113 ASN HA H 113 4.505 4.505 4.581 -0.076 18261 3596 1 5 . 1 1 113 113 ASN CA C 113 50.080 50.080 51.800 -1.720 18261 3597 1 5 . 1 1 113 113 ASN CB C 113 36.910 36.910 38.181 -1.271 18261 3598 1 5 . 1 1 114 114 GLN N N 114 123.939 123.939 128.587 -4.648 18261 3599 1 5 . 1 1 114 114 GLN HA H 114 3.944 3.944 4.350 -0.406 18261 3600 1 5 . 1 1 114 114 GLN C C 114 174.811 174.811 175.294 -0.483 18261 3601 1 5 . 1 1 114 114 GLN CA C 114 59.348 59.348 60.185 -0.837 18261 3602 1 5 . 1 1 114 114 GLN CB C 114 26.505 26.505 26.989 -0.484 18261 3603 1 5 . 1 1 114 114 GLN H H 114 8.368 8.368 8.399 -0.031 18261 3604 1 5 . 1 1 115 115 PRO HA H 115 4.243 4.243 4.146 0.097 18261 3605 1 5 . 1 1 115 115 PRO CA C 115 66.602 66.602 66.244 0.358 18261 3606 1 5 . 1 1 115 115 PRO CB C 115 31.215 31.215 31.324 -0.109 18261 3607 1 5 . 1 1 116 116 PHE N N 116 117.612 117.612 117.484 0.128 18261 3608 1 5 . 1 1 116 116 PHE HA H 116 4.209 4.209 4.580 -0.371 18261 3609 1 5 . 1 1 116 116 PHE C C 116 176.597 176.597 177.894 -1.297 18261 3610 1 5 . 1 1 116 116 PHE CA C 116 61.261 61.261 61.285 -0.024 18261 3611 1 5 . 1 1 116 116 PHE CB C 116 39.506 39.506 39.603 -0.097 18261 3612 1 5 . 1 1 116 116 PHE H H 116 7.249 7.249 8.373 -1.124 18261 3613 1 5 . 1 1 117 117 ILE N N 117 119.233 119.233 120.084 -0.851 18261 3614 1 5 . 1 1 117 117 ILE HA H 117 3.537 3.537 3.768 -0.231 18261 3615 1 5 . 1 1 117 117 ILE C C 117 178.789 178.789 177.826 0.963 18261 3616 1 5 . 1 1 117 117 ILE CA C 117 65.677 65.677 65.419 0.258 18261 3617 1 5 . 1 1 117 117 ILE CB C 117 38.125 38.125 37.684 0.442 18261 3618 1 5 . 1 1 117 117 ILE H H 117 7.652 7.652 7.738 -0.086 18261 3619 1 5 . 1 1 118 118 ASN N N 118 119.875 119.875 119.124 0.751 18261 3620 1 5 . 1 1 118 118 ASN HA H 118 4.304 4.304 4.567 -0.263 18261 3621 1 5 . 1 1 118 118 ASN C C 118 177.033 177.033 178.498 -1.465 18261 3622 1 5 . 1 1 118 118 ASN CA C 118 55.716 55.716 55.987 -0.271 18261 3623 1 5 . 1 1 118 118 ASN CB C 118 37.423 37.423 37.893 -0.470 18261 3624 1 5 . 1 1 118 118 ASN H H 118 8.975 8.975 8.572 0.403 18261 3625 1 5 . 1 1 119 119 GLU N N 119 121.029 121.029 121.001 0.028 18261 3626 1 5 . 1 1 119 119 GLU HA H 119 4.026 4.026 4.028 -0.002 18261 3627 1 5 . 1 1 119 119 GLU C C 119 178.564 178.564 178.744 -0.180 18261 3628 1 5 . 1 1 119 119 GLU CA C 119 59.426 59.426 59.148 0.278 18261 3629 1 5 . 1 1 119 119 GLU CB C 119 29.646 29.646 29.535 0.111 18261 3630 1 5 . 1 1 119 119 GLU H H 119 8.120 8.120 7.549 0.571 18261 3631 1 5 . 1 1 120 120 ILE N N 120 117.654 117.654 119.369 -1.715 18261 3632 1 5 . 1 1 120 120 ILE HA H 120 3.734 3.734 3.824 -0.090 18261 3633 1 5 . 1 1 120 120 ILE C C 120 178.279 178.279 178.389 -0.110 18261 3634 1 5 . 1 1 120 120 ILE CA C 120 62.756 62.756 65.091 -2.335 18261 3635 1 5 . 1 1 120 120 ILE CB C 120 35.645 35.645 37.984 -2.339 18261 3636 1 5 . 1 1 120 120 ILE H H 120 8.077 8.077 7.660 0.417 18261 3637 1 5 . 1 1 121 121 THR N N 121 112.585 112.585 114.884 -2.299 18261 3638 1 5 . 1 1 121 121 THR HA H 121 3.753 3.753 4.016 -0.263 18261 3639 1 5 . 1 1 121 121 THR C C 121 177.258 177.258 176.787 0.471 18261 3640 1 5 . 1 1 121 121 THR CA C 121 67.090 67.090 66.230 0.860 18261 3641 1 5 . 1 1 121 121 THR CB C 121 68.254 68.254 68.383 -0.129 18261 3642 1 5 . 1 1 121 121 THR H H 121 8.640 8.640 8.307 0.333 18261 3643 1 5 . 1 1 122 122 GLN N N 122 123.063 123.063 119.487 3.576 18261 3644 1 5 . 1 1 122 122 GLN HA H 122 4.091 4.091 4.257 -0.166 18261 3645 1 5 . 1 1 122 122 GLN C C 122 179.014 179.014 177.687 1.327 18261 3646 1 5 . 1 1 122 122 GLN CA C 122 59.192 59.192 57.780 1.412 18261 3647 1 5 . 1 1 122 122 GLN CB C 122 28.020 28.020 28.212 -0.192 18261 3648 1 5 . 1 1 122 122 GLN H H 122 8.111 8.111 7.777 0.334 18261 3649 1 5 . 1 1 123 123 LEU N N 123 120.494 120.494 119.454 1.040 18261 3650 1 5 . 1 1 123 123 LEU HA H 123 3.841 3.841 4.213 -0.372 18261 3651 1 5 . 1 1 123 123 LEU C C 123 178.354 178.354 178.520 -0.166 18261 3652 1 5 . 1 1 123 123 LEU CA C 123 58.005 58.005 56.378 1.627 18261 3653 1 5 . 1 1 123 123 LEU CB C 123 42.580 42.580 42.817 -0.237 18261 3654 1 5 . 1 1 123 123 LEU H H 123 8.131 8.131 7.516 0.615 18261 3655 1 5 . 1 1 124 124 VAL N N 124 118.543 118.543 121.659 -3.116 18261 3656 1 5 . 1 1 124 124 VAL HA H 124 3.560 3.560 3.643 -0.083 18261 3657 1 5 . 1 1 124 124 VAL C C 124 177.453 177.453 178.560 -1.107 18261 3658 1 5 . 1 1 124 124 VAL CA C 124 67.297 67.297 67.187 0.110 18261 3659 1 5 . 1 1 124 124 VAL CB C 124 31.526 31.526 31.680 -0.155 18261 3660 1 5 . 1 1 124 124 VAL H H 124 8.732 8.732 8.795 -0.063 18261 3661 1 5 . 1 1 125 125 SER N N 125 112.449 112.449 113.429 -0.980 18261 3662 1 5 . 1 1 125 125 SER HA H 125 4.044 4.044 4.119 -0.075 18261 3663 1 5 . 1 1 125 125 SER C C 125 175.937 175.937 176.188 -0.251 18261 3664 1 5 . 1 1 125 125 SER CA C 125 62.356 62.356 61.546 0.810 18261 3665 1 5 . 1 1 125 125 SER CB C 125 62.890 62.890 62.916 -0.027 18261 3666 1 5 . 1 1 125 125 SER H H 125 7.863 7.863 7.645 0.218 18261 3667 1 5 . 1 1 126 126 MET N N 126 120.797 120.797 121.367 -0.570 18261 3668 1 5 . 1 1 126 126 MET HA H 126 4.051 4.051 4.059 -0.008 18261 3669 1 5 . 1 1 126 126 MET C C 126 179.254 179.254 178.245 1.009 18261 3670 1 5 . 1 1 126 126 MET CA C 126 58.939 58.939 59.037 -0.098 18261 3671 1 5 . 1 1 126 126 MET CB C 126 32.625 32.625 32.366 0.259 18261 3672 1 5 . 1 1 126 126 MET H H 126 8.033 8.033 7.667 0.366 18261 3673 1 5 . 1 1 127 127 PHE N N 127 118.244 118.244 117.173 1.071 18261 3674 1 5 . 1 1 127 127 PHE HA H 127 4.398 4.398 4.245 0.153 18261 3675 1 5 . 1 1 127 127 PHE C C 127 178.128 178.128 177.568 0.560 18261 3676 1 5 . 1 1 127 127 PHE CA C 127 59.991 59.991 60.871 -0.880 18261 3677 1 5 . 1 1 127 127 PHE CB C 127 38.584 38.584 38.215 0.369 18261 3678 1 5 . 1 1 127 127 PHE H H 127 8.753 8.753 8.256 0.497 18261 3679 1 5 . 1 1 128 128 ALA N N 128 120.518 120.518 121.533 -1.015 18261 3680 1 5 . 1 1 128 128 ALA HA H 128 4.152 4.152 4.155 -0.003 18261 3681 1 5 . 1 1 128 128 ALA C C 128 178.789 178.789 179.968 -1.179 18261 3682 1 5 . 1 1 128 128 ALA CA C 128 54.570 54.570 54.202 0.368 18261 3683 1 5 . 1 1 128 128 ALA CB C 128 19.373 19.373 19.030 0.342 18261 3684 1 5 . 1 1 128 128 ALA H H 128 8.681 8.681 8.192 0.489 18261 3685 1 5 . 1 1 129 129 GLN N N 129 115.315 115.315 118.664 -3.349 18261 3686 1 5 . 1 1 129 129 GLN HA H 129 4.197 4.197 4.018 0.179 18261 3687 1 5 . 1 1 129 129 GLN C C 129 177.258 177.258 178.065 -0.807 18261 3688 1 5 . 1 1 129 129 GLN CA C 129 57.519 57.519 58.329 -0.810 18261 3689 1 5 . 1 1 129 129 GLN CB C 129 29.271 29.271 28.560 0.711 18261 3690 1 5 . 1 1 129 129 GLN H H 129 7.835 7.835 8.151 -0.316 18261 3691 1 5 . 1 1 130 130 ALA N N 130 121.556 121.556 121.447 0.109 18261 3692 1 5 . 1 1 130 130 ALA HA H 130 4.285 4.285 4.177 0.108 18261 3693 1 5 . 1 1 130 130 ALA C C 130 178.564 178.564 178.878 -0.314 18261 3694 1 5 . 1 1 130 130 ALA CA C 130 53.823 53.823 54.141 -0.318 18261 3695 1 5 . 1 1 130 130 ALA CB C 130 19.058 19.058 18.514 0.544 18261 3696 1 5 . 1 1 130 130 ALA H H 130 7.758 7.758 7.851 -0.093 18261 3697 1 5 . 1 1 131 131 GLY N N 131 105.780 105.780 104.193 1.587 18261 3698 1 5 . 1 1 131 131 GLY C C 131 173.970 173.970 174.773 -0.803 18261 3699 1 5 . 1 1 131 131 GLY CA C 131 45.702 45.702 45.593 0.109 18261 3700 1 5 . 1 1 131 131 GLY H H 131 8.222 8.222 8.208 0.014 18261 3701 1 5 . 1 1 132 132 MET N N 132 118.358 118.358 119.971 -1.613 18261 3702 1 5 . 1 1 132 132 MET HA H 132 4.540 4.540 4.368 0.172 18261 3703 1 5 . 1 1 132 132 MET C C 132 175.952 175.952 177.345 -1.393 18261 3704 1 5 . 1 1 132 132 MET CA C 132 55.611 55.611 57.415 -1.804 18261 3705 1 5 . 1 1 132 132 MET CB C 132 33.473 33.473 33.796 -0.323 18261 3706 1 5 . 1 1 132 132 MET H H 132 7.763 7.763 7.795 -0.032 18261 3707 1 5 . 1 1 133 133 ASN N N 133 119.002 119.002 117.965 1.037 18261 3708 1 5 . 1 1 133 133 ASN HA H 133 4.725 4.725 4.946 -0.221 18261 3709 1 5 . 1 1 133 133 ASN C C 133 174.646 174.646 173.806 0.840 18261 3710 1 5 . 1 1 133 133 ASN CA C 133 53.512 53.512 52.472 1.040 18261 3711 1 5 . 1 1 133 133 ASN CB C 133 39.301 39.301 39.739 -0.438 18261 3712 1 5 . 1 1 133 133 ASN H H 133 8.289 8.289 7.739 0.550 18261 3713 1 5 . 1 1 134 134 ASP N N 134 120.907 120.907 120.268 0.639 18261 3714 1 5 . 1 1 134 134 ASP HA H 134 4.659 4.659 4.580 0.079 18261 3715 1 5 . 1 1 134 134 ASP C C 134 176.162 176.162 175.323 0.839 18261 3716 1 5 . 1 1 134 134 ASP CA C 134 54.379 54.379 55.167 -0.788 18261 3717 1 5 . 1 1 134 134 ASP CB C 134 41.291 41.291 40.220 1.071 18261 3718 1 5 . 1 1 134 134 ASP H H 134 8.364 8.364 8.732 -0.368 18261 3719 1 5 . 1 1 135 135 VAL N N 135 119.971 119.971 123.915 -3.944 18261 3720 1 5 . 1 1 135 135 VAL HA H 135 4.214 4.214 4.267 -0.053 18261 3721 1 5 . 1 1 135 135 VAL C C 135 176.162 176.162 174.946 1.216 18261 3722 1 5 . 1 1 135 135 VAL CA C 135 62.157 62.157 61.965 0.192 18261 3723 1 5 . 1 1 135 135 VAL CB C 135 32.644 32.644 33.427 -0.783 18261 3724 1 5 . 1 1 135 135 VAL H H 135 8.118 8.118 7.783 0.335 18261 3725 1 5 . 1 1 136 136 SER N N 136 119.918 119.918 119.630 0.288 18261 3726 1 5 . 1 1 136 136 SER HA H 136 4.462 4.462 4.683 -0.221 18261 3727 1 5 . 1 1 136 136 SER C C 136 173.325 173.325 173.312 0.013 18261 3728 1 5 . 1 1 136 136 SER CA C 136 58.342 58.342 58.160 0.182 18261 3729 1 5 . 1 1 136 136 SER CB C 136 64.041 64.041 62.533 1.508 18261 3730 1 5 . 1 1 136 136 SER H H 136 8.410 8.410 8.460 -0.050 18261 3731 1 6 . 1 1 3 3 GLY CA C 3 45.200 45.200 44.808 0.392 18261 3732 1 6 . 1 1 4 4 ASN N N 4 124.083 124.083 123.754 0.329 18261 3733 1 6 . 1 1 4 4 ASN HA H 4 4.530 4.530 4.653 -0.123 18261 3734 1 6 . 1 1 4 4 ASN C C 4 179.449 179.449 175.204 4.245 18261 3735 1 6 . 1 1 4 4 ASN CA C 4 54.803 54.803 54.256 0.547 18261 3736 1 6 . 1 1 4 4 ASN CB C 4 41.106 41.106 38.881 2.225 18261 3737 1 6 . 1 1 4 4 ASN H H 4 7.981 7.981 8.435 -0.454 18261 3738 1 6 . 1 1 6 6 HIS HA H 6 4.693 4.693 4.717 -0.024 18261 3739 1 6 . 1 1 6 6 HIS CA C 6 56.115 56.115 55.032 1.083 18261 3740 1 6 . 1 1 6 6 HIS CB C 6 31.011 31.011 30.993 0.018 18261 3741 1 6 . 1 1 7 7 THR N N 7 115.238 115.238 124.508 -9.270 18261 3742 1 6 . 1 1 7 7 THR HA H 7 4.318 4.318 4.186 0.132 18261 3743 1 6 . 1 1 7 7 THR C C 7 173.970 173.970 173.447 0.523 18261 3744 1 6 . 1 1 7 7 THR CA C 7 62.099 62.099 62.961 -0.862 18261 3745 1 6 . 1 1 7 7 THR CB C 7 69.779 69.779 67.836 1.943 18261 3746 1 6 . 1 1 7 7 THR H H 7 8.120 8.120 8.312 -0.192 18261 3747 1 6 . 1 1 8 8 THR N N 8 115.713 115.713 122.058 -6.345 18261 3748 1 6 . 1 1 8 8 THR HA H 8 4.146 4.146 4.246 -0.100 18261 3749 1 6 . 1 1 8 8 THR C C 8 172.664 172.664 172.984 -0.320 18261 3750 1 6 . 1 1 8 8 THR CA C 8 58.349 58.349 58.944 -0.595 18261 3751 1 6 . 1 1 8 8 THR CB C 8 69.219 69.219 70.532 -1.313 18261 3752 1 6 . 1 1 8 8 THR H H 8 7.977 7.977 7.758 0.219 18261 3753 1 6 . 1 1 9 9 PRO HA H 9 3.939 3.939 4.039 -0.100 18261 3754 1 6 . 1 1 9 9 PRO CA C 9 62.965 62.965 63.928 -0.963 18261 3755 1 6 . 1 1 9 9 PRO CB C 9 30.610 30.610 30.818 -0.208 18261 3756 1 6 . 1 1 10 10 TRP N N 10 111.487 111.487 115.645 -4.158 18261 3757 1 6 . 1 1 10 10 TRP HA H 10 4.899 4.899 4.624 0.275 18261 3758 1 6 . 1 1 10 10 TRP C C 10 175.817 175.817 176.512 -0.695 18261 3759 1 6 . 1 1 10 10 TRP CA C 10 54.292 54.292 55.475 -1.183 18261 3760 1 6 . 1 1 10 10 TRP CB C 10 31.219 31.219 28.682 2.537 18261 3761 1 6 . 1 1 10 10 TRP H H 10 6.681 6.681 7.251 -0.570 18261 3762 1 6 . 1 1 11 11 THR N N 11 106.120 106.120 113.272 -7.152 18261 3763 1 6 . 1 1 11 11 THR HA H 11 3.905 3.905 4.126 -0.221 18261 3764 1 6 . 1 1 11 11 THR C C 11 173.970 173.970 175.091 -1.121 18261 3765 1 6 . 1 1 11 11 THR CA C 11 63.937 63.937 63.913 0.024 18261 3766 1 6 . 1 1 11 11 THR CB C 11 69.242 69.242 68.989 0.253 18261 3767 1 6 . 1 1 11 11 THR H H 11 7.189 7.189 7.283 -0.094 18261 3768 1 6 . 1 1 12 12 ASN N N 12 116.403 116.403 119.335 -2.932 18261 3769 1 6 . 1 1 12 12 ASN HA H 12 5.115 5.115 5.216 -0.101 18261 3770 1 6 . 1 1 12 12 ASN C C 12 172.889 172.889 174.193 -1.304 18261 3771 1 6 . 1 1 12 12 ASN CA C 12 51.276 51.276 50.457 0.819 18261 3772 1 6 . 1 1 12 12 ASN CB C 12 40.474 40.474 39.029 1.445 18261 3773 1 6 . 1 1 12 12 ASN H H 12 7.282 7.282 7.981 -0.699 18261 3774 1 6 . 1 1 13 13 PRO HA H 13 4.210 4.210 4.266 -0.056 18261 3775 1 6 . 1 1 13 13 PRO CA C 13 65.516 65.516 66.332 -0.816 18261 3776 1 6 . 1 1 13 13 PRO CB C 13 32.418 32.418 31.962 0.456 18261 3777 1 6 . 1 1 14 14 GLY N N 14 108.796 108.796 104.912 3.884 18261 3778 1 6 . 1 1 14 14 GLY C C 14 175.952 175.952 176.552 -0.600 18261 3779 1 6 . 1 1 14 14 GLY CA C 14 47.073 47.073 46.987 0.086 18261 3780 1 6 . 1 1 14 14 GLY H H 14 8.363 8.363 8.664 -0.301 18261 3781 1 6 . 1 1 15 15 LEU N N 15 124.473 124.473 123.009 1.464 18261 3782 1 6 . 1 1 15 15 LEU HA H 15 4.335 4.335 4.156 0.179 18261 3783 1 6 . 1 1 15 15 LEU C C 15 178.564 178.564 178.370 0.194 18261 3784 1 6 . 1 1 15 15 LEU CA C 15 57.402 57.402 56.774 0.628 18261 3785 1 6 . 1 1 15 15 LEU CB C 15 41.600 41.600 41.581 0.019 18261 3786 1 6 . 1 1 15 15 LEU H H 15 7.890 7.890 7.326 0.564 18261 3787 1 6 . 1 1 16 16 ALA N N 16 121.371 121.371 122.359 -0.988 18261 3788 1 6 . 1 1 16 16 ALA HA H 16 4.000 4.000 4.195 -0.195 18261 3789 1 6 . 1 1 16 16 ALA C C 16 179.104 179.104 179.688 -0.584 18261 3790 1 6 . 1 1 16 16 ALA CA C 16 56.360 56.360 55.207 1.153 18261 3791 1 6 . 1 1 16 16 ALA CB C 16 19.351 19.351 18.776 0.575 18261 3792 1 6 . 1 1 16 16 ALA H H 16 8.429 8.429 8.056 0.373 18261 3793 1 6 . 1 1 17 17 GLU N N 17 117.199 117.199 117.708 -0.509 18261 3794 1 6 . 1 1 17 17 GLU HA H 17 3.964 3.964 3.956 0.008 18261 3795 1 6 . 1 1 17 17 GLU C C 17 177.993 177.993 178.951 -0.958 18261 3796 1 6 . 1 1 17 17 GLU CA C 17 59.543 59.543 59.187 0.356 18261 3797 1 6 . 1 1 17 17 GLU CB C 17 29.932 29.932 29.227 0.705 18261 3798 1 6 . 1 1 17 17 GLU H H 17 8.030 8.030 8.568 -0.538 18261 3799 1 6 . 1 1 18 18 ASN N N 18 118.433 118.433 118.691 -0.258 18261 3800 1 6 . 1 1 18 18 ASN HA H 18 4.546 4.546 4.542 0.004 18261 3801 1 6 . 1 1 18 18 ASN C C 18 178.347 178.347 177.457 0.890 18261 3802 1 6 . 1 1 18 18 ASN CA C 18 56.226 56.226 56.512 -0.286 18261 3803 1 6 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.794 -0.670 18261 3804 1 6 . 1 1 18 18 ASN H H 18 8.075 8.075 7.864 0.211 18261 3805 1 6 . 1 1 19 19 PHE N N 19 122.078 122.078 123.891 -1.813 18261 3806 1 6 . 1 1 19 19 PHE HA H 19 3.881 3.881 4.112 -0.231 18261 3807 1 6 . 1 1 19 19 PHE C C 19 176.837 176.837 177.274 -0.437 18261 3808 1 6 . 1 1 19 19 PHE CA C 19 62.230 62.230 61.632 0.598 18261 3809 1 6 . 1 1 19 19 PHE CB C 19 39.450 39.450 39.015 0.435 18261 3810 1 6 . 1 1 19 19 PHE H H 19 9.623 9.623 8.520 1.103 18261 3811 1 6 . 1 1 20 20 MET N N 20 118.264 118.264 116.996 1.268 18261 3812 1 6 . 1 1 20 20 MET HA H 20 4.424 4.424 3.960 0.464 18261 3813 1 6 . 1 1 20 20 MET C C 20 178.924 178.924 178.855 0.069 18261 3814 1 6 . 1 1 20 20 MET CA C 20 57.480 57.480 57.544 -0.064 18261 3815 1 6 . 1 1 20 20 MET CB C 20 31.929 31.929 31.144 0.785 18261 3816 1 6 . 1 1 20 20 MET H H 20 8.865 8.865 8.372 0.493 18261 3817 1 6 . 1 1 21 21 ASN N N 21 118.455 118.455 119.434 -0.979 18261 3818 1 6 . 1 1 21 21 ASN HA H 21 4.542 4.542 4.493 0.049 18261 3819 1 6 . 1 1 21 21 ASN C C 21 178.249 178.249 177.814 0.435 18261 3820 1 6 . 1 1 21 21 ASN CA C 21 56.305 56.305 57.115 -0.810 18261 3821 1 6 . 1 1 21 21 ASN CB C 21 37.916 37.916 38.619 -0.703 18261 3822 1 6 . 1 1 21 21 ASN H H 21 8.453 8.453 8.017 0.436 18261 3823 1 6 . 1 1 22 22 SER N N 22 116.036 116.036 116.486 -0.450 18261 3824 1 6 . 1 1 22 22 SER HA H 22 4.196 4.196 4.151 0.045 18261 3825 1 6 . 1 1 22 22 SER C C 22 178.143 178.143 176.294 1.849 18261 3826 1 6 . 1 1 22 22 SER CA C 22 62.256 62.256 61.780 0.476 18261 3827 1 6 . 1 1 22 22 SER CB C 22 62.870 62.870 63.022 -0.152 18261 3828 1 6 . 1 1 22 22 SER H H 22 7.959 7.959 8.300 -0.341 18261 3829 1 6 . 1 1 23 23 PHE N N 23 124.987 124.987 124.425 0.562 18261 3830 1 6 . 1 1 23 23 PHE HA H 23 4.005 4.005 4.185 -0.180 18261 3831 1 6 . 1 1 23 23 PHE C C 23 175.652 175.652 177.103 -1.451 18261 3832 1 6 . 1 1 23 23 PHE CA C 23 60.525 60.525 61.070 -0.545 18261 3833 1 6 . 1 1 23 23 PHE CB C 23 38.899 38.899 38.854 0.045 18261 3834 1 6 . 1 1 23 23 PHE H H 23 9.045 9.045 8.364 0.681 18261 3835 1 6 . 1 1 24 24 MET N N 24 117.260 117.260 118.658 -1.398 18261 3836 1 6 . 1 1 24 24 MET HA H 24 4.040 4.040 3.804 0.236 18261 3837 1 6 . 1 1 24 24 MET C C 24 179.797 179.797 178.032 1.765 18261 3838 1 6 . 1 1 24 24 MET CA C 24 56.047 56.047 56.909 -0.862 18261 3839 1 6 . 1 1 24 24 MET CB C 24 30.308 30.308 32.153 -1.845 18261 3840 1 6 . 1 1 24 24 MET H H 24 8.302 8.302 8.042 0.260 18261 3841 1 6 . 1 1 25 25 GLN N N 25 120.167 120.167 118.521 1.646 18261 3842 1 6 . 1 1 25 25 GLN HA H 25 3.985 3.985 4.047 -0.062 18261 3843 1 6 . 1 1 25 25 GLN C C 25 179.870 179.870 178.785 1.085 18261 3844 1 6 . 1 1 25 25 GLN CA C 25 59.136 59.136 59.123 0.013 18261 3845 1 6 . 1 1 25 25 GLN CB C 25 28.234 28.234 28.125 0.109 18261 3846 1 6 . 1 1 25 25 GLN H H 25 8.038 8.038 8.398 -0.360 18261 3847 1 6 . 1 1 26 26 GLY N N 26 107.636 107.636 106.790 0.846 18261 3848 1 6 . 1 1 26 26 GLY C C 26 176.387 176.387 176.496 -0.109 18261 3849 1 6 . 1 1 26 26 GLY CA C 26 46.911 46.911 45.901 1.010 18261 3850 1 6 . 1 1 26 26 GLY H H 26 8.095 8.095 7.735 0.360 18261 3851 1 6 . 1 1 27 27 LEU N N 27 122.877 122.877 123.646 -0.769 18261 3852 1 6 . 1 1 27 27 LEU HA H 27 3.783 3.783 4.008 -0.225 18261 3853 1 6 . 1 1 27 27 LEU C C 27 178.564 178.564 178.433 0.131 18261 3854 1 6 . 1 1 27 27 LEU CA C 27 57.262 57.262 56.681 0.581 18261 3855 1 6 . 1 1 27 27 LEU CB C 27 42.076 42.076 41.729 0.347 18261 3856 1 6 . 1 1 27 27 LEU H H 27 8.369 8.369 7.992 0.377 18261 3857 1 6 . 1 1 28 28 SER N N 28 109.474 109.474 114.840 -5.366 18261 3858 1 6 . 1 1 28 28 SER HA H 28 4.138 4.138 4.315 -0.177 18261 3859 1 6 . 1 1 28 28 SER C C 28 174.421 174.421 175.168 -0.747 18261 3860 1 6 . 1 1 28 28 SER CA C 28 61.153 61.153 60.641 0.512 18261 3861 1 6 . 1 1 28 28 SER CB C 28 63.320 63.320 62.595 0.725 18261 3862 1 6 . 1 1 28 28 SER H H 28 7.527 7.527 8.494 -0.967 18261 3863 1 6 . 1 1 29 29 SER N N 29 114.550 114.550 115.701 -1.151 18261 3864 1 6 . 1 1 29 29 SER HA H 29 4.734 4.734 4.564 0.170 18261 3865 1 6 . 1 1 29 29 SER C C 29 173.970 173.970 173.482 0.488 18261 3866 1 6 . 1 1 29 29 SER CA C 29 57.927 57.927 58.610 -0.683 18261 3867 1 6 . 1 1 29 29 SER CB C 29 64.500 64.500 63.981 0.519 18261 3868 1 6 . 1 1 29 29 SER H H 29 7.449 7.449 7.690 -0.241 18261 3869 1 6 . 1 1 30 30 MET N N 30 122.420 122.420 122.143 0.277 18261 3870 1 6 . 1 1 30 30 MET HA H 30 4.952 4.952 4.887 0.065 18261 3871 1 6 . 1 1 30 30 MET C C 30 174.195 174.195 174.386 -0.191 18261 3872 1 6 . 1 1 30 30 MET CA C 30 53.638 53.638 51.625 2.013 18261 3873 1 6 . 1 1 30 30 MET CB C 30 32.305 32.305 31.934 0.371 18261 3874 1 6 . 1 1 30 30 MET H H 30 7.674 7.674 7.725 -0.051 18261 3875 1 6 . 1 1 31 31 PRO HA H 31 4.669 4.669 4.555 0.114 18261 3876 1 6 . 1 1 31 31 PRO CA C 31 62.880 62.880 62.919 -0.039 18261 3877 1 6 . 1 1 31 31 PRO CB C 31 32.742 32.742 32.474 0.268 18261 3878 1 6 . 1 1 32 32 GLY N N 32 106.222 106.222 105.464 0.758 18261 3879 1 6 . 1 1 32 32 GLY C C 32 172.454 172.454 173.399 -0.945 18261 3880 1 6 . 1 1 32 32 GLY CA C 32 45.608 45.608 44.991 0.617 18261 3881 1 6 . 1 1 32 32 GLY H H 32 8.415 8.415 8.597 -0.182 18261 3882 1 6 . 1 1 33 33 PHE N N 33 116.404 116.404 118.209 -1.805 18261 3883 1 6 . 1 1 33 33 PHE HA H 33 5.167 5.167 5.447 -0.280 18261 3884 1 6 . 1 1 33 33 PHE C C 33 176.387 176.387 175.251 1.136 18261 3885 1 6 . 1 1 33 33 PHE CA C 33 56.750 56.750 56.718 0.032 18261 3886 1 6 . 1 1 33 33 PHE CB C 33 42.080 42.080 42.059 0.022 18261 3887 1 6 . 1 1 33 33 PHE H H 33 7.871 7.871 7.518 0.353 18261 3888 1 6 . 1 1 34 34 THR N N 34 113.684 113.684 115.786 -2.102 18261 3889 1 6 . 1 1 34 34 THR HA H 34 4.545 4.545 4.639 -0.094 18261 3890 1 6 . 1 1 34 34 THR C C 34 175.066 175.066 175.689 -0.623 18261 3891 1 6 . 1 1 34 34 THR CA C 34 60.339 60.339 59.111 1.228 18261 3892 1 6 . 1 1 34 34 THR CB C 34 70.381 70.381 71.583 -1.202 18261 3893 1 6 . 1 1 34 34 THR H H 34 8.899 8.899 8.838 0.061 18261 3894 1 6 . 1 1 35 35 ALA N N 35 122.927 122.927 127.683 -4.756 18261 3895 1 6 . 1 1 35 35 ALA HA H 35 4.092 4.092 4.043 0.049 18261 3896 1 6 . 1 1 35 35 ALA C C 35 180.755 180.755 179.430 1.325 18261 3897 1 6 . 1 1 35 35 ALA CA C 35 55.827 55.827 55.407 0.420 18261 3898 1 6 . 1 1 35 35 ALA CB C 35 18.098 18.098 18.805 -0.707 18261 3899 1 6 . 1 1 35 35 ALA H H 35 8.864 8.864 8.793 0.071 18261 3900 1 6 . 1 1 36 36 SER N N 36 112.708 112.708 113.707 -0.999 18261 3901 1 6 . 1 1 36 36 SER HA H 36 4.276 4.276 4.085 0.191 18261 3902 1 6 . 1 1 36 36 SER C C 36 177.033 177.033 176.979 0.054 18261 3903 1 6 . 1 1 36 36 SER CA C 36 61.403 61.403 61.218 0.185 18261 3904 1 6 . 1 1 36 36 SER CB C 36 62.371 62.371 63.058 -0.687 18261 3905 1 6 . 1 1 36 36 SER H H 36 8.389 8.389 8.248 0.141 18261 3906 1 6 . 1 1 37 37 GLN N N 37 121.595 121.595 121.316 0.279 18261 3907 1 6 . 1 1 37 37 GLN HA H 37 4.272 4.272 4.214 0.058 18261 3908 1 6 . 1 1 37 37 GLN C C 37 179.149 179.149 178.353 0.796 18261 3909 1 6 . 1 1 37 37 GLN CA C 37 58.638 58.638 58.453 0.185 18261 3910 1 6 . 1 1 37 37 GLN CB C 37 29.123 29.123 29.051 0.072 18261 3911 1 6 . 1 1 37 37 GLN H H 37 7.621 7.621 7.719 -0.098 18261 3912 1 6 . 1 1 38 38 LEU N N 38 119.852 119.852 120.892 -1.040 18261 3913 1 6 . 1 1 38 38 LEU HA H 38 3.838 3.838 3.821 0.017 18261 3914 1 6 . 1 1 38 38 LEU C C 38 179.675 179.675 179.017 0.658 18261 3915 1 6 . 1 1 38 38 LEU CA C 38 57.929 57.929 58.044 -0.115 18261 3916 1 6 . 1 1 38 38 LEU CB C 38 40.918 40.918 41.585 -0.667 18261 3917 1 6 . 1 1 38 38 LEU H H 38 8.341 8.341 8.270 0.071 18261 3918 1 6 . 1 1 39 39 ASP N N 39 122.065 122.065 119.090 2.975 18261 3919 1 6 . 1 1 39 39 ASP HA H 39 4.439 4.439 4.293 0.146 18261 3920 1 6 . 1 1 39 39 ASP C C 39 179.224 179.224 178.320 0.904 18261 3921 1 6 . 1 1 39 39 ASP CA C 39 57.710 57.710 57.886 -0.176 18261 3922 1 6 . 1 1 39 39 ASP CB C 39 40.245 40.245 40.767 -0.522 18261 3923 1 6 . 1 1 39 39 ASP H H 39 7.955 7.955 8.445 -0.490 18261 3924 1 6 . 1 1 40 40 ASP N N 40 121.957 121.957 119.883 2.074 18261 3925 1 6 . 1 1 40 40 ASP HA H 40 4.483 4.483 4.393 0.090 18261 3926 1 6 . 1 1 40 40 ASP C C 40 179.600 179.600 178.172 1.428 18261 3927 1 6 . 1 1 40 40 ASP CA C 40 57.745 57.745 57.335 0.410 18261 3928 1 6 . 1 1 40 40 ASP CB C 40 40.190 40.190 41.104 -0.914 18261 3929 1 6 . 1 1 40 40 ASP H H 40 8.022 8.022 7.558 0.464 18261 3930 1 6 . 1 1 41 41 MET N N 41 121.160 121.160 119.791 1.369 18261 3931 1 6 . 1 1 41 41 MET HA H 41 4.204 4.204 4.009 0.195 18261 3932 1 6 . 1 1 41 41 MET C C 41 177.693 177.693 178.013 -0.320 18261 3933 1 6 . 1 1 41 41 MET CA C 41 57.634 57.634 59.426 -1.792 18261 3934 1 6 . 1 1 41 41 MET CB C 41 31.422 31.422 32.620 -1.198 18261 3935 1 6 . 1 1 41 41 MET H H 41 8.668 8.668 7.980 0.688 18261 3936 1 6 . 1 1 42 42 SER N N 42 116.421 116.421 114.583 1.838 18261 3937 1 6 . 1 1 42 42 SER HA H 42 4.304 4.304 4.220 0.084 18261 3938 1 6 . 1 1 42 42 SER C C 42 177.483 177.483 176.818 0.665 18261 3939 1 6 . 1 1 42 42 SER CA C 42 62.075 62.075 62.148 -0.073 18261 3940 1 6 . 1 1 42 42 SER CB C 42 62.765 62.765 63.159 -0.394 18261 3941 1 6 . 1 1 42 42 SER H H 42 8.375 8.375 8.431 -0.056 18261 3942 1 6 . 1 1 43 43 THR N N 43 118.797 118.797 119.002 -0.205 18261 3943 1 6 . 1 1 43 43 THR HA H 43 4.042 4.042 4.055 -0.013 18261 3944 1 6 . 1 1 43 43 THR C C 43 177.258 177.258 176.909 0.349 18261 3945 1 6 . 1 1 43 43 THR CA C 43 66.584 66.584 66.576 0.008 18261 3946 1 6 . 1 1 43 43 THR CB C 43 68.490 68.490 68.857 -0.367 18261 3947 1 6 . 1 1 43 43 THR H H 43 7.928 7.928 7.562 0.366 18261 3948 1 6 . 1 1 44 44 ILE N N 44 122.960 122.960 121.098 1.862 18261 3949 1 6 . 1 1 44 44 ILE HA H 44 3.930 3.930 3.809 0.121 18261 3950 1 6 . 1 1 44 44 ILE C C 44 178.564 178.564 177.763 0.801 18261 3951 1 6 . 1 1 44 44 ILE CA C 44 64.483 64.483 62.762 1.721 18261 3952 1 6 . 1 1 44 44 ILE CB C 44 38.015 38.015 36.476 1.539 18261 3953 1 6 . 1 1 44 44 ILE H H 44 7.863 7.863 8.474 -0.611 18261 3954 1 6 . 1 1 45 45 ALA N N 45 124.792 124.792 122.679 2.113 18261 3955 1 6 . 1 1 45 45 ALA HA H 45 4.122 4.122 4.006 0.116 18261 3956 1 6 . 1 1 45 45 ALA C C 45 179.404 179.404 179.816 -0.412 18261 3957 1 6 . 1 1 45 45 ALA CA C 45 56.009 56.009 55.231 0.778 18261 3958 1 6 . 1 1 45 45 ALA CB C 45 18.908 18.908 18.405 0.503 18261 3959 1 6 . 1 1 45 45 ALA H H 45 8.853 8.853 8.443 0.410 18261 3960 1 6 . 1 1 46 46 GLN N N 46 116.307 116.307 116.962 -0.655 18261 3961 1 6 . 1 1 46 46 GLN HA H 46 4.068 4.068 4.046 0.022 18261 3962 1 6 . 1 1 46 46 GLN C C 46 179.014 179.014 178.516 0.498 18261 3963 1 6 . 1 1 46 46 GLN CA C 46 58.903 58.903 58.240 0.663 18261 3964 1 6 . 1 1 46 46 GLN CB C 46 28.250 28.250 27.932 0.318 18261 3965 1 6 . 1 1 46 46 GLN H H 46 8.238 8.238 8.028 0.210 18261 3966 1 6 . 1 1 47 47 SER N N 47 115.959 115.959 115.934 0.025 18261 3967 1 6 . 1 1 47 47 SER HA H 47 4.261 4.261 4.189 0.072 18261 3968 1 6 . 1 1 47 47 SER C C 47 177.483 177.483 176.538 0.945 18261 3969 1 6 . 1 1 47 47 SER CA C 47 61.526 61.526 61.554 -0.028 18261 3970 1 6 . 1 1 47 47 SER CB C 47 62.842 62.842 62.666 0.176 18261 3971 1 6 . 1 1 47 47 SER H H 47 8.223 8.223 7.415 0.808 18261 3972 1 6 . 1 1 48 48 MET N N 48 121.963 121.963 121.299 0.664 18261 3973 1 6 . 1 1 48 48 MET HA H 48 4.110 4.110 3.973 0.137 18261 3974 1 6 . 1 1 48 48 MET C C 48 177.798 177.798 178.377 -0.579 18261 3975 1 6 . 1 1 48 48 MET CA C 48 57.531 57.531 59.456 -1.925 18261 3976 1 6 . 1 1 48 48 MET CB C 48 31.169 31.169 32.527 -1.358 18261 3977 1 6 . 1 1 48 48 MET H H 48 8.245 8.245 7.650 0.595 18261 3978 1 6 . 1 1 49 49 VAL N N 49 119.045 119.045 120.369 -1.324 18261 3979 1 6 . 1 1 49 49 VAL HA H 49 3.300 3.300 3.462 -0.162 18261 3980 1 6 . 1 1 49 49 VAL C C 49 177.910 177.910 178.220 -0.310 18261 3981 1 6 . 1 1 49 49 VAL CA C 49 67.811 67.811 66.921 0.890 18261 3982 1 6 . 1 1 49 49 VAL CB C 49 31.370 31.370 31.344 0.026 18261 3983 1 6 . 1 1 49 49 VAL H H 49 7.809 7.809 7.886 -0.077 18261 3984 1 6 . 1 1 50 50 GLN N N 50 118.357 118.357 118.394 -0.037 18261 3985 1 6 . 1 1 50 50 GLN HA H 50 4.091 4.091 4.008 0.083 18261 3986 1 6 . 1 1 50 50 GLN C C 50 179.449 179.449 178.893 0.556 18261 3987 1 6 . 1 1 50 50 GLN CA C 50 59.056 59.056 58.636 0.420 18261 3988 1 6 . 1 1 50 50 GLN CB C 50 28.020 28.020 27.923 0.097 18261 3989 1 6 . 1 1 50 50 GLN H H 50 8.225 8.225 8.443 -0.218 18261 3990 1 6 . 1 1 51 51 SER N N 51 117.253 117.253 116.616 0.637 18261 3991 1 6 . 1 1 51 51 SER HA H 51 4.235 4.235 4.192 0.043 18261 3992 1 6 . 1 1 51 51 SER C C 51 176.374 176.374 176.828 -0.454 18261 3993 1 6 . 1 1 51 51 SER CA C 51 62.752 62.752 61.993 0.759 18261 3994 1 6 . 1 1 51 51 SER CB C 51 62.963 62.963 62.709 0.254 18261 3995 1 6 . 1 1 51 51 SER H H 51 8.328 8.328 7.993 0.335 18261 3996 1 6 . 1 1 52 52 ILE N N 52 123.114 123.114 122.428 0.686 18261 3997 1 6 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.625 -0.026 18261 3998 1 6 . 1 1 52 52 ILE C C 52 178.684 178.684 177.419 1.265 18261 3999 1 6 . 1 1 52 52 ILE CA C 52 64.736 64.736 65.115 -0.379 18261 4000 1 6 . 1 1 52 52 ILE CB C 52 37.838 37.838 37.389 0.449 18261 4001 1 6 . 1 1 52 52 ILE H H 52 8.147 8.147 8.076 0.071 18261 4002 1 6 . 1 1 53 53 GLN N N 53 120.011 120.011 119.089 0.922 18261 4003 1 6 . 1 1 53 53 GLN HA H 53 3.946 3.946 3.989 -0.043 18261 4004 1 6 . 1 1 53 53 GLN C C 53 179.014 179.014 177.777 1.237 18261 4005 1 6 . 1 1 53 53 GLN CA C 53 59.501 59.501 58.654 0.847 18261 4006 1 6 . 1 1 53 53 GLN CB C 53 27.901 27.901 28.186 -0.285 18261 4007 1 6 . 1 1 53 53 GLN H H 53 8.583 8.583 8.319 0.264 18261 4008 1 6 . 1 1 54 54 SER N N 54 115.479 115.479 113.717 1.762 18261 4009 1 6 . 1 1 54 54 SER HA H 54 4.302 4.302 4.465 -0.163 18261 4010 1 6 . 1 1 54 54 SER C C 54 176.822 176.822 176.115 0.707 18261 4011 1 6 . 1 1 54 54 SER CA C 54 61.492 61.492 60.248 1.244 18261 4012 1 6 . 1 1 54 54 SER CB C 54 62.880 62.880 64.266 -1.386 18261 4013 1 6 . 1 1 54 54 SER H H 54 8.271 8.271 7.623 0.648 18261 4014 1 6 . 1 1 55 55 LEU N N 55 121.519 121.519 123.954 -2.435 18261 4015 1 6 . 1 1 55 55 LEU HA H 55 4.068 4.068 4.013 0.055 18261 4016 1 6 . 1 1 55 55 LEU C C 55 179.434 179.434 177.362 2.072 18261 4017 1 6 . 1 1 55 55 LEU CA C 55 57.793 57.793 58.034 -0.241 18261 4018 1 6 . 1 1 55 55 LEU CB C 55 42.245 42.245 41.818 0.427 18261 4019 1 6 . 1 1 55 55 LEU H H 55 7.974 7.974 7.924 0.050 18261 4020 1 6 . 1 1 56 56 ALA N N 56 121.040 121.040 116.749 4.291 18261 4021 1 6 . 1 1 56 56 ALA HA H 56 4.228 4.228 4.640 -0.412 18261 4022 1 6 . 1 1 56 56 ALA C C 56 180.530 180.530 177.724 2.806 18261 4023 1 6 . 1 1 56 56 ALA CA C 56 54.331 54.331 52.291 2.040 18261 4024 1 6 . 1 1 56 56 ALA CB C 56 18.075 18.075 18.743 -0.668 18261 4025 1 6 . 1 1 56 56 ALA H H 56 8.032 8.032 8.073 -0.041 18261 4026 1 6 . 1 1 57 57 ALA N N 57 121.325 121.325 120.783 0.542 18261 4027 1 6 . 1 1 57 57 ALA HA H 57 4.219 4.219 4.393 -0.174 18261 4028 1 6 . 1 1 57 57 ALA C C 57 179.344 179.344 178.976 0.368 18261 4029 1 6 . 1 1 57 57 ALA CA C 57 54.446 54.446 53.515 0.931 18261 4030 1 6 . 1 1 57 57 ALA CB C 57 18.470 18.470 19.872 -1.402 18261 4031 1 6 . 1 1 57 57 ALA H H 57 8.030 8.030 7.573 0.457 18261 4032 1 6 . 1 1 58 58 GLN N N 58 114.257 114.257 117.267 -3.010 18261 4033 1 6 . 1 1 58 58 GLN HA H 58 4.356 4.356 4.317 0.039 18261 4034 1 6 . 1 1 58 58 GLN C C 58 176.612 176.612 176.700 -0.088 18261 4035 1 6 . 1 1 58 58 GLN CA C 58 55.957 55.957 55.857 0.100 18261 4036 1 6 . 1 1 58 58 GLN CB C 58 29.767 29.767 29.363 0.404 18261 4037 1 6 . 1 1 58 58 GLN H H 58 7.751 7.751 8.320 -0.569 18261 4038 1 6 . 1 1 59 59 GLY N N 59 108.304 108.304 107.454 0.850 18261 4039 1 6 . 1 1 59 59 GLY C C 59 174.856 174.856 174.992 -0.136 18261 4040 1 6 . 1 1 59 59 GLY CA C 59 46.197 46.197 45.598 0.599 18261 4041 1 6 . 1 1 59 59 GLY H H 59 7.910 7.910 7.842 0.068 18261 4042 1 6 . 1 1 60 60 ARG N N 60 118.258 118.258 118.279 -0.021 18261 4043 1 6 . 1 1 60 60 ARG HA H 60 4.553 4.553 4.469 0.084 18261 4044 1 6 . 1 1 60 60 ARG C C 60 175.847 175.847 175.897 -0.050 18261 4045 1 6 . 1 1 60 60 ARG CA C 60 55.658 55.658 55.112 0.546 18261 4046 1 6 . 1 1 60 60 ARG CB C 60 31.714 31.714 30.383 1.331 18261 4047 1 6 . 1 1 60 60 ARG H H 60 8.108 8.108 7.614 0.494 18261 4048 1 6 . 1 1 61 61 THR N N 61 115.924 115.924 118.014 -2.090 18261 4049 1 6 . 1 1 61 61 THR HA H 61 4.785 4.785 4.275 0.510 18261 4050 1 6 . 1 1 61 61 THR C C 61 173.654 173.654 173.902 -0.248 18261 4051 1 6 . 1 1 61 61 THR CA C 61 63.140 63.140 63.634 -0.494 18261 4052 1 6 . 1 1 61 61 THR CB C 61 68.602 68.602 68.763 -0.161 18261 4053 1 6 . 1 1 61 61 THR H H 61 7.970 7.970 8.082 -0.113 18261 4054 1 6 . 1 1 62 62 SER N N 62 119.666 119.666 123.275 -3.609 18261 4055 1 6 . 1 1 62 62 SER HA H 62 4.902 4.902 4.945 -0.043 18261 4056 1 6 . 1 1 62 62 SER C C 62 173.207 173.207 173.440 -0.233 18261 4057 1 6 . 1 1 62 62 SER CA C 62 56.193 56.193 55.171 1.022 18261 4058 1 6 . 1 1 62 62 SER CB C 62 63.781 63.781 63.645 0.136 18261 4059 1 6 . 1 1 62 62 SER H H 62 7.788 7.788 7.996 -0.208 18261 4060 1 6 . 1 1 63 63 PRO HA H 63 4.313 4.313 4.180 0.133 18261 4061 1 6 . 1 1 63 63 PRO CA C 63 65.746 65.746 65.839 -0.093 18261 4062 1 6 . 1 1 63 63 PRO CB C 63 32.147 32.147 31.912 0.235 18261 4063 1 6 . 1 1 64 64 ASN HA H 64 4.550 4.550 4.516 0.034 18261 4064 1 6 . 1 1 64 64 ASN CA C 64 56.202 56.202 56.117 0.085 18261 4065 1 6 . 1 1 64 64 ASN CB C 64 38.000 38.000 37.769 0.231 18261 4066 1 6 . 1 1 65 65 LYS N N 65 120.530 120.530 120.932 -0.402 18261 4067 1 6 . 1 1 65 65 LYS HA H 65 4.197 4.197 4.051 0.146 18261 4068 1 6 . 1 1 65 65 LYS C C 65 178.999 178.999 178.782 0.217 18261 4069 1 6 . 1 1 65 65 LYS CA C 65 58.250 58.250 59.355 -1.105 18261 4070 1 6 . 1 1 65 65 LYS CB C 65 32.498 32.498 32.321 0.177 18261 4071 1 6 . 1 1 65 65 LYS H H 65 7.770 7.770 7.775 -0.005 18261 4072 1 6 . 1 1 66 66 LEU N N 66 118.804 118.804 119.755 -0.951 18261 4073 1 6 . 1 1 66 66 LEU HA H 66 4.070 4.070 4.204 -0.134 18261 4074 1 6 . 1 1 66 66 LEU C C 66 178.928 178.928 179.353 -0.425 18261 4075 1 6 . 1 1 66 66 LEU CA C 66 57.928 57.928 56.840 1.089 18261 4076 1 6 . 1 1 66 66 LEU CB C 66 41.329 41.329 40.595 0.734 18261 4077 1 6 . 1 1 66 66 LEU H H 66 7.932 7.932 7.737 0.195 18261 4078 1 6 . 1 1 67 67 GLN N N 67 119.307 119.307 119.939 -0.632 18261 4079 1 6 . 1 1 67 67 GLN HA H 67 4.224 4.224 3.972 0.252 18261 4080 1 6 . 1 1 67 67 GLN C C 67 178.789 178.789 178.195 0.594 18261 4081 1 6 . 1 1 67 67 GLN CA C 67 58.862 58.862 59.387 -0.525 18261 4082 1 6 . 1 1 67 67 GLN CB C 67 28.052 28.052 28.702 -0.650 18261 4083 1 6 . 1 1 67 67 GLN H H 67 8.160 8.160 8.481 -0.321 18261 4084 1 6 . 1 1 68 68 ALA N N 68 122.124 122.124 122.394 -0.270 18261 4085 1 6 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.112 0.078 18261 4086 1 6 . 1 1 68 68 ALA C C 68 180.320 180.320 179.607 0.713 18261 4087 1 6 . 1 1 68 68 ALA CA C 68 55.282 55.282 55.074 0.208 18261 4088 1 6 . 1 1 68 68 ALA CB C 68 18.251 18.251 18.479 -0.228 18261 4089 1 6 . 1 1 68 68 ALA H H 68 7.844 7.844 8.057 -0.213 18261 4090 1 6 . 1 1 69 69 LEU N N 69 119.481 119.481 118.043 1.438 18261 4091 1 6 . 1 1 69 69 LEU HA H 69 3.912 3.912 3.774 0.138 18261 4092 1 6 . 1 1 69 69 LEU C C 69 178.864 178.864 178.814 0.050 18261 4093 1 6 . 1 1 69 69 LEU CA C 69 57.904 57.904 57.650 0.254 18261 4094 1 6 . 1 1 69 69 LEU CB C 69 41.052 41.052 40.859 0.193 18261 4095 1 6 . 1 1 69 69 LEU H H 69 7.819 7.819 8.391 -0.572 18261 4096 1 6 . 1 1 70 70 ASN N N 70 119.633 119.633 118.882 0.751 18261 4097 1 6 . 1 1 70 70 ASN HA H 70 4.553 4.553 4.775 -0.222 18261 4098 1 6 . 1 1 70 70 ASN C C 70 177.483 177.483 177.498 -0.015 18261 4099 1 6 . 1 1 70 70 ASN CA C 70 57.125 57.125 56.999 0.126 18261 4100 1 6 . 1 1 70 70 ASN CB C 70 38.392 38.392 39.037 -0.645 18261 4101 1 6 . 1 1 70 70 ASN H H 70 8.265 8.265 8.271 -0.006 18261 4102 1 6 . 1 1 71 71 MET N N 71 118.024 118.024 119.530 -1.506 18261 4103 1 6 . 1 1 71 71 MET HA H 71 4.201 4.201 4.281 -0.080 18261 4104 1 6 . 1 1 71 71 MET C C 71 178.279 178.279 178.126 0.153 18261 4105 1 6 . 1 1 71 71 MET CA C 71 59.445 59.445 59.316 0.129 18261 4106 1 6 . 1 1 71 71 MET CB C 71 32.313 32.313 32.668 -0.355 18261 4107 1 6 . 1 1 71 71 MET H H 71 8.098 8.098 7.885 0.213 18261 4108 1 6 . 1 1 72 72 ARG N N 72 121.985 121.985 120.514 1.471 18261 4109 1 6 . 1 1 72 72 ARG HA H 72 3.981 3.981 3.946 0.035 18261 4110 1 6 . 1 1 72 72 ARG C C 72 179.059 179.059 178.683 0.376 18261 4111 1 6 . 1 1 72 72 ARG CA C 72 59.058 59.058 59.688 -0.630 18261 4112 1 6 . 1 1 72 72 ARG CB C 72 30.120 30.120 30.103 0.017 18261 4113 1 6 . 1 1 72 72 ARG H H 72 8.292 8.292 8.487 -0.195 18261 4114 1 6 . 1 1 73 73 PHE N N 73 122.085 122.085 120.334 1.751 18261 4115 1 6 . 1 1 73 73 PHE HA H 73 4.529 4.529 4.223 0.306 18261 4116 1 6 . 1 1 73 73 PHE C C 73 177.258 177.258 177.107 0.151 18261 4117 1 6 . 1 1 73 73 PHE CA C 73 59.248 59.248 60.558 -1.310 18261 4118 1 6 . 1 1 73 73 PHE CB C 73 39.527 39.527 38.762 0.765 18261 4119 1 6 . 1 1 73 73 PHE H H 73 8.703 8.703 8.487 0.216 18261 4120 1 6 . 1 1 74 74 ALA N N 74 119.273 119.273 120.887 -1.614 18261 4121 1 6 . 1 1 74 74 ALA HA H 74 3.764 3.764 3.755 0.009 18261 4122 1 6 . 1 1 74 74 ALA C C 74 179.374 179.374 179.326 0.048 18261 4123 1 6 . 1 1 74 74 ALA CA C 74 55.324 55.324 55.094 0.230 18261 4124 1 6 . 1 1 74 74 ALA CB C 74 20.509 20.509 18.512 1.997 18261 4125 1 6 . 1 1 74 74 ALA H H 74 8.598 8.598 7.817 0.781 18261 4126 1 6 . 1 1 75 75 SER N N 75 113.611 113.611 114.230 -0.619 18261 4127 1 6 . 1 1 75 75 SER HA H 75 3.636 3.636 4.137 -0.501 18261 4128 1 6 . 1 1 75 75 SER CA C 75 61.936 61.936 61.543 0.393 18261 4129 1 6 . 1 1 75 75 SER CB C 75 61.869 61.869 62.712 -0.843 18261 4130 1 6 . 1 1 75 75 SER H H 75 8.780 8.780 8.582 0.198 18261 4131 1 6 . 1 1 76 76 SER N N 76 119.013 119.013 119.953 -0.940 18261 4132 1 6 . 1 1 76 76 SER HA H 76 4.310 4.310 4.515 -0.205 18261 4133 1 6 . 1 1 76 76 SER CA C 76 62.536 62.536 61.756 0.780 18261 4134 1 6 . 1 1 76 76 SER CB C 76 62.943 62.943 63.105 -0.162 18261 4135 1 6 . 1 1 76 76 SER H H 76 8.210 8.210 8.216 -0.006 18261 4136 1 6 . 1 1 77 77 MET N N 77 120.105 120.105 120.863 -0.758 18261 4137 1 6 . 1 1 77 77 MET HA H 77 4.027 4.027 4.111 -0.084 18261 4138 1 6 . 1 1 77 77 MET C C 77 178.354 178.354 177.907 0.447 18261 4139 1 6 . 1 1 77 77 MET CA C 77 59.954 59.954 59.102 0.852 18261 4140 1 6 . 1 1 77 77 MET CB C 77 34.616 34.616 32.452 2.164 18261 4141 1 6 . 1 1 77 77 MET H H 77 8.005 8.005 7.571 0.434 18261 4142 1 6 . 1 1 78 78 ALA N N 78 121.530 121.530 123.028 -1.498 18261 4143 1 6 . 1 1 78 78 ALA HA H 78 3.933 3.933 4.043 -0.110 18261 4144 1 6 . 1 1 78 78 ALA C C 78 178.354 178.354 179.730 -1.376 18261 4145 1 6 . 1 1 78 78 ALA CA C 78 55.427 55.427 55.390 0.037 18261 4146 1 6 . 1 1 78 78 ALA CB C 78 20.344 20.344 17.836 2.508 18261 4147 1 6 . 1 1 78 78 ALA H H 78 8.550 8.550 8.354 0.196 18261 4148 1 6 . 1 1 79 79 GLU N N 79 117.137 117.137 118.346 -1.209 18261 4149 1 6 . 1 1 79 79 GLU HA H 79 3.919 3.919 4.074 -0.155 18261 4150 1 6 . 1 1 79 79 GLU C C 79 178.894 178.894 178.905 -0.011 18261 4151 1 6 . 1 1 79 79 GLU CA C 79 59.445 59.445 59.138 0.307 18261 4152 1 6 . 1 1 79 79 GLU CB C 79 29.895 29.895 29.670 0.225 18261 4153 1 6 . 1 1 79 79 GLU H H 79 7.737 7.737 8.035 -0.298 18261 4154 1 6 . 1 1 80 80 ILE N N 80 118.063 118.063 119.058 -0.995 18261 4155 1 6 . 1 1 80 80 ILE HA H 80 3.932 3.932 3.978 -0.046 18261 4156 1 6 . 1 1 80 80 ILE C C 80 179.014 179.014 177.983 1.031 18261 4157 1 6 . 1 1 80 80 ILE CA C 80 63.727 63.727 64.181 -0.454 18261 4158 1 6 . 1 1 80 80 ILE CB C 80 38.208 38.208 38.316 -0.108 18261 4159 1 6 . 1 1 80 80 ILE H H 80 7.239 7.239 7.340 -0.101 18261 4160 1 6 . 1 1 81 81 ALA N N 81 121.494 121.494 122.208 -0.714 18261 4161 1 6 . 1 1 81 81 ALA HA H 81 3.961 3.961 4.269 -0.308 18261 4162 1 6 . 1 1 81 81 ALA C C 81 177.258 177.258 178.052 -0.794 18261 4163 1 6 . 1 1 81 81 ALA CA C 81 54.668 54.668 54.189 0.479 18261 4164 1 6 . 1 1 81 81 ALA CB C 81 17.887 17.887 18.462 -0.575 18261 4165 1 6 . 1 1 81 81 ALA H H 81 8.495 8.495 8.609 -0.114 18261 4166 1 6 . 1 1 82 82 ALA N N 82 116.416 116.416 117.751 -1.335 18261 4167 1 6 . 1 1 82 82 ALA HA H 82 4.316 4.316 4.244 0.072 18261 4168 1 6 . 1 1 82 82 ALA C C 82 177.693 177.693 177.007 0.686 18261 4169 1 6 . 1 1 82 82 ALA CA C 82 52.630 52.630 52.039 0.591 18261 4170 1 6 . 1 1 82 82 ALA CB C 82 19.224 19.224 18.743 0.481 18261 4171 1 6 . 1 1 82 82 ALA H H 82 8.034 8.034 7.595 0.439 18261 4172 1 6 . 1 1 83 83 SER N N 83 112.672 112.672 114.737 -2.065 18261 4173 1 6 . 1 1 83 83 SER HA H 83 4.299 4.299 4.501 -0.202 18261 4174 1 6 . 1 1 83 83 SER C C 83 174.856 174.856 174.197 0.659 18261 4175 1 6 . 1 1 83 83 SER CA C 83 59.329 59.329 57.968 1.361 18261 4176 1 6 . 1 1 83 83 SER CB C 83 63.943 63.943 63.116 0.827 18261 4177 1 6 . 1 1 83 83 SER H H 83 7.437 7.437 7.630 -0.193 18261 4178 1 6 . 1 1 84 84 GLU N N 84 122.890 122.890 126.476 -3.586 18261 4179 1 6 . 1 1 84 84 GLU HA H 84 4.420 4.420 4.395 0.025 18261 4180 1 6 . 1 1 84 84 GLU C C 84 176.597 176.597 176.639 -0.042 18261 4181 1 6 . 1 1 84 84 GLU CA C 84 56.586 56.586 56.214 0.372 18261 4182 1 6 . 1 1 84 84 GLU CB C 84 30.648 30.648 29.488 1.160 18261 4183 1 6 . 1 1 84 84 GLU H H 84 8.245 8.245 8.414 -0.169 18261 4184 1 6 . 1 1 85 85 GLU N N 85 122.062 122.062 120.458 1.604 18261 4185 1 6 . 1 1 85 85 GLU HA H 85 4.285 4.285 4.240 0.045 18261 4186 1 6 . 1 1 85 85 GLU C C 85 177.258 177.258 178.384 -1.126 18261 4187 1 6 . 1 1 85 85 GLU CA C 85 57.128 57.128 57.806 -0.678 18261 4188 1 6 . 1 1 85 85 GLU CB C 85 30.121 30.121 29.036 1.085 18261 4189 1 6 . 1 1 85 85 GLU H H 85 8.477 8.477 8.000 0.477 18261 4190 1 6 . 1 1 86 86 GLY N N 86 110.431 110.431 108.374 2.057 18261 4191 1 6 . 1 1 86 86 GLY C C 86 174.856 174.856 173.864 0.992 18261 4192 1 6 . 1 1 86 86 GLY CA C 86 45.654 45.654 44.590 1.064 18261 4193 1 6 . 1 1 86 86 GLY H H 86 8.563 8.563 8.404 0.159 18261 4194 1 6 . 1 1 87 87 GLY N N 87 108.508 108.508 109.242 -0.734 18261 4195 1 6 . 1 1 87 87 GLY C C 87 174.436 174.436 174.306 0.130 18261 4196 1 6 . 1 1 87 87 GLY CA C 87 45.396 45.396 44.416 0.980 18261 4197 1 6 . 1 1 87 87 GLY H H 87 8.274 8.274 7.541 0.733 18261 4198 1 6 . 1 1 88 88 GLY N N 88 107.821 107.821 109.667 -1.846 18261 4199 1 6 . 1 1 88 88 GLY C C 88 173.325 173.325 173.670 -0.345 18261 4200 1 6 . 1 1 88 88 GLY CA C 88 44.814 44.814 44.528 0.286 18261 4201 1 6 . 1 1 88 88 GLY H H 88 8.105 8.105 8.383 -0.278 18261 4202 1 6 . 1 1 89 89 SER N N 89 115.747 115.747 121.294 -5.547 18261 4203 1 6 . 1 1 89 89 SER HA H 89 4.582 4.582 4.359 0.223 18261 4204 1 6 . 1 1 89 89 SER C C 89 175.066 175.066 173.275 1.791 18261 4205 1 6 . 1 1 89 89 SER CA C 89 57.256 57.256 58.711 -1.455 18261 4206 1 6 . 1 1 89 89 SER CB C 89 65.130 65.130 63.654 1.476 18261 4207 1 6 . 1 1 89 89 SER H H 89 8.476 8.476 9.108 -0.632 18261 4208 1 6 . 1 1 90 90 LEU N N 90 124.735 124.735 128.427 -3.692 18261 4209 1 6 . 1 1 90 90 LEU HA H 90 4.106 4.106 4.156 -0.050 18261 4210 1 6 . 1 1 90 90 LEU C C 90 179.434 179.434 177.286 2.148 18261 4211 1 6 . 1 1 90 90 LEU CA C 90 58.434 58.434 56.767 1.667 18261 4212 1 6 . 1 1 90 90 LEU CB C 90 41.377 41.377 42.330 -0.953 18261 4213 1 6 . 1 1 90 90 LEU H H 90 8.860 8.860 8.168 0.692 18261 4214 1 6 . 1 1 91 91 SER N N 91 113.851 113.851 114.249 -0.398 18261 4215 1 6 . 1 1 91 91 SER C C 91 177.325 177.325 176.465 0.860 18261 4216 1 6 . 1 1 91 91 SER CA C 91 61.261 61.261 62.375 -1.114 18261 4217 1 6 . 1 1 91 91 SER CB C 91 62.010 62.010 62.258 -0.249 18261 4218 1 6 . 1 1 91 91 SER H H 91 8.537 8.537 8.686 -0.149 18261 4219 1 6 . 1 1 92 92 THR N N 92 120.889 120.889 118.406 2.483 18261 4220 1 6 . 1 1 92 92 THR HA H 92 3.993 3.993 4.076 -0.083 18261 4221 1 6 . 1 1 92 92 THR C C 92 176.162 176.162 176.314 -0.152 18261 4222 1 6 . 1 1 92 92 THR CA C 92 66.467 66.467 66.354 0.113 18261 4223 1 6 . 1 1 92 92 THR CB C 92 68.285 68.285 68.657 -0.372 18261 4224 1 6 . 1 1 92 92 THR H H 92 7.795 7.795 7.481 0.314 18261 4225 1 6 . 1 1 93 93 LYS N N 93 120.210 120.210 122.428 -2.218 18261 4226 1 6 . 1 1 93 93 LYS HA H 93 3.798 3.798 3.606 0.192 18261 4227 1 6 . 1 1 93 93 LYS CA C 93 61.044 61.044 60.101 0.943 18261 4228 1 6 . 1 1 93 93 LYS CB C 93 33.470 33.470 31.927 1.543 18261 4229 1 6 . 1 1 93 93 LYS H H 93 8.098 8.098 7.455 0.643 18261 4230 1 6 . 1 1 94 94 THR N N 94 111.485 111.485 111.529 -0.044 18261 4231 1 6 . 1 1 94 94 THR HA H 94 3.936 3.936 4.242 -0.306 18261 4232 1 6 . 1 1 94 94 THR C C 94 177.033 177.033 176.356 0.677 18261 4233 1 6 . 1 1 94 94 THR CA C 94 66.974 66.974 64.251 2.723 18261 4234 1 6 . 1 1 94 94 THR CB C 94 68.013 68.013 68.601 -0.588 18261 4235 1 6 . 1 1 94 94 THR H H 94 8.891 8.891 8.165 0.726 18261 4236 1 6 . 1 1 95 95 SER N N 95 118.938 118.938 117.217 1.721 18261 4237 1 6 . 1 1 95 95 SER HA H 95 4.394 4.394 4.558 -0.164 18261 4238 1 6 . 1 1 95 95 SER C C 95 177.828 177.828 175.758 2.070 18261 4239 1 6 . 1 1 95 95 SER CA C 95 61.990 61.990 61.347 0.643 18261 4240 1 6 . 1 1 95 95 SER CB C 95 62.580 62.580 64.187 -1.607 18261 4241 1 6 . 1 1 95 95 SER H H 95 8.118 8.118 7.673 0.445 18261 4242 1 6 . 1 1 96 96 SER N N 96 121.520 121.520 119.975 1.545 18261 4243 1 6 . 1 1 96 96 SER HA H 96 4.457 4.457 4.165 0.292 18261 4244 1 6 . 1 1 96 96 SER CA C 96 62.695 62.695 62.159 0.536 18261 4245 1 6 . 1 1 96 96 SER CB C 96 62.796 62.796 63.308 -0.512 18261 4246 1 6 . 1 1 96 96 SER H H 96 8.603 8.603 8.449 0.154 18261 4247 1 6 . 1 1 97 97 ILE N N 97 122.420 122.420 121.230 1.190 18261 4248 1 6 . 1 1 97 97 ILE HA H 97 3.792 3.792 3.767 0.025 18261 4249 1 6 . 1 1 97 97 ILE C C 97 177.693 177.693 177.888 -0.195 18261 4250 1 6 . 1 1 97 97 ILE CA C 97 66.722 66.722 65.602 1.120 18261 4251 1 6 . 1 1 97 97 ILE CB C 97 38.645 38.645 37.897 0.748 18261 4252 1 6 . 1 1 97 97 ILE H H 97 8.516 8.516 7.899 0.617 18261 4253 1 6 . 1 1 98 98 ALA N N 98 122.031 122.031 122.442 -0.411 18261 4254 1 6 . 1 1 98 98 ALA HA H 98 4.063 4.063 4.261 -0.198 18261 4255 1 6 . 1 1 98 98 ALA C C 98 180.740 180.740 180.044 0.696 18261 4256 1 6 . 1 1 98 98 ALA CA C 98 56.158 56.158 55.096 1.062 18261 4257 1 6 . 1 1 98 98 ALA CB C 98 18.347 18.347 18.308 0.039 18261 4258 1 6 . 1 1 98 98 ALA H H 98 8.437 8.437 7.814 0.623 18261 4259 1 6 . 1 1 99 99 SER N N 99 115.676 115.676 114.634 1.042 18261 4260 1 6 . 1 1 99 99 SER HA H 99 4.369 4.369 4.256 0.113 18261 4261 1 6 . 1 1 99 99 SER C C 99 177.168 177.168 176.730 0.438 18261 4262 1 6 . 1 1 99 99 SER CA C 99 61.959 61.959 61.564 0.395 18261 4263 1 6 . 1 1 99 99 SER CB C 99 63.160 63.160 62.627 0.533 18261 4264 1 6 . 1 1 99 99 SER H H 99 8.611 8.611 7.854 0.757 18261 4265 1 6 . 1 1 100 100 ALA N N 100 124.275 124.275 124.353 -0.078 18261 4266 1 6 . 1 1 100 100 ALA HA H 100 4.243 4.243 4.051 0.192 18261 4267 1 6 . 1 1 100 100 ALA C C 100 181.851 181.851 179.350 2.501 18261 4268 1 6 . 1 1 100 100 ALA CA C 100 55.321 55.321 54.682 0.639 18261 4269 1 6 . 1 1 100 100 ALA CB C 100 18.479 18.479 18.032 0.448 18261 4270 1 6 . 1 1 100 100 ALA H H 100 8.973 8.973 7.695 1.278 18261 4271 1 6 . 1 1 101 101 MET N N 101 118.986 118.986 119.020 -0.034 18261 4272 1 6 . 1 1 101 101 MET HA H 101 4.063 4.063 4.228 -0.165 18261 4273 1 6 . 1 1 101 101 MET C C 101 177.483 177.483 178.690 -1.207 18261 4274 1 6 . 1 1 101 101 MET CA C 101 60.999 60.999 60.085 0.914 18261 4275 1 6 . 1 1 101 101 MET CB C 101 34.583 34.583 33.009 1.574 18261 4276 1 6 . 1 1 101 101 MET H H 101 9.072 9.072 8.557 0.515 18261 4277 1 6 . 1 1 102 102 SER N N 102 116.650 116.650 114.742 1.908 18261 4278 1 6 . 1 1 102 102 SER HA H 102 4.370 4.370 4.385 -0.015 18261 4279 1 6 . 1 1 102 102 SER C C 102 176.357 176.357 176.993 -0.636 18261 4280 1 6 . 1 1 102 102 SER CA C 102 63.278 63.278 61.715 1.563 18261 4281 1 6 . 1 1 102 102 SER CB C 102 62.523 62.523 62.962 -0.439 18261 4282 1 6 . 1 1 102 102 SER H H 102 8.673 8.673 8.372 0.301 18261 4283 1 6 . 1 1 103 103 ASN N N 103 118.060 118.060 120.513 -2.453 18261 4284 1 6 . 1 1 103 103 ASN HA H 103 4.477 4.477 4.486 -0.009 18261 4285 1 6 . 1 1 103 103 ASN C C 103 176.603 176.603 177.485 -0.882 18261 4286 1 6 . 1 1 103 103 ASN CA C 103 56.564 56.564 56.088 0.476 18261 4287 1 6 . 1 1 103 103 ASN CB C 103 38.362 38.362 38.322 0.040 18261 4288 1 6 . 1 1 103 103 ASN H H 103 8.098 8.098 7.963 0.135 18261 4289 1 6 . 1 1 104 104 ALA N N 104 122.235 122.235 121.717 0.518 18261 4290 1 6 . 1 1 104 104 ALA HA H 104 4.255 4.255 4.000 0.255 18261 4291 1 6 . 1 1 104 104 ALA C C 104 181.701 181.701 179.957 1.744 18261 4292 1 6 . 1 1 104 104 ALA CA C 104 54.815 54.815 54.846 -0.031 18261 4293 1 6 . 1 1 104 104 ALA CB C 104 18.177 18.177 18.079 0.098 18261 4294 1 6 . 1 1 104 104 ALA H H 104 7.919 7.919 7.971 -0.052 18261 4295 1 6 . 1 1 105 105 PHE N N 105 119.159 119.159 118.093 1.066 18261 4296 1 6 . 1 1 105 105 PHE HA H 105 4.401 4.401 4.482 -0.081 18261 4297 1 6 . 1 1 105 105 PHE C C 105 179.224 179.224 177.890 1.334 18261 4298 1 6 . 1 1 105 105 PHE CA C 105 63.744 63.744 61.724 2.020 18261 4299 1 6 . 1 1 105 105 PHE CB C 105 39.417 39.417 39.187 0.230 18261 4300 1 6 . 1 1 105 105 PHE H H 105 8.615 8.615 8.110 0.505 18261 4301 1 6 . 1 1 106 106 LEU N N 106 121.765 121.765 118.105 3.660 18261 4302 1 6 . 1 1 106 106 LEU HA H 106 3.741 3.741 4.182 -0.441 18261 4303 1 6 . 1 1 106 106 LEU C C 106 179.074 179.074 179.124 -0.050 18261 4304 1 6 . 1 1 106 106 LEU CA C 106 59.086 59.086 57.568 1.518 18261 4305 1 6 . 1 1 106 106 LEU CB C 106 41.265 41.265 41.498 -0.233 18261 4306 1 6 . 1 1 106 106 LEU H H 106 8.259 8.259 7.357 0.902 18261 4307 1 6 . 1 1 107 107 GLN N N 107 114.755 114.755 116.872 -2.117 18261 4308 1 6 . 1 1 107 107 GLN HA H 107 4.189 4.189 4.372 -0.183 18261 4309 1 6 . 1 1 107 107 GLN C C 107 176.822 176.822 177.240 -0.418 18261 4310 1 6 . 1 1 107 107 GLN CA C 107 57.461 57.461 57.709 -0.248 18261 4311 1 6 . 1 1 107 107 GLN CB C 107 29.393 29.393 28.570 0.823 18261 4312 1 6 . 1 1 107 107 GLN H H 107 8.176 8.176 7.977 0.199 18261 4313 1 6 . 1 1 108 108 THR N N 108 108.074 108.074 112.910 -4.836 18261 4314 1 6 . 1 1 108 108 THR HA H 108 4.517 4.517 4.362 0.155 18261 4315 1 6 . 1 1 108 108 THR C C 108 175.952 175.952 175.794 0.158 18261 4316 1 6 . 1 1 108 108 THR CA C 108 62.526 62.526 64.405 -1.879 18261 4317 1 6 . 1 1 108 108 THR CB C 108 70.320 70.320 69.105 1.215 18261 4318 1 6 . 1 1 108 108 THR H H 108 7.740 7.740 7.623 0.117 18261 4319 1 6 . 1 1 109 109 THR N N 109 113.029 113.029 113.100 -0.071 18261 4320 1 6 . 1 1 109 109 THR HA H 109 4.620 4.620 4.499 0.121 18261 4321 1 6 . 1 1 109 109 THR C C 109 176.162 176.162 176.061 0.101 18261 4322 1 6 . 1 1 109 109 THR CA C 109 62.255 62.255 62.084 0.171 18261 4323 1 6 . 1 1 109 109 THR CB C 109 70.768 70.768 70.153 0.615 18261 4324 1 6 . 1 1 109 109 THR H H 109 8.869 8.869 7.779 1.090 18261 4325 1 6 . 1 1 110 110 GLY N N 110 109.433 109.433 110.207 -0.774 18261 4326 1 6 . 1 1 110 110 GLY C C 110 172.889 172.889 173.545 -0.656 18261 4327 1 6 . 1 1 110 110 GLY CA C 110 45.555 45.555 45.260 0.296 18261 4328 1 6 . 1 1 110 110 GLY H H 110 8.298 8.298 8.517 -0.219 18261 4329 1 6 . 1 1 111 111 VAL N N 111 119.167 119.167 120.776 -1.609 18261 4330 1 6 . 1 1 111 111 VAL HA H 111 4.266 4.266 4.247 0.019 18261 4331 1 6 . 1 1 111 111 VAL C C 111 174.421 174.421 174.968 -0.547 18261 4332 1 6 . 1 1 111 111 VAL CA C 111 60.783 60.783 61.072 -0.289 18261 4333 1 6 . 1 1 111 111 VAL CB C 111 35.394 35.394 34.280 1.114 18261 4334 1 6 . 1 1 111 111 VAL H H 111 7.786 7.786 7.238 0.548 18261 4335 1 6 . 1 1 112 112 VAL N N 112 124.920 124.920 124.614 0.306 18261 4336 1 6 . 1 1 112 112 VAL HA H 112 3.251 3.251 3.874 -0.623 18261 4337 1 6 . 1 1 112 112 VAL C C 112 174.646 174.646 174.572 0.074 18261 4338 1 6 . 1 1 112 112 VAL CA C 112 64.409 64.409 61.271 3.138 18261 4339 1 6 . 1 1 112 112 VAL CB C 112 32.626 32.626 33.099 -0.473 18261 4340 1 6 . 1 1 112 112 VAL H H 112 8.721 8.721 8.142 0.579 18261 4341 1 6 . 1 1 113 113 ASN HA H 113 4.505 4.505 4.682 -0.177 18261 4342 1 6 . 1 1 113 113 ASN CA C 113 50.080 50.080 51.352 -1.272 18261 4343 1 6 . 1 1 113 113 ASN CB C 113 36.910 36.910 38.953 -2.043 18261 4344 1 6 . 1 1 114 114 GLN N N 114 123.939 123.939 126.992 -3.053 18261 4345 1 6 . 1 1 114 114 GLN HA H 114 3.944 3.944 4.184 -0.240 18261 4346 1 6 . 1 1 114 114 GLN C C 114 174.811 174.811 175.313 -0.502 18261 4347 1 6 . 1 1 114 114 GLN CA C 114 59.348 59.348 59.662 -0.314 18261 4348 1 6 . 1 1 114 114 GLN CB C 114 26.505 26.505 27.299 -0.794 18261 4349 1 6 . 1 1 114 114 GLN H H 114 8.368 8.368 8.703 -0.335 18261 4350 1 6 . 1 1 115 115 PRO HA H 115 4.243 4.243 4.178 0.065 18261 4351 1 6 . 1 1 115 115 PRO CA C 115 66.602 66.602 65.701 0.901 18261 4352 1 6 . 1 1 115 115 PRO CB C 115 31.215 31.215 31.147 0.068 18261 4353 1 6 . 1 1 116 116 PHE N N 116 117.612 117.612 114.963 2.649 18261 4354 1 6 . 1 1 116 116 PHE HA H 116 4.209 4.209 4.728 -0.519 18261 4355 1 6 . 1 1 116 116 PHE C C 116 176.597 176.597 178.217 -1.620 18261 4356 1 6 . 1 1 116 116 PHE CA C 116 61.261 61.261 60.694 0.568 18261 4357 1 6 . 1 1 116 116 PHE CB C 116 39.506 39.506 39.042 0.464 18261 4358 1 6 . 1 1 116 116 PHE H H 116 7.249 7.249 7.650 -0.401 18261 4359 1 6 . 1 1 117 117 ILE N N 117 119.233 119.233 120.866 -1.633 18261 4360 1 6 . 1 1 117 117 ILE HA H 117 3.537 3.537 3.887 -0.350 18261 4361 1 6 . 1 1 117 117 ILE C C 117 178.789 178.789 177.871 0.918 18261 4362 1 6 . 1 1 117 117 ILE CA C 117 65.677 65.677 64.751 0.926 18261 4363 1 6 . 1 1 117 117 ILE CB C 117 38.125 38.125 37.614 0.511 18261 4364 1 6 . 1 1 117 117 ILE H H 117 7.652 7.652 8.294 -0.642 18261 4365 1 6 . 1 1 118 118 ASN N N 118 119.875 119.875 119.930 -0.055 18261 4366 1 6 . 1 1 118 118 ASN HA H 118 4.304 4.304 4.530 -0.226 18261 4367 1 6 . 1 1 118 118 ASN C C 118 177.033 177.033 177.847 -0.814 18261 4368 1 6 . 1 1 118 118 ASN CA C 118 55.716 55.716 56.290 -0.574 18261 4369 1 6 . 1 1 118 118 ASN CB C 118 37.423 37.423 37.844 -0.421 18261 4370 1 6 . 1 1 118 118 ASN H H 118 8.975 8.975 8.044 0.931 18261 4371 1 6 . 1 1 119 119 GLU N N 119 121.029 121.029 120.681 0.348 18261 4372 1 6 . 1 1 119 119 GLU HA H 119 4.026 4.026 4.045 -0.019 18261 4373 1 6 . 1 1 119 119 GLU C C 119 178.564 178.564 179.037 -0.473 18261 4374 1 6 . 1 1 119 119 GLU CA C 119 59.426 59.426 59.211 0.215 18261 4375 1 6 . 1 1 119 119 GLU CB C 119 29.646 29.646 29.708 -0.062 18261 4376 1 6 . 1 1 119 119 GLU H H 119 8.120 8.120 7.673 0.447 18261 4377 1 6 . 1 1 120 120 ILE N N 120 117.654 117.654 119.588 -1.934 18261 4378 1 6 . 1 1 120 120 ILE HA H 120 3.734 3.734 3.861 -0.127 18261 4379 1 6 . 1 1 120 120 ILE C C 120 178.279 178.279 178.121 0.158 18261 4380 1 6 . 1 1 120 120 ILE CA C 120 62.756 62.756 65.366 -2.610 18261 4381 1 6 . 1 1 120 120 ILE CB C 120 35.645 35.645 37.887 -2.242 18261 4382 1 6 . 1 1 120 120 ILE H H 120 8.077 8.077 7.729 0.348 18261 4383 1 6 . 1 1 121 121 THR N N 121 112.585 112.585 115.311 -2.726 18261 4384 1 6 . 1 1 121 121 THR HA H 121 3.753 3.753 4.012 -0.259 18261 4385 1 6 . 1 1 121 121 THR C C 121 177.258 177.258 177.162 0.096 18261 4386 1 6 . 1 1 121 121 THR CA C 121 67.090 67.090 66.371 0.718 18261 4387 1 6 . 1 1 121 121 THR CB C 121 68.254 68.254 68.165 0.089 18261 4388 1 6 . 1 1 121 121 THR H H 121 8.640 8.640 8.002 0.638 18261 4389 1 6 . 1 1 122 122 GLN N N 122 123.063 123.063 121.461 1.602 18261 4390 1 6 . 1 1 122 122 GLN HA H 122 4.091 4.091 4.089 0.002 18261 4391 1 6 . 1 1 122 122 GLN C C 122 179.014 179.014 178.841 0.173 18261 4392 1 6 . 1 1 122 122 GLN CA C 122 59.192 59.192 58.769 0.423 18261 4393 1 6 . 1 1 122 122 GLN CB C 122 28.020 28.020 28.523 -0.503 18261 4394 1 6 . 1 1 122 122 GLN H H 122 8.111 8.111 7.626 0.485 18261 4395 1 6 . 1 1 123 123 LEU N N 123 120.494 120.494 120.011 0.483 18261 4396 1 6 . 1 1 123 123 LEU HA H 123 3.841 3.841 3.972 -0.131 18261 4397 1 6 . 1 1 123 123 LEU C C 123 178.354 178.354 179.196 -0.842 18261 4398 1 6 . 1 1 123 123 LEU CA C 123 58.005 58.005 57.664 0.341 18261 4399 1 6 . 1 1 123 123 LEU CB C 123 42.580 42.580 41.836 0.744 18261 4400 1 6 . 1 1 123 123 LEU H H 123 8.131 8.131 7.933 0.198 18261 4401 1 6 . 1 1 124 124 VAL N N 124 118.543 118.543 121.816 -3.273 18261 4402 1 6 . 1 1 124 124 VAL HA H 124 3.560 3.560 3.647 -0.087 18261 4403 1 6 . 1 1 124 124 VAL C C 124 177.453 177.453 178.615 -1.162 18261 4404 1 6 . 1 1 124 124 VAL CA C 124 67.297 67.297 67.077 0.220 18261 4405 1 6 . 1 1 124 124 VAL CB C 124 31.526 31.526 31.619 -0.093 18261 4406 1 6 . 1 1 124 124 VAL H H 124 8.732 8.732 8.817 -0.085 18261 4407 1 6 . 1 1 125 125 SER N N 125 112.449 112.449 113.904 -1.455 18261 4408 1 6 . 1 1 125 125 SER HA H 125 4.044 4.044 4.191 -0.147 18261 4409 1 6 . 1 1 125 125 SER C C 125 175.937 175.937 176.407 -0.470 18261 4410 1 6 . 1 1 125 125 SER CA C 125 62.356 62.356 61.790 0.566 18261 4411 1 6 . 1 1 125 125 SER CB C 125 62.890 62.890 62.846 0.044 18261 4412 1 6 . 1 1 125 125 SER H H 125 7.863 7.863 7.960 -0.097 18261 4413 1 6 . 1 1 126 126 MET N N 126 120.797 120.797 121.039 -0.242 18261 4414 1 6 . 1 1 126 126 MET HA H 126 4.051 4.051 4.195 -0.144 18261 4415 1 6 . 1 1 126 126 MET C C 126 179.254 179.254 177.636 1.618 18261 4416 1 6 . 1 1 126 126 MET CA C 126 58.939 58.939 58.734 0.205 18261 4417 1 6 . 1 1 126 126 MET CB C 126 32.625 32.625 32.669 -0.044 18261 4418 1 6 . 1 1 126 126 MET H H 126 8.033 8.033 7.570 0.463 18261 4419 1 6 . 1 1 127 127 PHE N N 127 118.244 118.244 117.890 0.354 18261 4420 1 6 . 1 1 127 127 PHE HA H 127 4.398 4.398 4.254 0.144 18261 4421 1 6 . 1 1 127 127 PHE C C 127 178.128 178.128 177.460 0.668 18261 4422 1 6 . 1 1 127 127 PHE CA C 127 59.991 59.991 60.521 -0.530 18261 4423 1 6 . 1 1 127 127 PHE CB C 127 38.584 38.584 38.338 0.246 18261 4424 1 6 . 1 1 127 127 PHE H H 127 8.753 8.753 8.511 0.242 18261 4425 1 6 . 1 1 128 128 ALA N N 128 120.518 120.518 121.210 -0.692 18261 4426 1 6 . 1 1 128 128 ALA HA H 128 4.152 4.152 4.280 -0.128 18261 4427 1 6 . 1 1 128 128 ALA C C 128 178.789 178.789 179.536 -0.747 18261 4428 1 6 . 1 1 128 128 ALA CA C 128 54.570 54.570 54.831 -0.261 18261 4429 1 6 . 1 1 128 128 ALA CB C 128 19.373 19.373 18.547 0.826 18261 4430 1 6 . 1 1 128 128 ALA H H 128 8.681 8.681 8.326 0.355 18261 4431 1 6 . 1 1 129 129 GLN N N 129 115.315 115.315 117.568 -2.253 18261 4432 1 6 . 1 1 129 129 GLN HA H 129 4.197 4.197 4.083 0.114 18261 4433 1 6 . 1 1 129 129 GLN C C 129 177.258 177.258 178.175 -0.917 18261 4434 1 6 . 1 1 129 129 GLN CA C 129 57.519 57.519 58.211 -0.691 18261 4435 1 6 . 1 1 129 129 GLN CB C 129 29.271 29.271 28.320 0.951 18261 4436 1 6 . 1 1 129 129 GLN H H 129 7.835 7.835 7.883 -0.048 18261 4437 1 6 . 1 1 130 130 ALA N N 130 121.556 121.556 119.724 1.832 18261 4438 1 6 . 1 1 130 130 ALA HA H 130 4.285 4.285 4.316 -0.031 18261 4439 1 6 . 1 1 130 130 ALA C C 130 178.564 178.564 177.948 0.616 18261 4440 1 6 . 1 1 130 130 ALA CA C 130 53.823 53.823 53.074 0.749 18261 4441 1 6 . 1 1 130 130 ALA CB C 130 19.058 19.058 18.627 0.431 18261 4442 1 6 . 1 1 130 130 ALA H H 130 7.758 7.758 7.482 0.276 18261 4443 1 6 . 1 1 131 131 GLY N N 131 105.780 105.780 105.463 0.317 18261 4444 1 6 . 1 1 131 131 GLY C C 131 173.970 173.970 175.503 -1.533 18261 4445 1 6 . 1 1 131 131 GLY CA C 131 45.702 45.702 45.592 0.110 18261 4446 1 6 . 1 1 131 131 GLY H H 131 8.222 8.222 7.796 0.426 18261 4447 1 6 . 1 1 132 132 MET N N 132 118.358 118.358 119.534 -1.176 18261 4448 1 6 . 1 1 132 132 MET HA H 132 4.540 4.540 4.287 0.253 18261 4449 1 6 . 1 1 132 132 MET C C 132 175.952 175.952 176.383 -0.431 18261 4450 1 6 . 1 1 132 132 MET CA C 132 55.611 55.611 58.178 -2.567 18261 4451 1 6 . 1 1 132 132 MET CB C 132 33.473 33.473 33.545 -0.073 18261 4452 1 6 . 1 1 132 132 MET H H 132 7.763 7.763 7.485 0.278 18261 4453 1 6 . 1 1 133 133 ASN N N 133 119.002 119.002 118.206 0.796 18261 4454 1 6 . 1 1 133 133 ASN HA H 133 4.725 4.725 4.849 -0.124 18261 4455 1 6 . 1 1 133 133 ASN C C 133 174.646 174.646 174.388 0.258 18261 4456 1 6 . 1 1 133 133 ASN CA C 133 53.512 53.512 52.764 0.748 18261 4457 1 6 . 1 1 133 133 ASN CB C 133 39.301 39.301 40.544 -1.242 18261 4458 1 6 . 1 1 133 133 ASN H H 133 8.289 8.289 7.848 0.441 18261 4459 1 6 . 1 1 134 134 ASP N N 134 120.907 120.907 127.044 -6.137 18261 4460 1 6 . 1 1 134 134 ASP HA H 134 4.659 4.659 4.626 0.033 18261 4461 1 6 . 1 1 134 134 ASP C C 134 176.162 176.162 175.331 0.831 18261 4462 1 6 . 1 1 134 134 ASP CA C 134 54.379 54.379 55.217 -0.838 18261 4463 1 6 . 1 1 134 134 ASP CB C 134 41.291 41.291 39.373 1.918 18261 4464 1 6 . 1 1 134 134 ASP H H 134 8.364 8.364 8.765 -0.401 18261 4465 1 6 . 1 1 135 135 VAL N N 135 119.971 119.971 121.061 -1.090 18261 4466 1 6 . 1 1 135 135 VAL HA H 135 4.214 4.214 4.237 -0.023 18261 4467 1 6 . 1 1 135 135 VAL C C 135 176.162 176.162 175.139 1.023 18261 4468 1 6 . 1 1 135 135 VAL CA C 135 62.157 62.157 61.108 1.049 18261 4469 1 6 . 1 1 135 135 VAL CB C 135 32.644 32.644 32.065 0.580 18261 4470 1 6 . 1 1 135 135 VAL H H 135 8.118 8.118 7.896 0.222 18261 4471 1 6 . 1 1 136 136 SER N N 136 119.918 119.918 118.562 1.356 18261 4472 1 6 . 1 1 136 136 SER HA H 136 4.462 4.462 4.514 -0.052 18261 4473 1 6 . 1 1 136 136 SER C C 136 173.325 173.325 173.687 -0.362 18261 4474 1 6 . 1 1 136 136 SER CA C 136 58.342 58.342 58.736 -0.394 18261 4475 1 6 . 1 1 136 136 SER CB C 136 64.041 64.041 62.116 1.925 18261 4476 1 6 . 1 1 136 136 SER H H 136 8.410 8.410 7.970 0.440 18261 4477 1 7 . 1 1 3 3 GLY CA C 3 45.200 45.200 46.176 -0.976 18261 4478 1 7 . 1 1 4 4 ASN N N 4 124.083 124.083 123.686 0.397 18261 4479 1 7 . 1 1 4 4 ASN HA H 4 4.530 4.530 4.868 -0.338 18261 4480 1 7 . 1 1 4 4 ASN C C 4 179.449 179.449 174.167 5.282 18261 4481 1 7 . 1 1 4 4 ASN CA C 4 54.803 54.803 52.508 2.295 18261 4482 1 7 . 1 1 4 4 ASN CB C 4 41.106 41.106 38.521 2.585 18261 4483 1 7 . 1 1 4 4 ASN H H 4 7.981 7.981 8.460 -0.479 18261 4484 1 7 . 1 1 6 6 HIS HA H 6 4.693 4.693 4.732 -0.039 18261 4485 1 7 . 1 1 6 6 HIS CA C 6 56.115 56.115 55.486 0.629 18261 4486 1 7 . 1 1 6 6 HIS CB C 6 31.011 31.011 31.894 -0.883 18261 4487 1 7 . 1 1 7 7 THR N N 7 115.238 115.238 123.013 -7.775 18261 4488 1 7 . 1 1 7 7 THR HA H 7 4.318 4.318 4.223 0.095 18261 4489 1 7 . 1 1 7 7 THR C C 7 173.970 173.970 173.544 0.426 18261 4490 1 7 . 1 1 7 7 THR CA C 7 62.099 62.099 62.587 -0.488 18261 4491 1 7 . 1 1 7 7 THR CB C 7 69.779 69.779 68.712 1.067 18261 4492 1 7 . 1 1 7 7 THR H H 7 8.120 8.120 8.365 -0.245 18261 4493 1 7 . 1 1 8 8 THR N N 8 115.713 115.713 121.768 -6.055 18261 4494 1 7 . 1 1 8 8 THR HA H 8 4.146 4.146 4.317 -0.171 18261 4495 1 7 . 1 1 8 8 THR C C 8 172.664 172.664 173.186 -0.522 18261 4496 1 7 . 1 1 8 8 THR CA C 8 58.349 58.349 59.221 -0.872 18261 4497 1 7 . 1 1 8 8 THR CB C 8 69.219 69.219 71.410 -2.191 18261 4498 1 7 . 1 1 8 8 THR H H 8 7.977 7.977 7.620 0.357 18261 4499 1 7 . 1 1 9 9 PRO HA H 9 3.939 3.939 4.006 -0.067 18261 4500 1 7 . 1 1 9 9 PRO CA C 9 62.965 62.965 63.940 -0.975 18261 4501 1 7 . 1 1 9 9 PRO CB C 9 30.610 30.610 30.707 -0.097 18261 4502 1 7 . 1 1 10 10 TRP N N 10 111.487 111.487 113.682 -2.195 18261 4503 1 7 . 1 1 10 10 TRP HA H 10 4.899 4.899 4.565 0.334 18261 4504 1 7 . 1 1 10 10 TRP C C 10 175.817 175.817 176.612 -0.795 18261 4505 1 7 . 1 1 10 10 TRP CA C 10 54.292 54.292 55.632 -1.340 18261 4506 1 7 . 1 1 10 10 TRP CB C 10 31.219 31.219 28.847 2.372 18261 4507 1 7 . 1 1 10 10 TRP H H 10 6.681 6.681 7.003 -0.323 18261 4508 1 7 . 1 1 11 11 THR N N 11 106.120 106.120 113.097 -6.977 18261 4509 1 7 . 1 1 11 11 THR HA H 11 3.905 3.905 4.204 -0.299 18261 4510 1 7 . 1 1 11 11 THR C C 11 173.970 173.970 174.416 -0.446 18261 4511 1 7 . 1 1 11 11 THR CA C 11 63.937 63.937 63.947 -0.010 18261 4512 1 7 . 1 1 11 11 THR CB C 11 69.242 69.242 69.133 0.109 18261 4513 1 7 . 1 1 11 11 THR H H 11 7.189 7.189 7.474 -0.285 18261 4514 1 7 . 1 1 12 12 ASN N N 12 116.403 116.403 116.625 -0.222 18261 4515 1 7 . 1 1 12 12 ASN HA H 12 5.115 5.115 5.033 0.082 18261 4516 1 7 . 1 1 12 12 ASN C C 12 172.889 172.889 173.519 -0.630 18261 4517 1 7 . 1 1 12 12 ASN CA C 12 51.276 51.276 51.530 -0.254 18261 4518 1 7 . 1 1 12 12 ASN CB C 12 40.474 40.474 40.475 -0.001 18261 4519 1 7 . 1 1 12 12 ASN H H 12 7.282 7.282 7.561 -0.279 18261 4520 1 7 . 1 1 13 13 PRO HA H 13 4.210 4.210 4.289 -0.079 18261 4521 1 7 . 1 1 13 13 PRO CA C 13 65.516 65.516 66.267 -0.751 18261 4522 1 7 . 1 1 13 13 PRO CB C 13 32.418 32.418 31.998 0.420 18261 4523 1 7 . 1 1 14 14 GLY N N 14 108.796 108.796 106.145 2.651 18261 4524 1 7 . 1 1 14 14 GLY C C 14 175.952 175.952 176.613 -0.661 18261 4525 1 7 . 1 1 14 14 GLY CA C 14 47.073 47.073 46.851 0.222 18261 4526 1 7 . 1 1 14 14 GLY H H 14 8.363 8.363 8.428 -0.065 18261 4527 1 7 . 1 1 15 15 LEU N N 15 124.473 124.473 123.028 1.445 18261 4528 1 7 . 1 1 15 15 LEU HA H 15 4.335 4.335 4.218 0.117 18261 4529 1 7 . 1 1 15 15 LEU C C 15 178.564 178.564 178.630 -0.066 18261 4530 1 7 . 1 1 15 15 LEU CA C 15 57.402 57.402 56.715 0.687 18261 4531 1 7 . 1 1 15 15 LEU CB C 15 41.600 41.600 41.565 0.035 18261 4532 1 7 . 1 1 15 15 LEU H H 15 7.890 7.890 7.784 0.106 18261 4533 1 7 . 1 1 16 16 ALA N N 16 121.371 121.371 122.128 -0.757 18261 4534 1 7 . 1 1 16 16 ALA HA H 16 4.000 4.000 4.046 -0.046 18261 4535 1 7 . 1 1 16 16 ALA C C 16 179.104 179.104 179.622 -0.518 18261 4536 1 7 . 1 1 16 16 ALA CA C 16 56.360 56.360 55.555 0.805 18261 4537 1 7 . 1 1 16 16 ALA CB C 16 19.351 19.351 18.602 0.749 18261 4538 1 7 . 1 1 16 16 ALA H H 16 8.429 8.429 8.290 0.139 18261 4539 1 7 . 1 1 17 17 GLU N N 17 117.199 117.199 117.536 -0.337 18261 4540 1 7 . 1 1 17 17 GLU HA H 17 3.964 3.964 3.988 -0.024 18261 4541 1 7 . 1 1 17 17 GLU C C 17 177.993 177.993 178.991 -0.998 18261 4542 1 7 . 1 1 17 17 GLU CA C 17 59.543 59.543 59.121 0.422 18261 4543 1 7 . 1 1 17 17 GLU CB C 17 29.932 29.932 29.266 0.666 18261 4544 1 7 . 1 1 17 17 GLU H H 17 8.030 8.030 8.397 -0.367 18261 4545 1 7 . 1 1 18 18 ASN N N 18 118.433 118.433 119.132 -0.699 18261 4546 1 7 . 1 1 18 18 ASN HA H 18 4.546 4.546 4.547 -0.001 18261 4547 1 7 . 1 1 18 18 ASN C C 18 178.347 178.347 177.420 0.927 18261 4548 1 7 . 1 1 18 18 ASN CA C 18 56.226 56.226 55.527 0.699 18261 4549 1 7 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.218 -0.094 18261 4550 1 7 . 1 1 18 18 ASN H H 18 8.075 8.075 7.929 0.146 18261 4551 1 7 . 1 1 19 19 PHE N N 19 122.078 122.078 123.589 -1.511 18261 4552 1 7 . 1 1 19 19 PHE HA H 19 3.881 3.881 4.124 -0.243 18261 4553 1 7 . 1 1 19 19 PHE C C 19 176.837 176.837 177.280 -0.443 18261 4554 1 7 . 1 1 19 19 PHE CA C 19 62.230 62.230 61.647 0.583 18261 4555 1 7 . 1 1 19 19 PHE CB C 19 39.450 39.450 39.096 0.354 18261 4556 1 7 . 1 1 19 19 PHE H H 19 9.623 9.623 8.587 1.036 18261 4557 1 7 . 1 1 20 20 MET N N 20 118.264 118.264 116.637 1.627 18261 4558 1 7 . 1 1 20 20 MET HA H 20 4.424 4.424 4.126 0.298 18261 4559 1 7 . 1 1 20 20 MET C C 20 178.924 178.924 178.624 0.300 18261 4560 1 7 . 1 1 20 20 MET CA C 20 57.480 57.480 57.145 0.335 18261 4561 1 7 . 1 1 20 20 MET CB C 20 31.929 31.929 30.942 0.987 18261 4562 1 7 . 1 1 20 20 MET H H 20 8.865 8.865 8.260 0.605 18261 4563 1 7 . 1 1 21 21 ASN N N 21 118.455 118.455 119.691 -1.236 18261 4564 1 7 . 1 1 21 21 ASN HA H 21 4.542 4.542 4.441 0.101 18261 4565 1 7 . 1 1 21 21 ASN C C 21 178.249 178.249 178.082 0.167 18261 4566 1 7 . 1 1 21 21 ASN CA C 21 56.305 56.305 56.794 -0.489 18261 4567 1 7 . 1 1 21 21 ASN CB C 21 37.916 37.916 38.417 -0.501 18261 4568 1 7 . 1 1 21 21 ASN H H 21 8.453 8.453 8.054 0.399 18261 4569 1 7 . 1 1 22 22 SER N N 22 116.036 116.036 115.796 0.240 18261 4570 1 7 . 1 1 22 22 SER HA H 22 4.196 4.196 4.538 -0.342 18261 4571 1 7 . 1 1 22 22 SER C C 22 178.143 178.143 176.481 1.662 18261 4572 1 7 . 1 1 22 22 SER CA C 22 62.256 62.256 61.008 1.248 18261 4573 1 7 . 1 1 22 22 SER CB C 22 62.870 62.870 62.849 0.021 18261 4574 1 7 . 1 1 22 22 SER H H 22 7.959 7.959 8.016 -0.057 18261 4575 1 7 . 1 1 23 23 PHE N N 23 124.987 124.987 125.032 -0.045 18261 4576 1 7 . 1 1 23 23 PHE HA H 23 4.005 4.005 4.083 -0.078 18261 4577 1 7 . 1 1 23 23 PHE C C 23 175.652 175.652 176.927 -1.275 18261 4578 1 7 . 1 1 23 23 PHE CA C 23 60.525 60.525 61.195 -0.670 18261 4579 1 7 . 1 1 23 23 PHE CB C 23 38.899 38.899 38.963 -0.064 18261 4580 1 7 . 1 1 23 23 PHE H H 23 9.045 9.045 8.161 0.884 18261 4581 1 7 . 1 1 24 24 MET N N 24 117.260 117.260 116.255 1.005 18261 4582 1 7 . 1 1 24 24 MET HA H 24 4.040 4.040 3.797 0.243 18261 4583 1 7 . 1 1 24 24 MET C C 24 179.797 179.797 178.740 1.057 18261 4584 1 7 . 1 1 24 24 MET CA C 24 56.047 56.047 56.028 0.019 18261 4585 1 7 . 1 1 24 24 MET CB C 24 30.308 30.308 30.623 -0.315 18261 4586 1 7 . 1 1 24 24 MET H H 24 8.302 8.302 8.342 -0.040 18261 4587 1 7 . 1 1 25 25 GLN N N 25 120.167 120.167 119.520 0.647 18261 4588 1 7 . 1 1 25 25 GLN HA H 25 3.985 3.985 4.012 -0.027 18261 4589 1 7 . 1 1 25 25 GLN C C 25 179.870 179.870 178.744 1.126 18261 4590 1 7 . 1 1 25 25 GLN CA C 25 59.136 59.136 58.714 0.422 18261 4591 1 7 . 1 1 25 25 GLN CB C 25 28.234 28.234 28.559 -0.325 18261 4592 1 7 . 1 1 25 25 GLN H H 25 8.038 8.038 7.731 0.307 18261 4593 1 7 . 1 1 26 26 GLY N N 26 107.636 107.636 105.660 1.976 18261 4594 1 7 . 1 1 26 26 GLY C C 26 176.387 176.387 176.094 0.293 18261 4595 1 7 . 1 1 26 26 GLY CA C 26 46.911 46.911 45.775 1.136 18261 4596 1 7 . 1 1 26 26 GLY H H 26 8.095 8.095 7.751 0.344 18261 4597 1 7 . 1 1 27 27 LEU N N 27 122.877 122.877 123.341 -0.464 18261 4598 1 7 . 1 1 27 27 LEU HA H 27 3.783 3.783 4.003 -0.220 18261 4599 1 7 . 1 1 27 27 LEU C C 27 178.564 178.564 178.635 -0.071 18261 4600 1 7 . 1 1 27 27 LEU CA C 27 57.262 57.262 56.922 0.340 18261 4601 1 7 . 1 1 27 27 LEU CB C 27 42.076 42.076 41.603 0.473 18261 4602 1 7 . 1 1 27 27 LEU H H 27 8.369 8.369 8.055 0.314 18261 4603 1 7 . 1 1 28 28 SER N N 28 109.474 109.474 113.685 -4.211 18261 4604 1 7 . 1 1 28 28 SER HA H 28 4.138 4.138 4.257 -0.119 18261 4605 1 7 . 1 1 28 28 SER C C 28 174.421 174.421 175.354 -0.933 18261 4606 1 7 . 1 1 28 28 SER CA C 28 61.153 61.153 60.813 0.340 18261 4607 1 7 . 1 1 28 28 SER CB C 28 63.320 63.320 62.912 0.408 18261 4608 1 7 . 1 1 28 28 SER H H 28 7.527 7.527 8.222 -0.695 18261 4609 1 7 . 1 1 29 29 SER N N 29 114.550 114.550 115.386 -0.836 18261 4610 1 7 . 1 1 29 29 SER HA H 29 4.734 4.734 4.548 0.186 18261 4611 1 7 . 1 1 29 29 SER C C 29 173.970 173.970 174.148 -0.178 18261 4612 1 7 . 1 1 29 29 SER CA C 29 57.927 57.927 58.515 -0.588 18261 4613 1 7 . 1 1 29 29 SER CB C 29 64.500 64.500 63.993 0.507 18261 4614 1 7 . 1 1 29 29 SER H H 29 7.449 7.449 7.581 -0.132 18261 4615 1 7 . 1 1 30 30 MET N N 30 122.420 122.420 122.691 -0.271 18261 4616 1 7 . 1 1 30 30 MET HA H 30 4.952 4.952 4.814 0.138 18261 4617 1 7 . 1 1 30 30 MET C C 30 174.195 174.195 174.308 -0.113 18261 4618 1 7 . 1 1 30 30 MET CA C 30 53.638 53.638 52.110 1.528 18261 4619 1 7 . 1 1 30 30 MET CB C 30 32.305 32.305 31.559 0.746 18261 4620 1 7 . 1 1 30 30 MET H H 30 7.674 7.674 7.578 0.096 18261 4621 1 7 . 1 1 31 31 PRO HA H 31 4.669 4.669 4.512 0.157 18261 4622 1 7 . 1 1 31 31 PRO CA C 31 62.880 62.880 63.102 -0.222 18261 4623 1 7 . 1 1 31 31 PRO CB C 31 32.742 32.742 32.482 0.260 18261 4624 1 7 . 1 1 32 32 GLY N N 32 106.222 106.222 107.862 -1.640 18261 4625 1 7 . 1 1 32 32 GLY C C 32 172.454 172.454 173.319 -0.865 18261 4626 1 7 . 1 1 32 32 GLY CA C 32 45.608 45.608 44.626 0.982 18261 4627 1 7 . 1 1 32 32 GLY H H 32 8.415 8.415 8.375 0.040 18261 4628 1 7 . 1 1 33 33 PHE N N 33 116.404 116.404 117.834 -1.430 18261 4629 1 7 . 1 1 33 33 PHE HA H 33 5.167 5.167 5.311 -0.144 18261 4630 1 7 . 1 1 33 33 PHE C C 33 176.387 176.387 175.510 0.877 18261 4631 1 7 . 1 1 33 33 PHE CA C 33 56.750 56.750 56.513 0.237 18261 4632 1 7 . 1 1 33 33 PHE CB C 33 42.080 42.080 41.902 0.178 18261 4633 1 7 . 1 1 33 33 PHE H H 33 7.871 7.871 7.362 0.509 18261 4634 1 7 . 1 1 34 34 THR N N 34 113.684 113.684 112.478 1.206 18261 4635 1 7 . 1 1 34 34 THR HA H 34 4.545 4.545 4.629 -0.084 18261 4636 1 7 . 1 1 34 34 THR C C 34 175.066 175.066 174.701 0.365 18261 4637 1 7 . 1 1 34 34 THR CA C 34 60.339 60.339 59.659 0.680 18261 4638 1 7 . 1 1 34 34 THR CB C 34 70.381 70.381 70.940 -0.559 18261 4639 1 7 . 1 1 34 34 THR H H 34 8.899 8.899 7.970 0.929 18261 4640 1 7 . 1 1 35 35 ALA N N 35 122.927 122.927 125.330 -2.403 18261 4641 1 7 . 1 1 35 35 ALA HA H 35 4.092 4.092 4.123 -0.031 18261 4642 1 7 . 1 1 35 35 ALA C C 35 180.755 180.755 179.457 1.298 18261 4643 1 7 . 1 1 35 35 ALA CA C 35 55.827 55.827 55.405 0.422 18261 4644 1 7 . 1 1 35 35 ALA CB C 35 18.098 18.098 18.673 -0.575 18261 4645 1 7 . 1 1 35 35 ALA H H 35 8.864 8.864 8.775 0.089 18261 4646 1 7 . 1 1 36 36 SER N N 36 112.708 112.708 113.292 -0.584 18261 4647 1 7 . 1 1 36 36 SER HA H 36 4.276 4.276 4.103 0.173 18261 4648 1 7 . 1 1 36 36 SER C C 36 177.033 177.033 176.712 0.321 18261 4649 1 7 . 1 1 36 36 SER CA C 36 61.403 61.403 61.651 -0.248 18261 4650 1 7 . 1 1 36 36 SER CB C 36 62.371 62.371 62.738 -0.367 18261 4651 1 7 . 1 1 36 36 SER H H 36 8.389 8.389 8.280 0.109 18261 4652 1 7 . 1 1 37 37 GLN N N 37 121.595 121.595 120.869 0.726 18261 4653 1 7 . 1 1 37 37 GLN HA H 37 4.272 4.272 4.114 0.158 18261 4654 1 7 . 1 1 37 37 GLN C C 37 179.149 179.149 178.773 0.376 18261 4655 1 7 . 1 1 37 37 GLN CA C 37 58.638 58.638 58.812 -0.174 18261 4656 1 7 . 1 1 37 37 GLN CB C 37 29.123 29.123 28.872 0.251 18261 4657 1 7 . 1 1 37 37 GLN H H 37 7.621 7.621 7.597 0.024 18261 4658 1 7 . 1 1 38 38 LEU N N 38 119.852 119.852 120.206 -0.354 18261 4659 1 7 . 1 1 38 38 LEU HA H 38 3.838 3.838 3.876 -0.038 18261 4660 1 7 . 1 1 38 38 LEU C C 38 179.675 179.675 178.996 0.679 18261 4661 1 7 . 1 1 38 38 LEU CA C 38 57.929 57.929 57.688 0.242 18261 4662 1 7 . 1 1 38 38 LEU CB C 38 40.918 40.918 41.505 -0.588 18261 4663 1 7 . 1 1 38 38 LEU H H 38 8.341 8.341 8.626 -0.285 18261 4664 1 7 . 1 1 39 39 ASP N N 39 122.065 122.065 120.224 1.841 18261 4665 1 7 . 1 1 39 39 ASP HA H 39 4.439 4.439 4.312 0.127 18261 4666 1 7 . 1 1 39 39 ASP C C 39 179.224 179.224 178.095 1.129 18261 4667 1 7 . 1 1 39 39 ASP CA C 39 57.710 57.710 58.118 -0.408 18261 4668 1 7 . 1 1 39 39 ASP CB C 39 40.245 40.245 40.829 -0.584 18261 4669 1 7 . 1 1 39 39 ASP H H 39 7.955 7.955 8.292 -0.337 18261 4670 1 7 . 1 1 40 40 ASP N N 40 121.957 121.957 120.163 1.794 18261 4671 1 7 . 1 1 40 40 ASP HA H 40 4.483 4.483 4.387 0.096 18261 4672 1 7 . 1 1 40 40 ASP C C 40 179.600 179.600 178.146 1.454 18261 4673 1 7 . 1 1 40 40 ASP CA C 40 57.745 57.745 57.330 0.415 18261 4674 1 7 . 1 1 40 40 ASP CB C 40 40.190 40.190 41.077 -0.887 18261 4675 1 7 . 1 1 40 40 ASP H H 40 8.022 8.022 7.699 0.323 18261 4676 1 7 . 1 1 41 41 MET N N 41 121.160 121.160 119.777 1.383 18261 4677 1 7 . 1 1 41 41 MET HA H 41 4.204 4.204 4.038 0.166 18261 4678 1 7 . 1 1 41 41 MET C C 41 177.693 177.693 178.084 -0.391 18261 4679 1 7 . 1 1 41 41 MET CA C 41 57.634 57.634 59.645 -2.011 18261 4680 1 7 . 1 1 41 41 MET CB C 41 31.422 31.422 32.550 -1.128 18261 4681 1 7 . 1 1 41 41 MET H H 41 8.668 8.668 7.876 0.792 18261 4682 1 7 . 1 1 42 42 SER N N 42 116.421 116.421 115.335 1.086 18261 4683 1 7 . 1 1 42 42 SER HA H 42 4.304 4.304 4.210 0.094 18261 4684 1 7 . 1 1 42 42 SER C C 42 177.483 177.483 176.698 0.785 18261 4685 1 7 . 1 1 42 42 SER CA C 42 62.075 62.075 62.201 -0.126 18261 4686 1 7 . 1 1 42 42 SER CB C 42 62.765 62.765 62.814 -0.049 18261 4687 1 7 . 1 1 42 42 SER H H 42 8.375 8.375 8.462 -0.087 18261 4688 1 7 . 1 1 43 43 THR N N 43 118.797 118.797 119.413 -0.616 18261 4689 1 7 . 1 1 43 43 THR HA H 43 4.042 4.042 4.056 -0.014 18261 4690 1 7 . 1 1 43 43 THR C C 43 177.258 177.258 176.607 0.651 18261 4691 1 7 . 1 1 43 43 THR CA C 43 66.584 66.584 66.395 0.189 18261 4692 1 7 . 1 1 43 43 THR CB C 43 68.490 68.490 68.702 -0.212 18261 4693 1 7 . 1 1 43 43 THR H H 43 7.928 7.928 7.690 0.238 18261 4694 1 7 . 1 1 44 44 ILE N N 44 122.960 122.960 121.647 1.313 18261 4695 1 7 . 1 1 44 44 ILE HA H 44 3.930 3.930 3.938 -0.008 18261 4696 1 7 . 1 1 44 44 ILE C C 44 178.564 178.564 178.192 0.372 18261 4697 1 7 . 1 1 44 44 ILE CA C 44 64.483 64.483 62.495 1.988 18261 4698 1 7 . 1 1 44 44 ILE CB C 44 38.015 38.015 36.145 1.870 18261 4699 1 7 . 1 1 44 44 ILE H H 44 7.863 7.863 8.548 -0.685 18261 4700 1 7 . 1 1 45 45 ALA N N 45 124.792 124.792 122.933 1.859 18261 4701 1 7 . 1 1 45 45 ALA HA H 45 4.122 4.122 4.020 0.102 18261 4702 1 7 . 1 1 45 45 ALA C C 45 179.404 179.404 179.816 -0.412 18261 4703 1 7 . 1 1 45 45 ALA CA C 45 56.009 56.009 55.338 0.671 18261 4704 1 7 . 1 1 45 45 ALA CB C 45 18.908 18.908 18.375 0.533 18261 4705 1 7 . 1 1 45 45 ALA H H 45 8.853 8.853 8.389 0.464 18261 4706 1 7 . 1 1 46 46 GLN N N 46 116.307 116.307 117.778 -1.471 18261 4707 1 7 . 1 1 46 46 GLN HA H 46 4.068 4.068 4.095 -0.027 18261 4708 1 7 . 1 1 46 46 GLN C C 46 179.014 179.014 178.780 0.234 18261 4709 1 7 . 1 1 46 46 GLN CA C 46 58.903 58.903 57.922 0.980 18261 4710 1 7 . 1 1 46 46 GLN CB C 46 28.250 28.250 27.787 0.463 18261 4711 1 7 . 1 1 46 46 GLN H H 46 8.238 8.238 7.957 0.281 18261 4712 1 7 . 1 1 47 47 SER N N 47 115.959 115.959 117.175 -1.216 18261 4713 1 7 . 1 1 47 47 SER HA H 47 4.261 4.261 4.164 0.097 18261 4714 1 7 . 1 1 47 47 SER C C 47 177.483 177.483 176.778 0.705 18261 4715 1 7 . 1 1 47 47 SER CA C 47 61.526 61.526 61.654 -0.128 18261 4716 1 7 . 1 1 47 47 SER CB C 47 62.842 62.842 62.541 0.301 18261 4717 1 7 . 1 1 47 47 SER H H 47 8.223 8.223 7.837 0.386 18261 4718 1 7 . 1 1 48 48 MET N N 48 121.963 121.963 120.980 0.983 18261 4719 1 7 . 1 1 48 48 MET HA H 48 4.110 4.110 4.030 0.080 18261 4720 1 7 . 1 1 48 48 MET C C 48 177.798 177.798 178.408 -0.610 18261 4721 1 7 . 1 1 48 48 MET CA C 48 57.531 57.531 57.724 -0.193 18261 4722 1 7 . 1 1 48 48 MET CB C 48 31.169 31.169 31.474 -0.305 18261 4723 1 7 . 1 1 48 48 MET H H 48 8.245 8.245 8.136 0.109 18261 4724 1 7 . 1 1 49 49 VAL N N 49 119.045 119.045 120.058 -1.013 18261 4725 1 7 . 1 1 49 49 VAL HA H 49 3.300 3.300 3.536 -0.236 18261 4726 1 7 . 1 1 49 49 VAL C C 49 177.910 177.910 178.257 -0.347 18261 4727 1 7 . 1 1 49 49 VAL CA C 49 67.811 67.811 67.264 0.547 18261 4728 1 7 . 1 1 49 49 VAL CB C 49 31.370 31.370 31.123 0.246 18261 4729 1 7 . 1 1 49 49 VAL H H 49 7.809 7.809 8.264 -0.455 18261 4730 1 7 . 1 1 50 50 GLN N N 50 118.357 118.357 118.099 0.258 18261 4731 1 7 . 1 1 50 50 GLN HA H 50 4.091 4.091 3.924 0.167 18261 4732 1 7 . 1 1 50 50 GLN C C 50 179.449 179.449 178.648 0.801 18261 4733 1 7 . 1 1 50 50 GLN CA C 50 59.056 59.056 58.675 0.381 18261 4734 1 7 . 1 1 50 50 GLN CB C 50 28.020 28.020 27.897 0.123 18261 4735 1 7 . 1 1 50 50 GLN H H 50 8.225 8.225 8.650 -0.425 18261 4736 1 7 . 1 1 51 51 SER N N 51 117.253 117.253 116.437 0.816 18261 4737 1 7 . 1 1 51 51 SER HA H 51 4.235 4.235 4.184 0.051 18261 4738 1 7 . 1 1 51 51 SER C C 51 176.374 176.374 176.791 -0.417 18261 4739 1 7 . 1 1 51 51 SER CA C 51 62.752 62.752 62.200 0.552 18261 4740 1 7 . 1 1 51 51 SER CB C 51 62.963 62.963 62.768 0.195 18261 4741 1 7 . 1 1 51 51 SER H H 51 8.328 8.328 7.775 0.553 18261 4742 1 7 . 1 1 52 52 ILE N N 52 123.114 123.114 122.470 0.644 18261 4743 1 7 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.601 -0.002 18261 4744 1 7 . 1 1 52 52 ILE C C 52 178.684 178.684 177.696 0.988 18261 4745 1 7 . 1 1 52 52 ILE CA C 52 64.736 64.736 65.332 -0.596 18261 4746 1 7 . 1 1 52 52 ILE CB C 52 37.838 37.838 37.303 0.535 18261 4747 1 7 . 1 1 52 52 ILE H H 52 8.147 8.147 7.858 0.289 18261 4748 1 7 . 1 1 53 53 GLN N N 53 120.011 120.011 118.703 1.308 18261 4749 1 7 . 1 1 53 53 GLN HA H 53 3.946 3.946 4.031 -0.085 18261 4750 1 7 . 1 1 53 53 GLN C C 53 179.014 179.014 177.768 1.246 18261 4751 1 7 . 1 1 53 53 GLN CA C 53 59.501 59.501 58.913 0.588 18261 4752 1 7 . 1 1 53 53 GLN CB C 53 27.901 27.901 28.294 -0.393 18261 4753 1 7 . 1 1 53 53 GLN H H 53 8.583 8.583 8.658 -0.075 18261 4754 1 7 . 1 1 54 54 SER N N 54 115.479 115.479 114.128 1.351 18261 4755 1 7 . 1 1 54 54 SER HA H 54 4.302 4.302 4.411 -0.109 18261 4756 1 7 . 1 1 54 54 SER C C 54 176.822 176.822 176.017 0.805 18261 4757 1 7 . 1 1 54 54 SER CA C 54 61.492 61.492 60.869 0.623 18261 4758 1 7 . 1 1 54 54 SER CB C 54 62.880 62.880 63.805 -0.925 18261 4759 1 7 . 1 1 54 54 SER H H 54 8.271 8.271 7.689 0.582 18261 4760 1 7 . 1 1 55 55 LEU N N 55 121.519 121.519 123.519 -2.000 18261 4761 1 7 . 1 1 55 55 LEU HA H 55 4.068 4.068 4.047 0.021 18261 4762 1 7 . 1 1 55 55 LEU C C 55 179.434 179.434 177.353 2.081 18261 4763 1 7 . 1 1 55 55 LEU CA C 55 57.793 57.793 57.848 -0.055 18261 4764 1 7 . 1 1 55 55 LEU CB C 55 42.245 42.245 41.844 0.401 18261 4765 1 7 . 1 1 55 55 LEU H H 55 7.974 7.974 8.331 -0.357 18261 4766 1 7 . 1 1 56 56 ALA N N 56 121.040 121.040 117.113 3.927 18261 4767 1 7 . 1 1 56 56 ALA HA H 56 4.228 4.228 4.415 -0.187 18261 4768 1 7 . 1 1 56 56 ALA C C 56 180.530 180.530 177.841 2.689 18261 4769 1 7 . 1 1 56 56 ALA CA C 56 54.331 54.331 53.123 1.208 18261 4770 1 7 . 1 1 56 56 ALA CB C 56 18.075 18.075 18.553 -0.478 18261 4771 1 7 . 1 1 56 56 ALA H H 56 8.032 8.032 8.063 -0.031 18261 4772 1 7 . 1 1 57 57 ALA N N 57 121.325 121.325 121.042 0.283 18261 4773 1 7 . 1 1 57 57 ALA HA H 57 4.219 4.219 4.322 -0.102 18261 4774 1 7 . 1 1 57 57 ALA C C 57 179.344 179.344 179.091 0.253 18261 4775 1 7 . 1 1 57 57 ALA CA C 57 54.446 54.446 53.729 0.717 18261 4776 1 7 . 1 1 57 57 ALA CB C 57 18.470 18.470 19.475 -1.005 18261 4777 1 7 . 1 1 57 57 ALA H H 57 8.030 8.030 7.435 0.595 18261 4778 1 7 . 1 1 58 58 GLN N N 58 114.257 114.257 117.223 -2.966 18261 4779 1 7 . 1 1 58 58 GLN HA H 58 4.356 4.356 4.258 0.098 18261 4780 1 7 . 1 1 58 58 GLN C C 58 176.612 176.612 176.380 0.232 18261 4781 1 7 . 1 1 58 58 GLN CA C 58 55.957 55.957 55.630 0.327 18261 4782 1 7 . 1 1 58 58 GLN CB C 58 29.767 29.767 29.086 0.681 18261 4783 1 7 . 1 1 58 58 GLN H H 58 7.751 7.751 8.300 -0.549 18261 4784 1 7 . 1 1 59 59 GLY N N 59 108.304 108.304 107.160 1.144 18261 4785 1 7 . 1 1 59 59 GLY C C 59 174.856 174.856 174.830 0.026 18261 4786 1 7 . 1 1 59 59 GLY CA C 59 46.197 46.197 45.707 0.490 18261 4787 1 7 . 1 1 59 59 GLY H H 59 7.910 7.910 7.803 0.107 18261 4788 1 7 . 1 1 60 60 ARG N N 60 118.258 118.258 117.448 0.810 18261 4789 1 7 . 1 1 60 60 ARG HA H 60 4.553 4.553 4.520 0.033 18261 4790 1 7 . 1 1 60 60 ARG C C 60 175.847 175.847 175.944 -0.097 18261 4791 1 7 . 1 1 60 60 ARG CA C 60 55.658 55.658 54.917 0.741 18261 4792 1 7 . 1 1 60 60 ARG CB C 60 31.714 31.714 30.600 1.114 18261 4793 1 7 . 1 1 60 60 ARG H H 60 8.108 8.108 7.910 0.198 18261 4794 1 7 . 1 1 61 61 THR N N 61 115.924 115.924 115.081 0.843 18261 4795 1 7 . 1 1 61 61 THR HA H 61 4.785 4.785 4.293 0.492 18261 4796 1 7 . 1 1 61 61 THR C C 61 173.654 173.654 174.540 -0.886 18261 4797 1 7 . 1 1 61 61 THR CA C 61 63.140 63.140 62.109 1.031 18261 4798 1 7 . 1 1 61 61 THR CB C 61 68.602 68.602 67.802 0.799 18261 4799 1 7 . 1 1 61 61 THR H H 61 7.970 7.970 7.941 0.029 18261 4800 1 7 . 1 1 62 62 SER N N 62 119.666 119.666 121.176 -1.510 18261 4801 1 7 . 1 1 62 62 SER HA H 62 4.902 4.902 4.676 0.226 18261 4802 1 7 . 1 1 62 62 SER C C 62 173.207 173.207 174.428 -1.221 18261 4803 1 7 . 1 1 62 62 SER CA C 62 56.193 56.193 56.434 -0.242 18261 4804 1 7 . 1 1 62 62 SER CB C 62 63.781 63.781 62.736 1.045 18261 4805 1 7 . 1 1 62 62 SER H H 62 7.788 7.788 7.839 -0.051 18261 4806 1 7 . 1 1 63 63 PRO HA H 63 4.313 4.313 4.115 0.198 18261 4807 1 7 . 1 1 63 63 PRO CA C 63 65.746 65.746 66.068 -0.322 18261 4808 1 7 . 1 1 63 63 PRO CB C 63 32.147 32.147 31.863 0.284 18261 4809 1 7 . 1 1 64 64 ASN HA H 64 4.550 4.550 4.573 -0.023 18261 4810 1 7 . 1 1 64 64 ASN CA C 64 56.202 56.202 55.733 0.469 18261 4811 1 7 . 1 1 64 64 ASN CB C 64 38.000 38.000 37.776 0.224 18261 4812 1 7 . 1 1 65 65 LYS N N 65 120.530 120.530 121.488 -0.958 18261 4813 1 7 . 1 1 65 65 LYS HA H 65 4.197 4.197 4.073 0.124 18261 4814 1 7 . 1 1 65 65 LYS C C 65 178.999 178.999 178.885 0.114 18261 4815 1 7 . 1 1 65 65 LYS CA C 65 58.250 58.250 59.447 -1.197 18261 4816 1 7 . 1 1 65 65 LYS CB C 65 32.498 32.498 32.423 0.075 18261 4817 1 7 . 1 1 65 65 LYS H H 65 7.770 7.770 7.665 0.105 18261 4818 1 7 . 1 1 66 66 LEU N N 66 118.804 118.804 119.161 -0.357 18261 4819 1 7 . 1 1 66 66 LEU HA H 66 4.070 4.070 4.062 0.008 18261 4820 1 7 . 1 1 66 66 LEU C C 66 178.928 178.928 179.162 -0.234 18261 4821 1 7 . 1 1 66 66 LEU CA C 66 57.928 57.928 57.681 0.247 18261 4822 1 7 . 1 1 66 66 LEU CB C 66 41.329 41.329 41.517 -0.189 18261 4823 1 7 . 1 1 66 66 LEU H H 66 7.932 7.932 8.006 -0.074 18261 4824 1 7 . 1 1 67 67 GLN N N 67 119.307 119.307 119.513 -0.206 18261 4825 1 7 . 1 1 67 67 GLN HA H 67 4.224 4.224 4.055 0.169 18261 4826 1 7 . 1 1 67 67 GLN C C 67 178.789 178.789 178.334 0.455 18261 4827 1 7 . 1 1 67 67 GLN CA C 67 58.862 58.862 59.243 -0.381 18261 4828 1 7 . 1 1 67 67 GLN CB C 67 28.052 28.052 28.772 -0.720 18261 4829 1 7 . 1 1 67 67 GLN H H 67 8.160 8.160 8.261 -0.101 18261 4830 1 7 . 1 1 68 68 ALA N N 68 122.124 122.124 121.846 0.278 18261 4831 1 7 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.147 0.043 18261 4832 1 7 . 1 1 68 68 ALA C C 68 180.320 180.320 179.667 0.653 18261 4833 1 7 . 1 1 68 68 ALA CA C 68 55.282 55.282 54.879 0.403 18261 4834 1 7 . 1 1 68 68 ALA CB C 68 18.251 18.251 18.476 -0.225 18261 4835 1 7 . 1 1 68 68 ALA H H 68 7.844 7.844 7.931 -0.087 18261 4836 1 7 . 1 1 69 69 LEU N N 69 119.481 119.481 118.564 0.917 18261 4837 1 7 . 1 1 69 69 LEU HA H 69 3.912 3.912 3.896 0.016 18261 4838 1 7 . 1 1 69 69 LEU C C 69 178.864 178.864 179.045 -0.181 18261 4839 1 7 . 1 1 69 69 LEU CA C 69 57.904 57.904 57.397 0.507 18261 4840 1 7 . 1 1 69 69 LEU CB C 69 41.052 41.052 40.954 0.098 18261 4841 1 7 . 1 1 69 69 LEU H H 69 7.819 7.819 8.358 -0.539 18261 4842 1 7 . 1 1 70 70 ASN N N 70 119.633 119.633 119.030 0.603 18261 4843 1 7 . 1 1 70 70 ASN HA H 70 4.553 4.553 4.553 -0.000 18261 4844 1 7 . 1 1 70 70 ASN C C 70 177.483 177.483 177.099 0.384 18261 4845 1 7 . 1 1 70 70 ASN CA C 70 57.125 57.125 56.439 0.686 18261 4846 1 7 . 1 1 70 70 ASN CB C 70 38.392 38.392 38.288 0.104 18261 4847 1 7 . 1 1 70 70 ASN H H 70 8.265 8.265 7.984 0.281 18261 4848 1 7 . 1 1 71 71 MET N N 71 118.024 118.024 119.867 -1.843 18261 4849 1 7 . 1 1 71 71 MET HA H 71 4.201 4.201 4.169 0.032 18261 4850 1 7 . 1 1 71 71 MET C C 71 178.279 178.279 178.604 -0.325 18261 4851 1 7 . 1 1 71 71 MET CA C 71 59.445 59.445 59.523 -0.078 18261 4852 1 7 . 1 1 71 71 MET CB C 71 32.313 32.313 32.457 -0.144 18261 4853 1 7 . 1 1 71 71 MET H H 71 8.098 8.098 7.640 0.458 18261 4854 1 7 . 1 1 72 72 ARG N N 72 121.985 121.985 120.553 1.432 18261 4855 1 7 . 1 1 72 72 ARG HA H 72 3.981 3.981 4.013 -0.032 18261 4856 1 7 . 1 1 72 72 ARG C C 72 179.059 179.059 178.674 0.385 18261 4857 1 7 . 1 1 72 72 ARG CA C 72 59.058 59.058 59.032 0.026 18261 4858 1 7 . 1 1 72 72 ARG CB C 72 30.120 30.120 29.686 0.434 18261 4859 1 7 . 1 1 72 72 ARG H H 72 8.292 8.292 8.312 -0.020 18261 4860 1 7 . 1 1 73 73 PHE N N 73 122.085 122.085 120.248 1.837 18261 4861 1 7 . 1 1 73 73 PHE HA H 73 4.529 4.529 4.121 0.408 18261 4862 1 7 . 1 1 73 73 PHE C C 73 177.258 177.258 176.920 0.338 18261 4863 1 7 . 1 1 73 73 PHE CA C 73 59.248 59.248 60.787 -1.539 18261 4864 1 7 . 1 1 73 73 PHE CB C 73 39.527 39.527 38.686 0.841 18261 4865 1 7 . 1 1 73 73 PHE H H 73 8.703 8.703 8.554 0.149 18261 4866 1 7 . 1 1 74 74 ALA N N 74 119.273 119.273 120.850 -1.577 18261 4867 1 7 . 1 1 74 74 ALA HA H 74 3.764 3.764 3.698 0.066 18261 4868 1 7 . 1 1 74 74 ALA C C 74 179.374 179.374 179.490 -0.116 18261 4869 1 7 . 1 1 74 74 ALA CA C 74 55.324 55.324 55.188 0.136 18261 4870 1 7 . 1 1 74 74 ALA CB C 74 20.509 20.509 18.434 2.075 18261 4871 1 7 . 1 1 74 74 ALA H H 74 8.598 8.598 8.468 0.130 18261 4872 1 7 . 1 1 75 75 SER N N 75 113.611 113.611 113.284 0.327 18261 4873 1 7 . 1 1 75 75 SER HA H 75 3.636 3.636 4.199 -0.563 18261 4874 1 7 . 1 1 75 75 SER CA C 75 61.936 61.936 61.496 0.440 18261 4875 1 7 . 1 1 75 75 SER CB C 75 61.869 61.869 62.403 -0.534 18261 4876 1 7 . 1 1 75 75 SER H H 75 8.780 8.780 8.001 0.779 18261 4877 1 7 . 1 1 76 76 SER N N 76 119.013 119.013 119.733 -0.720 18261 4878 1 7 . 1 1 76 76 SER HA H 76 4.310 4.310 4.164 0.146 18261 4879 1 7 . 1 1 76 76 SER CA C 76 62.536 62.536 62.006 0.530 18261 4880 1 7 . 1 1 76 76 SER CB C 76 62.943 62.943 62.785 0.158 18261 4881 1 7 . 1 1 76 76 SER H H 76 8.210 8.210 8.100 0.110 18261 4882 1 7 . 1 1 77 77 MET N N 77 120.105 120.105 120.616 -0.511 18261 4883 1 7 . 1 1 77 77 MET HA H 77 4.027 4.027 4.118 -0.091 18261 4884 1 7 . 1 1 77 77 MET C C 77 178.354 178.354 177.821 0.533 18261 4885 1 7 . 1 1 77 77 MET CA C 77 59.954 59.954 59.015 0.939 18261 4886 1 7 . 1 1 77 77 MET CB C 77 34.616 34.616 32.412 2.204 18261 4887 1 7 . 1 1 77 77 MET H H 77 8.005 8.005 7.571 0.434 18261 4888 1 7 . 1 1 78 78 ALA N N 78 121.530 121.530 123.189 -1.659 18261 4889 1 7 . 1 1 78 78 ALA HA H 78 3.933 3.933 4.038 -0.105 18261 4890 1 7 . 1 1 78 78 ALA C C 78 178.354 178.354 179.753 -1.399 18261 4891 1 7 . 1 1 78 78 ALA CA C 78 55.427 55.427 55.599 -0.172 18261 4892 1 7 . 1 1 78 78 ALA CB C 78 20.344 20.344 17.823 2.521 18261 4893 1 7 . 1 1 78 78 ALA H H 78 8.550 8.550 7.957 0.593 18261 4894 1 7 . 1 1 79 79 GLU N N 79 117.137 117.137 118.130 -0.993 18261 4895 1 7 . 1 1 79 79 GLU HA H 79 3.919 3.919 4.004 -0.085 18261 4896 1 7 . 1 1 79 79 GLU C C 79 178.894 178.894 179.202 -0.308 18261 4897 1 7 . 1 1 79 79 GLU CA C 79 59.445 59.445 59.684 -0.240 18261 4898 1 7 . 1 1 79 79 GLU CB C 79 29.895 29.895 29.373 0.522 18261 4899 1 7 . 1 1 79 79 GLU H H 79 7.737 7.737 8.265 -0.528 18261 4900 1 7 . 1 1 80 80 ILE N N 80 118.063 118.063 119.178 -1.115 18261 4901 1 7 . 1 1 80 80 ILE HA H 80 3.932 3.932 3.879 0.053 18261 4902 1 7 . 1 1 80 80 ILE C C 80 179.014 179.014 178.534 0.480 18261 4903 1 7 . 1 1 80 80 ILE CA C 80 63.727 63.727 64.171 -0.444 18261 4904 1 7 . 1 1 80 80 ILE CB C 80 38.208 38.208 37.783 0.425 18261 4905 1 7 . 1 1 80 80 ILE H H 80 7.239 7.239 7.233 0.006 18261 4906 1 7 . 1 1 81 81 ALA N N 81 121.494 121.494 122.187 -0.693 18261 4907 1 7 . 1 1 81 81 ALA HA H 81 3.961 3.961 4.208 -0.247 18261 4908 1 7 . 1 1 81 81 ALA C C 81 177.258 177.258 178.555 -1.297 18261 4909 1 7 . 1 1 81 81 ALA CA C 81 54.668 54.668 54.706 -0.038 18261 4910 1 7 . 1 1 81 81 ALA CB C 81 17.887 17.887 18.649 -0.762 18261 4911 1 7 . 1 1 81 81 ALA H H 81 8.495 8.495 8.473 0.022 18261 4912 1 7 . 1 1 82 82 ALA N N 82 116.416 116.416 117.644 -1.228 18261 4913 1 7 . 1 1 82 82 ALA HA H 82 4.316 4.316 4.176 0.140 18261 4914 1 7 . 1 1 82 82 ALA C C 82 177.693 177.693 178.264 -0.571 18261 4915 1 7 . 1 1 82 82 ALA CA C 82 52.630 52.630 53.705 -1.075 18261 4916 1 7 . 1 1 82 82 ALA CB C 82 19.224 19.224 18.945 0.279 18261 4917 1 7 . 1 1 82 82 ALA H H 82 8.034 8.034 8.166 -0.132 18261 4918 1 7 . 1 1 83 83 SER N N 83 112.672 112.672 114.683 -2.011 18261 4919 1 7 . 1 1 83 83 SER HA H 83 4.299 4.299 4.513 -0.214 18261 4920 1 7 . 1 1 83 83 SER C C 83 174.856 174.856 173.593 1.263 18261 4921 1 7 . 1 1 83 83 SER CA C 83 59.329 59.329 56.285 3.044 18261 4922 1 7 . 1 1 83 83 SER CB C 83 63.943 63.943 62.191 1.752 18261 4923 1 7 . 1 1 83 83 SER H H 83 7.437 7.437 7.563 -0.126 18261 4924 1 7 . 1 1 84 84 GLU N N 84 122.890 122.890 125.186 -2.296 18261 4925 1 7 . 1 1 84 84 GLU HA H 84 4.420 4.420 4.443 -0.023 18261 4926 1 7 . 1 1 84 84 GLU C C 84 176.597 176.597 176.556 0.041 18261 4927 1 7 . 1 1 84 84 GLU CA C 84 56.586 56.586 55.834 0.752 18261 4928 1 7 . 1 1 84 84 GLU CB C 84 30.648 30.648 28.320 2.328 18261 4929 1 7 . 1 1 84 84 GLU H H 84 8.245 8.245 7.779 0.466 18261 4930 1 7 . 1 1 85 85 GLU N N 85 122.062 122.062 125.885 -3.823 18261 4931 1 7 . 1 1 85 85 GLU HA H 85 4.285 4.285 4.021 0.265 18261 4932 1 7 . 1 1 85 85 GLU C C 85 177.258 177.258 177.585 -0.327 18261 4933 1 7 . 1 1 85 85 GLU CA C 85 57.128 57.128 58.533 -1.405 18261 4934 1 7 . 1 1 85 85 GLU CB C 85 30.121 30.121 29.478 0.643 18261 4935 1 7 . 1 1 85 85 GLU H H 85 8.477 8.477 8.123 0.354 18261 4936 1 7 . 1 1 86 86 GLY N N 86 110.431 110.431 106.510 3.921 18261 4937 1 7 . 1 1 86 86 GLY C C 86 174.856 174.856 173.950 0.906 18261 4938 1 7 . 1 1 86 86 GLY CA C 86 45.654 45.654 45.311 0.343 18261 4939 1 7 . 1 1 86 86 GLY H H 86 8.563 8.563 8.422 0.141 18261 4940 1 7 . 1 1 87 87 GLY N N 87 108.508 108.508 107.175 1.333 18261 4941 1 7 . 1 1 87 87 GLY C C 87 174.436 174.436 174.124 0.312 18261 4942 1 7 . 1 1 87 87 GLY CA C 87 45.396 45.396 44.405 0.991 18261 4943 1 7 . 1 1 87 87 GLY H H 87 8.274 8.274 7.490 0.784 18261 4944 1 7 . 1 1 88 88 GLY N N 88 107.821 107.821 110.225 -2.404 18261 4945 1 7 . 1 1 88 88 GLY C C 88 173.325 173.325 173.122 0.203 18261 4946 1 7 . 1 1 88 88 GLY CA C 88 44.814 44.814 45.508 -0.694 18261 4947 1 7 . 1 1 88 88 GLY H H 88 8.105 8.105 8.316 -0.211 18261 4948 1 7 . 1 1 89 89 SER N N 89 115.747 115.747 114.966 0.781 18261 4949 1 7 . 1 1 89 89 SER HA H 89 4.582 4.582 4.634 -0.052 18261 4950 1 7 . 1 1 89 89 SER C C 89 175.066 175.066 174.539 0.527 18261 4951 1 7 . 1 1 89 89 SER CA C 89 57.256 57.256 57.291 -0.035 18261 4952 1 7 . 1 1 89 89 SER CB C 89 65.130 65.130 65.448 -0.318 18261 4953 1 7 . 1 1 89 89 SER H H 89 8.476 8.476 7.983 0.493 18261 4954 1 7 . 1 1 90 90 LEU N N 90 124.735 124.735 125.749 -1.014 18261 4955 1 7 . 1 1 90 90 LEU HA H 90 4.106 4.106 4.025 0.081 18261 4956 1 7 . 1 1 90 90 LEU C C 90 179.434 179.434 178.046 1.388 18261 4957 1 7 . 1 1 90 90 LEU CA C 90 58.434 58.434 57.742 0.692 18261 4958 1 7 . 1 1 90 90 LEU CB C 90 41.377 41.377 42.147 -0.770 18261 4959 1 7 . 1 1 90 90 LEU H H 90 8.860 8.860 8.679 0.181 18261 4960 1 7 . 1 1 91 91 SER N N 91 113.851 113.851 113.806 0.045 18261 4961 1 7 . 1 1 91 91 SER C C 91 177.325 177.325 176.797 0.528 18261 4962 1 7 . 1 1 91 91 SER CA C 91 61.261 61.261 61.954 -0.693 18261 4963 1 7 . 1 1 91 91 SER CB C 91 62.010 62.010 62.772 -0.762 18261 4964 1 7 . 1 1 91 91 SER H H 91 8.537 8.537 8.501 0.036 18261 4965 1 7 . 1 1 92 92 THR N N 92 120.889 120.889 118.348 2.541 18261 4966 1 7 . 1 1 92 92 THR HA H 92 3.993 3.993 4.137 -0.144 18261 4967 1 7 . 1 1 92 92 THR C C 92 176.162 176.162 176.836 -0.674 18261 4968 1 7 . 1 1 92 92 THR CA C 92 66.467 66.467 65.862 0.605 18261 4969 1 7 . 1 1 92 92 THR CB C 92 68.285 68.285 68.650 -0.365 18261 4970 1 7 . 1 1 92 92 THR H H 92 7.795 7.795 7.362 0.433 18261 4971 1 7 . 1 1 93 93 LYS N N 93 120.210 120.210 122.336 -2.126 18261 4972 1 7 . 1 1 93 93 LYS HA H 93 3.798 3.798 3.837 -0.039 18261 4973 1 7 . 1 1 93 93 LYS CA C 93 61.044 61.044 59.677 1.367 18261 4974 1 7 . 1 1 93 93 LYS CB C 93 33.470 33.470 32.255 1.216 18261 4975 1 7 . 1 1 93 93 LYS H H 93 8.098 8.098 7.522 0.576 18261 4976 1 7 . 1 1 94 94 THR N N 94 111.485 111.485 111.876 -0.391 18261 4977 1 7 . 1 1 94 94 THR HA H 94 3.936 3.936 4.200 -0.264 18261 4978 1 7 . 1 1 94 94 THR C C 94 177.033 177.033 176.805 0.228 18261 4979 1 7 . 1 1 94 94 THR CA C 94 66.974 66.974 65.886 1.087 18261 4980 1 7 . 1 1 94 94 THR CB C 94 68.013 68.013 68.307 -0.294 18261 4981 1 7 . 1 1 94 94 THR H H 94 8.891 8.891 8.377 0.514 18261 4982 1 7 . 1 1 95 95 SER N N 95 118.938 118.938 117.754 1.184 18261 4983 1 7 . 1 1 95 95 SER HA H 95 4.394 4.394 4.453 -0.059 18261 4984 1 7 . 1 1 95 95 SER C C 95 177.828 177.828 176.285 1.543 18261 4985 1 7 . 1 1 95 95 SER CA C 95 61.990 61.990 61.978 0.012 18261 4986 1 7 . 1 1 95 95 SER CB C 95 62.580 62.580 63.202 -0.621 18261 4987 1 7 . 1 1 95 95 SER H H 95 8.118 8.118 7.460 0.658 18261 4988 1 7 . 1 1 96 96 SER N N 96 121.520 121.520 119.093 2.427 18261 4989 1 7 . 1 1 96 96 SER HA H 96 4.457 4.457 4.285 0.172 18261 4990 1 7 . 1 1 96 96 SER CA C 96 62.695 62.695 61.996 0.699 18261 4991 1 7 . 1 1 96 96 SER CB C 96 62.796 62.796 63.035 -0.239 18261 4992 1 7 . 1 1 96 96 SER H H 96 8.603 8.603 8.288 0.315 18261 4993 1 7 . 1 1 97 97 ILE N N 97 122.420 122.420 123.574 -1.154 18261 4994 1 7 . 1 1 97 97 ILE HA H 97 3.792 3.792 3.882 -0.090 18261 4995 1 7 . 1 1 97 97 ILE C C 97 177.693 177.693 177.908 -0.215 18261 4996 1 7 . 1 1 97 97 ILE CA C 97 66.722 66.722 65.590 1.132 18261 4997 1 7 . 1 1 97 97 ILE CB C 97 38.645 38.645 37.646 0.999 18261 4998 1 7 . 1 1 97 97 ILE H H 97 8.516 8.516 7.826 0.690 18261 4999 1 7 . 1 1 98 98 ALA N N 98 122.031 122.031 121.568 0.463 18261 5000 1 7 . 1 1 98 98 ALA HA H 98 4.063 4.063 4.109 -0.046 18261 5001 1 7 . 1 1 98 98 ALA C C 98 180.740 180.740 179.844 0.896 18261 5002 1 7 . 1 1 98 98 ALA CA C 98 56.158 56.158 55.543 0.615 18261 5003 1 7 . 1 1 98 98 ALA CB C 98 18.347 18.347 17.930 0.417 18261 5004 1 7 . 1 1 98 98 ALA H H 98 8.437 8.437 7.837 0.600 18261 5005 1 7 . 1 1 99 99 SER N N 99 115.676 115.676 114.771 0.905 18261 5006 1 7 . 1 1 99 99 SER HA H 99 4.369 4.369 4.292 0.077 18261 5007 1 7 . 1 1 99 99 SER C C 99 177.168 177.168 176.539 0.629 18261 5008 1 7 . 1 1 99 99 SER CA C 99 61.959 61.959 61.090 0.869 18261 5009 1 7 . 1 1 99 99 SER CB C 99 63.160 63.160 62.942 0.218 18261 5010 1 7 . 1 1 99 99 SER H H 99 8.611 8.611 7.844 0.767 18261 5011 1 7 . 1 1 100 100 ALA N N 100 124.275 124.275 124.494 -0.219 18261 5012 1 7 . 1 1 100 100 ALA HA H 100 4.243 4.243 3.979 0.264 18261 5013 1 7 . 1 1 100 100 ALA C C 100 181.851 181.851 179.656 2.195 18261 5014 1 7 . 1 1 100 100 ALA CA C 100 55.321 55.321 55.136 0.185 18261 5015 1 7 . 1 1 100 100 ALA CB C 100 18.479 18.479 18.246 0.233 18261 5016 1 7 . 1 1 100 100 ALA H H 100 8.973 8.973 8.573 0.400 18261 5017 1 7 . 1 1 101 101 MET N N 101 118.986 118.986 118.406 0.580 18261 5018 1 7 . 1 1 101 101 MET HA H 101 4.063 4.063 3.952 0.111 18261 5019 1 7 . 1 1 101 101 MET C C 101 177.483 177.483 178.784 -1.301 18261 5020 1 7 . 1 1 101 101 MET CA C 101 60.999 60.999 59.960 1.039 18261 5021 1 7 . 1 1 101 101 MET CB C 101 34.583 34.583 32.880 1.703 18261 5022 1 7 . 1 1 101 101 MET H H 101 9.072 9.072 8.944 0.128 18261 5023 1 7 . 1 1 102 102 SER N N 102 116.650 116.650 115.913 0.737 18261 5024 1 7 . 1 1 102 102 SER HA H 102 4.370 4.370 4.464 -0.094 18261 5025 1 7 . 1 1 102 102 SER C C 102 176.357 176.357 176.837 -0.480 18261 5026 1 7 . 1 1 102 102 SER CA C 102 63.278 63.278 62.598 0.680 18261 5027 1 7 . 1 1 102 102 SER CB C 102 62.523 62.523 62.860 -0.337 18261 5028 1 7 . 1 1 102 102 SER H H 102 8.673 8.673 8.474 0.199 18261 5029 1 7 . 1 1 103 103 ASN N N 103 118.060 118.060 119.686 -1.626 18261 5030 1 7 . 1 1 103 103 ASN HA H 103 4.477 4.477 4.551 -0.074 18261 5031 1 7 . 1 1 103 103 ASN C C 103 176.603 176.603 177.227 -0.624 18261 5032 1 7 . 1 1 103 103 ASN CA C 103 56.564 56.564 55.684 0.880 18261 5033 1 7 . 1 1 103 103 ASN CB C 103 38.362 38.362 38.388 -0.026 18261 5034 1 7 . 1 1 103 103 ASN H H 103 8.098 8.098 8.327 -0.229 18261 5035 1 7 . 1 1 104 104 ALA N N 104 122.235 122.235 122.175 0.060 18261 5036 1 7 . 1 1 104 104 ALA HA H 104 4.255 4.255 3.929 0.326 18261 5037 1 7 . 1 1 104 104 ALA C C 104 181.701 181.701 179.751 1.950 18261 5038 1 7 . 1 1 104 104 ALA CA C 104 54.815 54.815 54.719 0.096 18261 5039 1 7 . 1 1 104 104 ALA CB C 104 18.177 18.177 17.819 0.358 18261 5040 1 7 . 1 1 104 104 ALA H H 104 7.919 7.919 7.915 0.004 18261 5041 1 7 . 1 1 105 105 PHE N N 105 119.159 119.159 118.762 0.397 18261 5042 1 7 . 1 1 105 105 PHE HA H 105 4.401 4.401 4.508 -0.107 18261 5043 1 7 . 1 1 105 105 PHE C C 105 179.224 179.224 178.166 1.058 18261 5044 1 7 . 1 1 105 105 PHE CA C 105 63.744 63.744 61.446 2.298 18261 5045 1 7 . 1 1 105 105 PHE CB C 105 39.417 39.417 38.767 0.650 18261 5046 1 7 . 1 1 105 105 PHE H H 105 8.615 8.615 8.468 0.147 18261 5047 1 7 . 1 1 106 106 LEU N N 106 121.765 121.765 116.805 4.960 18261 5048 1 7 . 1 1 106 106 LEU HA H 106 3.741 3.741 4.165 -0.424 18261 5049 1 7 . 1 1 106 106 LEU C C 106 179.074 179.074 179.075 -0.001 18261 5050 1 7 . 1 1 106 106 LEU CA C 106 59.086 59.086 57.415 1.671 18261 5051 1 7 . 1 1 106 106 LEU CB C 106 41.265 41.265 41.464 -0.199 18261 5052 1 7 . 1 1 106 106 LEU H H 106 8.259 8.259 7.746 0.513 18261 5053 1 7 . 1 1 107 107 GLN N N 107 114.755 114.755 116.322 -1.567 18261 5054 1 7 . 1 1 107 107 GLN HA H 107 4.189 4.189 4.379 -0.190 18261 5055 1 7 . 1 1 107 107 GLN C C 107 176.822 176.822 176.844 -0.022 18261 5056 1 7 . 1 1 107 107 GLN CA C 107 57.461 57.461 57.662 -0.201 18261 5057 1 7 . 1 1 107 107 GLN CB C 107 29.393 29.393 28.878 0.514 18261 5058 1 7 . 1 1 107 107 GLN H H 107 8.176 8.176 7.835 0.341 18261 5059 1 7 . 1 1 108 108 THR N N 108 108.074 108.074 111.791 -3.717 18261 5060 1 7 . 1 1 108 108 THR HA H 108 4.517 4.517 4.473 0.044 18261 5061 1 7 . 1 1 108 108 THR C C 108 175.952 175.952 175.763 0.189 18261 5062 1 7 . 1 1 108 108 THR CA C 108 62.526 62.526 64.069 -1.543 18261 5063 1 7 . 1 1 108 108 THR CB C 108 70.320 70.320 69.526 0.794 18261 5064 1 7 . 1 1 108 108 THR H H 108 7.740 7.740 7.394 0.346 18261 5065 1 7 . 1 1 109 109 THR N N 109 113.029 113.029 114.255 -1.226 18261 5066 1 7 . 1 1 109 109 THR HA H 109 4.620 4.620 4.468 0.152 18261 5067 1 7 . 1 1 109 109 THR C C 109 176.162 176.162 176.039 0.123 18261 5068 1 7 . 1 1 109 109 THR CA C 109 62.255 62.255 62.054 0.201 18261 5069 1 7 . 1 1 109 109 THR CB C 109 70.768 70.768 70.680 0.088 18261 5070 1 7 . 1 1 109 109 THR H H 109 8.869 8.869 7.886 0.983 18261 5071 1 7 . 1 1 110 110 GLY N N 110 109.433 109.433 110.968 -1.535 18261 5072 1 7 . 1 1 110 110 GLY C C 110 172.889 172.889 173.593 -0.704 18261 5073 1 7 . 1 1 110 110 GLY CA C 110 45.555 45.555 45.559 -0.004 18261 5074 1 7 . 1 1 110 110 GLY H H 110 8.298 8.298 8.564 -0.266 18261 5075 1 7 . 1 1 111 111 VAL N N 111 119.167 119.167 121.211 -2.044 18261 5076 1 7 . 1 1 111 111 VAL HA H 111 4.266 4.266 4.241 0.025 18261 5077 1 7 . 1 1 111 111 VAL C C 111 174.421 174.421 174.985 -0.564 18261 5078 1 7 . 1 1 111 111 VAL CA C 111 60.783 60.783 60.556 0.227 18261 5079 1 7 . 1 1 111 111 VAL CB C 111 35.394 35.394 34.480 0.914 18261 5080 1 7 . 1 1 111 111 VAL H H 111 7.786 7.786 7.586 0.200 18261 5081 1 7 . 1 1 112 112 VAL N N 112 124.920 124.920 123.459 1.461 18261 5082 1 7 . 1 1 112 112 VAL HA H 112 3.251 3.251 3.912 -0.661 18261 5083 1 7 . 1 1 112 112 VAL C C 112 174.646 174.646 174.810 -0.164 18261 5084 1 7 . 1 1 112 112 VAL CA C 112 64.409 64.409 61.162 3.247 18261 5085 1 7 . 1 1 112 112 VAL CB C 112 32.626 32.626 32.545 0.081 18261 5086 1 7 . 1 1 112 112 VAL H H 112 8.721 8.721 8.218 0.503 18261 5087 1 7 . 1 1 113 113 ASN HA H 113 4.505 4.505 4.545 -0.040 18261 5088 1 7 . 1 1 113 113 ASN CA C 113 50.080 50.080 51.771 -1.691 18261 5089 1 7 . 1 1 113 113 ASN CB C 113 36.910 36.910 38.467 -1.556 18261 5090 1 7 . 1 1 114 114 GLN N N 114 123.939 123.939 128.014 -4.075 18261 5091 1 7 . 1 1 114 114 GLN HA H 114 3.944 3.944 4.261 -0.317 18261 5092 1 7 . 1 1 114 114 GLN C C 114 174.811 174.811 174.953 -0.142 18261 5093 1 7 . 1 1 114 114 GLN CA C 114 59.348 59.348 59.882 -0.534 18261 5094 1 7 . 1 1 114 114 GLN CB C 114 26.505 26.505 26.938 -0.433 18261 5095 1 7 . 1 1 114 114 GLN H H 114 8.368 8.368 8.569 -0.201 18261 5096 1 7 . 1 1 115 115 PRO HA H 115 4.243 4.243 4.119 0.124 18261 5097 1 7 . 1 1 115 115 PRO CA C 115 66.602 66.602 65.909 0.692 18261 5098 1 7 . 1 1 115 115 PRO CB C 115 31.215 31.215 31.275 -0.060 18261 5099 1 7 . 1 1 116 116 PHE N N 116 117.612 117.612 117.491 0.121 18261 5100 1 7 . 1 1 116 116 PHE HA H 116 4.209 4.209 4.387 -0.178 18261 5101 1 7 . 1 1 116 116 PHE C C 116 176.597 176.597 177.546 -0.949 18261 5102 1 7 . 1 1 116 116 PHE CA C 116 61.261 61.261 61.083 0.178 18261 5103 1 7 . 1 1 116 116 PHE CB C 116 39.506 39.506 39.462 0.044 18261 5104 1 7 . 1 1 116 116 PHE H H 116 7.249 7.249 8.286 -1.037 18261 5105 1 7 . 1 1 117 117 ILE N N 117 119.233 119.233 119.765 -0.532 18261 5106 1 7 . 1 1 117 117 ILE HA H 117 3.537 3.537 3.719 -0.182 18261 5107 1 7 . 1 1 117 117 ILE C C 117 178.789 178.789 177.992 0.797 18261 5108 1 7 . 1 1 117 117 ILE CA C 117 65.677 65.677 65.203 0.474 18261 5109 1 7 . 1 1 117 117 ILE CB C 117 38.125 38.125 37.526 0.598 18261 5110 1 7 . 1 1 117 117 ILE H H 117 7.652 7.652 7.631 0.021 18261 5111 1 7 . 1 1 118 118 ASN N N 118 119.875 119.875 118.237 1.638 18261 5112 1 7 . 1 1 118 118 ASN HA H 118 4.304 4.304 4.503 -0.199 18261 5113 1 7 . 1 1 118 118 ASN C C 118 177.033 177.033 177.785 -0.752 18261 5114 1 7 . 1 1 118 118 ASN CA C 118 55.716 55.716 56.204 -0.488 18261 5115 1 7 . 1 1 118 118 ASN CB C 118 37.423 37.423 37.898 -0.475 18261 5116 1 7 . 1 1 118 118 ASN H H 118 8.975 8.975 8.292 0.683 18261 5117 1 7 . 1 1 119 119 GLU N N 119 121.029 121.029 120.476 0.553 18261 5118 1 7 . 1 1 119 119 GLU HA H 119 4.026 4.026 4.099 -0.073 18261 5119 1 7 . 1 1 119 119 GLU C C 119 178.564 178.564 178.752 -0.188 18261 5120 1 7 . 1 1 119 119 GLU CA C 119 59.426 59.426 58.856 0.570 18261 5121 1 7 . 1 1 119 119 GLU CB C 119 29.646 29.646 29.659 -0.013 18261 5122 1 7 . 1 1 119 119 GLU H H 119 8.120 8.120 7.501 0.619 18261 5123 1 7 . 1 1 120 120 ILE N N 120 117.654 117.654 119.943 -2.289 18261 5124 1 7 . 1 1 120 120 ILE HA H 120 3.734 3.734 3.745 -0.011 18261 5125 1 7 . 1 1 120 120 ILE C C 120 178.279 178.279 178.251 0.028 18261 5126 1 7 . 1 1 120 120 ILE CA C 120 62.756 62.756 65.314 -2.558 18261 5127 1 7 . 1 1 120 120 ILE CB C 120 35.645 35.645 37.978 -2.333 18261 5128 1 7 . 1 1 120 120 ILE H H 120 8.077 8.077 7.792 0.285 18261 5129 1 7 . 1 1 121 121 THR N N 121 112.585 112.585 113.103 -0.518 18261 5130 1 7 . 1 1 121 121 THR HA H 121 3.753 3.753 3.908 -0.155 18261 5131 1 7 . 1 1 121 121 THR C C 121 177.258 177.258 176.711 0.547 18261 5132 1 7 . 1 1 121 121 THR CA C 121 67.090 67.090 66.462 0.628 18261 5133 1 7 . 1 1 121 121 THR CB C 121 68.254 68.254 68.488 -0.234 18261 5134 1 7 . 1 1 121 121 THR H H 121 8.640 8.640 7.918 0.722 18261 5135 1 7 . 1 1 122 122 GLN N N 122 123.063 123.063 121.031 2.032 18261 5136 1 7 . 1 1 122 122 GLN HA H 122 4.091 4.091 4.143 -0.052 18261 5137 1 7 . 1 1 122 122 GLN C C 122 179.014 179.014 178.658 0.356 18261 5138 1 7 . 1 1 122 122 GLN CA C 122 59.192 59.192 58.454 0.738 18261 5139 1 7 . 1 1 122 122 GLN CB C 122 28.020 28.020 27.942 0.078 18261 5140 1 7 . 1 1 122 122 GLN H H 122 8.111 8.111 7.596 0.515 18261 5141 1 7 . 1 1 123 123 LEU N N 123 120.494 120.494 120.517 -0.023 18261 5142 1 7 . 1 1 123 123 LEU HA H 123 3.841 3.841 3.937 -0.096 18261 5143 1 7 . 1 1 123 123 LEU C C 123 178.354 178.354 179.087 -0.733 18261 5144 1 7 . 1 1 123 123 LEU CA C 123 58.005 58.005 57.896 0.109 18261 5145 1 7 . 1 1 123 123 LEU CB C 123 42.580 42.580 41.436 1.144 18261 5146 1 7 . 1 1 123 123 LEU H H 123 8.131 8.131 7.905 0.226 18261 5147 1 7 . 1 1 124 124 VAL N N 124 118.543 118.543 120.938 -2.395 18261 5148 1 7 . 1 1 124 124 VAL HA H 124 3.560 3.560 3.644 -0.084 18261 5149 1 7 . 1 1 124 124 VAL C C 124 177.453 177.453 178.367 -0.914 18261 5150 1 7 . 1 1 124 124 VAL CA C 124 67.297 67.297 67.110 0.187 18261 5151 1 7 . 1 1 124 124 VAL CB C 124 31.526 31.526 31.289 0.237 18261 5152 1 7 . 1 1 124 124 VAL H H 124 8.732 8.732 8.716 0.016 18261 5153 1 7 . 1 1 125 125 SER N N 125 112.449 112.449 114.670 -2.221 18261 5154 1 7 . 1 1 125 125 SER HA H 125 4.044 4.044 4.088 -0.044 18261 5155 1 7 . 1 1 125 125 SER C C 125 175.937 175.937 176.791 -0.854 18261 5156 1 7 . 1 1 125 125 SER CA C 125 62.356 62.356 61.998 0.358 18261 5157 1 7 . 1 1 125 125 SER CB C 125 62.890 62.890 62.974 -0.084 18261 5158 1 7 . 1 1 125 125 SER H H 125 7.863 7.863 7.758 0.105 18261 5159 1 7 . 1 1 126 126 MET N N 126 120.797 120.797 121.296 -0.499 18261 5160 1 7 . 1 1 126 126 MET HA H 126 4.051 4.051 4.151 -0.100 18261 5161 1 7 . 1 1 126 126 MET C C 126 179.254 179.254 177.571 1.683 18261 5162 1 7 . 1 1 126 126 MET CA C 126 58.939 58.939 58.722 0.217 18261 5163 1 7 . 1 1 126 126 MET CB C 126 32.625 32.625 32.633 -0.008 18261 5164 1 7 . 1 1 126 126 MET H H 126 8.033 8.033 7.447 0.586 18261 5165 1 7 . 1 1 127 127 PHE N N 127 118.244 118.244 118.532 -0.288 18261 5166 1 7 . 1 1 127 127 PHE HA H 127 4.398 4.398 4.226 0.172 18261 5167 1 7 . 1 1 127 127 PHE C C 127 178.128 178.128 177.248 0.880 18261 5168 1 7 . 1 1 127 127 PHE CA C 127 59.991 59.991 60.426 -0.435 18261 5169 1 7 . 1 1 127 127 PHE CB C 127 38.584 38.584 38.153 0.431 18261 5170 1 7 . 1 1 127 127 PHE H H 127 8.753 8.753 8.468 0.285 18261 5171 1 7 . 1 1 128 128 ALA N N 128 120.518 120.518 120.743 -0.225 18261 5172 1 7 . 1 1 128 128 ALA HA H 128 4.152 4.152 4.273 -0.121 18261 5173 1 7 . 1 1 128 128 ALA C C 128 178.789 178.789 180.433 -1.644 18261 5174 1 7 . 1 1 128 128 ALA CA C 128 54.570 54.570 54.681 -0.111 18261 5175 1 7 . 1 1 128 128 ALA CB C 128 19.373 19.373 18.529 0.844 18261 5176 1 7 . 1 1 128 128 ALA H H 128 8.681 8.681 8.460 0.221 18261 5177 1 7 . 1 1 129 129 GLN N N 129 115.315 115.315 119.222 -3.907 18261 5178 1 7 . 1 1 129 129 GLN HA H 129 4.197 4.197 4.085 0.112 18261 5179 1 7 . 1 1 129 129 GLN C C 129 177.258 177.258 178.384 -1.126 18261 5180 1 7 . 1 1 129 129 GLN CA C 129 57.519 57.519 58.365 -0.846 18261 5181 1 7 . 1 1 129 129 GLN CB C 129 29.271 29.271 28.605 0.666 18261 5182 1 7 . 1 1 129 129 GLN H H 129 7.835 7.835 7.907 -0.072 18261 5183 1 7 . 1 1 130 130 ALA N N 130 121.556 121.556 118.655 2.901 18261 5184 1 7 . 1 1 130 130 ALA HA H 130 4.285 4.285 4.281 0.004 18261 5185 1 7 . 1 1 130 130 ALA C C 130 178.564 178.564 178.230 0.334 18261 5186 1 7 . 1 1 130 130 ALA CA C 130 53.823 53.823 52.823 1.000 18261 5187 1 7 . 1 1 130 130 ALA CB C 130 19.058 19.058 18.548 0.510 18261 5188 1 7 . 1 1 130 130 ALA H H 130 7.758 7.758 7.676 0.082 18261 5189 1 7 . 1 1 131 131 GLY N N 131 105.780 105.780 105.748 0.032 18261 5190 1 7 . 1 1 131 131 GLY C C 131 173.970 173.970 174.860 -0.890 18261 5191 1 7 . 1 1 131 131 GLY CA C 131 45.702 45.702 45.256 0.446 18261 5192 1 7 . 1 1 131 131 GLY H H 131 8.222 8.222 7.699 0.523 18261 5193 1 7 . 1 1 132 132 MET N N 132 118.358 118.358 120.336 -1.978 18261 5194 1 7 . 1 1 132 132 MET HA H 132 4.540 4.540 4.268 0.272 18261 5195 1 7 . 1 1 132 132 MET C C 132 175.952 175.952 177.017 -1.065 18261 5196 1 7 . 1 1 132 132 MET CA C 132 55.611 55.611 57.989 -2.378 18261 5197 1 7 . 1 1 132 132 MET CB C 132 33.473 33.473 33.342 0.132 18261 5198 1 7 . 1 1 132 132 MET H H 132 7.763 7.763 7.507 0.256 18261 5199 1 7 . 1 1 133 133 ASN N N 133 119.002 119.002 114.932 4.070 18261 5200 1 7 . 1 1 133 133 ASN HA H 133 4.725 4.725 4.810 -0.085 18261 5201 1 7 . 1 1 133 133 ASN C C 133 174.646 174.646 173.803 0.843 18261 5202 1 7 . 1 1 133 133 ASN CA C 133 53.512 53.512 53.255 0.257 18261 5203 1 7 . 1 1 133 133 ASN CB C 133 39.301 39.301 39.959 -0.658 18261 5204 1 7 . 1 1 133 133 ASN H H 133 8.289 8.289 8.269 0.020 18261 5205 1 7 . 1 1 134 134 ASP N N 134 120.907 120.907 118.775 2.132 18261 5206 1 7 . 1 1 134 134 ASP HA H 134 4.659 4.659 4.461 0.198 18261 5207 1 7 . 1 1 134 134 ASP C C 134 176.162 176.162 175.769 0.393 18261 5208 1 7 . 1 1 134 134 ASP CA C 134 54.379 54.379 55.357 -0.978 18261 5209 1 7 . 1 1 134 134 ASP CB C 134 41.291 41.291 41.207 0.084 18261 5210 1 7 . 1 1 134 134 ASP H H 134 8.364 8.364 8.605 -0.241 18261 5211 1 7 . 1 1 135 135 VAL N N 135 119.971 119.971 119.950 0.021 18261 5212 1 7 . 1 1 135 135 VAL HA H 135 4.214 4.214 4.391 -0.177 18261 5213 1 7 . 1 1 135 135 VAL C C 135 176.162 176.162 174.468 1.694 18261 5214 1 7 . 1 1 135 135 VAL CA C 135 62.157 62.157 62.279 -0.122 18261 5215 1 7 . 1 1 135 135 VAL CB C 135 32.644 32.644 31.703 0.942 18261 5216 1 7 . 1 1 135 135 VAL H H 135 8.118 8.118 7.748 0.370 18261 5217 1 7 . 1 1 136 136 SER N N 136 119.918 119.918 121.401 -1.483 18261 5218 1 7 . 1 1 136 136 SER HA H 136 4.462 4.462 4.708 -0.246 18261 5219 1 7 . 1 1 136 136 SER C C 136 173.325 173.325 173.012 0.313 18261 5220 1 7 . 1 1 136 136 SER CA C 136 58.342 58.342 57.949 0.393 18261 5221 1 7 . 1 1 136 136 SER CB C 136 64.041 64.041 64.987 -0.946 18261 5222 1 7 . 1 1 136 136 SER H H 136 8.410 8.410 7.737 0.673 18261 5223 1 8 . 1 1 3 3 GLY CA C 3 45.200 45.200 45.217 -0.017 18261 5224 1 8 . 1 1 4 4 ASN N N 4 124.083 124.083 118.676 5.407 18261 5225 1 8 . 1 1 4 4 ASN HA H 4 4.530 4.530 4.955 -0.425 18261 5226 1 8 . 1 1 4 4 ASN C C 4 179.449 179.449 175.561 3.888 18261 5227 1 8 . 1 1 4 4 ASN CA C 4 54.803 54.803 53.571 1.232 18261 5228 1 8 . 1 1 4 4 ASN CB C 4 41.106 41.106 40.862 0.244 18261 5229 1 8 . 1 1 4 4 ASN H H 4 7.981 7.981 8.147 -0.166 18261 5230 1 8 . 1 1 6 6 HIS HA H 6 4.693 4.693 4.746 -0.053 18261 5231 1 8 . 1 1 6 6 HIS CA C 6 56.115 56.115 54.855 1.260 18261 5232 1 8 . 1 1 6 6 HIS CB C 6 31.011 31.011 28.881 2.130 18261 5233 1 8 . 1 1 7 7 THR N N 7 115.238 115.238 124.138 -8.900 18261 5234 1 8 . 1 1 7 7 THR HA H 7 4.318 4.318 4.147 0.171 18261 5235 1 8 . 1 1 7 7 THR C C 7 173.970 173.970 173.826 0.144 18261 5236 1 8 . 1 1 7 7 THR CA C 7 62.099 62.099 63.271 -1.172 18261 5237 1 8 . 1 1 7 7 THR CB C 7 69.779 69.779 68.498 1.281 18261 5238 1 8 . 1 1 7 7 THR H H 7 8.120 8.120 7.826 0.294 18261 5239 1 8 . 1 1 8 8 THR N N 8 115.713 115.713 122.168 -6.455 18261 5240 1 8 . 1 1 8 8 THR HA H 8 4.146 4.146 4.389 -0.243 18261 5241 1 8 . 1 1 8 8 THR C C 8 172.664 172.664 172.957 -0.293 18261 5242 1 8 . 1 1 8 8 THR CA C 8 58.349 58.349 58.669 -0.320 18261 5243 1 8 . 1 1 8 8 THR CB C 8 69.219 69.219 70.899 -1.680 18261 5244 1 8 . 1 1 8 8 THR H H 8 7.977 7.977 7.805 0.172 18261 5245 1 8 . 1 1 9 9 PRO HA H 9 3.939 3.939 3.804 0.135 18261 5246 1 8 . 1 1 9 9 PRO CA C 9 62.965 62.965 64.020 -1.055 18261 5247 1 8 . 1 1 9 9 PRO CB C 9 30.610 30.610 30.707 -0.097 18261 5248 1 8 . 1 1 10 10 TRP N N 10 111.487 111.487 114.768 -3.281 18261 5249 1 8 . 1 1 10 10 TRP HA H 10 4.899 4.899 4.593 0.306 18261 5250 1 8 . 1 1 10 10 TRP C C 10 175.817 175.817 176.519 -0.702 18261 5251 1 8 . 1 1 10 10 TRP CA C 10 54.292 54.292 55.280 -0.988 18261 5252 1 8 . 1 1 10 10 TRP CB C 10 31.219 31.219 28.614 2.605 18261 5253 1 8 . 1 1 10 10 TRP H H 10 6.681 6.681 7.007 -0.326 18261 5254 1 8 . 1 1 11 11 THR N N 11 106.120 106.120 112.541 -6.421 18261 5255 1 8 . 1 1 11 11 THR HA H 11 3.905 3.905 4.083 -0.178 18261 5256 1 8 . 1 1 11 11 THR C C 11 173.970 173.970 174.826 -0.856 18261 5257 1 8 . 1 1 11 11 THR CA C 11 63.937 63.937 63.778 0.159 18261 5258 1 8 . 1 1 11 11 THR CB C 11 69.242 69.242 69.166 0.076 18261 5259 1 8 . 1 1 11 11 THR H H 11 7.189 7.189 7.345 -0.156 18261 5260 1 8 . 1 1 12 12 ASN N N 12 116.403 116.403 117.795 -1.392 18261 5261 1 8 . 1 1 12 12 ASN HA H 12 5.115 5.115 5.125 -0.010 18261 5262 1 8 . 1 1 12 12 ASN C C 12 172.889 172.889 173.881 -0.992 18261 5263 1 8 . 1 1 12 12 ASN CA C 12 51.276 51.276 50.139 1.137 18261 5264 1 8 . 1 1 12 12 ASN CB C 12 40.474 40.474 40.580 -0.106 18261 5265 1 8 . 1 1 12 12 ASN H H 12 7.282 7.282 7.930 -0.648 18261 5266 1 8 . 1 1 13 13 PRO HA H 13 4.210 4.210 4.376 -0.166 18261 5267 1 8 . 1 1 13 13 PRO CA C 13 65.516 65.516 66.010 -0.494 18261 5268 1 8 . 1 1 13 13 PRO CB C 13 32.418 32.418 31.946 0.472 18261 5269 1 8 . 1 1 14 14 GLY N N 14 108.796 108.796 106.169 2.627 18261 5270 1 8 . 1 1 14 14 GLY C C 14 175.952 175.952 176.581 -0.629 18261 5271 1 8 . 1 1 14 14 GLY CA C 14 47.073 47.073 46.703 0.370 18261 5272 1 8 . 1 1 14 14 GLY H H 14 8.363 8.363 8.448 -0.085 18261 5273 1 8 . 1 1 15 15 LEU N N 15 124.473 124.473 123.765 0.708 18261 5274 1 8 . 1 1 15 15 LEU HA H 15 4.335 4.335 4.101 0.234 18261 5275 1 8 . 1 1 15 15 LEU C C 15 178.564 178.564 178.805 -0.241 18261 5276 1 8 . 1 1 15 15 LEU CA C 15 57.402 57.402 57.565 -0.162 18261 5277 1 8 . 1 1 15 15 LEU CB C 15 41.600 41.600 41.192 0.408 18261 5278 1 8 . 1 1 15 15 LEU H H 15 7.890 7.890 7.755 0.135 18261 5279 1 8 . 1 1 16 16 ALA N N 16 121.371 121.371 121.207 0.164 18261 5280 1 8 . 1 1 16 16 ALA HA H 16 4.000 4.000 3.959 0.041 18261 5281 1 8 . 1 1 16 16 ALA C C 16 179.104 179.104 179.780 -0.676 18261 5282 1 8 . 1 1 16 16 ALA CA C 16 56.360 56.360 55.354 1.006 18261 5283 1 8 . 1 1 16 16 ALA CB C 16 19.351 19.351 18.256 1.095 18261 5284 1 8 . 1 1 16 16 ALA H H 16 8.429 8.429 8.173 0.256 18261 5285 1 8 . 1 1 17 17 GLU N N 17 117.199 117.199 119.326 -2.127 18261 5286 1 8 . 1 1 17 17 GLU HA H 17 3.964 3.964 4.026 -0.062 18261 5287 1 8 . 1 1 17 17 GLU C C 17 177.993 177.993 178.927 -0.934 18261 5288 1 8 . 1 1 17 17 GLU CA C 17 59.543 59.543 59.339 0.204 18261 5289 1 8 . 1 1 17 17 GLU CB C 17 29.932 29.932 29.477 0.455 18261 5290 1 8 . 1 1 17 17 GLU H H 17 8.030 8.030 8.301 -0.271 18261 5291 1 8 . 1 1 18 18 ASN N N 18 118.433 118.433 118.158 0.275 18261 5292 1 8 . 1 1 18 18 ASN HA H 18 4.546 4.546 4.510 0.036 18261 5293 1 8 . 1 1 18 18 ASN C C 18 178.347 178.347 177.930 0.417 18261 5294 1 8 . 1 1 18 18 ASN CA C 18 56.226 56.226 55.831 0.395 18261 5295 1 8 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.346 -0.223 18261 5296 1 8 . 1 1 18 18 ASN H H 18 8.075 8.075 8.189 -0.114 18261 5297 1 8 . 1 1 19 19 PHE N N 19 122.078 122.078 124.015 -1.937 18261 5298 1 8 . 1 1 19 19 PHE HA H 19 3.881 3.881 4.144 -0.263 18261 5299 1 8 . 1 1 19 19 PHE C C 19 176.837 176.837 177.124 -0.287 18261 5300 1 8 . 1 1 19 19 PHE CA C 19 62.230 62.230 61.859 0.371 18261 5301 1 8 . 1 1 19 19 PHE CB C 19 39.450 39.450 39.148 0.302 18261 5302 1 8 . 1 1 19 19 PHE H H 19 9.623 9.623 8.747 0.876 18261 5303 1 8 . 1 1 20 20 MET N N 20 118.264 118.264 117.388 0.876 18261 5304 1 8 . 1 1 20 20 MET HA H 20 4.424 4.424 4.158 0.266 18261 5305 1 8 . 1 1 20 20 MET C C 20 178.924 178.924 178.881 0.043 18261 5306 1 8 . 1 1 20 20 MET CA C 20 57.480 57.480 57.317 0.163 18261 5307 1 8 . 1 1 20 20 MET CB C 20 31.929 31.929 31.157 0.772 18261 5308 1 8 . 1 1 20 20 MET H H 20 8.865 8.865 8.668 0.197 18261 5309 1 8 . 1 1 21 21 ASN N N 21 118.455 118.455 118.863 -0.408 18261 5310 1 8 . 1 1 21 21 ASN HA H 21 4.542 4.542 4.421 0.121 18261 5311 1 8 . 1 1 21 21 ASN C C 21 178.249 178.249 177.759 0.490 18261 5312 1 8 . 1 1 21 21 ASN CA C 21 56.305 56.305 57.137 -0.832 18261 5313 1 8 . 1 1 21 21 ASN CB C 21 37.916 37.916 38.484 -0.568 18261 5314 1 8 . 1 1 21 21 ASN H H 21 8.453 8.453 8.458 -0.005 18261 5315 1 8 . 1 1 22 22 SER N N 22 116.036 116.036 115.477 0.559 18261 5316 1 8 . 1 1 22 22 SER HA H 22 4.196 4.196 4.231 -0.035 18261 5317 1 8 . 1 1 22 22 SER C C 22 178.143 178.143 176.568 1.575 18261 5318 1 8 . 1 1 22 22 SER CA C 22 62.256 62.256 60.686 1.570 18261 5319 1 8 . 1 1 22 22 SER CB C 22 62.870 62.870 62.843 0.027 18261 5320 1 8 . 1 1 22 22 SER H H 22 7.959 7.959 8.205 -0.246 18261 5321 1 8 . 1 1 23 23 PHE N N 23 124.987 124.987 124.749 0.238 18261 5322 1 8 . 1 1 23 23 PHE HA H 23 4.005 4.005 4.089 -0.084 18261 5323 1 8 . 1 1 23 23 PHE C C 23 175.652 175.652 177.238 -1.586 18261 5324 1 8 . 1 1 23 23 PHE CA C 23 60.525 60.525 61.029 -0.504 18261 5325 1 8 . 1 1 23 23 PHE CB C 23 38.899 38.899 38.743 0.156 18261 5326 1 8 . 1 1 23 23 PHE H H 23 9.045 9.045 8.405 0.640 18261 5327 1 8 . 1 1 24 24 MET N N 24 117.260 117.260 116.788 0.472 18261 5328 1 8 . 1 1 24 24 MET HA H 24 4.040 4.040 3.728 0.312 18261 5329 1 8 . 1 1 24 24 MET C C 24 179.797 179.797 178.438 1.359 18261 5330 1 8 . 1 1 24 24 MET CA C 24 56.047 56.047 56.813 -0.766 18261 5331 1 8 . 1 1 24 24 MET CB C 24 30.308 30.308 31.235 -0.927 18261 5332 1 8 . 1 1 24 24 MET H H 24 8.302 8.302 8.323 -0.021 18261 5333 1 8 . 1 1 25 25 GLN N N 25 120.167 120.167 118.069 2.098 18261 5334 1 8 . 1 1 25 25 GLN HA H 25 3.985 3.985 4.097 -0.112 18261 5335 1 8 . 1 1 25 25 GLN C C 25 179.870 179.870 178.504 1.366 18261 5336 1 8 . 1 1 25 25 GLN CA C 25 59.136 59.136 58.594 0.542 18261 5337 1 8 . 1 1 25 25 GLN CB C 25 28.234 28.234 28.090 0.144 18261 5338 1 8 . 1 1 25 25 GLN H H 25 8.038 8.038 7.844 0.194 18261 5339 1 8 . 1 1 26 26 GLY N N 26 107.636 107.636 106.097 1.539 18261 5340 1 8 . 1 1 26 26 GLY C C 26 176.387 176.387 175.853 0.534 18261 5341 1 8 . 1 1 26 26 GLY CA C 26 46.911 46.911 45.217 1.694 18261 5342 1 8 . 1 1 26 26 GLY H H 26 8.095 8.095 7.646 0.449 18261 5343 1 8 . 1 1 27 27 LEU N N 27 122.877 122.877 123.697 -0.820 18261 5344 1 8 . 1 1 27 27 LEU HA H 27 3.783 3.783 3.996 -0.213 18261 5345 1 8 . 1 1 27 27 LEU C C 27 178.564 178.564 178.553 0.011 18261 5346 1 8 . 1 1 27 27 LEU CA C 27 57.262 57.262 56.826 0.436 18261 5347 1 8 . 1 1 27 27 LEU CB C 27 42.076 42.076 41.584 0.492 18261 5348 1 8 . 1 1 27 27 LEU H H 27 8.369 8.369 7.967 0.402 18261 5349 1 8 . 1 1 28 28 SER N N 28 109.474 109.474 114.157 -4.683 18261 5350 1 8 . 1 1 28 28 SER HA H 28 4.138 4.138 4.180 -0.042 18261 5351 1 8 . 1 1 28 28 SER C C 28 174.421 174.421 175.398 -0.977 18261 5352 1 8 . 1 1 28 28 SER CA C 28 61.153 61.153 61.174 -0.021 18261 5353 1 8 . 1 1 28 28 SER CB C 28 63.320 63.320 62.932 0.388 18261 5354 1 8 . 1 1 28 28 SER H H 28 7.527 7.527 8.257 -0.730 18261 5355 1 8 . 1 1 29 29 SER N N 29 114.550 114.550 115.054 -0.504 18261 5356 1 8 . 1 1 29 29 SER HA H 29 4.734 4.734 4.592 0.142 18261 5357 1 8 . 1 1 29 29 SER C C 29 173.970 173.970 174.241 -0.271 18261 5358 1 8 . 1 1 29 29 SER CA C 29 57.927 57.927 58.172 -0.245 18261 5359 1 8 . 1 1 29 29 SER CB C 29 64.500 64.500 63.846 0.654 18261 5360 1 8 . 1 1 29 29 SER H H 29 7.449 7.449 7.484 -0.035 18261 5361 1 8 . 1 1 30 30 MET N N 30 122.420 122.420 122.961 -0.541 18261 5362 1 8 . 1 1 30 30 MET HA H 30 4.952 4.952 4.824 0.128 18261 5363 1 8 . 1 1 30 30 MET C C 30 174.195 174.195 174.116 0.079 18261 5364 1 8 . 1 1 30 30 MET CA C 30 53.638 53.638 51.788 1.851 18261 5365 1 8 . 1 1 30 30 MET CB C 30 32.305 32.305 31.607 0.698 18261 5366 1 8 . 1 1 30 30 MET H H 30 7.674 7.674 7.743 -0.069 18261 5367 1 8 . 1 1 31 31 PRO HA H 31 4.669 4.669 4.463 0.206 18261 5368 1 8 . 1 1 31 31 PRO CA C 31 62.880 62.880 63.426 -0.546 18261 5369 1 8 . 1 1 31 31 PRO CB C 31 32.742 32.742 32.238 0.504 18261 5370 1 8 . 1 1 32 32 GLY N N 32 106.222 106.222 110.307 -4.085 18261 5371 1 8 . 1 1 32 32 GLY C C 32 172.454 172.454 173.823 -1.369 18261 5372 1 8 . 1 1 32 32 GLY CA C 32 45.608 45.608 44.666 0.942 18261 5373 1 8 . 1 1 32 32 GLY H H 32 8.415 8.415 8.501 -0.086 18261 5374 1 8 . 1 1 33 33 PHE N N 33 116.404 116.404 119.493 -3.089 18261 5375 1 8 . 1 1 33 33 PHE HA H 33 5.167 5.167 4.928 0.239 18261 5376 1 8 . 1 1 33 33 PHE C C 33 176.387 176.387 174.685 1.702 18261 5377 1 8 . 1 1 33 33 PHE CA C 33 56.750 56.750 56.985 -0.235 18261 5378 1 8 . 1 1 33 33 PHE CB C 33 42.080 42.080 41.766 0.315 18261 5379 1 8 . 1 1 33 33 PHE H H 33 7.871 7.871 7.505 0.366 18261 5380 1 8 . 1 1 34 34 THR N N 34 113.684 113.684 112.366 1.318 18261 5381 1 8 . 1 1 34 34 THR HA H 34 4.545 4.545 4.630 -0.085 18261 5382 1 8 . 1 1 34 34 THR C C 34 175.066 175.066 174.744 0.322 18261 5383 1 8 . 1 1 34 34 THR CA C 34 60.339 60.339 59.241 1.098 18261 5384 1 8 . 1 1 34 34 THR CB C 34 70.381 70.381 70.860 -0.479 18261 5385 1 8 . 1 1 34 34 THR H H 34 8.899 8.899 8.143 0.756 18261 5386 1 8 . 1 1 35 35 ALA N N 35 122.927 122.927 126.146 -3.219 18261 5387 1 8 . 1 1 35 35 ALA HA H 35 4.092 4.092 3.991 0.101 18261 5388 1 8 . 1 1 35 35 ALA C C 35 180.755 180.755 179.147 1.608 18261 5389 1 8 . 1 1 35 35 ALA CA C 35 55.827 55.827 55.233 0.594 18261 5390 1 8 . 1 1 35 35 ALA CB C 35 18.098 18.098 18.811 -0.713 18261 5391 1 8 . 1 1 35 35 ALA H H 35 8.864 8.864 8.739 0.125 18261 5392 1 8 . 1 1 36 36 SER N N 36 112.708 112.708 113.520 -0.812 18261 5393 1 8 . 1 1 36 36 SER HA H 36 4.276 4.276 4.023 0.253 18261 5394 1 8 . 1 1 36 36 SER C C 36 177.033 177.033 176.748 0.285 18261 5395 1 8 . 1 1 36 36 SER CA C 36 61.403 61.403 61.563 -0.160 18261 5396 1 8 . 1 1 36 36 SER CB C 36 62.371 62.371 63.053 -0.683 18261 5397 1 8 . 1 1 36 36 SER H H 36 8.389 8.389 7.847 0.542 18261 5398 1 8 . 1 1 37 37 GLN N N 37 121.595 121.595 120.682 0.913 18261 5399 1 8 . 1 1 37 37 GLN HA H 37 4.272 4.272 4.159 0.113 18261 5400 1 8 . 1 1 37 37 GLN C C 37 179.149 179.149 178.270 0.879 18261 5401 1 8 . 1 1 37 37 GLN CA C 37 58.638 58.638 58.437 0.201 18261 5402 1 8 . 1 1 37 37 GLN CB C 37 29.123 29.123 29.052 0.071 18261 5403 1 8 . 1 1 37 37 GLN H H 37 7.621 7.621 7.680 -0.059 18261 5404 1 8 . 1 1 38 38 LEU N N 38 119.852 119.852 121.104 -1.252 18261 5405 1 8 . 1 1 38 38 LEU HA H 38 3.838 3.838 3.897 -0.059 18261 5406 1 8 . 1 1 38 38 LEU C C 38 179.675 179.675 178.472 1.203 18261 5407 1 8 . 1 1 38 38 LEU CA C 38 57.929 57.929 57.662 0.267 18261 5408 1 8 . 1 1 38 38 LEU CB C 38 40.918 40.918 41.487 -0.569 18261 5409 1 8 . 1 1 38 38 LEU H H 38 8.341 8.341 8.483 -0.142 18261 5410 1 8 . 1 1 39 39 ASP N N 39 122.065 122.065 120.333 1.732 18261 5411 1 8 . 1 1 39 39 ASP HA H 39 4.439 4.439 4.228 0.211 18261 5412 1 8 . 1 1 39 39 ASP C C 39 179.224 179.224 178.374 0.850 18261 5413 1 8 . 1 1 39 39 ASP CA C 39 57.710 57.710 58.192 -0.482 18261 5414 1 8 . 1 1 39 39 ASP CB C 39 40.245 40.245 40.696 -0.451 18261 5415 1 8 . 1 1 39 39 ASP H H 39 7.955 7.955 8.437 -0.482 18261 5416 1 8 . 1 1 40 40 ASP N N 40 121.957 121.957 119.656 2.301 18261 5417 1 8 . 1 1 40 40 ASP HA H 40 4.483 4.483 4.401 0.082 18261 5418 1 8 . 1 1 40 40 ASP C C 40 179.600 179.600 178.625 0.975 18261 5419 1 8 . 1 1 40 40 ASP CA C 40 57.745 57.745 57.327 0.418 18261 5420 1 8 . 1 1 40 40 ASP CB C 40 40.190 40.190 40.819 -0.629 18261 5421 1 8 . 1 1 40 40 ASP H H 40 8.022 8.022 7.583 0.439 18261 5422 1 8 . 1 1 41 41 MET N N 41 121.160 121.160 120.352 0.808 18261 5423 1 8 . 1 1 41 41 MET HA H 41 4.204 4.204 4.063 0.141 18261 5424 1 8 . 1 1 41 41 MET C C 41 177.693 177.693 177.913 -0.220 18261 5425 1 8 . 1 1 41 41 MET CA C 41 57.634 57.634 59.068 -1.433 18261 5426 1 8 . 1 1 41 41 MET CB C 41 31.422 31.422 32.595 -1.173 18261 5427 1 8 . 1 1 41 41 MET H H 41 8.668 8.668 7.685 0.983 18261 5428 1 8 . 1 1 42 42 SER N N 42 116.421 116.421 114.804 1.617 18261 5429 1 8 . 1 1 42 42 SER HA H 42 4.304 4.304 4.212 0.092 18261 5430 1 8 . 1 1 42 42 SER C C 42 177.483 177.483 176.879 0.604 18261 5431 1 8 . 1 1 42 42 SER CA C 42 62.075 62.075 62.184 -0.109 18261 5432 1 8 . 1 1 42 42 SER CB C 42 62.765 62.765 63.113 -0.348 18261 5433 1 8 . 1 1 42 42 SER H H 42 8.375 8.375 8.434 -0.059 18261 5434 1 8 . 1 1 43 43 THR N N 43 118.797 118.797 118.750 0.047 18261 5435 1 8 . 1 1 43 43 THR HA H 43 4.042 4.042 4.069 -0.027 18261 5436 1 8 . 1 1 43 43 THR C C 43 177.258 177.258 176.563 0.695 18261 5437 1 8 . 1 1 43 43 THR CA C 43 66.584 66.584 66.853 -0.269 18261 5438 1 8 . 1 1 43 43 THR CB C 43 68.490 68.490 68.559 -0.069 18261 5439 1 8 . 1 1 43 43 THR H H 43 7.928 7.928 7.724 0.204 18261 5440 1 8 . 1 1 44 44 ILE N N 44 122.960 122.960 121.369 1.591 18261 5441 1 8 . 1 1 44 44 ILE HA H 44 3.930 3.930 3.830 0.100 18261 5442 1 8 . 1 1 44 44 ILE C C 44 178.564 178.564 178.007 0.557 18261 5443 1 8 . 1 1 44 44 ILE CA C 44 64.483 64.483 62.359 2.124 18261 5444 1 8 . 1 1 44 44 ILE CB C 44 38.015 38.015 36.524 1.491 18261 5445 1 8 . 1 1 44 44 ILE H H 44 7.863 7.863 8.084 -0.221 18261 5446 1 8 . 1 1 45 45 ALA N N 45 124.792 124.792 121.925 2.867 18261 5447 1 8 . 1 1 45 45 ALA HA H 45 4.122 4.122 4.006 0.116 18261 5448 1 8 . 1 1 45 45 ALA C C 45 179.404 179.404 179.633 -0.229 18261 5449 1 8 . 1 1 45 45 ALA CA C 45 56.009 56.009 55.150 0.859 18261 5450 1 8 . 1 1 45 45 ALA CB C 45 18.908 18.908 18.418 0.490 18261 5451 1 8 . 1 1 45 45 ALA H H 45 8.853 8.853 8.219 0.634 18261 5452 1 8 . 1 1 46 46 GLN N N 46 116.307 116.307 116.928 -0.621 18261 5453 1 8 . 1 1 46 46 GLN HA H 46 4.068 4.068 4.455 -0.387 18261 5454 1 8 . 1 1 46 46 GLN C C 46 179.014 179.014 178.650 0.364 18261 5455 1 8 . 1 1 46 46 GLN CA C 46 58.903 58.903 57.942 0.961 18261 5456 1 8 . 1 1 46 46 GLN CB C 46 28.250 28.250 28.079 0.171 18261 5457 1 8 . 1 1 46 46 GLN H H 46 8.238 8.238 8.050 0.188 18261 5458 1 8 . 1 1 47 47 SER N N 47 115.959 115.959 113.934 2.025 18261 5459 1 8 . 1 1 47 47 SER HA H 47 4.261 4.261 4.214 0.047 18261 5460 1 8 . 1 1 47 47 SER C C 47 177.483 177.483 174.531 2.952 18261 5461 1 8 . 1 1 47 47 SER CA C 47 61.526 61.526 60.690 0.836 18261 5462 1 8 . 1 1 47 47 SER CB C 47 62.842 62.842 62.705 0.137 18261 5463 1 8 . 1 1 47 47 SER H H 47 8.223 8.223 7.812 0.411 18261 5464 1 8 . 1 1 48 48 MET N N 48 121.963 121.963 119.032 2.931 18261 5465 1 8 . 1 1 48 48 MET HA H 48 4.110 4.110 4.260 -0.150 18261 5466 1 8 . 1 1 48 48 MET C C 48 177.798 177.798 177.165 0.633 18261 5467 1 8 . 1 1 48 48 MET CA C 48 57.531 57.531 56.951 0.580 18261 5468 1 8 . 1 1 48 48 MET CB C 48 31.169 31.169 32.785 -1.616 18261 5469 1 8 . 1 1 48 48 MET H H 48 8.245 8.245 7.342 0.903 18261 5470 1 8 . 1 1 49 49 VAL N N 49 119.045 119.045 120.000 -0.955 18261 5471 1 8 . 1 1 49 49 VAL HA H 49 3.300 3.300 3.562 -0.262 18261 5472 1 8 . 1 1 49 49 VAL C C 49 177.910 177.910 178.330 -0.420 18261 5473 1 8 . 1 1 49 49 VAL CA C 49 67.811 67.811 67.355 0.456 18261 5474 1 8 . 1 1 49 49 VAL CB C 49 31.370 31.370 31.375 -0.005 18261 5475 1 8 . 1 1 49 49 VAL H H 49 7.809 7.809 8.456 -0.647 18261 5476 1 8 . 1 1 50 50 GLN N N 50 118.357 118.357 116.797 1.560 18261 5477 1 8 . 1 1 50 50 GLN HA H 50 4.091 4.091 3.953 0.138 18261 5478 1 8 . 1 1 50 50 GLN C C 50 179.449 179.449 178.029 1.420 18261 5479 1 8 . 1 1 50 50 GLN CA C 50 59.056 59.056 57.996 1.060 18261 5480 1 8 . 1 1 50 50 GLN CB C 50 28.020 28.020 27.757 0.263 18261 5481 1 8 . 1 1 50 50 GLN H H 50 8.225 8.225 7.896 0.329 18261 5482 1 8 . 1 1 51 51 SER N N 51 117.253 117.253 115.024 2.229 18261 5483 1 8 . 1 1 51 51 SER HA H 51 4.235 4.235 4.252 -0.017 18261 5484 1 8 . 1 1 51 51 SER C C 51 176.374 176.374 176.351 0.023 18261 5485 1 8 . 1 1 51 51 SER CA C 51 62.752 62.752 61.153 1.599 18261 5486 1 8 . 1 1 51 51 SER CB C 51 62.963 62.963 62.659 0.304 18261 5487 1 8 . 1 1 51 51 SER H H 51 8.328 8.328 7.313 1.015 18261 5488 1 8 . 1 1 52 52 ILE N N 52 123.114 123.114 122.549 0.565 18261 5489 1 8 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.630 -0.031 18261 5490 1 8 . 1 1 52 52 ILE C C 52 178.684 178.684 177.714 0.970 18261 5491 1 8 . 1 1 52 52 ILE CA C 52 64.736 64.736 65.041 -0.305 18261 5492 1 8 . 1 1 52 52 ILE CB C 52 37.838 37.838 37.412 0.426 18261 5493 1 8 . 1 1 52 52 ILE H H 52 8.147 8.147 7.589 0.558 18261 5494 1 8 . 1 1 53 53 GLN N N 53 120.011 120.011 119.381 0.630 18261 5495 1 8 . 1 1 53 53 GLN HA H 53 3.946 3.946 4.041 -0.095 18261 5496 1 8 . 1 1 53 53 GLN C C 53 179.014 179.014 177.716 1.298 18261 5497 1 8 . 1 1 53 53 GLN CA C 53 59.501 59.501 58.785 0.716 18261 5498 1 8 . 1 1 53 53 GLN CB C 53 27.901 27.901 28.099 -0.198 18261 5499 1 8 . 1 1 53 53 GLN H H 53 8.583 8.583 8.193 0.390 18261 5500 1 8 . 1 1 54 54 SER N N 54 115.479 115.479 113.775 1.704 18261 5501 1 8 . 1 1 54 54 SER HA H 54 4.302 4.302 4.458 -0.156 18261 5502 1 8 . 1 1 54 54 SER C C 54 176.822 176.822 175.882 0.940 18261 5503 1 8 . 1 1 54 54 SER CA C 54 61.492 61.492 60.504 0.988 18261 5504 1 8 . 1 1 54 54 SER CB C 54 62.880 62.880 63.966 -1.086 18261 5505 1 8 . 1 1 54 54 SER H H 54 8.271 8.271 7.609 0.662 18261 5506 1 8 . 1 1 55 55 LEU N N 55 121.519 121.519 123.666 -2.147 18261 5507 1 8 . 1 1 55 55 LEU HA H 55 4.068 4.068 4.017 0.051 18261 5508 1 8 . 1 1 55 55 LEU C C 55 179.434 179.434 177.417 2.017 18261 5509 1 8 . 1 1 55 55 LEU CA C 55 57.793 57.793 57.938 -0.145 18261 5510 1 8 . 1 1 55 55 LEU CB C 55 42.245 42.245 41.822 0.423 18261 5511 1 8 . 1 1 55 55 LEU H H 55 7.974 7.974 8.327 -0.353 18261 5512 1 8 . 1 1 56 56 ALA N N 56 121.040 121.040 117.735 3.305 18261 5513 1 8 . 1 1 56 56 ALA HA H 56 4.228 4.228 4.539 -0.311 18261 5514 1 8 . 1 1 56 56 ALA C C 56 180.530 180.530 177.987 2.543 18261 5515 1 8 . 1 1 56 56 ALA CA C 56 54.331 54.331 53.114 1.217 18261 5516 1 8 . 1 1 56 56 ALA CB C 56 18.075 18.075 18.726 -0.651 18261 5517 1 8 . 1 1 56 56 ALA H H 56 8.032 8.032 8.027 0.005 18261 5518 1 8 . 1 1 57 57 ALA N N 57 121.325 121.325 120.702 0.623 18261 5519 1 8 . 1 1 57 57 ALA HA H 57 4.219 4.219 4.315 -0.096 18261 5520 1 8 . 1 1 57 57 ALA C C 57 179.344 179.344 179.083 0.261 18261 5521 1 8 . 1 1 57 57 ALA CA C 57 54.446 54.446 53.866 0.580 18261 5522 1 8 . 1 1 57 57 ALA CB C 57 18.470 18.470 19.530 -1.060 18261 5523 1 8 . 1 1 57 57 ALA H H 57 8.030 8.030 7.483 0.547 18261 5524 1 8 . 1 1 58 58 GLN N N 58 114.257 114.257 116.790 -2.533 18261 5525 1 8 . 1 1 58 58 GLN HA H 58 4.356 4.356 4.359 -0.003 18261 5526 1 8 . 1 1 58 58 GLN C C 58 176.612 176.612 176.451 0.161 18261 5527 1 8 . 1 1 58 58 GLN CA C 58 55.957 55.957 55.477 0.480 18261 5528 1 8 . 1 1 58 58 GLN CB C 58 29.767 29.767 29.503 0.264 18261 5529 1 8 . 1 1 58 58 GLN H H 58 7.751 7.751 8.152 -0.401 18261 5530 1 8 . 1 1 59 59 GLY N N 59 108.304 108.304 107.690 0.614 18261 5531 1 8 . 1 1 59 59 GLY C C 59 174.856 174.856 174.625 0.231 18261 5532 1 8 . 1 1 59 59 GLY CA C 59 46.197 46.197 45.585 0.612 18261 5533 1 8 . 1 1 59 59 GLY H H 59 7.910 7.910 7.776 0.134 18261 5534 1 8 . 1 1 60 60 ARG N N 60 118.258 118.258 117.195 1.063 18261 5535 1 8 . 1 1 60 60 ARG HA H 60 4.553 4.553 4.526 0.027 18261 5536 1 8 . 1 1 60 60 ARG C C 60 175.847 175.847 175.359 0.488 18261 5537 1 8 . 1 1 60 60 ARG CA C 60 55.658 55.658 54.811 0.847 18261 5538 1 8 . 1 1 60 60 ARG CB C 60 31.714 31.714 31.571 0.143 18261 5539 1 8 . 1 1 60 60 ARG H H 60 8.108 8.108 8.134 -0.026 18261 5540 1 8 . 1 1 61 61 THR N N 61 115.924 115.924 117.142 -1.218 18261 5541 1 8 . 1 1 61 61 THR HA H 61 4.785 4.785 4.370 0.415 18261 5542 1 8 . 1 1 61 61 THR C C 61 173.654 173.654 174.174 -0.520 18261 5543 1 8 . 1 1 61 61 THR CA C 61 63.140 63.140 62.920 0.220 18261 5544 1 8 . 1 1 61 61 THR CB C 61 68.602 68.602 68.778 -0.176 18261 5545 1 8 . 1 1 61 61 THR H H 61 7.970 7.970 8.068 -0.098 18261 5546 1 8 . 1 1 62 62 SER N N 62 119.666 119.666 123.180 -3.514 18261 5547 1 8 . 1 1 62 62 SER HA H 62 4.902 4.902 4.883 0.019 18261 5548 1 8 . 1 1 62 62 SER C C 62 173.207 173.207 173.982 -0.775 18261 5549 1 8 . 1 1 62 62 SER CA C 62 56.193 56.193 55.664 0.529 18261 5550 1 8 . 1 1 62 62 SER CB C 62 63.781 63.781 63.473 0.308 18261 5551 1 8 . 1 1 62 62 SER H H 62 7.788 7.788 8.094 -0.306 18261 5552 1 8 . 1 1 63 63 PRO HA H 63 4.313 4.313 4.249 0.064 18261 5553 1 8 . 1 1 63 63 PRO CA C 63 65.746 65.746 65.673 0.073 18261 5554 1 8 . 1 1 63 63 PRO CB C 63 32.147 32.147 32.094 0.053 18261 5555 1 8 . 1 1 64 64 ASN HA H 64 4.550 4.550 4.473 0.077 18261 5556 1 8 . 1 1 64 64 ASN CA C 64 56.202 56.202 56.097 0.104 18261 5557 1 8 . 1 1 64 64 ASN CB C 64 38.000 38.000 38.294 -0.294 18261 5558 1 8 . 1 1 65 65 LYS N N 65 120.530 120.530 120.009 0.521 18261 5559 1 8 . 1 1 65 65 LYS HA H 65 4.197 4.197 4.101 0.096 18261 5560 1 8 . 1 1 65 65 LYS C C 65 178.999 178.999 179.053 -0.054 18261 5561 1 8 . 1 1 65 65 LYS CA C 65 58.250 58.250 59.339 -1.089 18261 5562 1 8 . 1 1 65 65 LYS CB C 65 32.498 32.498 32.471 0.027 18261 5563 1 8 . 1 1 65 65 LYS H H 65 7.770 7.770 7.989 -0.219 18261 5564 1 8 . 1 1 66 66 LEU N N 66 118.804 118.804 119.148 -0.344 18261 5565 1 8 . 1 1 66 66 LEU HA H 66 4.070 4.070 4.271 -0.201 18261 5566 1 8 . 1 1 66 66 LEU C C 66 178.928 178.928 179.159 -0.231 18261 5567 1 8 . 1 1 66 66 LEU CA C 66 57.928 57.928 56.993 0.935 18261 5568 1 8 . 1 1 66 66 LEU CB C 66 41.329 41.329 40.505 0.824 18261 5569 1 8 . 1 1 66 66 LEU H H 66 7.932 7.932 7.694 0.238 18261 5570 1 8 . 1 1 67 67 GLN N N 67 119.307 119.307 119.536 -0.229 18261 5571 1 8 . 1 1 67 67 GLN HA H 67 4.224 4.224 4.268 -0.044 18261 5572 1 8 . 1 1 67 67 GLN C C 67 178.789 178.789 178.849 -0.060 18261 5573 1 8 . 1 1 67 67 GLN CA C 67 58.862 58.862 58.972 -0.110 18261 5574 1 8 . 1 1 67 67 GLN CB C 67 28.052 28.052 28.757 -0.705 18261 5575 1 8 . 1 1 67 67 GLN H H 67 8.160 8.160 8.004 0.156 18261 5576 1 8 . 1 1 68 68 ALA N N 68 122.124 122.124 122.826 -0.702 18261 5577 1 8 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.179 0.011 18261 5578 1 8 . 1 1 68 68 ALA C C 68 180.320 180.320 179.319 1.001 18261 5579 1 8 . 1 1 68 68 ALA CA C 68 55.282 55.282 54.854 0.428 18261 5580 1 8 . 1 1 68 68 ALA CB C 68 18.251 18.251 18.445 -0.194 18261 5581 1 8 . 1 1 68 68 ALA H H 68 7.844 7.844 8.066 -0.222 18261 5582 1 8 . 1 1 69 69 LEU N N 69 119.481 119.481 117.440 2.041 18261 5583 1 8 . 1 1 69 69 LEU HA H 69 3.912 3.912 3.898 0.014 18261 5584 1 8 . 1 1 69 69 LEU C C 69 178.864 178.864 178.370 0.494 18261 5585 1 8 . 1 1 69 69 LEU CA C 69 57.904 57.904 56.988 0.916 18261 5586 1 8 . 1 1 69 69 LEU CB C 69 41.052 41.052 41.096 -0.044 18261 5587 1 8 . 1 1 69 69 LEU H H 69 7.819 7.819 8.084 -0.265 18261 5588 1 8 . 1 1 70 70 ASN N N 70 119.633 119.633 118.679 0.954 18261 5589 1 8 . 1 1 70 70 ASN HA H 70 4.553 4.553 4.727 -0.174 18261 5590 1 8 . 1 1 70 70 ASN C C 70 177.483 177.483 177.619 -0.136 18261 5591 1 8 . 1 1 70 70 ASN CA C 70 57.125 57.125 56.882 0.243 18261 5592 1 8 . 1 1 70 70 ASN CB C 70 38.392 38.392 38.559 -0.167 18261 5593 1 8 . 1 1 70 70 ASN H H 70 8.265 8.265 7.855 0.410 18261 5594 1 8 . 1 1 71 71 MET N N 71 118.024 118.024 119.263 -1.239 18261 5595 1 8 . 1 1 71 71 MET HA H 71 4.201 4.201 4.363 -0.162 18261 5596 1 8 . 1 1 71 71 MET C C 71 178.279 178.279 178.552 -0.273 18261 5597 1 8 . 1 1 71 71 MET CA C 71 59.445 59.445 58.656 0.789 18261 5598 1 8 . 1 1 71 71 MET CB C 71 32.313 32.313 32.340 -0.027 18261 5599 1 8 . 1 1 71 71 MET H H 71 8.098 8.098 7.631 0.467 18261 5600 1 8 . 1 1 72 72 ARG N N 72 121.985 121.985 119.568 2.417 18261 5601 1 8 . 1 1 72 72 ARG HA H 72 3.981 3.981 4.107 -0.126 18261 5602 1 8 . 1 1 72 72 ARG C C 72 179.059 179.059 178.973 0.086 18261 5603 1 8 . 1 1 72 72 ARG CA C 72 59.058 59.058 58.087 0.971 18261 5604 1 8 . 1 1 72 72 ARG CB C 72 30.120 30.120 29.513 0.607 18261 5605 1 8 . 1 1 72 72 ARG H H 72 8.292 8.292 7.689 0.603 18261 5606 1 8 . 1 1 73 73 PHE N N 73 122.085 122.085 121.045 1.040 18261 5607 1 8 . 1 1 73 73 PHE HA H 73 4.529 4.529 4.116 0.413 18261 5608 1 8 . 1 1 73 73 PHE C C 73 177.258 177.258 176.467 0.791 18261 5609 1 8 . 1 1 73 73 PHE CA C 73 59.248 59.248 60.962 -1.714 18261 5610 1 8 . 1 1 73 73 PHE CB C 73 39.527 39.527 38.653 0.874 18261 5611 1 8 . 1 1 73 73 PHE H H 73 8.703 8.703 8.390 0.313 18261 5612 1 8 . 1 1 74 74 ALA N N 74 119.273 119.273 120.843 -1.570 18261 5613 1 8 . 1 1 74 74 ALA HA H 74 3.764 3.764 3.740 0.024 18261 5614 1 8 . 1 1 74 74 ALA C C 74 179.374 179.374 179.225 0.149 18261 5615 1 8 . 1 1 74 74 ALA CA C 74 55.324 55.324 54.960 0.364 18261 5616 1 8 . 1 1 74 74 ALA CB C 74 20.509 20.509 18.497 2.012 18261 5617 1 8 . 1 1 74 74 ALA H H 74 8.598 8.598 7.674 0.924 18261 5618 1 8 . 1 1 75 75 SER N N 75 113.611 113.611 114.018 -0.407 18261 5619 1 8 . 1 1 75 75 SER HA H 75 3.636 3.636 3.997 -0.361 18261 5620 1 8 . 1 1 75 75 SER CA C 75 61.936 61.936 61.109 0.827 18261 5621 1 8 . 1 1 75 75 SER CB C 75 61.869 61.869 62.425 -0.556 18261 5622 1 8 . 1 1 75 75 SER H H 75 8.780 8.780 8.228 0.552 18261 5623 1 8 . 1 1 76 76 SER N N 76 119.013 119.013 119.286 -0.273 18261 5624 1 8 . 1 1 76 76 SER HA H 76 4.310 4.310 4.398 -0.088 18261 5625 1 8 . 1 1 76 76 SER CA C 76 62.536 62.536 61.632 0.904 18261 5626 1 8 . 1 1 76 76 SER CB C 76 62.943 62.943 63.137 -0.194 18261 5627 1 8 . 1 1 76 76 SER H H 76 8.210 8.210 7.921 0.289 18261 5628 1 8 . 1 1 77 77 MET N N 77 120.105 120.105 120.816 -0.711 18261 5629 1 8 . 1 1 77 77 MET HA H 77 4.027 4.027 4.090 -0.063 18261 5630 1 8 . 1 1 77 77 MET C C 77 178.354 178.354 177.823 0.531 18261 5631 1 8 . 1 1 77 77 MET CA C 77 59.954 59.954 59.109 0.845 18261 5632 1 8 . 1 1 77 77 MET CB C 77 34.616 34.616 32.464 2.152 18261 5633 1 8 . 1 1 77 77 MET H H 77 8.005 8.005 7.365 0.640 18261 5634 1 8 . 1 1 78 78 ALA N N 78 121.530 121.530 123.031 -1.501 18261 5635 1 8 . 1 1 78 78 ALA HA H 78 3.933 3.933 4.056 -0.123 18261 5636 1 8 . 1 1 78 78 ALA C C 78 178.354 178.354 179.639 -1.285 18261 5637 1 8 . 1 1 78 78 ALA CA C 78 55.427 55.427 55.491 -0.064 18261 5638 1 8 . 1 1 78 78 ALA CB C 78 20.344 20.344 17.849 2.495 18261 5639 1 8 . 1 1 78 78 ALA H H 78 8.550 8.550 8.214 0.336 18261 5640 1 8 . 1 1 79 79 GLU N N 79 117.137 117.137 118.247 -1.110 18261 5641 1 8 . 1 1 79 79 GLU HA H 79 3.919 3.919 4.030 -0.111 18261 5642 1 8 . 1 1 79 79 GLU C C 79 178.894 178.894 179.224 -0.330 18261 5643 1 8 . 1 1 79 79 GLU CA C 79 59.445 59.445 59.442 0.003 18261 5644 1 8 . 1 1 79 79 GLU CB C 79 29.895 29.895 29.537 0.358 18261 5645 1 8 . 1 1 79 79 GLU H H 79 7.737 7.737 8.282 -0.545 18261 5646 1 8 . 1 1 80 80 ILE N N 80 118.063 118.063 119.306 -1.243 18261 5647 1 8 . 1 1 80 80 ILE HA H 80 3.932 3.932 3.853 0.079 18261 5648 1 8 . 1 1 80 80 ILE C C 80 179.014 179.014 177.529 1.485 18261 5649 1 8 . 1 1 80 80 ILE CA C 80 63.727 63.727 64.195 -0.468 18261 5650 1 8 . 1 1 80 80 ILE CB C 80 38.208 38.208 38.057 0.151 18261 5651 1 8 . 1 1 80 80 ILE H H 80 7.239 7.239 7.213 0.026 18261 5652 1 8 . 1 1 81 81 ALA N N 81 121.494 121.494 121.315 0.179 18261 5653 1 8 . 1 1 81 81 ALA HA H 81 3.961 3.961 4.316 -0.355 18261 5654 1 8 . 1 1 81 81 ALA C C 81 177.258 177.258 179.929 -2.671 18261 5655 1 8 . 1 1 81 81 ALA CA C 81 54.668 54.668 54.643 0.025 18261 5656 1 8 . 1 1 81 81 ALA CB C 81 17.887 17.887 18.784 -0.897 18261 5657 1 8 . 1 1 81 81 ALA H H 81 8.495 8.495 8.326 0.169 18261 5658 1 8 . 1 1 82 82 ALA N N 82 116.416 116.416 121.272 -4.856 18261 5659 1 8 . 1 1 82 82 ALA HA H 82 4.316 4.316 4.160 0.156 18261 5660 1 8 . 1 1 82 82 ALA C C 82 177.693 177.693 178.284 -0.591 18261 5661 1 8 . 1 1 82 82 ALA CA C 82 52.630 52.630 53.713 -1.083 18261 5662 1 8 . 1 1 82 82 ALA CB C 82 19.224 19.224 19.126 0.098 18261 5663 1 8 . 1 1 82 82 ALA H H 82 8.034 8.034 8.510 -0.476 18261 5664 1 8 . 1 1 83 83 SER N N 83 112.672 112.672 115.638 -2.966 18261 5665 1 8 . 1 1 83 83 SER HA H 83 4.299 4.299 4.414 -0.115 18261 5666 1 8 . 1 1 83 83 SER C C 83 174.856 174.856 173.501 1.355 18261 5667 1 8 . 1 1 83 83 SER CA C 83 59.329 59.329 57.666 1.663 18261 5668 1 8 . 1 1 83 83 SER CB C 83 63.943 63.943 61.677 2.266 18261 5669 1 8 . 1 1 83 83 SER H H 83 7.437 7.437 7.791 -0.354 18261 5670 1 8 . 1 1 84 84 GLU N N 84 122.890 122.890 126.458 -3.568 18261 5671 1 8 . 1 1 84 84 GLU HA H 84 4.420 4.420 4.214 0.206 18261 5672 1 8 . 1 1 84 84 GLU C C 84 176.597 176.597 176.149 0.448 18261 5673 1 8 . 1 1 84 84 GLU CA C 84 56.586 56.586 56.441 0.145 18261 5674 1 8 . 1 1 84 84 GLU CB C 84 30.648 30.648 29.482 1.166 18261 5675 1 8 . 1 1 84 84 GLU H H 84 8.245 8.245 8.003 0.242 18261 5676 1 8 . 1 1 85 85 GLU N N 85 122.062 122.062 126.636 -4.574 18261 5677 1 8 . 1 1 85 85 GLU HA H 85 4.285 4.285 4.251 0.034 18261 5678 1 8 . 1 1 85 85 GLU C C 85 177.258 177.258 176.005 1.253 18261 5679 1 8 . 1 1 85 85 GLU CA C 85 57.128 57.128 56.617 0.510 18261 5680 1 8 . 1 1 85 85 GLU CB C 85 30.121 30.121 28.076 2.045 18261 5681 1 8 . 1 1 85 85 GLU H H 85 8.477 8.477 8.123 0.354 18261 5682 1 8 . 1 1 86 86 GLY N N 86 110.431 110.431 112.316 -1.885 18261 5683 1 8 . 1 1 86 86 GLY C C 86 174.856 174.856 172.907 1.949 18261 5684 1 8 . 1 1 86 86 GLY CA C 86 45.654 45.654 44.618 1.036 18261 5685 1 8 . 1 1 86 86 GLY H H 86 8.563 8.563 7.876 0.687 18261 5686 1 8 . 1 1 87 87 GLY N N 87 108.508 108.508 108.779 -0.271 18261 5687 1 8 . 1 1 87 87 GLY C C 87 174.436 174.436 172.854 1.582 18261 5688 1 8 . 1 1 87 87 GLY CA C 87 45.396 45.396 44.979 0.417 18261 5689 1 8 . 1 1 87 87 GLY H H 87 8.274 8.274 8.302 -0.028 18261 5690 1 8 . 1 1 88 88 GLY N N 88 107.821 107.821 112.067 -4.246 18261 5691 1 8 . 1 1 88 88 GLY C C 88 173.325 173.325 172.431 0.894 18261 5692 1 8 . 1 1 88 88 GLY CA C 88 44.814 44.814 44.518 0.296 18261 5693 1 8 . 1 1 88 88 GLY H H 88 8.105 8.105 8.993 -0.888 18261 5694 1 8 . 1 1 89 89 SER N N 89 115.747 115.747 114.443 1.304 18261 5695 1 8 . 1 1 89 89 SER HA H 89 4.582 4.582 4.635 -0.053 18261 5696 1 8 . 1 1 89 89 SER C C 89 175.066 175.066 174.873 0.193 18261 5697 1 8 . 1 1 89 89 SER CA C 89 57.256 57.256 57.016 0.240 18261 5698 1 8 . 1 1 89 89 SER CB C 89 65.130 65.130 64.914 0.216 18261 5699 1 8 . 1 1 89 89 SER H H 89 8.476 8.476 8.181 0.295 18261 5700 1 8 . 1 1 90 90 LEU N N 90 124.735 124.735 128.474 -3.739 18261 5701 1 8 . 1 1 90 90 LEU HA H 90 4.106 4.106 4.103 0.003 18261 5702 1 8 . 1 1 90 90 LEU C C 90 179.434 179.434 177.770 1.664 18261 5703 1 8 . 1 1 90 90 LEU CA C 90 58.434 58.434 57.040 1.394 18261 5704 1 8 . 1 1 90 90 LEU CB C 90 41.377 41.377 42.312 -0.935 18261 5705 1 8 . 1 1 90 90 LEU H H 90 8.860 8.860 8.898 -0.038 18261 5706 1 8 . 1 1 91 91 SER N N 91 113.851 113.851 114.426 -0.575 18261 5707 1 8 . 1 1 91 91 SER C C 91 177.325 177.325 176.101 1.224 18261 5708 1 8 . 1 1 91 91 SER CA C 91 61.261 61.261 61.590 -0.329 18261 5709 1 8 . 1 1 91 91 SER CB C 91 62.010 62.010 62.814 -0.804 18261 5710 1 8 . 1 1 91 91 SER H H 91 8.537 8.537 7.820 0.717 18261 5711 1 8 . 1 1 92 92 THR N N 92 120.889 120.889 118.410 2.479 18261 5712 1 8 . 1 1 92 92 THR HA H 92 3.993 3.993 4.206 -0.213 18261 5713 1 8 . 1 1 92 92 THR C C 92 176.162 176.162 176.640 -0.478 18261 5714 1 8 . 1 1 92 92 THR CA C 92 66.467 66.467 65.693 0.774 18261 5715 1 8 . 1 1 92 92 THR CB C 92 68.285 68.285 68.611 -0.326 18261 5716 1 8 . 1 1 92 92 THR H H 92 7.795 7.795 7.352 0.443 18261 5717 1 8 . 1 1 93 93 LYS N N 93 120.210 120.210 123.091 -2.881 18261 5718 1 8 . 1 1 93 93 LYS HA H 93 3.798 3.798 3.780 0.018 18261 5719 1 8 . 1 1 93 93 LYS CA C 93 61.044 61.044 60.400 0.644 18261 5720 1 8 . 1 1 93 93 LYS CB C 93 33.470 33.470 32.084 1.386 18261 5721 1 8 . 1 1 93 93 LYS H H 93 8.098 8.098 7.905 0.193 18261 5722 1 8 . 1 1 94 94 THR N N 94 111.485 111.485 112.241 -0.756 18261 5723 1 8 . 1 1 94 94 THR HA H 94 3.936 3.936 4.073 -0.137 18261 5724 1 8 . 1 1 94 94 THR C C 94 177.033 177.033 177.027 0.006 18261 5725 1 8 . 1 1 94 94 THR CA C 94 66.974 66.974 66.302 0.672 18261 5726 1 8 . 1 1 94 94 THR CB C 94 68.013 68.013 68.547 -0.534 18261 5727 1 8 . 1 1 94 94 THR H H 94 8.891 8.891 8.257 0.634 18261 5728 1 8 . 1 1 95 95 SER N N 95 118.938 118.938 118.683 0.255 18261 5729 1 8 . 1 1 95 95 SER HA H 95 4.394 4.394 4.187 0.207 18261 5730 1 8 . 1 1 95 95 SER C C 95 177.828 177.828 176.845 0.983 18261 5731 1 8 . 1 1 95 95 SER CA C 95 61.990 61.990 61.743 0.247 18261 5732 1 8 . 1 1 95 95 SER CB C 95 62.580 62.580 62.861 -0.281 18261 5733 1 8 . 1 1 95 95 SER H H 95 8.118 8.118 7.717 0.401 18261 5734 1 8 . 1 1 96 96 SER N N 96 121.520 121.520 118.926 2.594 18261 5735 1 8 . 1 1 96 96 SER HA H 96 4.457 4.457 4.246 0.211 18261 5736 1 8 . 1 1 96 96 SER CA C 96 62.695 62.695 62.443 0.252 18261 5737 1 8 . 1 1 96 96 SER CB C 96 62.796 62.796 63.181 -0.385 18261 5738 1 8 . 1 1 96 96 SER H H 96 8.603 8.603 8.065 0.538 18261 5739 1 8 . 1 1 97 97 ILE N N 97 122.420 122.420 122.450 -0.030 18261 5740 1 8 . 1 1 97 97 ILE HA H 97 3.792 3.792 3.801 -0.009 18261 5741 1 8 . 1 1 97 97 ILE C C 97 177.693 177.693 178.029 -0.336 18261 5742 1 8 . 1 1 97 97 ILE CA C 97 66.722 66.722 65.913 0.809 18261 5743 1 8 . 1 1 97 97 ILE CB C 97 38.645 38.645 37.824 0.821 18261 5744 1 8 . 1 1 97 97 ILE H H 97 8.516 8.516 8.182 0.334 18261 5745 1 8 . 1 1 98 98 ALA N N 98 122.031 122.031 121.548 0.483 18261 5746 1 8 . 1 1 98 98 ALA HA H 98 4.063 4.063 4.211 -0.148 18261 5747 1 8 . 1 1 98 98 ALA C C 98 180.740 180.740 179.814 0.926 18261 5748 1 8 . 1 1 98 98 ALA CA C 98 56.158 56.158 54.880 1.278 18261 5749 1 8 . 1 1 98 98 ALA CB C 98 18.347 18.347 18.263 0.084 18261 5750 1 8 . 1 1 98 98 ALA H H 98 8.437 8.437 7.998 0.439 18261 5751 1 8 . 1 1 99 99 SER N N 99 115.676 115.676 115.025 0.651 18261 5752 1 8 . 1 1 99 99 SER HA H 99 4.369 4.369 4.344 0.025 18261 5753 1 8 . 1 1 99 99 SER C C 99 177.168 177.168 176.457 0.711 18261 5754 1 8 . 1 1 99 99 SER CA C 99 61.959 61.959 61.320 0.639 18261 5755 1 8 . 1 1 99 99 SER CB C 99 63.160 63.160 63.173 -0.014 18261 5756 1 8 . 1 1 99 99 SER H H 99 8.611 8.611 7.913 0.698 18261 5757 1 8 . 1 1 100 100 ALA N N 100 124.275 124.275 124.307 -0.032 18261 5758 1 8 . 1 1 100 100 ALA HA H 100 4.243 4.243 4.077 0.166 18261 5759 1 8 . 1 1 100 100 ALA C C 100 181.851 181.851 179.436 2.415 18261 5760 1 8 . 1 1 100 100 ALA CA C 100 55.321 55.321 54.873 0.447 18261 5761 1 8 . 1 1 100 100 ALA CB C 100 18.479 18.479 18.378 0.101 18261 5762 1 8 . 1 1 100 100 ALA H H 100 8.973 8.973 8.010 0.963 18261 5763 1 8 . 1 1 101 101 MET N N 101 118.986 118.986 119.065 -0.079 18261 5764 1 8 . 1 1 101 101 MET HA H 101 4.063 4.063 4.047 0.016 18261 5765 1 8 . 1 1 101 101 MET C C 101 177.483 177.483 178.574 -1.091 18261 5766 1 8 . 1 1 101 101 MET CA C 101 60.999 60.999 60.072 0.928 18261 5767 1 8 . 1 1 101 101 MET CB C 101 34.583 34.583 33.052 1.531 18261 5768 1 8 . 1 1 101 101 MET H H 101 9.072 9.072 8.770 0.302 18261 5769 1 8 . 1 1 102 102 SER N N 102 116.650 116.650 115.411 1.239 18261 5770 1 8 . 1 1 102 102 SER HA H 102 4.370 4.370 4.273 0.097 18261 5771 1 8 . 1 1 102 102 SER C C 102 176.357 176.357 176.921 -0.564 18261 5772 1 8 . 1 1 102 102 SER CA C 102 63.278 63.278 61.920 1.357 18261 5773 1 8 . 1 1 102 102 SER CB C 102 62.523 62.523 62.743 -0.220 18261 5774 1 8 . 1 1 102 102 SER H H 102 8.673 8.673 8.561 0.112 18261 5775 1 8 . 1 1 103 103 ASN N N 103 118.060 118.060 121.601 -3.541 18261 5776 1 8 . 1 1 103 103 ASN HA H 103 4.477 4.477 4.493 -0.016 18261 5777 1 8 . 1 1 103 103 ASN C C 103 176.603 176.603 177.287 -0.684 18261 5778 1 8 . 1 1 103 103 ASN CA C 103 56.564 56.564 55.857 0.707 18261 5779 1 8 . 1 1 103 103 ASN CB C 103 38.362 38.362 38.226 0.136 18261 5780 1 8 . 1 1 103 103 ASN H H 103 8.098 8.098 7.909 0.189 18261 5781 1 8 . 1 1 104 104 ALA N N 104 122.235 122.235 122.298 -0.063 18261 5782 1 8 . 1 1 104 104 ALA HA H 104 4.255 4.255 4.025 0.230 18261 5783 1 8 . 1 1 104 104 ALA C C 104 181.701 181.701 180.192 1.509 18261 5784 1 8 . 1 1 104 104 ALA CA C 104 54.815 54.815 54.568 0.247 18261 5785 1 8 . 1 1 104 104 ALA CB C 104 18.177 18.177 17.835 0.342 18261 5786 1 8 . 1 1 104 104 ALA H H 104 7.919 7.919 7.955 -0.036 18261 5787 1 8 . 1 1 105 105 PHE N N 105 119.159 119.159 120.138 -0.979 18261 5788 1 8 . 1 1 105 105 PHE HA H 105 4.401 4.401 4.568 -0.167 18261 5789 1 8 . 1 1 105 105 PHE C C 105 179.224 179.224 178.184 1.040 18261 5790 1 8 . 1 1 105 105 PHE CA C 105 63.744 63.744 61.030 2.714 18261 5791 1 8 . 1 1 105 105 PHE CB C 105 39.417 39.417 39.159 0.258 18261 5792 1 8 . 1 1 105 105 PHE H H 105 8.615 8.615 8.288 0.327 18261 5793 1 8 . 1 1 106 106 LEU N N 106 121.765 121.765 118.901 2.864 18261 5794 1 8 . 1 1 106 106 LEU HA H 106 3.741 3.741 4.062 -0.321 18261 5795 1 8 . 1 1 106 106 LEU C C 106 179.074 179.074 179.410 -0.336 18261 5796 1 8 . 1 1 106 106 LEU CA C 106 59.086 59.086 58.265 0.821 18261 5797 1 8 . 1 1 106 106 LEU CB C 106 41.265 41.265 41.317 -0.052 18261 5798 1 8 . 1 1 106 106 LEU H H 106 8.259 8.259 8.691 -0.432 18261 5799 1 8 . 1 1 107 107 GLN N N 107 114.755 114.755 117.140 -2.385 18261 5800 1 8 . 1 1 107 107 GLN HA H 107 4.189 4.189 4.272 -0.083 18261 5801 1 8 . 1 1 107 107 GLN C C 107 176.822 176.822 178.074 -1.252 18261 5802 1 8 . 1 1 107 107 GLN CA C 107 57.461 57.461 58.061 -0.600 18261 5803 1 8 . 1 1 107 107 GLN CB C 107 29.393 29.393 28.411 0.982 18261 5804 1 8 . 1 1 107 107 GLN H H 107 8.176 8.176 8.104 0.072 18261 5805 1 8 . 1 1 108 108 THR N N 108 108.074 108.074 110.804 -2.730 18261 5806 1 8 . 1 1 108 108 THR HA H 108 4.517 4.517 4.341 0.176 18261 5807 1 8 . 1 1 108 108 THR C C 108 175.952 175.952 176.251 -0.299 18261 5808 1 8 . 1 1 108 108 THR CA C 108 62.526 62.526 64.227 -1.701 18261 5809 1 8 . 1 1 108 108 THR CB C 108 70.320 70.320 69.796 0.524 18261 5810 1 8 . 1 1 108 108 THR H H 108 7.740 7.740 7.985 -0.245 18261 5811 1 8 . 1 1 109 109 THR N N 109 113.029 113.029 111.142 1.887 18261 5812 1 8 . 1 1 109 109 THR HA H 109 4.620 4.620 4.542 0.078 18261 5813 1 8 . 1 1 109 109 THR C C 109 176.162 176.162 176.225 -0.063 18261 5814 1 8 . 1 1 109 109 THR CA C 109 62.255 62.255 62.111 0.144 18261 5815 1 8 . 1 1 109 109 THR CB C 109 70.768 70.768 71.270 -0.502 18261 5816 1 8 . 1 1 109 109 THR H H 109 8.869 8.869 8.280 0.589 18261 5817 1 8 . 1 1 110 110 GLY N N 110 109.433 109.433 110.896 -1.463 18261 5818 1 8 . 1 1 110 110 GLY C C 110 172.889 172.889 173.934 -1.045 18261 5819 1 8 . 1 1 110 110 GLY CA C 110 45.555 45.555 45.274 0.281 18261 5820 1 8 . 1 1 110 110 GLY H H 110 8.298 8.298 8.245 0.053 18261 5821 1 8 . 1 1 111 111 VAL N N 111 119.167 119.167 120.165 -0.998 18261 5822 1 8 . 1 1 111 111 VAL HA H 111 4.266 4.266 4.544 -0.278 18261 5823 1 8 . 1 1 111 111 VAL C C 111 174.421 174.421 174.370 0.051 18261 5824 1 8 . 1 1 111 111 VAL CA C 111 60.783 60.783 60.862 -0.079 18261 5825 1 8 . 1 1 111 111 VAL CB C 111 35.394 35.394 35.985 -0.591 18261 5826 1 8 . 1 1 111 111 VAL H H 111 7.786 7.786 8.017 -0.231 18261 5827 1 8 . 1 1 112 112 VAL N N 112 124.920 124.920 120.828 4.092 18261 5828 1 8 . 1 1 112 112 VAL HA H 112 3.251 3.251 3.784 -0.533 18261 5829 1 8 . 1 1 112 112 VAL C C 112 174.646 174.646 173.831 0.815 18261 5830 1 8 . 1 1 112 112 VAL CA C 112 64.409 64.409 59.569 4.840 18261 5831 1 8 . 1 1 112 112 VAL CB C 112 32.626 32.626 34.953 -2.326 18261 5832 1 8 . 1 1 112 112 VAL H H 112 8.721 8.721 8.042 0.679 18261 5833 1 8 . 1 1 113 113 ASN HA H 113 4.505 4.505 4.481 0.024 18261 5834 1 8 . 1 1 113 113 ASN CA C 113 50.080 50.080 52.613 -2.533 18261 5835 1 8 . 1 1 113 113 ASN CB C 113 36.910 36.910 38.282 -1.372 18261 5836 1 8 . 1 1 114 114 GLN N N 114 123.939 123.939 128.305 -4.366 18261 5837 1 8 . 1 1 114 114 GLN HA H 114 3.944 3.944 4.284 -0.340 18261 5838 1 8 . 1 1 114 114 GLN C C 114 174.811 174.811 174.983 -0.172 18261 5839 1 8 . 1 1 114 114 GLN CA C 114 59.348 59.348 59.850 -0.502 18261 5840 1 8 . 1 1 114 114 GLN CB C 114 26.505 26.505 26.946 -0.441 18261 5841 1 8 . 1 1 114 114 GLN H H 114 8.368 8.368 8.484 -0.116 18261 5842 1 8 . 1 1 115 115 PRO HA H 115 4.243 4.243 4.126 0.117 18261 5843 1 8 . 1 1 115 115 PRO CA C 115 66.602 66.602 65.881 0.721 18261 5844 1 8 . 1 1 115 115 PRO CB C 115 31.215 31.215 31.243 -0.028 18261 5845 1 8 . 1 1 116 116 PHE N N 116 117.612 117.612 116.398 1.214 18261 5846 1 8 . 1 1 116 116 PHE HA H 116 4.209 4.209 4.372 -0.163 18261 5847 1 8 . 1 1 116 116 PHE C C 116 176.597 176.597 178.109 -1.512 18261 5848 1 8 . 1 1 116 116 PHE CA C 116 61.261 61.261 62.250 -0.989 18261 5849 1 8 . 1 1 116 116 PHE CB C 116 39.506 39.506 38.567 0.939 18261 5850 1 8 . 1 1 116 116 PHE H H 116 7.249 7.249 8.454 -1.205 18261 5851 1 8 . 1 1 117 117 ILE N N 117 119.233 119.233 120.437 -1.204 18261 5852 1 8 . 1 1 117 117 ILE HA H 117 3.537 3.537 3.771 -0.234 18261 5853 1 8 . 1 1 117 117 ILE C C 117 178.789 178.789 177.953 0.836 18261 5854 1 8 . 1 1 117 117 ILE CA C 117 65.677 65.677 65.238 0.439 18261 5855 1 8 . 1 1 117 117 ILE CB C 117 38.125 38.125 37.655 0.470 18261 5856 1 8 . 1 1 117 117 ILE H H 117 7.652 7.652 7.617 0.035 18261 5857 1 8 . 1 1 118 118 ASN N N 118 119.875 119.875 119.057 0.818 18261 5858 1 8 . 1 1 118 118 ASN HA H 118 4.304 4.304 4.499 -0.195 18261 5859 1 8 . 1 1 118 118 ASN C C 118 177.033 177.033 178.204 -1.171 18261 5860 1 8 . 1 1 118 118 ASN CA C 118 55.716 55.716 56.166 -0.450 18261 5861 1 8 . 1 1 118 118 ASN CB C 118 37.423 37.423 37.863 -0.440 18261 5862 1 8 . 1 1 118 118 ASN H H 118 8.975 8.975 8.501 0.474 18261 5863 1 8 . 1 1 119 119 GLU N N 119 121.029 121.029 120.821 0.208 18261 5864 1 8 . 1 1 119 119 GLU HA H 119 4.026 4.026 4.061 -0.035 18261 5865 1 8 . 1 1 119 119 GLU C C 119 178.564 178.564 179.077 -0.513 18261 5866 1 8 . 1 1 119 119 GLU CA C 119 59.426 59.426 59.293 0.133 18261 5867 1 8 . 1 1 119 119 GLU CB C 119 29.646 29.646 29.725 -0.079 18261 5868 1 8 . 1 1 119 119 GLU H H 119 8.120 8.120 7.614 0.506 18261 5869 1 8 . 1 1 120 120 ILE N N 120 117.654 117.654 120.205 -2.551 18261 5870 1 8 . 1 1 120 120 ILE HA H 120 3.734 3.734 3.851 -0.117 18261 5871 1 8 . 1 1 120 120 ILE C C 120 178.279 178.279 178.225 0.054 18261 5872 1 8 . 1 1 120 120 ILE CA C 120 62.756 62.756 65.433 -2.677 18261 5873 1 8 . 1 1 120 120 ILE CB C 120 35.645 35.645 37.912 -2.267 18261 5874 1 8 . 1 1 120 120 ILE H H 120 8.077 8.077 8.686 -0.609 18261 5875 1 8 . 1 1 121 121 THR N N 121 112.585 112.585 114.169 -1.584 18261 5876 1 8 . 1 1 121 121 THR HA H 121 3.753 3.753 3.981 -0.228 18261 5877 1 8 . 1 1 121 121 THR C C 121 177.258 177.258 177.020 0.238 18261 5878 1 8 . 1 1 121 121 THR CA C 121 67.090 67.090 66.722 0.368 18261 5879 1 8 . 1 1 121 121 THR CB C 121 68.254 68.254 68.158 0.096 18261 5880 1 8 . 1 1 121 121 THR H H 121 8.640 8.640 8.223 0.417 18261 5881 1 8 . 1 1 122 122 GLN N N 122 123.063 123.063 121.360 1.703 18261 5882 1 8 . 1 1 122 122 GLN HA H 122 4.091 4.091 4.161 -0.070 18261 5883 1 8 . 1 1 122 122 GLN C C 122 179.014 179.014 178.738 0.276 18261 5884 1 8 . 1 1 122 122 GLN CA C 122 59.192 59.192 58.392 0.801 18261 5885 1 8 . 1 1 122 122 GLN CB C 122 28.020 28.020 27.985 0.035 18261 5886 1 8 . 1 1 122 122 GLN H H 122 8.111 8.111 7.670 0.441 18261 5887 1 8 . 1 1 123 123 LEU N N 123 120.494 120.494 120.745 -0.251 18261 5888 1 8 . 1 1 123 123 LEU HA H 123 3.841 3.841 4.055 -0.214 18261 5889 1 8 . 1 1 123 123 LEU C C 123 178.354 178.354 179.184 -0.830 18261 5890 1 8 . 1 1 123 123 LEU CA C 123 58.005 58.005 58.122 -0.117 18261 5891 1 8 . 1 1 123 123 LEU CB C 123 42.580 42.580 41.534 1.046 18261 5892 1 8 . 1 1 123 123 LEU H H 123 8.131 8.131 8.309 -0.178 18261 5893 1 8 . 1 1 124 124 VAL N N 124 118.543 118.543 121.061 -2.518 18261 5894 1 8 . 1 1 124 124 VAL HA H 124 3.560 3.560 3.671 -0.111 18261 5895 1 8 . 1 1 124 124 VAL C C 124 177.453 177.453 178.436 -0.983 18261 5896 1 8 . 1 1 124 124 VAL CA C 124 67.297 67.297 67.060 0.237 18261 5897 1 8 . 1 1 124 124 VAL CB C 124 31.526 31.526 31.316 0.210 18261 5898 1 8 . 1 1 124 124 VAL H H 124 8.732 8.732 8.791 -0.059 18261 5899 1 8 . 1 1 125 125 SER N N 125 112.449 112.449 114.589 -2.140 18261 5900 1 8 . 1 1 125 125 SER HA H 125 4.044 4.044 4.114 -0.070 18261 5901 1 8 . 1 1 125 125 SER C C 125 175.937 175.937 176.852 -0.915 18261 5902 1 8 . 1 1 125 125 SER CA C 125 62.356 62.356 61.988 0.368 18261 5903 1 8 . 1 1 125 125 SER CB C 125 62.890 62.890 63.056 -0.166 18261 5904 1 8 . 1 1 125 125 SER H H 125 7.863 7.863 7.868 -0.005 18261 5905 1 8 . 1 1 126 126 MET N N 126 120.797 120.797 121.331 -0.534 18261 5906 1 8 . 1 1 126 126 MET HA H 126 4.051 4.051 4.158 -0.107 18261 5907 1 8 . 1 1 126 126 MET C C 126 179.254 179.254 177.932 1.322 18261 5908 1 8 . 1 1 126 126 MET CA C 126 58.939 58.939 57.902 1.037 18261 5909 1 8 . 1 1 126 126 MET CB C 126 32.625 32.625 32.258 0.367 18261 5910 1 8 . 1 1 126 126 MET H H 126 8.033 8.033 7.925 0.108 18261 5911 1 8 . 1 1 127 127 PHE N N 127 118.244 118.244 118.335 -0.091 18261 5912 1 8 . 1 1 127 127 PHE HA H 127 4.398 4.398 4.198 0.200 18261 5913 1 8 . 1 1 127 127 PHE C C 127 178.128 178.128 177.781 0.347 18261 5914 1 8 . 1 1 127 127 PHE CA C 127 59.991 59.991 61.157 -1.166 18261 5915 1 8 . 1 1 127 127 PHE CB C 127 38.584 38.584 38.156 0.428 18261 5916 1 8 . 1 1 127 127 PHE H H 127 8.753 8.753 8.619 0.134 18261 5917 1 8 . 1 1 128 128 ALA N N 128 120.518 120.518 120.932 -0.414 18261 5918 1 8 . 1 1 128 128 ALA HA H 128 4.152 4.152 4.125 0.027 18261 5919 1 8 . 1 1 128 128 ALA C C 128 178.789 178.789 180.292 -1.503 18261 5920 1 8 . 1 1 128 128 ALA CA C 128 54.570 54.570 54.780 -0.210 18261 5921 1 8 . 1 1 128 128 ALA CB C 128 19.373 19.373 18.357 1.016 18261 5922 1 8 . 1 1 128 128 ALA H H 128 8.681 8.681 8.459 0.222 18261 5923 1 8 . 1 1 129 129 GLN N N 129 115.315 115.315 118.810 -3.495 18261 5924 1 8 . 1 1 129 129 GLN HA H 129 4.197 4.197 4.085 0.112 18261 5925 1 8 . 1 1 129 129 GLN C C 129 177.258 177.258 177.861 -0.603 18261 5926 1 8 . 1 1 129 129 GLN CA C 129 57.519 57.519 58.184 -0.665 18261 5927 1 8 . 1 1 129 129 GLN CB C 129 29.271 29.271 28.395 0.876 18261 5928 1 8 . 1 1 129 129 GLN H H 129 7.835 7.835 7.870 -0.035 18261 5929 1 8 . 1 1 130 130 ALA N N 130 121.556 121.556 119.469 2.087 18261 5930 1 8 . 1 1 130 130 ALA HA H 130 4.285 4.285 4.438 -0.153 18261 5931 1 8 . 1 1 130 130 ALA C C 130 178.564 178.564 178.185 0.379 18261 5932 1 8 . 1 1 130 130 ALA CA C 130 53.823 53.823 52.878 0.945 18261 5933 1 8 . 1 1 130 130 ALA CB C 130 19.058 19.058 18.784 0.274 18261 5934 1 8 . 1 1 130 130 ALA H H 130 7.758 7.758 7.390 0.368 18261 5935 1 8 . 1 1 131 131 GLY N N 131 105.780 105.780 104.523 1.257 18261 5936 1 8 . 1 1 131 131 GLY C C 131 173.970 173.970 174.984 -1.014 18261 5937 1 8 . 1 1 131 131 GLY CA C 131 45.702 45.702 45.177 0.525 18261 5938 1 8 . 1 1 131 131 GLY H H 131 8.222 8.222 7.733 0.489 18261 5939 1 8 . 1 1 132 132 MET N N 132 118.358 118.358 117.806 0.552 18261 5940 1 8 . 1 1 132 132 MET HA H 132 4.540 4.540 4.472 0.068 18261 5941 1 8 . 1 1 132 132 MET C C 132 175.952 175.952 175.693 0.259 18261 5942 1 8 . 1 1 132 132 MET CA C 132 55.611 55.611 57.115 -1.504 18261 5943 1 8 . 1 1 132 132 MET CB C 132 33.473 33.473 34.366 -0.893 18261 5944 1 8 . 1 1 132 132 MET H H 132 7.763 7.763 7.371 0.392 18261 5945 1 8 . 1 1 133 133 ASN N N 133 119.002 119.002 119.042 -0.040 18261 5946 1 8 . 1 1 133 133 ASN HA H 133 4.725 4.725 4.889 -0.164 18261 5947 1 8 . 1 1 133 133 ASN C C 133 174.646 174.646 173.883 0.763 18261 5948 1 8 . 1 1 133 133 ASN CA C 133 53.512 53.512 52.462 1.050 18261 5949 1 8 . 1 1 133 133 ASN CB C 133 39.301 39.301 40.607 -1.306 18261 5950 1 8 . 1 1 133 133 ASN H H 133 8.289 8.289 7.773 0.516 18261 5951 1 8 . 1 1 134 134 ASP N N 134 120.907 120.907 127.413 -6.506 18261 5952 1 8 . 1 1 134 134 ASP HA H 134 4.659 4.659 4.609 0.050 18261 5953 1 8 . 1 1 134 134 ASP C C 134 176.162 176.162 175.228 0.934 18261 5954 1 8 . 1 1 134 134 ASP CA C 134 54.379 54.379 55.285 -0.906 18261 5955 1 8 . 1 1 134 134 ASP CB C 134 41.291 41.291 39.727 1.564 18261 5956 1 8 . 1 1 134 134 ASP H H 134 8.364 8.364 8.731 -0.367 18261 5957 1 8 . 1 1 135 135 VAL N N 135 119.971 119.971 122.745 -2.774 18261 5958 1 8 . 1 1 135 135 VAL HA H 135 4.214 4.214 4.262 -0.048 18261 5959 1 8 . 1 1 135 135 VAL C C 135 176.162 176.162 175.209 0.953 18261 5960 1 8 . 1 1 135 135 VAL CA C 135 62.157 62.157 61.860 0.297 18261 5961 1 8 . 1 1 135 135 VAL CB C 135 32.644 32.644 33.746 -1.102 18261 5962 1 8 . 1 1 135 135 VAL H H 135 8.118 8.118 8.169 -0.051 18261 5963 1 8 . 1 1 136 136 SER N N 136 119.918 119.918 114.442 5.476 18261 5964 1 8 . 1 1 136 136 SER HA H 136 4.462 4.462 4.543 -0.081 18261 5965 1 8 . 1 1 136 136 SER C C 136 173.325 173.325 173.176 0.149 18261 5966 1 8 . 1 1 136 136 SER CA C 136 58.342 58.342 58.435 -0.093 18261 5967 1 8 . 1 1 136 136 SER CB C 136 64.041 64.041 63.443 0.598 18261 5968 1 8 . 1 1 136 136 SER H H 136 8.410 8.410 8.508 -0.098 18261 5969 1 9 . 1 1 3 3 GLY CA C 3 45.200 45.200 44.755 0.445 18261 5970 1 9 . 1 1 4 4 ASN N N 4 124.083 124.083 120.152 3.931 18261 5971 1 9 . 1 1 4 4 ASN HA H 4 4.530 4.530 4.661 -0.131 18261 5972 1 9 . 1 1 4 4 ASN C C 4 179.449 179.449 176.572 2.877 18261 5973 1 9 . 1 1 4 4 ASN CA C 4 54.803 54.803 55.402 -0.599 18261 5974 1 9 . 1 1 4 4 ASN CB C 4 41.106 41.106 39.082 2.024 18261 5975 1 9 . 1 1 4 4 ASN H H 4 7.981 7.981 8.050 -0.069 18261 5976 1 9 . 1 1 6 6 HIS HA H 6 4.693 4.693 4.380 0.313 18261 5977 1 9 . 1 1 6 6 HIS CA C 6 56.115 56.115 56.898 -0.783 18261 5978 1 9 . 1 1 6 6 HIS CB C 6 31.011 31.011 29.423 1.588 18261 5979 1 9 . 1 1 7 7 THR N N 7 115.238 115.238 113.175 2.063 18261 5980 1 9 . 1 1 7 7 THR HA H 7 4.318 4.318 4.591 -0.273 18261 5981 1 9 . 1 1 7 7 THR C C 7 173.970 173.970 174.364 -0.394 18261 5982 1 9 . 1 1 7 7 THR CA C 7 62.099 62.099 61.284 0.815 18261 5983 1 9 . 1 1 7 7 THR CB C 7 69.779 69.779 70.103 -0.324 18261 5984 1 9 . 1 1 7 7 THR H H 7 8.120 8.120 7.907 0.213 18261 5985 1 9 . 1 1 8 8 THR N N 8 115.713 115.713 118.147 -2.434 18261 5986 1 9 . 1 1 8 8 THR HA H 8 4.146 4.146 4.291 -0.145 18261 5987 1 9 . 1 1 8 8 THR C C 8 172.664 172.664 173.772 -1.108 18261 5988 1 9 . 1 1 8 8 THR CA C 8 58.349 58.349 58.047 0.302 18261 5989 1 9 . 1 1 8 8 THR CB C 8 69.219 69.219 69.228 -0.009 18261 5990 1 9 . 1 1 8 8 THR H H 8 7.977 7.977 8.249 -0.272 18261 5991 1 9 . 1 1 9 9 PRO HA H 9 3.939 3.939 4.182 -0.243 18261 5992 1 9 . 1 1 9 9 PRO CA C 9 62.965 62.965 64.164 -1.199 18261 5993 1 9 . 1 1 9 9 PRO CB C 9 30.610 30.610 30.895 -0.285 18261 5994 1 9 . 1 1 10 10 TRP N N 10 111.487 111.487 117.287 -5.800 18261 5995 1 9 . 1 1 10 10 TRP HA H 10 4.899 4.899 4.593 0.306 18261 5996 1 9 . 1 1 10 10 TRP C C 10 175.817 175.817 176.476 -0.659 18261 5997 1 9 . 1 1 10 10 TRP CA C 10 54.292 54.292 55.792 -1.500 18261 5998 1 9 . 1 1 10 10 TRP CB C 10 31.219 31.219 28.186 3.033 18261 5999 1 9 . 1 1 10 10 TRP H H 10 6.681 6.681 7.179 -0.498 18261 6000 1 9 . 1 1 11 11 THR N N 11 106.120 106.120 111.603 -5.483 18261 6001 1 9 . 1 1 11 11 THR HA H 11 3.905 3.905 4.096 -0.191 18261 6002 1 9 . 1 1 11 11 THR C C 11 173.970 173.970 175.043 -1.073 18261 6003 1 9 . 1 1 11 11 THR CA C 11 63.937 63.937 63.554 0.383 18261 6004 1 9 . 1 1 11 11 THR CB C 11 69.242 69.242 68.987 0.255 18261 6005 1 9 . 1 1 11 11 THR H H 11 7.189 7.189 7.381 -0.192 18261 6006 1 9 . 1 1 12 12 ASN N N 12 116.403 116.403 119.560 -3.157 18261 6007 1 9 . 1 1 12 12 ASN HA H 12 5.115 5.115 5.195 -0.080 18261 6008 1 9 . 1 1 12 12 ASN C C 12 172.889 172.889 173.649 -0.760 18261 6009 1 9 . 1 1 12 12 ASN CA C 12 51.276 51.276 50.065 1.211 18261 6010 1 9 . 1 1 12 12 ASN CB C 12 40.474 40.474 40.417 0.057 18261 6011 1 9 . 1 1 12 12 ASN H H 12 7.282 7.282 7.571 -0.289 18261 6012 1 9 . 1 1 13 13 PRO HA H 13 4.210 4.210 4.293 -0.083 18261 6013 1 9 . 1 1 13 13 PRO CA C 13 65.516 65.516 65.712 -0.196 18261 6014 1 9 . 1 1 13 13 PRO CB C 13 32.418 32.418 32.065 0.353 18261 6015 1 9 . 1 1 14 14 GLY N N 14 108.796 108.796 106.022 2.774 18261 6016 1 9 . 1 1 14 14 GLY C C 14 175.952 175.952 176.056 -0.104 18261 6017 1 9 . 1 1 14 14 GLY CA C 14 47.073 47.073 47.207 -0.134 18261 6018 1 9 . 1 1 14 14 GLY H H 14 8.363 8.363 8.360 0.003 18261 6019 1 9 . 1 1 15 15 LEU N N 15 124.473 124.473 123.329 1.144 18261 6020 1 9 . 1 1 15 15 LEU HA H 15 4.335 4.335 4.186 0.149 18261 6021 1 9 . 1 1 15 15 LEU C C 15 178.564 178.564 178.611 -0.047 18261 6022 1 9 . 1 1 15 15 LEU CA C 15 57.402 57.402 56.919 0.483 18261 6023 1 9 . 1 1 15 15 LEU CB C 15 41.600 41.600 41.674 -0.074 18261 6024 1 9 . 1 1 15 15 LEU H H 15 7.890 7.890 7.227 0.663 18261 6025 1 9 . 1 1 16 16 ALA N N 16 121.371 121.371 121.395 -0.024 18261 6026 1 9 . 1 1 16 16 ALA HA H 16 4.000 4.000 4.105 -0.105 18261 6027 1 9 . 1 1 16 16 ALA C C 16 179.104 179.104 179.625 -0.521 18261 6028 1 9 . 1 1 16 16 ALA CA C 16 56.360 56.360 55.751 0.609 18261 6029 1 9 . 1 1 16 16 ALA CB C 16 19.351 19.351 18.133 1.218 18261 6030 1 9 . 1 1 16 16 ALA H H 16 8.429 8.429 8.424 0.005 18261 6031 1 9 . 1 1 17 17 GLU N N 17 117.199 117.199 119.276 -2.077 18261 6032 1 9 . 1 1 17 17 GLU HA H 17 3.964 3.964 4.059 -0.095 18261 6033 1 9 . 1 1 17 17 GLU C C 17 177.993 177.993 179.063 -1.070 18261 6034 1 9 . 1 1 17 17 GLU CA C 17 59.543 59.543 59.588 -0.045 18261 6035 1 9 . 1 1 17 17 GLU CB C 17 29.932 29.932 29.475 0.457 18261 6036 1 9 . 1 1 17 17 GLU H H 17 8.030 8.030 8.301 -0.271 18261 6037 1 9 . 1 1 18 18 ASN N N 18 118.433 118.433 118.063 0.370 18261 6038 1 9 . 1 1 18 18 ASN HA H 18 4.546 4.546 4.477 0.069 18261 6039 1 9 . 1 1 18 18 ASN C C 18 178.347 178.347 177.922 0.425 18261 6040 1 9 . 1 1 18 18 ASN CA C 18 56.226 56.226 56.502 -0.276 18261 6041 1 9 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.492 -0.368 18261 6042 1 9 . 1 1 18 18 ASN H H 18 8.075 8.075 8.077 -0.002 18261 6043 1 9 . 1 1 19 19 PHE N N 19 122.078 122.078 123.408 -1.330 18261 6044 1 9 . 1 1 19 19 PHE HA H 19 3.881 3.881 4.348 -0.467 18261 6045 1 9 . 1 1 19 19 PHE C C 19 176.837 176.837 177.269 -0.432 18261 6046 1 9 . 1 1 19 19 PHE CA C 19 62.230 62.230 61.818 0.412 18261 6047 1 9 . 1 1 19 19 PHE CB C 19 39.450 39.450 39.258 0.192 18261 6048 1 9 . 1 1 19 19 PHE H H 19 9.623 9.623 8.686 0.937 18261 6049 1 9 . 1 1 20 20 MET N N 20 118.264 118.264 117.552 0.712 18261 6050 1 9 . 1 1 20 20 MET HA H 20 4.424 4.424 3.985 0.439 18261 6051 1 9 . 1 1 20 20 MET C C 20 178.924 178.924 178.636 0.288 18261 6052 1 9 . 1 1 20 20 MET CA C 20 57.480 57.480 56.931 0.549 18261 6053 1 9 . 1 1 20 20 MET CB C 20 31.929 31.929 30.836 1.093 18261 6054 1 9 . 1 1 20 20 MET H H 20 8.865 8.865 8.473 0.392 18261 6055 1 9 . 1 1 21 21 ASN N N 21 118.455 118.455 119.479 -1.024 18261 6056 1 9 . 1 1 21 21 ASN HA H 21 4.542 4.542 4.396 0.146 18261 6057 1 9 . 1 1 21 21 ASN C C 21 178.249 178.249 177.819 0.430 18261 6058 1 9 . 1 1 21 21 ASN CA C 21 56.305 56.305 57.261 -0.956 18261 6059 1 9 . 1 1 21 21 ASN CB C 21 37.916 37.916 38.785 -0.869 18261 6060 1 9 . 1 1 21 21 ASN H H 21 8.453 8.453 8.761 -0.308 18261 6061 1 9 . 1 1 22 22 SER N N 22 116.036 116.036 115.419 0.617 18261 6062 1 9 . 1 1 22 22 SER HA H 22 4.196 4.196 4.564 -0.368 18261 6063 1 9 . 1 1 22 22 SER C C 22 178.143 178.143 176.446 1.697 18261 6064 1 9 . 1 1 22 22 SER CA C 22 62.256 62.256 61.473 0.783 18261 6065 1 9 . 1 1 22 22 SER CB C 22 62.870 62.870 63.230 -0.360 18261 6066 1 9 . 1 1 22 22 SER H H 22 7.959 7.959 8.224 -0.265 18261 6067 1 9 . 1 1 23 23 PHE N N 23 124.987 124.987 124.950 0.037 18261 6068 1 9 . 1 1 23 23 PHE HA H 23 4.005 4.005 4.100 -0.095 18261 6069 1 9 . 1 1 23 23 PHE C C 23 175.652 175.652 176.708 -1.056 18261 6070 1 9 . 1 1 23 23 PHE CA C 23 60.525 60.525 61.222 -0.697 18261 6071 1 9 . 1 1 23 23 PHE CB C 23 38.899 38.899 39.077 -0.178 18261 6072 1 9 . 1 1 23 23 PHE H H 23 9.045 9.045 8.247 0.798 18261 6073 1 9 . 1 1 24 24 MET N N 24 117.260 117.260 116.629 0.631 18261 6074 1 9 . 1 1 24 24 MET HA H 24 4.040 4.040 3.916 0.124 18261 6075 1 9 . 1 1 24 24 MET C C 24 179.797 179.797 178.807 0.990 18261 6076 1 9 . 1 1 24 24 MET CA C 24 56.047 56.047 56.321 -0.274 18261 6077 1 9 . 1 1 24 24 MET CB C 24 30.308 30.308 30.802 -0.494 18261 6078 1 9 . 1 1 24 24 MET H H 24 8.302 8.302 8.295 0.007 18261 6079 1 9 . 1 1 25 25 GLN N N 25 120.167 120.167 119.416 0.751 18261 6080 1 9 . 1 1 25 25 GLN HA H 25 3.985 3.985 4.041 -0.056 18261 6081 1 9 . 1 1 25 25 GLN C C 25 179.870 179.870 178.842 1.028 18261 6082 1 9 . 1 1 25 25 GLN CA C 25 59.136 59.136 59.086 0.050 18261 6083 1 9 . 1 1 25 25 GLN CB C 25 28.234 28.234 28.599 -0.365 18261 6084 1 9 . 1 1 25 25 GLN H H 25 8.038 8.038 7.708 0.330 18261 6085 1 9 . 1 1 26 26 GLY N N 26 107.636 107.636 107.646 -0.010 18261 6086 1 9 . 1 1 26 26 GLY C C 26 176.387 176.387 176.554 -0.167 18261 6087 1 9 . 1 1 26 26 GLY CA C 26 46.911 46.911 46.179 0.732 18261 6088 1 9 . 1 1 26 26 GLY H H 26 8.095 8.095 7.844 0.251 18261 6089 1 9 . 1 1 27 27 LEU N N 27 122.877 122.877 124.167 -1.290 18261 6090 1 9 . 1 1 27 27 LEU HA H 27 3.783 3.783 4.016 -0.233 18261 6091 1 9 . 1 1 27 27 LEU C C 27 178.564 178.564 178.792 -0.228 18261 6092 1 9 . 1 1 27 27 LEU CA C 27 57.262 57.262 56.932 0.330 18261 6093 1 9 . 1 1 27 27 LEU CB C 27 42.076 42.076 41.029 1.047 18261 6094 1 9 . 1 1 27 27 LEU H H 27 8.369 8.369 8.226 0.143 18261 6095 1 9 . 1 1 28 28 SER N N 28 109.474 109.474 113.178 -3.704 18261 6096 1 9 . 1 1 28 28 SER HA H 28 4.138 4.138 4.261 -0.123 18261 6097 1 9 . 1 1 28 28 SER C C 28 174.421 174.421 175.409 -0.988 18261 6098 1 9 . 1 1 28 28 SER CA C 28 61.153 61.153 60.749 0.404 18261 6099 1 9 . 1 1 28 28 SER CB C 28 63.320 63.320 62.998 0.322 18261 6100 1 9 . 1 1 28 28 SER H H 28 7.527 7.527 8.217 -0.690 18261 6101 1 9 . 1 1 29 29 SER N N 29 114.550 114.550 115.582 -1.032 18261 6102 1 9 . 1 1 29 29 SER HA H 29 4.734 4.734 4.569 0.165 18261 6103 1 9 . 1 1 29 29 SER C C 29 173.970 173.970 174.021 -0.051 18261 6104 1 9 . 1 1 29 29 SER CA C 29 57.927 57.927 58.652 -0.725 18261 6105 1 9 . 1 1 29 29 SER CB C 29 64.500 64.500 63.932 0.568 18261 6106 1 9 . 1 1 29 29 SER H H 29 7.449 7.449 7.637 -0.188 18261 6107 1 9 . 1 1 30 30 MET N N 30 122.420 122.420 121.927 0.493 18261 6108 1 9 . 1 1 30 30 MET HA H 30 4.952 4.952 4.920 0.032 18261 6109 1 9 . 1 1 30 30 MET C C 30 174.195 174.195 173.872 0.323 18261 6110 1 9 . 1 1 30 30 MET CA C 30 53.638 53.638 51.057 2.581 18261 6111 1 9 . 1 1 30 30 MET CB C 30 32.305 32.305 31.943 0.362 18261 6112 1 9 . 1 1 30 30 MET H H 30 7.674 7.674 7.605 0.069 18261 6113 1 9 . 1 1 31 31 PRO HA H 31 4.669 4.669 4.439 0.230 18261 6114 1 9 . 1 1 31 31 PRO CA C 31 62.880 62.880 63.278 -0.398 18261 6115 1 9 . 1 1 31 31 PRO CB C 31 32.742 32.742 31.195 1.547 18261 6116 1 9 . 1 1 32 32 GLY N N 32 106.222 106.222 110.215 -3.993 18261 6117 1 9 . 1 1 32 32 GLY C C 32 172.454 172.454 173.274 -0.820 18261 6118 1 9 . 1 1 32 32 GLY CA C 32 45.608 45.608 44.998 0.610 18261 6119 1 9 . 1 1 32 32 GLY H H 32 8.415 8.415 7.916 0.499 18261 6120 1 9 . 1 1 33 33 PHE N N 33 116.404 116.404 120.522 -4.118 18261 6121 1 9 . 1 1 33 33 PHE HA H 33 5.167 5.167 4.842 0.325 18261 6122 1 9 . 1 1 33 33 PHE C C 33 176.387 176.387 175.404 0.983 18261 6123 1 9 . 1 1 33 33 PHE CA C 33 56.750 56.750 57.814 -1.064 18261 6124 1 9 . 1 1 33 33 PHE CB C 33 42.080 42.080 40.307 1.773 18261 6125 1 9 . 1 1 33 33 PHE H H 33 7.871 7.871 7.414 0.457 18261 6126 1 9 . 1 1 34 34 THR N N 34 113.684 113.684 116.401 -2.717 18261 6127 1 9 . 1 1 34 34 THR HA H 34 4.545 4.545 4.658 -0.113 18261 6128 1 9 . 1 1 34 34 THR C C 34 175.066 175.066 175.851 -0.785 18261 6129 1 9 . 1 1 34 34 THR CA C 34 60.339 60.339 59.250 1.089 18261 6130 1 9 . 1 1 34 34 THR CB C 34 70.381 70.381 71.260 -0.879 18261 6131 1 9 . 1 1 34 34 THR H H 34 8.899 8.899 8.516 0.383 18261 6132 1 9 . 1 1 35 35 ALA N N 35 122.927 122.927 124.577 -1.650 18261 6133 1 9 . 1 1 35 35 ALA HA H 35 4.092 4.092 4.167 -0.075 18261 6134 1 9 . 1 1 35 35 ALA C C 35 180.755 180.755 179.828 0.927 18261 6135 1 9 . 1 1 35 35 ALA CA C 35 55.827 55.827 55.201 0.626 18261 6136 1 9 . 1 1 35 35 ALA CB C 35 18.098 18.098 18.760 -0.662 18261 6137 1 9 . 1 1 35 35 ALA H H 35 8.864 8.864 8.811 0.053 18261 6138 1 9 . 1 1 36 36 SER N N 36 112.708 112.708 113.786 -1.078 18261 6139 1 9 . 1 1 36 36 SER HA H 36 4.276 4.276 4.104 0.172 18261 6140 1 9 . 1 1 36 36 SER C C 36 177.033 177.033 176.890 0.143 18261 6141 1 9 . 1 1 36 36 SER CA C 36 61.403 61.403 61.486 -0.083 18261 6142 1 9 . 1 1 36 36 SER CB C 36 62.371 62.371 62.892 -0.520 18261 6143 1 9 . 1 1 36 36 SER H H 36 8.389 8.389 8.201 0.188 18261 6144 1 9 . 1 1 37 37 GLN N N 37 121.595 121.595 120.868 0.727 18261 6145 1 9 . 1 1 37 37 GLN HA H 37 4.272 4.272 4.199 0.073 18261 6146 1 9 . 1 1 37 37 GLN C C 37 179.149 179.149 178.402 0.747 18261 6147 1 9 . 1 1 37 37 GLN CA C 37 58.638 58.638 58.017 0.621 18261 6148 1 9 . 1 1 37 37 GLN CB C 37 29.123 29.123 28.513 0.610 18261 6149 1 9 . 1 1 37 37 GLN H H 37 7.621 7.621 7.452 0.169 18261 6150 1 9 . 1 1 38 38 LEU N N 38 119.852 119.852 122.207 -2.355 18261 6151 1 9 . 1 1 38 38 LEU HA H 38 3.838 3.838 4.038 -0.200 18261 6152 1 9 . 1 1 38 38 LEU C C 38 179.675 179.675 178.762 0.913 18261 6153 1 9 . 1 1 38 38 LEU CA C 38 57.929 57.929 57.812 0.117 18261 6154 1 9 . 1 1 38 38 LEU CB C 38 40.918 40.918 41.993 -1.075 18261 6155 1 9 . 1 1 38 38 LEU H H 38 8.341 8.341 8.461 -0.120 18261 6156 1 9 . 1 1 39 39 ASP N N 39 122.065 122.065 118.810 3.255 18261 6157 1 9 . 1 1 39 39 ASP HA H 39 4.439 4.439 4.311 0.128 18261 6158 1 9 . 1 1 39 39 ASP C C 39 179.224 179.224 178.123 1.101 18261 6159 1 9 . 1 1 39 39 ASP CA C 39 57.710 57.710 58.020 -0.310 18261 6160 1 9 . 1 1 39 39 ASP CB C 39 40.245 40.245 40.883 -0.638 18261 6161 1 9 . 1 1 39 39 ASP H H 39 7.955 7.955 8.475 -0.520 18261 6162 1 9 . 1 1 40 40 ASP N N 40 121.957 121.957 120.150 1.807 18261 6163 1 9 . 1 1 40 40 ASP HA H 40 4.483 4.483 4.417 0.066 18261 6164 1 9 . 1 1 40 40 ASP C C 40 179.600 179.600 178.385 1.215 18261 6165 1 9 . 1 1 40 40 ASP CA C 40 57.745 57.745 57.176 0.569 18261 6166 1 9 . 1 1 40 40 ASP CB C 40 40.190 40.190 41.104 -0.914 18261 6167 1 9 . 1 1 40 40 ASP H H 40 8.022 8.022 7.591 0.431 18261 6168 1 9 . 1 1 41 41 MET N N 41 121.160 121.160 119.380 1.780 18261 6169 1 9 . 1 1 41 41 MET HA H 41 4.204 4.204 3.821 0.383 18261 6170 1 9 . 1 1 41 41 MET C C 41 177.693 177.693 178.217 -0.524 18261 6171 1 9 . 1 1 41 41 MET CA C 41 57.634 57.634 60.293 -2.659 18261 6172 1 9 . 1 1 41 41 MET CB C 41 31.422 31.422 32.443 -1.021 18261 6173 1 9 . 1 1 41 41 MET H H 41 8.668 8.668 8.137 0.531 18261 6174 1 9 . 1 1 42 42 SER N N 42 116.421 116.421 113.933 2.488 18261 6175 1 9 . 1 1 42 42 SER HA H 42 4.304 4.304 4.202 0.102 18261 6176 1 9 . 1 1 42 42 SER C C 42 177.483 177.483 177.015 0.468 18261 6177 1 9 . 1 1 42 42 SER CA C 42 62.075 62.075 61.893 0.182 18261 6178 1 9 . 1 1 42 42 SER CB C 42 62.765 62.765 63.040 -0.275 18261 6179 1 9 . 1 1 42 42 SER H H 42 8.375 8.375 8.227 0.148 18261 6180 1 9 . 1 1 43 43 THR N N 43 118.797 118.797 118.616 0.181 18261 6181 1 9 . 1 1 43 43 THR HA H 43 4.042 4.042 4.066 -0.024 18261 6182 1 9 . 1 1 43 43 THR C C 43 177.258 177.258 176.943 0.315 18261 6183 1 9 . 1 1 43 43 THR CA C 43 66.584 66.584 66.452 0.132 18261 6184 1 9 . 1 1 43 43 THR CB C 43 68.490 68.490 68.708 -0.218 18261 6185 1 9 . 1 1 43 43 THR H H 43 7.928 7.928 7.627 0.301 18261 6186 1 9 . 1 1 44 44 ILE N N 44 122.960 122.960 121.386 1.574 18261 6187 1 9 . 1 1 44 44 ILE HA H 44 3.930 3.930 3.788 0.142 18261 6188 1 9 . 1 1 44 44 ILE C C 44 178.564 178.564 177.800 0.764 18261 6189 1 9 . 1 1 44 44 ILE CA C 44 64.483 64.483 63.008 1.475 18261 6190 1 9 . 1 1 44 44 ILE CB C 44 38.015 38.015 36.417 1.598 18261 6191 1 9 . 1 1 44 44 ILE H H 44 7.863 7.863 8.344 -0.481 18261 6192 1 9 . 1 1 45 45 ALA N N 45 124.792 124.792 122.335 2.457 18261 6193 1 9 . 1 1 45 45 ALA HA H 45 4.122 4.122 3.977 0.145 18261 6194 1 9 . 1 1 45 45 ALA C C 45 179.404 179.404 179.818 -0.414 18261 6195 1 9 . 1 1 45 45 ALA CA C 45 56.009 56.009 55.303 0.706 18261 6196 1 9 . 1 1 45 45 ALA CB C 45 18.908 18.908 18.383 0.525 18261 6197 1 9 . 1 1 45 45 ALA H H 45 8.853 8.853 8.652 0.201 18261 6198 1 9 . 1 1 46 46 GLN N N 46 116.307 116.307 116.839 -0.532 18261 6199 1 9 . 1 1 46 46 GLN HA H 46 4.068 4.068 4.059 0.009 18261 6200 1 9 . 1 1 46 46 GLN C C 46 179.014 179.014 178.519 0.495 18261 6201 1 9 . 1 1 46 46 GLN CA C 46 58.903 58.903 58.056 0.847 18261 6202 1 9 . 1 1 46 46 GLN CB C 46 28.250 28.250 27.886 0.364 18261 6203 1 9 . 1 1 46 46 GLN H H 46 8.238 8.238 8.056 0.182 18261 6204 1 9 . 1 1 47 47 SER N N 47 115.959 115.959 115.990 -0.031 18261 6205 1 9 . 1 1 47 47 SER HA H 47 4.261 4.261 4.176 0.085 18261 6206 1 9 . 1 1 47 47 SER C C 47 177.483 177.483 176.313 1.170 18261 6207 1 9 . 1 1 47 47 SER CA C 47 61.526 61.526 61.909 -0.383 18261 6208 1 9 . 1 1 47 47 SER CB C 47 62.842 62.842 62.716 0.126 18261 6209 1 9 . 1 1 47 47 SER H H 47 8.223 8.223 7.473 0.750 18261 6210 1 9 . 1 1 48 48 MET N N 48 121.963 121.963 119.813 2.150 18261 6211 1 9 . 1 1 48 48 MET HA H 48 4.110 4.110 4.313 -0.203 18261 6212 1 9 . 1 1 48 48 MET C C 48 177.798 177.798 177.773 0.025 18261 6213 1 9 . 1 1 48 48 MET CA C 48 57.531 57.531 57.731 -0.200 18261 6214 1 9 . 1 1 48 48 MET CB C 48 31.169 31.169 31.930 -0.760 18261 6215 1 9 . 1 1 48 48 MET H H 48 8.245 8.245 7.650 0.595 18261 6216 1 9 . 1 1 49 49 VAL N N 49 119.045 119.045 121.231 -2.186 18261 6217 1 9 . 1 1 49 49 VAL HA H 49 3.300 3.300 3.605 -0.305 18261 6218 1 9 . 1 1 49 49 VAL C C 49 177.910 177.910 178.481 -0.571 18261 6219 1 9 . 1 1 49 49 VAL CA C 49 67.811 67.811 66.327 1.484 18261 6220 1 9 . 1 1 49 49 VAL CB C 49 31.370 31.370 30.486 0.884 18261 6221 1 9 . 1 1 49 49 VAL H H 49 7.809 7.809 7.651 0.158 18261 6222 1 9 . 1 1 50 50 GLN N N 50 118.357 118.357 119.094 -0.737 18261 6223 1 9 . 1 1 50 50 GLN HA H 50 4.091 4.091 4.011 0.080 18261 6224 1 9 . 1 1 50 50 GLN C C 50 179.449 179.449 178.857 0.592 18261 6225 1 9 . 1 1 50 50 GLN CA C 50 59.056 59.056 58.708 0.348 18261 6226 1 9 . 1 1 50 50 GLN CB C 50 28.020 28.020 27.689 0.331 18261 6227 1 9 . 1 1 50 50 GLN H H 50 8.225 8.225 8.625 -0.400 18261 6228 1 9 . 1 1 51 51 SER N N 51 117.253 117.253 116.121 1.132 18261 6229 1 9 . 1 1 51 51 SER HA H 51 4.235 4.235 4.212 0.023 18261 6230 1 9 . 1 1 51 51 SER C C 51 176.374 176.374 176.529 -0.155 18261 6231 1 9 . 1 1 51 51 SER CA C 51 62.752 62.752 62.062 0.690 18261 6232 1 9 . 1 1 51 51 SER CB C 51 62.963 62.963 62.690 0.273 18261 6233 1 9 . 1 1 51 51 SER H H 51 8.328 8.328 7.530 0.798 18261 6234 1 9 . 1 1 52 52 ILE N N 52 123.114 123.114 122.708 0.406 18261 6235 1 9 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.569 0.030 18261 6236 1 9 . 1 1 52 52 ILE C C 52 178.684 178.684 177.455 1.229 18261 6237 1 9 . 1 1 52 52 ILE CA C 52 64.736 64.736 65.288 -0.552 18261 6238 1 9 . 1 1 52 52 ILE CB C 52 37.838 37.838 37.324 0.514 18261 6239 1 9 . 1 1 52 52 ILE H H 52 8.147 8.147 7.522 0.625 18261 6240 1 9 . 1 1 53 53 GLN N N 53 120.011 120.011 119.261 0.750 18261 6241 1 9 . 1 1 53 53 GLN HA H 53 3.946 3.946 3.932 0.014 18261 6242 1 9 . 1 1 53 53 GLN C C 53 179.014 179.014 178.121 0.893 18261 6243 1 9 . 1 1 53 53 GLN CA C 53 59.501 59.501 58.775 0.726 18261 6244 1 9 . 1 1 53 53 GLN CB C 53 27.901 27.901 28.221 -0.320 18261 6245 1 9 . 1 1 53 53 GLN H H 53 8.583 8.583 8.263 0.320 18261 6246 1 9 . 1 1 54 54 SER N N 54 115.479 115.479 113.855 1.624 18261 6247 1 9 . 1 1 54 54 SER HA H 54 4.302 4.302 4.341 -0.039 18261 6248 1 9 . 1 1 54 54 SER C C 54 176.822 176.822 176.425 0.397 18261 6249 1 9 . 1 1 54 54 SER CA C 54 61.492 61.492 60.745 0.748 18261 6250 1 9 . 1 1 54 54 SER CB C 54 62.880 62.880 63.502 -0.622 18261 6251 1 9 . 1 1 54 54 SER H H 54 8.271 8.271 7.591 0.680 18261 6252 1 9 . 1 1 55 55 LEU N N 55 121.519 121.519 123.621 -2.102 18261 6253 1 9 . 1 1 55 55 LEU HA H 55 4.068 4.068 4.003 0.065 18261 6254 1 9 . 1 1 55 55 LEU C C 55 179.434 179.434 177.547 1.887 18261 6255 1 9 . 1 1 55 55 LEU CA C 55 57.793 57.793 58.121 -0.328 18261 6256 1 9 . 1 1 55 55 LEU CB C 55 42.245 42.245 41.730 0.515 18261 6257 1 9 . 1 1 55 55 LEU H H 55 7.974 7.974 8.058 -0.084 18261 6258 1 9 . 1 1 56 56 ALA N N 56 121.040 121.040 117.309 3.731 18261 6259 1 9 . 1 1 56 56 ALA HA H 56 4.228 4.228 4.626 -0.398 18261 6260 1 9 . 1 1 56 56 ALA C C 56 180.530 180.530 177.875 2.655 18261 6261 1 9 . 1 1 56 56 ALA CA C 56 54.331 54.331 52.641 1.690 18261 6262 1 9 . 1 1 56 56 ALA CB C 56 18.075 18.075 18.784 -0.709 18261 6263 1 9 . 1 1 56 56 ALA H H 56 8.032 8.032 8.150 -0.118 18261 6264 1 9 . 1 1 57 57 ALA N N 57 121.325 121.325 120.824 0.501 18261 6265 1 9 . 1 1 57 57 ALA HA H 57 4.219 4.219 4.342 -0.123 18261 6266 1 9 . 1 1 57 57 ALA C C 57 179.344 179.344 178.970 0.374 18261 6267 1 9 . 1 1 57 57 ALA CA C 57 54.446 54.446 53.782 0.664 18261 6268 1 9 . 1 1 57 57 ALA CB C 57 18.470 18.470 19.779 -1.308 18261 6269 1 9 . 1 1 57 57 ALA H H 57 8.030 8.030 7.540 0.490 18261 6270 1 9 . 1 1 58 58 GLN N N 58 114.257 114.257 116.811 -2.554 18261 6271 1 9 . 1 1 58 58 GLN HA H 58 4.356 4.356 4.365 -0.009 18261 6272 1 9 . 1 1 58 58 GLN C C 58 176.612 176.612 175.936 0.676 18261 6273 1 9 . 1 1 58 58 GLN CA C 58 55.957 55.957 54.970 0.987 18261 6274 1 9 . 1 1 58 58 GLN CB C 58 29.767 29.767 29.349 0.418 18261 6275 1 9 . 1 1 58 58 GLN H H 58 7.751 7.751 8.193 -0.442 18261 6276 1 9 . 1 1 59 59 GLY N N 59 108.304 108.304 107.651 0.653 18261 6277 1 9 . 1 1 59 59 GLY C C 59 174.856 174.856 174.891 -0.035 18261 6278 1 9 . 1 1 59 59 GLY CA C 59 46.197 46.197 45.713 0.484 18261 6279 1 9 . 1 1 59 59 GLY H H 59 7.910 7.910 7.911 -0.001 18261 6280 1 9 . 1 1 60 60 ARG N N 60 118.258 118.258 117.688 0.570 18261 6281 1 9 . 1 1 60 60 ARG HA H 60 4.553 4.553 4.580 -0.027 18261 6282 1 9 . 1 1 60 60 ARG C C 60 175.847 175.847 176.033 -0.186 18261 6283 1 9 . 1 1 60 60 ARG CA C 60 55.658 55.658 54.822 0.836 18261 6284 1 9 . 1 1 60 60 ARG CB C 60 31.714 31.714 31.127 0.587 18261 6285 1 9 . 1 1 60 60 ARG H H 60 8.108 8.108 8.077 0.031 18261 6286 1 9 . 1 1 61 61 THR N N 61 115.924 115.924 117.789 -1.865 18261 6287 1 9 . 1 1 61 61 THR HA H 61 4.785 4.785 4.289 0.496 18261 6288 1 9 . 1 1 61 61 THR C C 61 173.654 173.654 174.120 -0.466 18261 6289 1 9 . 1 1 61 61 THR CA C 61 63.140 63.140 63.093 0.047 18261 6290 1 9 . 1 1 61 61 THR CB C 61 68.602 68.602 67.776 0.826 18261 6291 1 9 . 1 1 61 61 THR H H 61 7.970 7.970 8.076 -0.106 18261 6292 1 9 . 1 1 62 62 SER N N 62 119.666 119.666 122.159 -2.493 18261 6293 1 9 . 1 1 62 62 SER HA H 62 4.902 4.902 4.878 0.024 18261 6294 1 9 . 1 1 62 62 SER C C 62 173.207 173.207 173.999 -0.792 18261 6295 1 9 . 1 1 62 62 SER CA C 62 56.193 56.193 56.061 0.132 18261 6296 1 9 . 1 1 62 62 SER CB C 62 63.781 63.781 63.396 0.385 18261 6297 1 9 . 1 1 62 62 SER H H 62 7.788 7.788 7.988 -0.200 18261 6298 1 9 . 1 1 63 63 PRO HA H 63 4.313 4.313 4.283 0.030 18261 6299 1 9 . 1 1 63 63 PRO CA C 63 65.746 65.746 65.751 -0.005 18261 6300 1 9 . 1 1 63 63 PRO CB C 63 32.147 32.147 31.659 0.488 18261 6301 1 9 . 1 1 64 64 ASN HA H 64 4.550 4.550 4.474 0.076 18261 6302 1 9 . 1 1 64 64 ASN CA C 64 56.202 56.202 56.261 -0.059 18261 6303 1 9 . 1 1 64 64 ASN CB C 64 38.000 38.000 37.569 0.431 18261 6304 1 9 . 1 1 65 65 LYS N N 65 120.530 120.530 120.100 0.430 18261 6305 1 9 . 1 1 65 65 LYS HA H 65 4.197 4.197 4.088 0.109 18261 6306 1 9 . 1 1 65 65 LYS C C 65 178.999 178.999 178.800 0.199 18261 6307 1 9 . 1 1 65 65 LYS CA C 65 58.250 58.250 59.021 -0.771 18261 6308 1 9 . 1 1 65 65 LYS CB C 65 32.498 32.498 32.292 0.206 18261 6309 1 9 . 1 1 65 65 LYS H H 65 7.770 7.770 8.033 -0.263 18261 6310 1 9 . 1 1 66 66 LEU N N 66 118.804 118.804 120.030 -1.226 18261 6311 1 9 . 1 1 66 66 LEU HA H 66 4.070 4.070 4.108 -0.038 18261 6312 1 9 . 1 1 66 66 LEU C C 66 178.928 178.928 179.088 -0.160 18261 6313 1 9 . 1 1 66 66 LEU CA C 66 57.928 57.928 57.529 0.399 18261 6314 1 9 . 1 1 66 66 LEU CB C 66 41.329 41.329 41.548 -0.219 18261 6315 1 9 . 1 1 66 66 LEU H H 66 7.932 7.932 7.514 0.418 18261 6316 1 9 . 1 1 67 67 GLN N N 67 119.307 119.307 119.846 -0.539 18261 6317 1 9 . 1 1 67 67 GLN HA H 67 4.224 4.224 4.063 0.161 18261 6318 1 9 . 1 1 67 67 GLN C C 67 178.789 178.789 178.150 0.639 18261 6319 1 9 . 1 1 67 67 GLN CA C 67 58.862 58.862 59.278 -0.416 18261 6320 1 9 . 1 1 67 67 GLN CB C 67 28.052 28.052 28.840 -0.788 18261 6321 1 9 . 1 1 67 67 GLN H H 67 8.160 8.160 8.679 -0.519 18261 6322 1 9 . 1 1 68 68 ALA N N 68 122.124 122.124 121.615 0.509 18261 6323 1 9 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.138 0.052 18261 6324 1 9 . 1 1 68 68 ALA C C 68 180.320 180.320 179.476 0.844 18261 6325 1 9 . 1 1 68 68 ALA CA C 68 55.282 55.282 54.838 0.444 18261 6326 1 9 . 1 1 68 68 ALA CB C 68 18.251 18.251 18.391 -0.140 18261 6327 1 9 . 1 1 68 68 ALA H H 68 7.844 7.844 7.636 0.208 18261 6328 1 9 . 1 1 69 69 LEU N N 69 119.481 119.481 118.849 0.632 18261 6329 1 9 . 1 1 69 69 LEU HA H 69 3.912 3.912 3.731 0.181 18261 6330 1 9 . 1 1 69 69 LEU C C 69 178.864 178.864 178.808 0.056 18261 6331 1 9 . 1 1 69 69 LEU CA C 69 57.904 57.904 57.492 0.412 18261 6332 1 9 . 1 1 69 69 LEU CB C 69 41.052 41.052 40.788 0.264 18261 6333 1 9 . 1 1 69 69 LEU H H 69 7.819 7.819 7.727 0.092 18261 6334 1 9 . 1 1 70 70 ASN N N 70 119.633 119.633 118.806 0.827 18261 6335 1 9 . 1 1 70 70 ASN HA H 70 4.553 4.553 4.675 -0.122 18261 6336 1 9 . 1 1 70 70 ASN C C 70 177.483 177.483 177.834 -0.351 18261 6337 1 9 . 1 1 70 70 ASN CA C 70 57.125 57.125 56.819 0.306 18261 6338 1 9 . 1 1 70 70 ASN CB C 70 38.392 38.392 38.735 -0.343 18261 6339 1 9 . 1 1 70 70 ASN H H 70 8.265 8.265 7.740 0.525 18261 6340 1 9 . 1 1 71 71 MET N N 71 118.024 118.024 119.311 -1.287 18261 6341 1 9 . 1 1 71 71 MET HA H 71 4.201 4.201 4.266 -0.065 18261 6342 1 9 . 1 1 71 71 MET C C 71 178.279 178.279 178.867 -0.588 18261 6343 1 9 . 1 1 71 71 MET CA C 71 59.445 59.445 59.410 0.035 18261 6344 1 9 . 1 1 71 71 MET CB C 71 32.313 32.313 32.663 -0.350 18261 6345 1 9 . 1 1 71 71 MET H H 71 8.098 8.098 7.659 0.439 18261 6346 1 9 . 1 1 72 72 ARG N N 72 121.985 121.985 119.805 2.180 18261 6347 1 9 . 1 1 72 72 ARG HA H 72 3.981 3.981 3.975 0.006 18261 6348 1 9 . 1 1 72 72 ARG C C 72 179.059 179.059 178.834 0.225 18261 6349 1 9 . 1 1 72 72 ARG CA C 72 59.058 59.058 59.756 -0.698 18261 6350 1 9 . 1 1 72 72 ARG CB C 72 30.120 30.120 30.058 0.062 18261 6351 1 9 . 1 1 72 72 ARG H H 72 8.292 8.292 8.175 0.117 18261 6352 1 9 . 1 1 73 73 PHE N N 73 122.085 122.085 120.146 1.939 18261 6353 1 9 . 1 1 73 73 PHE HA H 73 4.529 4.529 4.057 0.472 18261 6354 1 9 . 1 1 73 73 PHE C C 73 177.258 177.258 176.675 0.583 18261 6355 1 9 . 1 1 73 73 PHE CA C 73 59.248 59.248 60.747 -1.499 18261 6356 1 9 . 1 1 73 73 PHE CB C 73 39.527 39.527 38.715 0.812 18261 6357 1 9 . 1 1 73 73 PHE H H 73 8.703 8.703 8.278 0.425 18261 6358 1 9 . 1 1 74 74 ALA N N 74 119.273 119.273 120.904 -1.631 18261 6359 1 9 . 1 1 74 74 ALA HA H 74 3.764 3.764 3.727 0.037 18261 6360 1 9 . 1 1 74 74 ALA C C 74 179.374 179.374 179.447 -0.073 18261 6361 1 9 . 1 1 74 74 ALA CA C 74 55.324 55.324 55.038 0.287 18261 6362 1 9 . 1 1 74 74 ALA CB C 74 20.509 20.509 18.660 1.849 18261 6363 1 9 . 1 1 74 74 ALA H H 74 8.598 8.598 7.838 0.760 18261 6364 1 9 . 1 1 75 75 SER N N 75 113.611 113.611 113.485 0.126 18261 6365 1 9 . 1 1 75 75 SER HA H 75 3.636 3.636 4.220 -0.584 18261 6366 1 9 . 1 1 75 75 SER CA C 75 61.936 61.936 61.580 0.356 18261 6367 1 9 . 1 1 75 75 SER CB C 75 61.869 61.869 62.378 -0.509 18261 6368 1 9 . 1 1 75 75 SER H H 75 8.780 8.780 8.356 0.424 18261 6369 1 9 . 1 1 76 76 SER N N 76 119.013 119.013 119.496 -0.483 18261 6370 1 9 . 1 1 76 76 SER HA H 76 4.310 4.310 4.260 0.050 18261 6371 1 9 . 1 1 76 76 SER CA C 76 62.536 62.536 61.571 0.965 18261 6372 1 9 . 1 1 76 76 SER CB C 76 62.943 62.943 63.082 -0.139 18261 6373 1 9 . 1 1 76 76 SER H H 76 8.210 8.210 7.911 0.299 18261 6374 1 9 . 1 1 77 77 MET N N 77 120.105 120.105 120.666 -0.561 18261 6375 1 9 . 1 1 77 77 MET HA H 77 4.027 4.027 4.127 -0.100 18261 6376 1 9 . 1 1 77 77 MET C C 77 178.354 178.354 177.755 0.599 18261 6377 1 9 . 1 1 77 77 MET CA C 77 59.954 59.954 58.745 1.209 18261 6378 1 9 . 1 1 77 77 MET CB C 77 34.616 34.616 32.392 2.224 18261 6379 1 9 . 1 1 77 77 MET H H 77 8.005 8.005 7.378 0.627 18261 6380 1 9 . 1 1 78 78 ALA N N 78 121.530 121.530 123.025 -1.495 18261 6381 1 9 . 1 1 78 78 ALA HA H 78 3.933 3.933 4.006 -0.073 18261 6382 1 9 . 1 1 78 78 ALA C C 78 178.354 178.354 179.612 -1.258 18261 6383 1 9 . 1 1 78 78 ALA CA C 78 55.427 55.427 55.549 -0.122 18261 6384 1 9 . 1 1 78 78 ALA CB C 78 20.344 20.344 17.841 2.503 18261 6385 1 9 . 1 1 78 78 ALA H H 78 8.550 8.550 8.027 0.523 18261 6386 1 9 . 1 1 79 79 GLU N N 79 117.137 117.137 118.056 -0.919 18261 6387 1 9 . 1 1 79 79 GLU HA H 79 3.919 3.919 4.026 -0.107 18261 6388 1 9 . 1 1 79 79 GLU C C 79 178.894 178.894 179.175 -0.281 18261 6389 1 9 . 1 1 79 79 GLU CA C 79 59.445 59.445 59.303 0.142 18261 6390 1 9 . 1 1 79 79 GLU CB C 79 29.895 29.895 29.503 0.392 18261 6391 1 9 . 1 1 79 79 GLU H H 79 7.737 7.737 7.647 0.090 18261 6392 1 9 . 1 1 80 80 ILE N N 80 118.063 118.063 118.997 -0.934 18261 6393 1 9 . 1 1 80 80 ILE HA H 80 3.932 3.932 3.849 0.083 18261 6394 1 9 . 1 1 80 80 ILE C C 80 179.014 179.014 177.293 1.721 18261 6395 1 9 . 1 1 80 80 ILE CA C 80 63.727 63.727 64.660 -0.933 18261 6396 1 9 . 1 1 80 80 ILE CB C 80 38.208 38.208 37.989 0.219 18261 6397 1 9 . 1 1 80 80 ILE H H 80 7.239 7.239 7.246 -0.007 18261 6398 1 9 . 1 1 81 81 ALA N N 81 121.494 121.494 120.215 1.279 18261 6399 1 9 . 1 1 81 81 ALA HA H 81 3.961 3.961 4.303 -0.342 18261 6400 1 9 . 1 1 81 81 ALA C C 81 177.258 177.258 178.980 -1.722 18261 6401 1 9 . 1 1 81 81 ALA CA C 81 54.668 54.668 54.388 0.280 18261 6402 1 9 . 1 1 81 81 ALA CB C 81 17.887 17.887 19.415 -1.528 18261 6403 1 9 . 1 1 81 81 ALA H H 81 8.495 8.495 8.024 0.471 18261 6404 1 9 . 1 1 82 82 ALA N N 82 116.416 116.416 120.093 -3.677 18261 6405 1 9 . 1 1 82 82 ALA HA H 82 4.316 4.316 4.154 0.162 18261 6406 1 9 . 1 1 82 82 ALA C C 82 177.693 177.693 178.332 -0.639 18261 6407 1 9 . 1 1 82 82 ALA CA C 82 52.630 52.630 53.398 -0.768 18261 6408 1 9 . 1 1 82 82 ALA CB C 82 19.224 19.224 19.178 0.046 18261 6409 1 9 . 1 1 82 82 ALA H H 82 8.034 8.034 8.058 -0.024 18261 6410 1 9 . 1 1 83 83 SER N N 83 112.672 112.672 114.860 -2.188 18261 6411 1 9 . 1 1 83 83 SER HA H 83 4.299 4.299 4.345 -0.046 18261 6412 1 9 . 1 1 83 83 SER C C 83 174.856 174.856 173.915 0.941 18261 6413 1 9 . 1 1 83 83 SER CA C 83 59.329 59.329 57.875 1.454 18261 6414 1 9 . 1 1 83 83 SER CB C 83 63.943 63.943 62.384 1.559 18261 6415 1 9 . 1 1 83 83 SER H H 83 7.437 7.437 8.019 -0.582 18261 6416 1 9 . 1 1 84 84 GLU N N 84 122.890 122.890 124.906 -2.016 18261 6417 1 9 . 1 1 84 84 GLU HA H 84 4.420 4.420 4.129 0.291 18261 6418 1 9 . 1 1 84 84 GLU C C 84 176.597 176.597 176.177 0.420 18261 6419 1 9 . 1 1 84 84 GLU CA C 84 56.586 56.586 57.652 -1.066 18261 6420 1 9 . 1 1 84 84 GLU CB C 84 30.648 30.648 29.700 0.948 18261 6421 1 9 . 1 1 84 84 GLU H H 84 8.245 8.245 7.966 0.279 18261 6422 1 9 . 1 1 85 85 GLU N N 85 122.062 122.062 125.274 -3.212 18261 6423 1 9 . 1 1 85 85 GLU HA H 85 4.285 4.285 4.430 -0.145 18261 6424 1 9 . 1 1 85 85 GLU C C 85 177.258 177.258 175.669 1.589 18261 6425 1 9 . 1 1 85 85 GLU CA C 85 57.128 57.128 55.705 1.423 18261 6426 1 9 . 1 1 85 85 GLU CB C 85 30.121 30.121 31.320 -1.199 18261 6427 1 9 . 1 1 85 85 GLU H H 85 8.477 8.477 8.271 0.206 18261 6428 1 9 . 1 1 86 86 GLY N N 86 110.431 110.431 112.990 -2.559 18261 6429 1 9 . 1 1 86 86 GLY C C 86 174.856 174.856 173.706 1.150 18261 6430 1 9 . 1 1 86 86 GLY CA C 86 45.654 45.654 44.870 0.784 18261 6431 1 9 . 1 1 86 86 GLY H H 86 8.563 8.563 8.601 -0.038 18261 6432 1 9 . 1 1 87 87 GLY N N 87 108.508 108.508 111.053 -2.545 18261 6433 1 9 . 1 1 87 87 GLY C C 87 174.436 174.436 173.374 1.062 18261 6434 1 9 . 1 1 87 87 GLY CA C 87 45.396 45.396 44.791 0.605 18261 6435 1 9 . 1 1 87 87 GLY H H 87 8.274 8.274 8.081 0.193 18261 6436 1 9 . 1 1 88 88 GLY N N 88 107.821 107.821 110.124 -2.303 18261 6437 1 9 . 1 1 88 88 GLY C C 88 173.325 173.325 172.719 0.606 18261 6438 1 9 . 1 1 88 88 GLY CA C 88 44.814 44.814 45.162 -0.348 18261 6439 1 9 . 1 1 88 88 GLY H H 88 8.105 8.105 8.451 -0.346 18261 6440 1 9 . 1 1 89 89 SER N N 89 115.747 115.747 116.502 -0.755 18261 6441 1 9 . 1 1 89 89 SER HA H 89 4.582 4.582 4.410 0.172 18261 6442 1 9 . 1 1 89 89 SER C C 89 175.066 175.066 175.763 -0.697 18261 6443 1 9 . 1 1 89 89 SER CA C 89 57.256 57.256 57.550 -0.294 18261 6444 1 9 . 1 1 89 89 SER CB C 89 65.130 65.130 63.986 1.144 18261 6445 1 9 . 1 1 89 89 SER H H 89 8.476 8.476 8.321 0.155 18261 6446 1 9 . 1 1 90 90 LEU N N 90 124.735 124.735 127.813 -3.078 18261 6447 1 9 . 1 1 90 90 LEU HA H 90 4.106 4.106 4.165 -0.059 18261 6448 1 9 . 1 1 90 90 LEU C C 90 179.434 179.434 178.213 1.221 18261 6449 1 9 . 1 1 90 90 LEU CA C 90 58.434 58.434 57.521 0.913 18261 6450 1 9 . 1 1 90 90 LEU CB C 90 41.377 41.377 41.926 -0.549 18261 6451 1 9 . 1 1 90 90 LEU H H 90 8.860 8.860 8.735 0.125 18261 6452 1 9 . 1 1 91 91 SER N N 91 113.851 113.851 113.785 0.066 18261 6453 1 9 . 1 1 91 91 SER C C 91 177.325 177.325 176.292 1.033 18261 6454 1 9 . 1 1 91 91 SER CA C 91 61.261 61.261 62.123 -0.862 18261 6455 1 9 . 1 1 91 91 SER CB C 91 62.010 62.010 62.623 -0.613 18261 6456 1 9 . 1 1 91 91 SER H H 91 8.537 8.537 7.994 0.543 18261 6457 1 9 . 1 1 92 92 THR N N 92 120.889 120.889 117.370 3.519 18261 6458 1 9 . 1 1 92 92 THR HA H 92 3.993 3.993 4.009 -0.016 18261 6459 1 9 . 1 1 92 92 THR C C 92 176.162 176.162 176.511 -0.349 18261 6460 1 9 . 1 1 92 92 THR CA C 92 66.467 66.467 67.243 -0.776 18261 6461 1 9 . 1 1 92 92 THR CB C 92 68.285 68.285 68.452 -0.167 18261 6462 1 9 . 1 1 92 92 THR H H 92 7.795 7.795 7.827 -0.032 18261 6463 1 9 . 1 1 93 93 LYS N N 93 120.210 120.210 121.547 -1.337 18261 6464 1 9 . 1 1 93 93 LYS HA H 93 3.798 3.798 3.916 -0.118 18261 6465 1 9 . 1 1 93 93 LYS CA C 93 61.044 61.044 59.003 2.041 18261 6466 1 9 . 1 1 93 93 LYS CB C 93 33.470 33.470 31.938 1.532 18261 6467 1 9 . 1 1 93 93 LYS H H 93 8.098 8.098 7.687 0.411 18261 6468 1 9 . 1 1 94 94 THR N N 94 111.485 111.485 116.636 -5.151 18261 6469 1 9 . 1 1 94 94 THR HA H 94 3.936 3.936 4.102 -0.166 18261 6470 1 9 . 1 1 94 94 THR C C 94 177.033 177.033 177.031 0.002 18261 6471 1 9 . 1 1 94 94 THR CA C 94 66.974 66.974 66.614 0.360 18261 6472 1 9 . 1 1 94 94 THR CB C 94 68.013 68.013 68.296 -0.283 18261 6473 1 9 . 1 1 94 94 THR H H 94 8.891 8.891 8.630 0.261 18261 6474 1 9 . 1 1 95 95 SER N N 95 118.938 118.938 117.722 1.216 18261 6475 1 9 . 1 1 95 95 SER HA H 95 4.394 4.394 4.331 0.063 18261 6476 1 9 . 1 1 95 95 SER C C 95 177.828 177.828 176.760 1.068 18261 6477 1 9 . 1 1 95 95 SER CA C 95 61.990 61.990 61.509 0.481 18261 6478 1 9 . 1 1 95 95 SER CB C 95 62.580 62.580 62.642 -0.062 18261 6479 1 9 . 1 1 95 95 SER H H 95 8.118 8.118 7.997 0.121 18261 6480 1 9 . 1 1 96 96 SER N N 96 121.520 121.520 119.081 2.439 18261 6481 1 9 . 1 1 96 96 SER HA H 96 4.457 4.457 4.341 0.116 18261 6482 1 9 . 1 1 96 96 SER CA C 96 62.695 62.695 62.146 0.549 18261 6483 1 9 . 1 1 96 96 SER CB C 96 62.796 62.796 63.111 -0.315 18261 6484 1 9 . 1 1 96 96 SER H H 96 8.603 8.603 7.574 1.029 18261 6485 1 9 . 1 1 97 97 ILE N N 97 122.420 122.420 122.374 0.046 18261 6486 1 9 . 1 1 97 97 ILE HA H 97 3.792 3.792 3.750 0.042 18261 6487 1 9 . 1 1 97 97 ILE C C 97 177.693 177.693 177.751 -0.058 18261 6488 1 9 . 1 1 97 97 ILE CA C 97 66.722 66.722 65.392 1.330 18261 6489 1 9 . 1 1 97 97 ILE CB C 97 38.645 38.645 37.825 0.820 18261 6490 1 9 . 1 1 97 97 ILE H H 97 8.516 8.516 7.527 0.989 18261 6491 1 9 . 1 1 98 98 ALA N N 98 122.031 122.031 122.176 -0.145 18261 6492 1 9 . 1 1 98 98 ALA HA H 98 4.063 4.063 4.193 -0.130 18261 6493 1 9 . 1 1 98 98 ALA C C 98 180.740 180.740 179.781 0.959 18261 6494 1 9 . 1 1 98 98 ALA CA C 98 56.158 56.158 55.149 1.009 18261 6495 1 9 . 1 1 98 98 ALA CB C 98 18.347 18.347 18.573 -0.226 18261 6496 1 9 . 1 1 98 98 ALA H H 98 8.437 8.437 7.828 0.609 18261 6497 1 9 . 1 1 99 99 SER N N 99 115.676 115.676 114.562 1.114 18261 6498 1 9 . 1 1 99 99 SER HA H 99 4.369 4.369 4.190 0.179 18261 6499 1 9 . 1 1 99 99 SER C C 99 177.168 177.168 176.563 0.605 18261 6500 1 9 . 1 1 99 99 SER CA C 99 61.959 61.959 61.721 0.238 18261 6501 1 9 . 1 1 99 99 SER CB C 99 63.160 63.160 63.015 0.145 18261 6502 1 9 . 1 1 99 99 SER H H 99 8.611 8.611 7.857 0.754 18261 6503 1 9 . 1 1 100 100 ALA N N 100 124.275 124.275 125.113 -0.838 18261 6504 1 9 . 1 1 100 100 ALA HA H 100 4.243 4.243 3.971 0.272 18261 6505 1 9 . 1 1 100 100 ALA C C 100 181.851 181.851 179.680 2.171 18261 6506 1 9 . 1 1 100 100 ALA CA C 100 55.321 55.321 54.731 0.590 18261 6507 1 9 . 1 1 100 100 ALA CB C 100 18.479 18.479 18.083 0.396 18261 6508 1 9 . 1 1 100 100 ALA H H 100 8.973 8.973 7.573 1.400 18261 6509 1 9 . 1 1 101 101 MET N N 101 118.986 118.986 118.530 0.456 18261 6510 1 9 . 1 1 101 101 MET HA H 101 4.063 4.063 4.165 -0.102 18261 6511 1 9 . 1 1 101 101 MET C C 101 177.483 177.483 178.741 -1.258 18261 6512 1 9 . 1 1 101 101 MET CA C 101 60.999 60.999 60.089 0.910 18261 6513 1 9 . 1 1 101 101 MET CB C 101 34.583 34.583 32.937 1.647 18261 6514 1 9 . 1 1 101 101 MET H H 101 9.072 9.072 8.588 0.484 18261 6515 1 9 . 1 1 102 102 SER N N 102 116.650 116.650 115.212 1.438 18261 6516 1 9 . 1 1 102 102 SER HA H 102 4.370 4.370 4.179 0.191 18261 6517 1 9 . 1 1 102 102 SER C C 102 176.357 176.357 176.919 -0.562 18261 6518 1 9 . 1 1 102 102 SER CA C 102 63.278 63.278 62.196 1.082 18261 6519 1 9 . 1 1 102 102 SER CB C 102 62.523 62.523 63.215 -0.692 18261 6520 1 9 . 1 1 102 102 SER H H 102 8.673 8.673 8.546 0.127 18261 6521 1 9 . 1 1 103 103 ASN N N 103 118.060 118.060 120.056 -1.996 18261 6522 1 9 . 1 1 103 103 ASN HA H 103 4.477 4.477 4.502 -0.025 18261 6523 1 9 . 1 1 103 103 ASN C C 103 176.603 176.603 177.486 -0.883 18261 6524 1 9 . 1 1 103 103 ASN CA C 103 56.564 56.564 55.892 0.672 18261 6525 1 9 . 1 1 103 103 ASN CB C 103 38.362 38.362 38.393 -0.031 18261 6526 1 9 . 1 1 103 103 ASN H H 103 8.098 8.098 8.459 -0.361 18261 6527 1 9 . 1 1 104 104 ALA N N 104 122.235 122.235 122.103 0.132 18261 6528 1 9 . 1 1 104 104 ALA HA H 104 4.255 4.255 4.063 0.192 18261 6529 1 9 . 1 1 104 104 ALA C C 104 181.701 181.701 179.742 1.959 18261 6530 1 9 . 1 1 104 104 ALA CA C 104 54.815 54.815 55.026 -0.212 18261 6531 1 9 . 1 1 104 104 ALA CB C 104 18.177 18.177 18.372 -0.195 18261 6532 1 9 . 1 1 104 104 ALA H H 104 7.919 7.919 8.038 -0.119 18261 6533 1 9 . 1 1 105 105 PHE N N 105 119.159 119.159 120.685 -1.526 18261 6534 1 9 . 1 1 105 105 PHE HA H 105 4.401 4.401 4.771 -0.370 18261 6535 1 9 . 1 1 105 105 PHE C C 105 179.224 179.224 177.886 1.338 18261 6536 1 9 . 1 1 105 105 PHE CA C 105 63.744 63.744 59.818 3.926 18261 6537 1 9 . 1 1 105 105 PHE CB C 105 39.417 39.417 39.709 -0.292 18261 6538 1 9 . 1 1 105 105 PHE H H 105 8.615 8.615 8.572 0.043 18261 6539 1 9 . 1 1 106 106 LEU N N 106 121.765 121.765 118.990 2.775 18261 6540 1 9 . 1 1 106 106 LEU HA H 106 3.741 3.741 4.062 -0.321 18261 6541 1 9 . 1 1 106 106 LEU C C 106 179.074 179.074 178.448 0.626 18261 6542 1 9 . 1 1 106 106 LEU CA C 106 59.086 59.086 58.124 0.962 18261 6543 1 9 . 1 1 106 106 LEU CB C 106 41.265 41.265 41.827 -0.562 18261 6544 1 9 . 1 1 106 106 LEU H H 106 8.259 8.259 8.483 -0.224 18261 6545 1 9 . 1 1 107 107 GLN N N 107 114.755 114.755 116.938 -2.183 18261 6546 1 9 . 1 1 107 107 GLN HA H 107 4.189 4.189 4.330 -0.141 18261 6547 1 9 . 1 1 107 107 GLN C C 107 176.822 176.822 177.646 -0.824 18261 6548 1 9 . 1 1 107 107 GLN CA C 107 57.461 57.461 57.772 -0.311 18261 6549 1 9 . 1 1 107 107 GLN CB C 107 29.393 29.393 28.663 0.730 18261 6550 1 9 . 1 1 107 107 GLN H H 107 8.176 8.176 7.898 0.278 18261 6551 1 9 . 1 1 108 108 THR N N 108 108.074 108.074 113.276 -5.202 18261 6552 1 9 . 1 1 108 108 THR HA H 108 4.517 4.517 4.295 0.222 18261 6553 1 9 . 1 1 108 108 THR C C 108 175.952 175.952 175.879 0.073 18261 6554 1 9 . 1 1 108 108 THR CA C 108 62.526 62.526 64.875 -2.349 18261 6555 1 9 . 1 1 108 108 THR CB C 108 70.320 70.320 68.984 1.336 18261 6556 1 9 . 1 1 108 108 THR H H 108 7.740 7.740 7.716 0.024 18261 6557 1 9 . 1 1 109 109 THR N N 109 113.029 113.029 113.622 -0.593 18261 6558 1 9 . 1 1 109 109 THR HA H 109 4.620 4.620 4.352 0.268 18261 6559 1 9 . 1 1 109 109 THR C C 109 176.162 176.162 175.787 0.375 18261 6560 1 9 . 1 1 109 109 THR CA C 109 62.255 62.255 61.736 0.519 18261 6561 1 9 . 1 1 109 109 THR CB C 109 70.768 70.768 69.268 1.500 18261 6562 1 9 . 1 1 109 109 THR H H 109 8.869 8.869 7.559 1.310 18261 6563 1 9 . 1 1 110 110 GLY N N 110 109.433 109.433 110.308 -0.875 18261 6564 1 9 . 1 1 110 110 GLY C C 110 172.889 172.889 173.839 -0.950 18261 6565 1 9 . 1 1 110 110 GLY CA C 110 45.555 45.555 45.221 0.334 18261 6566 1 9 . 1 1 110 110 GLY H H 110 8.298 8.298 7.844 0.454 18261 6567 1 9 . 1 1 111 111 VAL N N 111 119.167 119.167 119.892 -0.725 18261 6568 1 9 . 1 1 111 111 VAL HA H 111 4.266 4.266 4.264 0.002 18261 6569 1 9 . 1 1 111 111 VAL C C 111 174.421 174.421 174.866 -0.445 18261 6570 1 9 . 1 1 111 111 VAL CA C 111 60.783 60.783 60.066 0.717 18261 6571 1 9 . 1 1 111 111 VAL CB C 111 35.394 35.394 34.949 0.445 18261 6572 1 9 . 1 1 111 111 VAL H H 111 7.786 7.786 7.336 0.450 18261 6573 1 9 . 1 1 112 112 VAL N N 112 124.920 124.920 123.454 1.466 18261 6574 1 9 . 1 1 112 112 VAL HA H 112 3.251 3.251 4.519 -1.268 18261 6575 1 9 . 1 1 112 112 VAL C C 112 174.646 174.646 174.895 -0.249 18261 6576 1 9 . 1 1 112 112 VAL CA C 112 64.409 64.409 61.483 2.926 18261 6577 1 9 . 1 1 112 112 VAL CB C 112 32.626 32.626 32.914 -0.288 18261 6578 1 9 . 1 1 112 112 VAL H H 112 8.721 8.721 8.289 0.432 18261 6579 1 9 . 1 1 113 113 ASN HA H 113 4.505 4.505 4.849 -0.344 18261 6580 1 9 . 1 1 113 113 ASN CA C 113 50.080 50.080 52.323 -2.243 18261 6581 1 9 . 1 1 113 113 ASN CB C 113 36.910 36.910 38.614 -1.704 18261 6582 1 9 . 1 1 114 114 GLN N N 114 123.939 123.939 127.346 -3.407 18261 6583 1 9 . 1 1 114 114 GLN HA H 114 3.944 3.944 4.126 -0.182 18261 6584 1 9 . 1 1 114 114 GLN C C 114 174.811 174.811 175.202 -0.391 18261 6585 1 9 . 1 1 114 114 GLN CA C 114 59.348 59.348 60.254 -0.906 18261 6586 1 9 . 1 1 114 114 GLN CB C 114 26.505 26.505 26.759 -0.254 18261 6587 1 9 . 1 1 114 114 GLN H H 114 8.368 8.368 8.538 -0.170 18261 6588 1 9 . 1 1 115 115 PRO HA H 115 4.243 4.243 4.049 0.194 18261 6589 1 9 . 1 1 115 115 PRO CA C 115 66.602 66.602 65.509 1.093 18261 6590 1 9 . 1 1 115 115 PRO CB C 115 31.215 31.215 30.801 0.414 18261 6591 1 9 . 1 1 116 116 PHE N N 116 117.612 117.612 114.533 3.079 18261 6592 1 9 . 1 1 116 116 PHE HA H 116 4.209 4.209 4.621 -0.412 18261 6593 1 9 . 1 1 116 116 PHE C C 116 176.597 176.597 178.165 -1.568 18261 6594 1 9 . 1 1 116 116 PHE CA C 116 61.261 61.261 60.210 1.051 18261 6595 1 9 . 1 1 116 116 PHE CB C 116 39.506 39.506 38.626 0.880 18261 6596 1 9 . 1 1 116 116 PHE H H 116 7.249 7.249 7.272 -0.023 18261 6597 1 9 . 1 1 117 117 ILE N N 117 119.233 119.233 119.545 -0.312 18261 6598 1 9 . 1 1 117 117 ILE HA H 117 3.537 3.537 3.805 -0.268 18261 6599 1 9 . 1 1 117 117 ILE C C 117 178.789 178.789 177.556 1.233 18261 6600 1 9 . 1 1 117 117 ILE CA C 117 65.677 65.677 65.002 0.675 18261 6601 1 9 . 1 1 117 117 ILE CB C 117 38.125 38.125 37.562 0.563 18261 6602 1 9 . 1 1 117 117 ILE H H 117 7.652 7.652 8.256 -0.604 18261 6603 1 9 . 1 1 118 118 ASN N N 118 119.875 119.875 119.372 0.503 18261 6604 1 9 . 1 1 118 118 ASN HA H 118 4.304 4.304 4.545 -0.241 18261 6605 1 9 . 1 1 118 118 ASN C C 118 177.033 177.033 177.901 -0.868 18261 6606 1 9 . 1 1 118 118 ASN CA C 118 55.716 55.716 56.135 -0.419 18261 6607 1 9 . 1 1 118 118 ASN CB C 118 37.423 37.423 37.807 -0.384 18261 6608 1 9 . 1 1 118 118 ASN H H 118 8.975 8.975 7.677 1.298 18261 6609 1 9 . 1 1 119 119 GLU N N 119 121.029 121.029 120.962 0.067 18261 6610 1 9 . 1 1 119 119 GLU HA H 119 4.026 4.026 4.070 -0.044 18261 6611 1 9 . 1 1 119 119 GLU C C 119 178.564 178.564 179.008 -0.444 18261 6612 1 9 . 1 1 119 119 GLU CA C 119 59.426 59.426 59.343 0.083 18261 6613 1 9 . 1 1 119 119 GLU CB C 119 29.646 29.646 29.718 -0.072 18261 6614 1 9 . 1 1 119 119 GLU H H 119 8.120 8.120 7.489 0.631 18261 6615 1 9 . 1 1 120 120 ILE N N 120 117.654 117.654 119.525 -1.871 18261 6616 1 9 . 1 1 120 120 ILE HA H 120 3.734 3.734 3.875 -0.141 18261 6617 1 9 . 1 1 120 120 ILE C C 120 178.279 178.279 178.185 0.094 18261 6618 1 9 . 1 1 120 120 ILE CA C 120 62.756 62.756 65.255 -2.499 18261 6619 1 9 . 1 1 120 120 ILE CB C 120 35.645 35.645 37.942 -2.297 18261 6620 1 9 . 1 1 120 120 ILE H H 120 8.077 8.077 7.724 0.353 18261 6621 1 9 . 1 1 121 121 THR N N 121 112.585 112.585 114.596 -2.011 18261 6622 1 9 . 1 1 121 121 THR HA H 121 3.753 3.753 3.978 -0.225 18261 6623 1 9 . 1 1 121 121 THR C C 121 177.258 177.258 176.996 0.262 18261 6624 1 9 . 1 1 121 121 THR CA C 121 67.090 67.090 66.656 0.434 18261 6625 1 9 . 1 1 121 121 THR CB C 121 68.254 68.254 68.099 0.155 18261 6626 1 9 . 1 1 121 121 THR H H 121 8.640 8.640 8.047 0.593 18261 6627 1 9 . 1 1 122 122 GLN N N 122 123.063 123.063 121.170 1.893 18261 6628 1 9 . 1 1 122 122 GLN HA H 122 4.091 4.091 4.158 -0.067 18261 6629 1 9 . 1 1 122 122 GLN C C 122 179.014 179.014 178.732 0.282 18261 6630 1 9 . 1 1 122 122 GLN CA C 122 59.192 59.192 58.336 0.856 18261 6631 1 9 . 1 1 122 122 GLN CB C 122 28.020 28.020 27.979 0.041 18261 6632 1 9 . 1 1 122 122 GLN H H 122 8.111 8.111 7.696 0.415 18261 6633 1 9 . 1 1 123 123 LEU N N 123 120.494 120.494 121.065 -0.571 18261 6634 1 9 . 1 1 123 123 LEU HA H 123 3.841 3.841 3.923 -0.082 18261 6635 1 9 . 1 1 123 123 LEU C C 123 178.354 178.354 179.044 -0.690 18261 6636 1 9 . 1 1 123 123 LEU CA C 123 58.005 58.005 58.228 -0.223 18261 6637 1 9 . 1 1 123 123 LEU CB C 123 42.580 42.580 41.632 0.948 18261 6638 1 9 . 1 1 123 123 LEU H H 123 8.131 8.131 7.974 0.157 18261 6639 1 9 . 1 1 124 124 VAL N N 124 118.543 118.543 120.747 -2.204 18261 6640 1 9 . 1 1 124 124 VAL HA H 124 3.560 3.560 3.708 -0.148 18261 6641 1 9 . 1 1 124 124 VAL C C 124 177.453 177.453 178.575 -1.122 18261 6642 1 9 . 1 1 124 124 VAL CA C 124 67.297 67.297 67.015 0.282 18261 6643 1 9 . 1 1 124 124 VAL CB C 124 31.526 31.526 31.315 0.211 18261 6644 1 9 . 1 1 124 124 VAL H H 124 8.732 8.732 8.800 -0.068 18261 6645 1 9 . 1 1 125 125 SER N N 125 112.449 112.449 114.691 -2.242 18261 6646 1 9 . 1 1 125 125 SER HA H 125 4.044 4.044 4.159 -0.115 18261 6647 1 9 . 1 1 125 125 SER C C 125 175.937 175.937 176.481 -0.544 18261 6648 1 9 . 1 1 125 125 SER CA C 125 62.356 62.356 61.400 0.956 18261 6649 1 9 . 1 1 125 125 SER CB C 125 62.890 62.890 63.084 -0.194 18261 6650 1 9 . 1 1 125 125 SER H H 125 7.863 7.863 8.211 -0.348 18261 6651 1 9 . 1 1 126 126 MET N N 126 120.797 120.797 120.816 -0.019 18261 6652 1 9 . 1 1 126 126 MET HA H 126 4.051 4.051 4.160 -0.109 18261 6653 1 9 . 1 1 126 126 MET C C 126 179.254 179.254 178.188 1.066 18261 6654 1 9 . 1 1 126 126 MET CA C 126 58.939 58.939 58.902 0.037 18261 6655 1 9 . 1 1 126 126 MET CB C 126 32.625 32.625 32.584 0.041 18261 6656 1 9 . 1 1 126 126 MET H H 126 8.033 8.033 7.784 0.249 18261 6657 1 9 . 1 1 127 127 PHE N N 127 118.244 118.244 117.644 0.600 18261 6658 1 9 . 1 1 127 127 PHE HA H 127 4.398 4.398 4.221 0.177 18261 6659 1 9 . 1 1 127 127 PHE C C 127 178.128 178.128 176.731 1.397 18261 6660 1 9 . 1 1 127 127 PHE CA C 127 59.991 59.991 60.349 -0.358 18261 6661 1 9 . 1 1 127 127 PHE CB C 127 38.584 38.584 38.228 0.356 18261 6662 1 9 . 1 1 127 127 PHE H H 127 8.753 8.753 8.446 0.307 18261 6663 1 9 . 1 1 128 128 ALA N N 128 120.518 120.518 120.602 -0.084 18261 6664 1 9 . 1 1 128 128 ALA HA H 128 4.152 4.152 4.179 -0.027 18261 6665 1 9 . 1 1 128 128 ALA C C 128 178.789 178.789 180.213 -1.424 18261 6666 1 9 . 1 1 128 128 ALA CA C 128 54.570 54.570 55.057 -0.487 18261 6667 1 9 . 1 1 128 128 ALA CB C 128 19.373 19.373 18.518 0.855 18261 6668 1 9 . 1 1 128 128 ALA H H 128 8.681 8.681 7.953 0.728 18261 6669 1 9 . 1 1 129 129 GLN N N 129 115.315 115.315 119.090 -3.775 18261 6670 1 9 . 1 1 129 129 GLN HA H 129 4.197 4.197 4.103 0.094 18261 6671 1 9 . 1 1 129 129 GLN C C 129 177.258 177.258 178.318 -1.060 18261 6672 1 9 . 1 1 129 129 GLN CA C 129 57.519 57.519 58.489 -0.970 18261 6673 1 9 . 1 1 129 129 GLN CB C 129 29.271 29.271 28.360 0.911 18261 6674 1 9 . 1 1 129 129 GLN H H 129 7.835 7.835 8.385 -0.550 18261 6675 1 9 . 1 1 130 130 ALA N N 130 121.556 121.556 120.363 1.193 18261 6676 1 9 . 1 1 130 130 ALA HA H 130 4.285 4.285 4.386 -0.101 18261 6677 1 9 . 1 1 130 130 ALA C C 130 178.564 178.564 178.390 0.174 18261 6678 1 9 . 1 1 130 130 ALA CA C 130 53.823 53.823 52.855 0.968 18261 6679 1 9 . 1 1 130 130 ALA CB C 130 19.058 19.058 18.438 0.620 18261 6680 1 9 . 1 1 130 130 ALA H H 130 7.758 7.758 7.527 0.231 18261 6681 1 9 . 1 1 131 131 GLY N N 131 105.780 105.780 106.476 -0.696 18261 6682 1 9 . 1 1 131 131 GLY C C 131 173.970 173.970 174.635 -0.665 18261 6683 1 9 . 1 1 131 131 GLY CA C 131 45.702 45.702 44.486 1.216 18261 6684 1 9 . 1 1 131 131 GLY H H 131 8.222 8.222 7.912 0.310 18261 6685 1 9 . 1 1 132 132 MET N N 132 118.358 118.358 119.003 -0.645 18261 6686 1 9 . 1 1 132 132 MET HA H 132 4.540 4.540 4.388 0.152 18261 6687 1 9 . 1 1 132 132 MET C C 132 175.952 175.952 176.470 -0.518 18261 6688 1 9 . 1 1 132 132 MET CA C 132 55.611 55.611 57.215 -1.604 18261 6689 1 9 . 1 1 132 132 MET CB C 132 33.473 33.473 33.797 -0.324 18261 6690 1 9 . 1 1 132 132 MET H H 132 7.763 7.763 7.456 0.307 18261 6691 1 9 . 1 1 133 133 ASN N N 133 119.002 119.002 114.869 4.133 18261 6692 1 9 . 1 1 133 133 ASN HA H 133 4.725 4.725 4.755 -0.030 18261 6693 1 9 . 1 1 133 133 ASN C C 133 174.646 174.646 174.087 0.559 18261 6694 1 9 . 1 1 133 133 ASN CA C 133 53.512 53.512 53.815 -0.303 18261 6695 1 9 . 1 1 133 133 ASN CB C 133 39.301 39.301 39.971 -0.670 18261 6696 1 9 . 1 1 133 133 ASN H H 133 8.289 8.289 7.985 0.304 18261 6697 1 9 . 1 1 134 134 ASP N N 134 120.907 120.907 118.167 2.740 18261 6698 1 9 . 1 1 134 134 ASP HA H 134 4.659 4.659 4.338 0.321 18261 6699 1 9 . 1 1 134 134 ASP C C 134 176.162 176.162 175.277 0.885 18261 6700 1 9 . 1 1 134 134 ASP CA C 134 54.379 54.379 55.288 -0.909 18261 6701 1 9 . 1 1 134 134 ASP CB C 134 41.291 41.291 40.789 0.502 18261 6702 1 9 . 1 1 134 134 ASP H H 134 8.364 8.364 8.683 -0.319 18261 6703 1 9 . 1 1 135 135 VAL N N 135 119.971 119.971 117.172 2.799 18261 6704 1 9 . 1 1 135 135 VAL HA H 135 4.214 4.214 4.261 -0.047 18261 6705 1 9 . 1 1 135 135 VAL C C 135 176.162 176.162 174.778 1.384 18261 6706 1 9 . 1 1 135 135 VAL CA C 135 62.157 62.157 62.722 -0.565 18261 6707 1 9 . 1 1 135 135 VAL CB C 135 32.644 32.644 32.466 0.178 18261 6708 1 9 . 1 1 135 135 VAL H H 135 8.118 8.118 7.544 0.574 18261 6709 1 9 . 1 1 136 136 SER N N 136 119.918 119.918 118.278 1.640 18261 6710 1 9 . 1 1 136 136 SER HA H 136 4.462 4.462 4.698 -0.236 18261 6711 1 9 . 1 1 136 136 SER C C 136 173.325 173.325 174.421 -1.096 18261 6712 1 9 . 1 1 136 136 SER CA C 136 58.342 58.342 58.001 0.341 18261 6713 1 9 . 1 1 136 136 SER CB C 136 64.041 64.041 62.248 1.793 18261 6714 1 9 . 1 1 136 136 SER H H 136 8.410 8.410 8.143 0.267 18261 6715 1 10 . 1 1 3 3 GLY CA C 3 45.200 45.200 44.341 0.859 18261 6716 1 10 . 1 1 4 4 ASN N N 4 124.083 124.083 117.166 6.917 18261 6717 1 10 . 1 1 4 4 ASN HA H 4 4.530 4.530 4.694 -0.164 18261 6718 1 10 . 1 1 4 4 ASN C C 4 179.449 179.449 175.253 4.196 18261 6719 1 10 . 1 1 4 4 ASN CA C 4 54.803 54.803 54.111 0.692 18261 6720 1 10 . 1 1 4 4 ASN CB C 4 41.106 41.106 38.865 2.241 18261 6721 1 10 . 1 1 4 4 ASN H H 4 7.981 7.981 8.464 -0.483 18261 6722 1 10 . 1 1 6 6 HIS HA H 6 4.693 4.693 4.716 -0.023 18261 6723 1 10 . 1 1 6 6 HIS CA C 6 56.115 56.115 56.100 0.015 18261 6724 1 10 . 1 1 6 6 HIS CB C 6 31.011 31.011 29.022 1.989 18261 6725 1 10 . 1 1 7 7 THR N N 7 115.238 115.238 120.191 -4.953 18261 6726 1 10 . 1 1 7 7 THR HA H 7 4.318 4.318 4.547 -0.229 18261 6727 1 10 . 1 1 7 7 THR C C 7 173.970 173.970 173.494 0.476 18261 6728 1 10 . 1 1 7 7 THR CA C 7 62.099 62.099 61.814 0.285 18261 6729 1 10 . 1 1 7 7 THR CB C 7 69.779 69.779 69.687 0.092 18261 6730 1 10 . 1 1 7 7 THR H H 7 8.120 8.120 7.998 0.122 18261 6731 1 10 . 1 1 8 8 THR N N 8 115.713 115.713 121.361 -5.648 18261 6732 1 10 . 1 1 8 8 THR HA H 8 4.146 4.146 4.030 0.116 18261 6733 1 10 . 1 1 8 8 THR C C 8 172.664 172.664 172.532 0.132 18261 6734 1 10 . 1 1 8 8 THR CA C 8 58.349 58.349 59.221 -0.872 18261 6735 1 10 . 1 1 8 8 THR CB C 8 69.219 69.219 70.333 -1.114 18261 6736 1 10 . 1 1 8 8 THR H H 8 7.977 7.977 7.720 0.257 18261 6737 1 10 . 1 1 9 9 PRO HA H 9 3.939 3.939 4.158 -0.219 18261 6738 1 10 . 1 1 9 9 PRO CA C 9 62.965 62.965 64.032 -1.067 18261 6739 1 10 . 1 1 9 9 PRO CB C 9 30.610 30.610 30.792 -0.182 18261 6740 1 10 . 1 1 10 10 TRP N N 10 111.487 111.487 114.353 -2.866 18261 6741 1 10 . 1 1 10 10 TRP HA H 10 4.899 4.899 4.638 0.261 18261 6742 1 10 . 1 1 10 10 TRP C C 10 175.817 175.817 176.715 -0.898 18261 6743 1 10 . 1 1 10 10 TRP CA C 10 54.292 54.292 55.240 -0.948 18261 6744 1 10 . 1 1 10 10 TRP CB C 10 31.219 31.219 28.442 2.777 18261 6745 1 10 . 1 1 10 10 TRP H H 10 6.681 6.681 7.075 -0.394 18261 6746 1 10 . 1 1 11 11 THR N N 11 106.120 106.120 114.617 -8.497 18261 6747 1 10 . 1 1 11 11 THR HA H 11 3.905 3.905 4.182 -0.277 18261 6748 1 10 . 1 1 11 11 THR C C 11 173.970 173.970 174.437 -0.467 18261 6749 1 10 . 1 1 11 11 THR CA C 11 63.937 63.937 64.091 -0.154 18261 6750 1 10 . 1 1 11 11 THR CB C 11 69.242 69.242 69.242 0.000 18261 6751 1 10 . 1 1 11 11 THR H H 11 7.189 7.189 7.797 -0.608 18261 6752 1 10 . 1 1 12 12 ASN N N 12 116.403 116.403 114.934 1.469 18261 6753 1 10 . 1 1 12 12 ASN HA H 12 5.115 5.115 5.071 0.044 18261 6754 1 10 . 1 1 12 12 ASN C C 12 172.889 172.889 173.269 -0.380 18261 6755 1 10 . 1 1 12 12 ASN CA C 12 51.276 51.276 51.286 -0.010 18261 6756 1 10 . 1 1 12 12 ASN CB C 12 40.474 40.474 40.502 -0.028 18261 6757 1 10 . 1 1 12 12 ASN H H 12 7.282 7.282 7.765 -0.483 18261 6758 1 10 . 1 1 13 13 PRO HA H 13 4.210 4.210 4.602 -0.392 18261 6759 1 10 . 1 1 13 13 PRO CA C 13 65.516 65.516 65.152 0.364 18261 6760 1 10 . 1 1 13 13 PRO CB C 13 32.418 32.418 32.139 0.279 18261 6761 1 10 . 1 1 14 14 GLY N N 14 108.796 108.796 103.985 4.811 18261 6762 1 10 . 1 1 14 14 GLY C C 14 175.952 175.952 174.023 1.929 18261 6763 1 10 . 1 1 14 14 GLY CA C 14 47.073 47.073 44.631 2.442 18261 6764 1 10 . 1 1 14 14 GLY H H 14 8.363 8.363 8.354 0.009 18261 6765 1 10 . 1 1 15 15 LEU N N 15 124.473 124.473 120.535 3.938 18261 6766 1 10 . 1 1 15 15 LEU HA H 15 4.335 4.335 4.551 -0.216 18261 6767 1 10 . 1 1 15 15 LEU C C 15 178.564 178.564 176.762 1.802 18261 6768 1 10 . 1 1 15 15 LEU CA C 15 57.402 57.402 56.023 1.379 18261 6769 1 10 . 1 1 15 15 LEU CB C 15 41.600 41.600 43.006 -1.406 18261 6770 1 10 . 1 1 15 15 LEU H H 15 7.890 7.890 7.605 0.285 18261 6771 1 10 . 1 1 16 16 ALA N N 16 121.371 121.371 123.525 -2.154 18261 6772 1 10 . 1 1 16 16 ALA HA H 16 4.000 4.000 4.242 -0.242 18261 6773 1 10 . 1 1 16 16 ALA C C 16 179.104 179.104 179.474 -0.370 18261 6774 1 10 . 1 1 16 16 ALA CA C 16 56.360 56.360 55.669 0.691 18261 6775 1 10 . 1 1 16 16 ALA CB C 16 19.351 19.351 18.965 0.386 18261 6776 1 10 . 1 1 16 16 ALA H H 16 8.429 8.429 8.265 0.164 18261 6777 1 10 . 1 1 17 17 GLU N N 17 117.199 117.199 117.477 -0.278 18261 6778 1 10 . 1 1 17 17 GLU HA H 17 3.964 3.964 4.078 -0.114 18261 6779 1 10 . 1 1 17 17 GLU C C 17 177.993 177.993 178.857 -0.864 18261 6780 1 10 . 1 1 17 17 GLU CA C 17 59.543 59.543 59.365 0.178 18261 6781 1 10 . 1 1 17 17 GLU CB C 17 29.932 29.932 28.591 1.341 18261 6782 1 10 . 1 1 17 17 GLU H H 17 8.030 8.030 7.870 0.160 18261 6783 1 10 . 1 1 18 18 ASN N N 18 118.433 118.433 119.147 -0.714 18261 6784 1 10 . 1 1 18 18 ASN HA H 18 4.546 4.546 4.506 0.040 18261 6785 1 10 . 1 1 18 18 ASN C C 18 178.347 178.347 177.150 1.197 18261 6786 1 10 . 1 1 18 18 ASN CA C 18 56.226 56.226 56.778 -0.552 18261 6787 1 10 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.329 -0.205 18261 6788 1 10 . 1 1 18 18 ASN H H 18 8.075 8.075 8.237 -0.162 18261 6789 1 10 . 1 1 19 19 PHE N N 19 122.078 122.078 123.373 -1.295 18261 6790 1 10 . 1 1 19 19 PHE HA H 19 3.881 3.881 4.275 -0.394 18261 6791 1 10 . 1 1 19 19 PHE C C 19 176.837 176.837 177.421 -0.584 18261 6792 1 10 . 1 1 19 19 PHE CA C 19 62.230 62.230 61.844 0.386 18261 6793 1 10 . 1 1 19 19 PHE CB C 19 39.450 39.450 39.342 0.108 18261 6794 1 10 . 1 1 19 19 PHE H H 19 9.623 9.623 8.638 0.985 18261 6795 1 10 . 1 1 20 20 MET N N 20 118.264 118.264 117.445 0.819 18261 6796 1 10 . 1 1 20 20 MET HA H 20 4.424 4.424 4.244 0.180 18261 6797 1 10 . 1 1 20 20 MET C C 20 178.924 178.924 178.933 -0.009 18261 6798 1 10 . 1 1 20 20 MET CA C 20 57.480 57.480 57.304 0.176 18261 6799 1 10 . 1 1 20 20 MET CB C 20 31.929 31.929 31.194 0.735 18261 6800 1 10 . 1 1 20 20 MET H H 20 8.865 8.865 8.532 0.333 18261 6801 1 10 . 1 1 21 21 ASN N N 21 118.455 118.455 119.427 -0.972 18261 6802 1 10 . 1 1 21 21 ASN HA H 21 4.542 4.542 4.458 0.084 18261 6803 1 10 . 1 1 21 21 ASN C C 21 178.249 178.249 177.773 0.476 18261 6804 1 10 . 1 1 21 21 ASN CA C 21 56.305 56.305 57.096 -0.791 18261 6805 1 10 . 1 1 21 21 ASN CB C 21 37.916 37.916 38.583 -0.667 18261 6806 1 10 . 1 1 21 21 ASN H H 21 8.453 8.453 8.712 -0.259 18261 6807 1 10 . 1 1 22 22 SER N N 22 116.036 116.036 116.371 -0.335 18261 6808 1 10 . 1 1 22 22 SER HA H 22 4.196 4.196 4.197 -0.001 18261 6809 1 10 . 1 1 22 22 SER C C 22 178.143 178.143 176.359 1.784 18261 6810 1 10 . 1 1 22 22 SER CA C 22 62.256 62.256 61.814 0.442 18261 6811 1 10 . 1 1 22 22 SER CB C 22 62.870 62.870 63.079 -0.209 18261 6812 1 10 . 1 1 22 22 SER H H 22 7.959 7.959 8.096 -0.137 18261 6813 1 10 . 1 1 23 23 PHE N N 23 124.987 124.987 124.751 0.236 18261 6814 1 10 . 1 1 23 23 PHE HA H 23 4.005 4.005 4.067 -0.062 18261 6815 1 10 . 1 1 23 23 PHE C C 23 175.652 175.652 176.726 -1.074 18261 6816 1 10 . 1 1 23 23 PHE CA C 23 60.525 60.525 61.227 -0.702 18261 6817 1 10 . 1 1 23 23 PHE CB C 23 38.899 38.899 38.992 -0.093 18261 6818 1 10 . 1 1 23 23 PHE H H 23 9.045 9.045 8.372 0.673 18261 6819 1 10 . 1 1 24 24 MET N N 24 117.260 117.260 117.075 0.185 18261 6820 1 10 . 1 1 24 24 MET HA H 24 4.040 4.040 3.786 0.254 18261 6821 1 10 . 1 1 24 24 MET C C 24 179.797 179.797 178.625 1.172 18261 6822 1 10 . 1 1 24 24 MET CA C 24 56.047 56.047 58.180 -2.133 18261 6823 1 10 . 1 1 24 24 MET CB C 24 30.308 30.308 31.540 -1.232 18261 6824 1 10 . 1 1 24 24 MET H H 24 8.302 8.302 8.350 -0.048 18261 6825 1 10 . 1 1 25 25 GLN N N 25 120.167 120.167 118.447 1.720 18261 6826 1 10 . 1 1 25 25 GLN HA H 25 3.985 3.985 4.164 -0.179 18261 6827 1 10 . 1 1 25 25 GLN C C 25 179.870 179.870 178.841 1.029 18261 6828 1 10 . 1 1 25 25 GLN CA C 25 59.136 59.136 58.751 0.385 18261 6829 1 10 . 1 1 25 25 GLN CB C 25 28.234 28.234 28.252 -0.018 18261 6830 1 10 . 1 1 25 25 GLN H H 25 8.038 8.038 8.279 -0.241 18261 6831 1 10 . 1 1 26 26 GLY N N 26 107.636 107.636 107.925 -0.289 18261 6832 1 10 . 1 1 26 26 GLY C C 26 176.387 176.387 176.729 -0.342 18261 6833 1 10 . 1 1 26 26 GLY CA C 26 46.911 46.911 46.231 0.680 18261 6834 1 10 . 1 1 26 26 GLY H H 26 8.095 8.095 8.198 -0.103 18261 6835 1 10 . 1 1 27 27 LEU N N 27 122.877 122.877 124.040 -1.163 18261 6836 1 10 . 1 1 27 27 LEU HA H 27 3.783 3.783 3.951 -0.168 18261 6837 1 10 . 1 1 27 27 LEU C C 27 178.564 178.564 178.863 -0.299 18261 6838 1 10 . 1 1 27 27 LEU CA C 27 57.262 57.262 57.146 0.116 18261 6839 1 10 . 1 1 27 27 LEU CB C 27 42.076 42.076 40.964 1.112 18261 6840 1 10 . 1 1 27 27 LEU H H 27 8.369 8.369 8.232 0.137 18261 6841 1 10 . 1 1 28 28 SER N N 28 109.474 109.474 114.336 -4.862 18261 6842 1 10 . 1 1 28 28 SER HA H 28 4.138 4.138 4.320 -0.182 18261 6843 1 10 . 1 1 28 28 SER C C 28 174.421 174.421 175.293 -0.872 18261 6844 1 10 . 1 1 28 28 SER CA C 28 61.153 61.153 60.558 0.595 18261 6845 1 10 . 1 1 28 28 SER CB C 28 63.320 63.320 62.758 0.562 18261 6846 1 10 . 1 1 28 28 SER H H 28 7.527 7.527 8.429 -0.902 18261 6847 1 10 . 1 1 29 29 SER N N 29 114.550 114.550 115.747 -1.197 18261 6848 1 10 . 1 1 29 29 SER HA H 29 4.734 4.734 4.578 0.156 18261 6849 1 10 . 1 1 29 29 SER C C 29 173.970 173.970 173.513 0.457 18261 6850 1 10 . 1 1 29 29 SER CA C 29 57.927 57.927 58.579 -0.652 18261 6851 1 10 . 1 1 29 29 SER CB C 29 64.500 64.500 63.965 0.535 18261 6852 1 10 . 1 1 29 29 SER H H 29 7.449 7.449 7.833 -0.384 18261 6853 1 10 . 1 1 30 30 MET N N 30 122.420 122.420 122.066 0.354 18261 6854 1 10 . 1 1 30 30 MET HA H 30 4.952 4.952 4.915 0.037 18261 6855 1 10 . 1 1 30 30 MET C C 30 174.195 174.195 174.016 0.179 18261 6856 1 10 . 1 1 30 30 MET CA C 30 53.638 53.638 51.135 2.503 18261 6857 1 10 . 1 1 30 30 MET CB C 30 32.305 32.305 31.912 0.393 18261 6858 1 10 . 1 1 30 30 MET H H 30 7.674 7.674 7.600 0.074 18261 6859 1 10 . 1 1 31 31 PRO HA H 31 4.669 4.669 4.543 0.126 18261 6860 1 10 . 1 1 31 31 PRO CA C 31 62.880 62.880 63.327 -0.447 18261 6861 1 10 . 1 1 31 31 PRO CB C 31 32.742 32.742 32.726 0.016 18261 6862 1 10 . 1 1 32 32 GLY N N 32 106.222 106.222 108.242 -2.020 18261 6863 1 10 . 1 1 32 32 GLY C C 32 172.454 172.454 173.265 -0.811 18261 6864 1 10 . 1 1 32 32 GLY CA C 32 45.608 45.608 44.687 0.921 18261 6865 1 10 . 1 1 32 32 GLY H H 32 8.415 8.415 8.510 -0.095 18261 6866 1 10 . 1 1 33 33 PHE N N 33 116.404 116.404 118.004 -1.600 18261 6867 1 10 . 1 1 33 33 PHE HA H 33 5.167 5.167 4.798 0.368 18261 6868 1 10 . 1 1 33 33 PHE C C 33 176.387 176.387 174.565 1.822 18261 6869 1 10 . 1 1 33 33 PHE CA C 33 56.750 56.750 57.529 -0.779 18261 6870 1 10 . 1 1 33 33 PHE CB C 33 42.080 42.080 41.064 1.016 18261 6871 1 10 . 1 1 33 33 PHE H H 33 7.871 7.871 7.402 0.469 18261 6872 1 10 . 1 1 34 34 THR N N 34 113.684 113.684 112.848 0.836 18261 6873 1 10 . 1 1 34 34 THR HA H 34 4.545 4.545 4.525 0.020 18261 6874 1 10 . 1 1 34 34 THR C C 34 175.066 175.066 174.295 0.771 18261 6875 1 10 . 1 1 34 34 THR CA C 34 60.339 60.339 60.553 -0.214 18261 6876 1 10 . 1 1 34 34 THR CB C 34 70.381 70.381 70.519 -0.138 18261 6877 1 10 . 1 1 34 34 THR H H 34 8.899 8.899 8.090 0.809 18261 6878 1 10 . 1 1 35 35 ALA N N 35 122.927 122.927 124.372 -1.445 18261 6879 1 10 . 1 1 35 35 ALA HA H 35 4.092 4.092 4.151 -0.059 18261 6880 1 10 . 1 1 35 35 ALA C C 35 180.755 180.755 179.456 1.299 18261 6881 1 10 . 1 1 35 35 ALA CA C 35 55.827 55.827 55.503 0.324 18261 6882 1 10 . 1 1 35 35 ALA CB C 35 18.098 18.098 18.838 -0.740 18261 6883 1 10 . 1 1 35 35 ALA H H 35 8.864 8.864 8.715 0.149 18261 6884 1 10 . 1 1 36 36 SER N N 36 112.708 112.708 114.216 -1.508 18261 6885 1 10 . 1 1 36 36 SER HA H 36 4.276 4.276 4.019 0.257 18261 6886 1 10 . 1 1 36 36 SER C C 36 177.033 177.033 176.744 0.289 18261 6887 1 10 . 1 1 36 36 SER CA C 36 61.403 61.403 61.618 -0.215 18261 6888 1 10 . 1 1 36 36 SER CB C 36 62.371 62.371 62.836 -0.465 18261 6889 1 10 . 1 1 36 36 SER H H 36 8.389 8.389 8.051 0.338 18261 6890 1 10 . 1 1 37 37 GLN N N 37 121.595 121.595 121.160 0.435 18261 6891 1 10 . 1 1 37 37 GLN HA H 37 4.272 4.272 4.172 0.100 18261 6892 1 10 . 1 1 37 37 GLN C C 37 179.149 179.149 178.423 0.726 18261 6893 1 10 . 1 1 37 37 GLN CA C 37 58.638 58.638 58.861 -0.223 18261 6894 1 10 . 1 1 37 37 GLN CB C 37 29.123 29.123 28.416 0.707 18261 6895 1 10 . 1 1 37 37 GLN H H 37 7.621 7.621 7.641 -0.020 18261 6896 1 10 . 1 1 38 38 LEU N N 38 119.852 119.852 120.534 -0.682 18261 6897 1 10 . 1 1 38 38 LEU HA H 38 3.838 3.838 3.923 -0.085 18261 6898 1 10 . 1 1 38 38 LEU C C 38 179.675 179.675 178.767 0.908 18261 6899 1 10 . 1 1 38 38 LEU CA C 38 57.929 57.929 58.657 -0.728 18261 6900 1 10 . 1 1 38 38 LEU CB C 38 40.918 40.918 41.564 -0.646 18261 6901 1 10 . 1 1 38 38 LEU H H 38 8.341 8.341 8.261 0.080 18261 6902 1 10 . 1 1 39 39 ASP N N 39 122.065 122.065 121.007 1.058 18261 6903 1 10 . 1 1 39 39 ASP HA H 39 4.439 4.439 4.275 0.164 18261 6904 1 10 . 1 1 39 39 ASP C C 39 179.224 179.224 178.309 0.915 18261 6905 1 10 . 1 1 39 39 ASP CA C 39 57.710 57.710 58.404 -0.695 18261 6906 1 10 . 1 1 39 39 ASP CB C 39 40.245 40.245 40.860 -0.615 18261 6907 1 10 . 1 1 39 39 ASP H H 39 7.955 7.955 8.130 -0.175 18261 6908 1 10 . 1 1 40 40 ASP N N 40 121.957 121.957 120.236 1.721 18261 6909 1 10 . 1 1 40 40 ASP HA H 40 4.483 4.483 4.393 0.090 18261 6910 1 10 . 1 1 40 40 ASP C C 40 179.600 179.600 178.585 1.015 18261 6911 1 10 . 1 1 40 40 ASP CA C 40 57.745 57.745 57.765 -0.020 18261 6912 1 10 . 1 1 40 40 ASP CB C 40 40.190 40.190 40.866 -0.676 18261 6913 1 10 . 1 1 40 40 ASP H H 40 8.022 8.022 7.666 0.356 18261 6914 1 10 . 1 1 41 41 MET N N 41 121.160 121.160 119.323 1.837 18261 6915 1 10 . 1 1 41 41 MET HA H 41 4.204 4.204 4.122 0.082 18261 6916 1 10 . 1 1 41 41 MET C C 41 177.693 177.693 178.081 -0.388 18261 6917 1 10 . 1 1 41 41 MET CA C 41 57.634 57.634 58.925 -1.291 18261 6918 1 10 . 1 1 41 41 MET CB C 41 31.422 31.422 32.789 -1.367 18261 6919 1 10 . 1 1 41 41 MET H H 41 8.668 8.668 7.900 0.768 18261 6920 1 10 . 1 1 42 42 SER N N 42 116.421 116.421 115.185 1.236 18261 6921 1 10 . 1 1 42 42 SER HA H 42 4.304 4.304 4.180 0.124 18261 6922 1 10 . 1 1 42 42 SER C C 42 177.483 177.483 176.667 0.816 18261 6923 1 10 . 1 1 42 42 SER CA C 42 62.075 62.075 62.092 -0.017 18261 6924 1 10 . 1 1 42 42 SER CB C 42 62.765 62.765 63.231 -0.466 18261 6925 1 10 . 1 1 42 42 SER H H 42 8.375 8.375 8.541 -0.166 18261 6926 1 10 . 1 1 43 43 THR N N 43 118.797 118.797 119.360 -0.563 18261 6927 1 10 . 1 1 43 43 THR HA H 43 4.042 4.042 3.981 0.061 18261 6928 1 10 . 1 1 43 43 THR C C 43 177.258 177.258 176.827 0.431 18261 6929 1 10 . 1 1 43 43 THR CA C 43 66.584 66.584 66.866 -0.282 18261 6930 1 10 . 1 1 43 43 THR CB C 43 68.490 68.490 68.783 -0.293 18261 6931 1 10 . 1 1 43 43 THR H H 43 7.928 7.928 7.820 0.108 18261 6932 1 10 . 1 1 44 44 ILE N N 44 122.960 122.960 121.320 1.640 18261 6933 1 10 . 1 1 44 44 ILE HA H 44 3.930 3.930 3.901 0.029 18261 6934 1 10 . 1 1 44 44 ILE C C 44 178.564 178.564 178.120 0.444 18261 6935 1 10 . 1 1 44 44 ILE CA C 44 64.483 64.483 62.211 2.272 18261 6936 1 10 . 1 1 44 44 ILE CB C 44 38.015 38.015 36.387 1.628 18261 6937 1 10 . 1 1 44 44 ILE H H 44 7.863 7.863 8.234 -0.371 18261 6938 1 10 . 1 1 45 45 ALA N N 45 124.792 124.792 122.650 2.142 18261 6939 1 10 . 1 1 45 45 ALA HA H 45 4.122 4.122 4.044 0.078 18261 6940 1 10 . 1 1 45 45 ALA C C 45 179.404 179.404 179.825 -0.421 18261 6941 1 10 . 1 1 45 45 ALA CA C 45 56.009 56.009 55.212 0.797 18261 6942 1 10 . 1 1 45 45 ALA CB C 45 18.908 18.908 18.449 0.459 18261 6943 1 10 . 1 1 45 45 ALA H H 45 8.853 8.853 8.344 0.509 18261 6944 1 10 . 1 1 46 46 GLN N N 46 116.307 116.307 117.633 -1.326 18261 6945 1 10 . 1 1 46 46 GLN HA H 46 4.068 4.068 4.079 -0.011 18261 6946 1 10 . 1 1 46 46 GLN C C 46 179.014 179.014 178.611 0.403 18261 6947 1 10 . 1 1 46 46 GLN CA C 46 58.903 58.903 58.302 0.601 18261 6948 1 10 . 1 1 46 46 GLN CB C 46 28.250 28.250 27.892 0.358 18261 6949 1 10 . 1 1 46 46 GLN H H 46 8.238 8.238 8.182 0.056 18261 6950 1 10 . 1 1 47 47 SER N N 47 115.959 115.959 116.250 -0.291 18261 6951 1 10 . 1 1 47 47 SER HA H 47 4.261 4.261 4.071 0.190 18261 6952 1 10 . 1 1 47 47 SER C C 47 177.483 177.483 176.338 1.145 18261 6953 1 10 . 1 1 47 47 SER CA C 47 61.526 61.526 61.736 -0.210 18261 6954 1 10 . 1 1 47 47 SER CB C 47 62.842 62.842 62.732 0.110 18261 6955 1 10 . 1 1 47 47 SER H H 47 8.223 8.223 7.415 0.808 18261 6956 1 10 . 1 1 48 48 MET N N 48 121.963 121.963 122.449 -0.486 18261 6957 1 10 . 1 1 48 48 MET HA H 48 4.110 4.110 3.998 0.112 18261 6958 1 10 . 1 1 48 48 MET C C 48 177.798 177.798 177.418 0.380 18261 6959 1 10 . 1 1 48 48 MET CA C 48 57.531 57.531 58.020 -0.489 18261 6960 1 10 . 1 1 48 48 MET CB C 48 31.169 31.169 32.006 -0.837 18261 6961 1 10 . 1 1 48 48 MET H H 48 8.245 8.245 7.628 0.617 18261 6962 1 10 . 1 1 49 49 VAL N N 49 119.045 119.045 119.586 -0.541 18261 6963 1 10 . 1 1 49 49 VAL HA H 49 3.300 3.300 3.472 -0.172 18261 6964 1 10 . 1 1 49 49 VAL C C 49 177.910 177.910 178.255 -0.345 18261 6965 1 10 . 1 1 49 49 VAL CA C 49 67.811 67.811 66.624 1.187 18261 6966 1 10 . 1 1 49 49 VAL CB C 49 31.370 31.370 31.246 0.124 18261 6967 1 10 . 1 1 49 49 VAL H H 49 7.809 7.809 8.040 -0.231 18261 6968 1 10 . 1 1 50 50 GLN N N 50 118.357 118.357 117.839 0.518 18261 6969 1 10 . 1 1 50 50 GLN HA H 50 4.091 4.091 4.061 0.030 18261 6970 1 10 . 1 1 50 50 GLN C C 50 179.449 179.449 178.758 0.691 18261 6971 1 10 . 1 1 50 50 GLN CA C 50 59.056 59.056 58.570 0.486 18261 6972 1 10 . 1 1 50 50 GLN CB C 50 28.020 28.020 27.837 0.183 18261 6973 1 10 . 1 1 50 50 GLN H H 50 8.225 8.225 8.527 -0.302 18261 6974 1 10 . 1 1 51 51 SER N N 51 117.253 117.253 115.862 1.391 18261 6975 1 10 . 1 1 51 51 SER HA H 51 4.235 4.235 4.254 -0.019 18261 6976 1 10 . 1 1 51 51 SER C C 51 176.374 176.374 176.386 -0.012 18261 6977 1 10 . 1 1 51 51 SER CA C 51 62.752 62.752 61.785 0.967 18261 6978 1 10 . 1 1 51 51 SER CB C 51 62.963 62.963 62.890 0.073 18261 6979 1 10 . 1 1 51 51 SER H H 51 8.328 8.328 7.423 0.905 18261 6980 1 10 . 1 1 52 52 ILE N N 52 123.114 123.114 122.869 0.245 18261 6981 1 10 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.596 0.003 18261 6982 1 10 . 1 1 52 52 ILE C C 52 178.684 178.684 177.282 1.402 18261 6983 1 10 . 1 1 52 52 ILE CA C 52 64.736 64.736 65.309 -0.573 18261 6984 1 10 . 1 1 52 52 ILE CB C 52 37.838 37.838 37.424 0.414 18261 6985 1 10 . 1 1 52 52 ILE H H 52 8.147 8.147 7.791 0.356 18261 6986 1 10 . 1 1 53 53 GLN N N 53 120.011 120.011 119.027 0.984 18261 6987 1 10 . 1 1 53 53 GLN HA H 53 3.946 3.946 3.989 -0.043 18261 6988 1 10 . 1 1 53 53 GLN C C 53 179.014 179.014 178.965 0.049 18261 6989 1 10 . 1 1 53 53 GLN CA C 53 59.501 59.501 58.691 0.810 18261 6990 1 10 . 1 1 53 53 GLN CB C 53 27.901 27.901 27.811 0.090 18261 6991 1 10 . 1 1 53 53 GLN H H 53 8.583 8.583 8.456 0.127 18261 6992 1 10 . 1 1 54 54 SER N N 54 115.479 115.479 116.281 -0.802 18261 6993 1 10 . 1 1 54 54 SER HA H 54 4.302 4.302 4.242 0.060 18261 6994 1 10 . 1 1 54 54 SER C C 54 176.822 176.822 176.616 0.206 18261 6995 1 10 . 1 1 54 54 SER CA C 54 61.492 61.492 61.274 0.218 18261 6996 1 10 . 1 1 54 54 SER CB C 54 62.880 62.880 62.641 0.239 18261 6997 1 10 . 1 1 54 54 SER H H 54 8.271 8.271 7.558 0.713 18261 6998 1 10 . 1 1 55 55 LEU N N 55 121.519 121.519 122.068 -0.549 18261 6999 1 10 . 1 1 55 55 LEU HA H 55 4.068 4.068 3.971 0.097 18261 7000 1 10 . 1 1 55 55 LEU C C 55 179.434 179.434 178.759 0.675 18261 7001 1 10 . 1 1 55 55 LEU CA C 55 57.793 57.793 58.213 -0.420 18261 7002 1 10 . 1 1 55 55 LEU CB C 55 42.245 42.245 41.511 0.734 18261 7003 1 10 . 1 1 55 55 LEU H H 55 7.974 7.974 8.164 -0.190 18261 7004 1 10 . 1 1 56 56 ALA N N 56 121.040 121.040 118.661 2.379 18261 7005 1 10 . 1 1 56 56 ALA HA H 56 4.228 4.228 4.247 -0.019 18261 7006 1 10 . 1 1 56 56 ALA C C 56 180.530 180.530 178.082 2.448 18261 7007 1 10 . 1 1 56 56 ALA CA C 56 54.331 54.331 53.850 0.481 18261 7008 1 10 . 1 1 56 56 ALA CB C 56 18.075 18.075 18.771 -0.696 18261 7009 1 10 . 1 1 56 56 ALA H H 56 8.032 8.032 8.227 -0.195 18261 7010 1 10 . 1 1 57 57 ALA N N 57 121.325 121.325 120.126 1.199 18261 7011 1 10 . 1 1 57 57 ALA HA H 57 4.219 4.219 4.320 -0.101 18261 7012 1 10 . 1 1 57 57 ALA C C 57 179.344 179.344 179.191 0.153 18261 7013 1 10 . 1 1 57 57 ALA CA C 57 54.446 54.446 53.792 0.654 18261 7014 1 10 . 1 1 57 57 ALA CB C 57 18.470 18.470 19.466 -0.996 18261 7015 1 10 . 1 1 57 57 ALA H H 57 8.030 8.030 7.497 0.533 18261 7016 1 10 . 1 1 58 58 GLN N N 58 114.257 114.257 116.565 -2.308 18261 7017 1 10 . 1 1 58 58 GLN HA H 58 4.356 4.356 4.311 0.045 18261 7018 1 10 . 1 1 58 58 GLN C C 58 176.612 176.612 176.592 0.020 18261 7019 1 10 . 1 1 58 58 GLN CA C 58 55.957 55.957 56.006 -0.049 18261 7020 1 10 . 1 1 58 58 GLN CB C 58 29.767 29.767 29.505 0.262 18261 7021 1 10 . 1 1 58 58 GLN H H 58 7.751 7.751 8.386 -0.635 18261 7022 1 10 . 1 1 59 59 GLY N N 59 108.304 108.304 107.192 1.112 18261 7023 1 10 . 1 1 59 59 GLY C C 59 174.856 174.856 174.575 0.281 18261 7024 1 10 . 1 1 59 59 GLY CA C 59 46.197 46.197 45.742 0.455 18261 7025 1 10 . 1 1 59 59 GLY H H 59 7.910 7.910 7.922 -0.012 18261 7026 1 10 . 1 1 60 60 ARG N N 60 118.258 118.258 119.060 -0.802 18261 7027 1 10 . 1 1 60 60 ARG HA H 60 4.553 4.553 4.706 -0.153 18261 7028 1 10 . 1 1 60 60 ARG C C 60 175.847 175.847 176.596 -0.749 18261 7029 1 10 . 1 1 60 60 ARG CA C 60 55.658 55.658 54.166 1.492 18261 7030 1 10 . 1 1 60 60 ARG CB C 60 31.714 31.714 30.555 1.159 18261 7031 1 10 . 1 1 60 60 ARG H H 60 8.108 8.108 8.098 0.010 18261 7032 1 10 . 1 1 61 61 THR N N 61 115.924 115.924 117.611 -1.687 18261 7033 1 10 . 1 1 61 61 THR HA H 61 4.785 4.785 4.083 0.702 18261 7034 1 10 . 1 1 61 61 THR C C 61 173.654 173.654 174.489 -0.835 18261 7035 1 10 . 1 1 61 61 THR CA C 61 63.140 63.140 65.444 -2.304 18261 7036 1 10 . 1 1 61 61 THR CB C 61 68.602 68.602 68.647 -0.045 18261 7037 1 10 . 1 1 61 61 THR H H 61 7.970 7.970 8.413 -0.443 18261 7038 1 10 . 1 1 62 62 SER N N 62 119.666 119.666 115.512 4.154 18261 7039 1 10 . 1 1 62 62 SER HA H 62 4.902 4.902 4.231 0.671 18261 7040 1 10 . 1 1 62 62 SER C C 62 173.207 173.207 173.835 -0.628 18261 7041 1 10 . 1 1 62 62 SER CA C 62 56.193 56.193 59.206 -3.013 18261 7042 1 10 . 1 1 62 62 SER CB C 62 63.781 63.781 61.825 1.956 18261 7043 1 10 . 1 1 62 62 SER H H 62 7.788 7.788 7.998 -0.210 18261 7044 1 10 . 1 1 63 63 PRO HA H 63 4.313 4.313 4.425 -0.112 18261 7045 1 10 . 1 1 63 63 PRO CA C 63 65.746 65.746 64.809 0.937 18261 7046 1 10 . 1 1 63 63 PRO CB C 63 32.147 32.147 31.932 0.215 18261 7047 1 10 . 1 1 64 64 ASN HA H 64 4.550 4.550 4.553 -0.003 18261 7048 1 10 . 1 1 64 64 ASN CA C 64 56.202 56.202 56.363 -0.161 18261 7049 1 10 . 1 1 64 64 ASN CB C 64 38.000 38.000 38.384 -0.384 18261 7050 1 10 . 1 1 65 65 LYS N N 65 120.530 120.530 120.791 -0.261 18261 7051 1 10 . 1 1 65 65 LYS HA H 65 4.197 4.197 4.103 0.094 18261 7052 1 10 . 1 1 65 65 LYS C C 65 178.999 178.999 178.979 0.020 18261 7053 1 10 . 1 1 65 65 LYS CA C 65 58.250 58.250 58.974 -0.724 18261 7054 1 10 . 1 1 65 65 LYS CB C 65 32.498 32.498 32.132 0.366 18261 7055 1 10 . 1 1 65 65 LYS H H 65 7.770 7.770 7.462 0.308 18261 7056 1 10 . 1 1 66 66 LEU N N 66 118.804 118.804 119.436 -0.632 18261 7057 1 10 . 1 1 66 66 LEU HA H 66 4.070 4.070 4.212 -0.142 18261 7058 1 10 . 1 1 66 66 LEU C C 66 178.928 178.928 178.997 -0.069 18261 7059 1 10 . 1 1 66 66 LEU CA C 66 57.928 57.928 58.193 -0.265 18261 7060 1 10 . 1 1 66 66 LEU CB C 66 41.329 41.329 41.375 -0.046 18261 7061 1 10 . 1 1 66 66 LEU H H 66 7.932 7.932 7.797 0.135 18261 7062 1 10 . 1 1 67 67 GLN N N 67 119.307 119.307 119.386 -0.079 18261 7063 1 10 . 1 1 67 67 GLN HA H 67 4.224 4.224 4.198 0.026 18261 7064 1 10 . 1 1 67 67 GLN C C 67 178.789 178.789 178.289 0.500 18261 7065 1 10 . 1 1 67 67 GLN CA C 67 58.862 58.862 58.529 0.333 18261 7066 1 10 . 1 1 67 67 GLN CB C 67 28.052 28.052 27.608 0.444 18261 7067 1 10 . 1 1 67 67 GLN H H 67 8.160 8.160 8.593 -0.433 18261 7068 1 10 . 1 1 68 68 ALA N N 68 122.124 122.124 122.397 -0.273 18261 7069 1 10 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.192 -0.002 18261 7070 1 10 . 1 1 68 68 ALA C C 68 180.320 180.320 179.470 0.850 18261 7071 1 10 . 1 1 68 68 ALA CA C 68 55.282 55.282 54.547 0.735 18261 7072 1 10 . 1 1 68 68 ALA CB C 68 18.251 18.251 18.668 -0.417 18261 7073 1 10 . 1 1 68 68 ALA H H 68 7.844 7.844 7.502 0.342 18261 7074 1 10 . 1 1 69 69 LEU N N 69 119.481 119.481 119.203 0.278 18261 7075 1 10 . 1 1 69 69 LEU HA H 69 3.912 3.912 3.755 0.157 18261 7076 1 10 . 1 1 69 69 LEU C C 69 178.864 178.864 178.873 -0.009 18261 7077 1 10 . 1 1 69 69 LEU CA C 69 57.904 57.904 57.789 0.115 18261 7078 1 10 . 1 1 69 69 LEU CB C 69 41.052 41.052 41.103 -0.051 18261 7079 1 10 . 1 1 69 69 LEU H H 69 7.819 7.819 8.660 -0.841 18261 7080 1 10 . 1 1 70 70 ASN N N 70 119.633 119.633 117.102 2.531 18261 7081 1 10 . 1 1 70 70 ASN HA H 70 4.553 4.553 4.571 -0.018 18261 7082 1 10 . 1 1 70 70 ASN C C 70 177.483 177.483 177.328 0.155 18261 7083 1 10 . 1 1 70 70 ASN CA C 70 57.125 57.125 56.728 0.397 18261 7084 1 10 . 1 1 70 70 ASN CB C 70 38.392 38.392 38.807 -0.415 18261 7085 1 10 . 1 1 70 70 ASN H H 70 8.265 8.265 8.344 -0.079 18261 7086 1 10 . 1 1 71 71 MET N N 71 118.024 118.024 119.004 -0.980 18261 7087 1 10 . 1 1 71 71 MET HA H 71 4.201 4.201 4.364 -0.163 18261 7088 1 10 . 1 1 71 71 MET C C 71 178.279 178.279 178.368 -0.089 18261 7089 1 10 . 1 1 71 71 MET CA C 71 59.445 59.445 59.302 0.143 18261 7090 1 10 . 1 1 71 71 MET CB C 71 32.313 32.313 32.895 -0.582 18261 7091 1 10 . 1 1 71 71 MET H H 71 8.098 8.098 7.607 0.491 18261 7092 1 10 . 1 1 72 72 ARG N N 72 121.985 121.985 119.879 2.106 18261 7093 1 10 . 1 1 72 72 ARG HA H 72 3.981 3.981 4.199 -0.218 18261 7094 1 10 . 1 1 72 72 ARG C C 72 179.059 179.059 179.081 -0.022 18261 7095 1 10 . 1 1 72 72 ARG CA C 72 59.058 59.058 57.569 1.489 18261 7096 1 10 . 1 1 72 72 ARG CB C 72 30.120 30.120 29.232 0.888 18261 7097 1 10 . 1 1 72 72 ARG H H 72 8.292 8.292 8.153 0.139 18261 7098 1 10 . 1 1 73 73 PHE N N 73 122.085 122.085 122.066 0.019 18261 7099 1 10 . 1 1 73 73 PHE HA H 73 4.529 4.529 4.286 0.243 18261 7100 1 10 . 1 1 73 73 PHE C C 73 177.258 177.258 176.916 0.342 18261 7101 1 10 . 1 1 73 73 PHE CA C 73 59.248 59.248 60.691 -1.443 18261 7102 1 10 . 1 1 73 73 PHE CB C 73 39.527 39.527 38.795 0.732 18261 7103 1 10 . 1 1 73 73 PHE H H 73 8.703 8.703 8.783 -0.080 18261 7104 1 10 . 1 1 74 74 ALA N N 74 119.273 119.273 120.841 -1.568 18261 7105 1 10 . 1 1 74 74 ALA HA H 74 3.764 3.764 3.794 -0.030 18261 7106 1 10 . 1 1 74 74 ALA C C 74 179.374 179.374 179.363 0.011 18261 7107 1 10 . 1 1 74 74 ALA CA C 74 55.324 55.324 55.062 0.262 18261 7108 1 10 . 1 1 74 74 ALA CB C 74 20.509 20.509 18.529 1.980 18261 7109 1 10 . 1 1 74 74 ALA H H 74 8.598 8.598 7.701 0.897 18261 7110 1 10 . 1 1 75 75 SER N N 75 113.611 113.611 113.784 -0.173 18261 7111 1 10 . 1 1 75 75 SER HA H 75 3.636 3.636 4.171 -0.535 18261 7112 1 10 . 1 1 75 75 SER CA C 75 61.936 61.936 61.353 0.583 18261 7113 1 10 . 1 1 75 75 SER CB C 75 61.869 61.869 62.562 -0.693 18261 7114 1 10 . 1 1 75 75 SER H H 75 8.780 8.780 7.978 0.802 18261 7115 1 10 . 1 1 76 76 SER N N 76 119.013 119.013 119.029 -0.016 18261 7116 1 10 . 1 1 76 76 SER HA H 76 4.310 4.310 4.160 0.150 18261 7117 1 10 . 1 1 76 76 SER CA C 76 62.536 62.536 61.522 1.014 18261 7118 1 10 . 1 1 76 76 SER CB C 76 62.943 62.943 62.800 0.143 18261 7119 1 10 . 1 1 76 76 SER H H 76 8.210 8.210 8.212 -0.002 18261 7120 1 10 . 1 1 77 77 MET N N 77 120.105 120.105 121.606 -1.501 18261 7121 1 10 . 1 1 77 77 MET HA H 77 4.027 4.027 4.142 -0.115 18261 7122 1 10 . 1 1 77 77 MET C C 77 178.354 178.354 178.069 0.285 18261 7123 1 10 . 1 1 77 77 MET CA C 77 59.954 59.954 58.958 0.996 18261 7124 1 10 . 1 1 77 77 MET CB C 77 34.616 34.616 32.225 2.391 18261 7125 1 10 . 1 1 77 77 MET H H 77 8.005 8.005 7.540 0.465 18261 7126 1 10 . 1 1 78 78 ALA N N 78 121.530 121.530 122.739 -1.209 18261 7127 1 10 . 1 1 78 78 ALA HA H 78 3.933 3.933 4.067 -0.135 18261 7128 1 10 . 1 1 78 78 ALA C C 78 178.354 178.354 179.785 -1.431 18261 7129 1 10 . 1 1 78 78 ALA CA C 78 55.427 55.427 55.509 -0.082 18261 7130 1 10 . 1 1 78 78 ALA CB C 78 20.344 20.344 17.874 2.470 18261 7131 1 10 . 1 1 78 78 ALA H H 78 8.550 8.550 8.087 0.463 18261 7132 1 10 . 1 1 79 79 GLU N N 79 117.137 117.137 118.487 -1.350 18261 7133 1 10 . 1 1 79 79 GLU HA H 79 3.919 3.919 4.038 -0.119 18261 7134 1 10 . 1 1 79 79 GLU C C 79 178.894 178.894 179.194 -0.300 18261 7135 1 10 . 1 1 79 79 GLU CA C 79 59.445 59.445 59.422 0.023 18261 7136 1 10 . 1 1 79 79 GLU CB C 79 29.895 29.895 29.323 0.573 18261 7137 1 10 . 1 1 79 79 GLU H H 79 7.737 7.737 7.965 -0.228 18261 7138 1 10 . 1 1 80 80 ILE N N 80 118.063 118.063 119.486 -1.423 18261 7139 1 10 . 1 1 80 80 ILE HA H 80 3.932 3.932 3.764 0.168 18261 7140 1 10 . 1 1 80 80 ILE C C 80 179.014 179.014 177.672 1.342 18261 7141 1 10 . 1 1 80 80 ILE CA C 80 63.727 63.727 64.740 -1.013 18261 7142 1 10 . 1 1 80 80 ILE CB C 80 38.208 38.208 38.003 0.205 18261 7143 1 10 . 1 1 80 80 ILE H H 80 7.239 7.239 7.296 -0.057 18261 7144 1 10 . 1 1 81 81 ALA N N 81 121.494 121.494 120.804 0.690 18261 7145 1 10 . 1 1 81 81 ALA HA H 81 3.961 3.961 4.073 -0.112 18261 7146 1 10 . 1 1 81 81 ALA C C 81 177.258 177.258 179.062 -1.804 18261 7147 1 10 . 1 1 81 81 ALA CA C 81 54.668 54.668 54.395 0.273 18261 7148 1 10 . 1 1 81 81 ALA CB C 81 17.887 17.887 18.887 -1.000 18261 7149 1 10 . 1 1 81 81 ALA H H 81 8.495 8.495 8.269 0.226 18261 7150 1 10 . 1 1 82 82 ALA N N 82 116.416 116.416 118.520 -2.104 18261 7151 1 10 . 1 1 82 82 ALA HA H 82 4.316 4.316 4.157 0.159 18261 7152 1 10 . 1 1 82 82 ALA C C 82 177.693 177.693 177.993 -0.300 18261 7153 1 10 . 1 1 82 82 ALA CA C 82 52.630 52.630 53.698 -1.068 18261 7154 1 10 . 1 1 82 82 ALA CB C 82 19.224 19.224 19.020 0.204 18261 7155 1 10 . 1 1 82 82 ALA H H 82 8.034 8.034 7.777 0.257 18261 7156 1 10 . 1 1 83 83 SER N N 83 112.672 112.672 114.368 -1.696 18261 7157 1 10 . 1 1 83 83 SER HA H 83 4.299 4.299 4.544 -0.245 18261 7158 1 10 . 1 1 83 83 SER C C 83 174.856 174.856 173.632 1.224 18261 7159 1 10 . 1 1 83 83 SER CA C 83 59.329 59.329 57.058 2.271 18261 7160 1 10 . 1 1 83 83 SER CB C 83 63.943 63.943 61.719 2.224 18261 7161 1 10 . 1 1 83 83 SER H H 83 7.437 7.437 7.757 -0.320 18261 7162 1 10 . 1 1 84 84 GLU N N 84 122.890 122.890 122.641 0.249 18261 7163 1 10 . 1 1 84 84 GLU HA H 84 4.420 4.420 4.420 0.000 18261 7164 1 10 . 1 1 84 84 GLU C C 84 176.597 176.597 175.564 1.033 18261 7165 1 10 . 1 1 84 84 GLU CA C 84 56.586 56.586 55.971 0.614 18261 7166 1 10 . 1 1 84 84 GLU CB C 84 30.648 30.648 30.468 0.180 18261 7167 1 10 . 1 1 84 84 GLU H H 84 8.245 8.245 7.767 0.478 18261 7168 1 10 . 1 1 85 85 GLU N N 85 122.062 122.062 124.474 -2.412 18261 7169 1 10 . 1 1 85 85 GLU HA H 85 4.285 4.285 4.336 -0.051 18261 7170 1 10 . 1 1 85 85 GLU C C 85 177.258 177.258 177.175 0.083 18261 7171 1 10 . 1 1 85 85 GLU CA C 85 57.128 57.128 55.932 1.196 18261 7172 1 10 . 1 1 85 85 GLU CB C 85 30.121 30.121 30.610 -0.489 18261 7173 1 10 . 1 1 85 85 GLU H H 85 8.477 8.477 8.688 -0.211 18261 7174 1 10 . 1 1 86 86 GLY N N 86 110.431 110.431 108.338 2.093 18261 7175 1 10 . 1 1 86 86 GLY C C 86 174.856 174.856 174.432 0.424 18261 7176 1 10 . 1 1 86 86 GLY CA C 86 45.654 45.654 45.358 0.297 18261 7177 1 10 . 1 1 86 86 GLY H H 86 8.563 8.563 8.304 0.259 18261 7178 1 10 . 1 1 87 87 GLY N N 87 108.508 108.508 110.198 -1.690 18261 7179 1 10 . 1 1 87 87 GLY C C 87 174.436 174.436 174.090 0.346 18261 7180 1 10 . 1 1 87 87 GLY CA C 87 45.396 45.396 44.660 0.736 18261 7181 1 10 . 1 1 87 87 GLY H H 87 8.274 8.274 7.937 0.337 18261 7182 1 10 . 1 1 88 88 GLY N N 88 107.821 107.821 111.194 -3.373 18261 7183 1 10 . 1 1 88 88 GLY C C 88 173.325 173.325 173.036 0.289 18261 7184 1 10 . 1 1 88 88 GLY CA C 88 44.814 44.814 44.383 0.431 18261 7185 1 10 . 1 1 88 88 GLY H H 88 8.105 8.105 8.279 -0.174 18261 7186 1 10 . 1 1 89 89 SER N N 89 115.747 115.747 118.788 -3.041 18261 7187 1 10 . 1 1 89 89 SER HA H 89 4.582 4.582 4.473 0.109 18261 7188 1 10 . 1 1 89 89 SER C C 89 175.066 175.066 173.281 1.785 18261 7189 1 10 . 1 1 89 89 SER CA C 89 57.256 57.256 58.223 -0.967 18261 7190 1 10 . 1 1 89 89 SER CB C 89 65.130 65.130 65.159 -0.030 18261 7191 1 10 . 1 1 89 89 SER H H 89 8.476 8.476 8.188 0.288 18261 7192 1 10 . 1 1 90 90 LEU N N 90 124.735 124.735 126.186 -1.451 18261 7193 1 10 . 1 1 90 90 LEU HA H 90 4.106 4.106 4.248 -0.142 18261 7194 1 10 . 1 1 90 90 LEU C C 90 179.434 179.434 177.867 1.567 18261 7195 1 10 . 1 1 90 90 LEU CA C 90 58.434 58.434 56.654 1.780 18261 7196 1 10 . 1 1 90 90 LEU CB C 90 41.377 41.377 42.381 -1.004 18261 7197 1 10 . 1 1 90 90 LEU H H 90 8.860 8.860 8.674 0.186 18261 7198 1 10 . 1 1 91 91 SER N N 91 113.851 113.851 115.237 -1.386 18261 7199 1 10 . 1 1 91 91 SER C C 91 177.325 177.325 176.630 0.695 18261 7200 1 10 . 1 1 91 91 SER CA C 91 61.261 61.261 62.050 -0.789 18261 7201 1 10 . 1 1 91 91 SER CB C 91 62.010 62.010 62.493 -0.483 18261 7202 1 10 . 1 1 91 91 SER H H 91 8.537 8.537 8.403 0.134 18261 7203 1 10 . 1 1 92 92 THR N N 92 120.889 120.889 117.530 3.359 18261 7204 1 10 . 1 1 92 92 THR HA H 92 3.993 3.993 4.164 -0.171 18261 7205 1 10 . 1 1 92 92 THR C C 92 176.162 176.162 176.461 -0.299 18261 7206 1 10 . 1 1 92 92 THR CA C 92 66.467 66.467 65.392 1.075 18261 7207 1 10 . 1 1 92 92 THR CB C 92 68.285 68.285 68.480 -0.195 18261 7208 1 10 . 1 1 92 92 THR H H 92 7.795 7.795 8.147 -0.352 18261 7209 1 10 . 1 1 93 93 LYS N N 93 120.210 120.210 122.391 -2.181 18261 7210 1 10 . 1 1 93 93 LYS HA H 93 3.798 3.798 3.867 -0.069 18261 7211 1 10 . 1 1 93 93 LYS CA C 93 61.044 61.044 60.083 0.961 18261 7212 1 10 . 1 1 93 93 LYS CB C 93 33.470 33.470 32.031 1.439 18261 7213 1 10 . 1 1 93 93 LYS H H 93 8.098 8.098 7.649 0.449 18261 7214 1 10 . 1 1 94 94 THR N N 94 111.485 111.485 112.488 -1.003 18261 7215 1 10 . 1 1 94 94 THR HA H 94 3.936 3.936 4.070 -0.134 18261 7216 1 10 . 1 1 94 94 THR C C 94 177.033 177.033 177.034 -0.001 18261 7217 1 10 . 1 1 94 94 THR CA C 94 66.974 66.974 66.112 0.862 18261 7218 1 10 . 1 1 94 94 THR CB C 94 68.013 68.013 68.462 -0.449 18261 7219 1 10 . 1 1 94 94 THR H H 94 8.891 8.891 7.857 1.034 18261 7220 1 10 . 1 1 95 95 SER N N 95 118.938 118.938 118.448 0.490 18261 7221 1 10 . 1 1 95 95 SER HA H 95 4.394 4.394 4.221 0.173 18261 7222 1 10 . 1 1 95 95 SER C C 95 177.828 177.828 176.988 0.840 18261 7223 1 10 . 1 1 95 95 SER CA C 95 61.990 61.990 61.430 0.560 18261 7224 1 10 . 1 1 95 95 SER CB C 95 62.580 62.580 62.985 -0.405 18261 7225 1 10 . 1 1 95 95 SER H H 95 8.118 8.118 7.827 0.291 18261 7226 1 10 . 1 1 96 96 SER N N 96 121.520 121.520 119.253 2.267 18261 7227 1 10 . 1 1 96 96 SER HA H 96 4.457 4.457 4.317 0.140 18261 7228 1 10 . 1 1 96 96 SER CA C 96 62.695 62.695 62.431 0.264 18261 7229 1 10 . 1 1 96 96 SER CB C 96 62.796 62.796 63.335 -0.539 18261 7230 1 10 . 1 1 96 96 SER H H 96 8.603 8.603 7.774 0.829 18261 7231 1 10 . 1 1 97 97 ILE N N 97 122.420 122.420 122.434 -0.014 18261 7232 1 10 . 1 1 97 97 ILE HA H 97 3.792 3.792 3.801 -0.009 18261 7233 1 10 . 1 1 97 97 ILE C C 97 177.693 177.693 177.841 -0.148 18261 7234 1 10 . 1 1 97 97 ILE CA C 97 66.722 66.722 65.659 1.063 18261 7235 1 10 . 1 1 97 97 ILE CB C 97 38.645 38.645 37.804 0.841 18261 7236 1 10 . 1 1 97 97 ILE H H 97 8.516 8.516 8.059 0.457 18261 7237 1 10 . 1 1 98 98 ALA N N 98 122.031 122.031 122.652 -0.621 18261 7238 1 10 . 1 1 98 98 ALA HA H 98 4.063 4.063 4.064 -0.001 18261 7239 1 10 . 1 1 98 98 ALA C C 98 180.740 180.740 179.642 1.098 18261 7240 1 10 . 1 1 98 98 ALA CA C 98 56.158 56.158 55.558 0.600 18261 7241 1 10 . 1 1 98 98 ALA CB C 98 18.347 18.347 18.348 -0.001 18261 7242 1 10 . 1 1 98 98 ALA H H 98 8.437 8.437 7.890 0.547 18261 7243 1 10 . 1 1 99 99 SER N N 99 115.676 115.676 114.600 1.076 18261 7244 1 10 . 1 1 99 99 SER HA H 99 4.369 4.369 4.188 0.181 18261 7245 1 10 . 1 1 99 99 SER C C 99 177.168 177.168 176.695 0.473 18261 7246 1 10 . 1 1 99 99 SER CA C 99 61.959 61.959 61.692 0.267 18261 7247 1 10 . 1 1 99 99 SER CB C 99 63.160 63.160 63.103 0.057 18261 7248 1 10 . 1 1 99 99 SER H H 99 8.611 8.611 8.125 0.486 18261 7249 1 10 . 1 1 100 100 ALA N N 100 124.275 124.275 125.668 -1.393 18261 7250 1 10 . 1 1 100 100 ALA HA H 100 4.243 4.243 3.993 0.250 18261 7251 1 10 . 1 1 100 100 ALA C C 100 181.851 181.851 179.830 2.021 18261 7252 1 10 . 1 1 100 100 ALA CA C 100 55.321 55.321 54.990 0.331 18261 7253 1 10 . 1 1 100 100 ALA CB C 100 18.479 18.479 18.278 0.201 18261 7254 1 10 . 1 1 100 100 ALA H H 100 8.973 8.973 7.883 1.090 18261 7255 1 10 . 1 1 101 101 MET N N 101 118.986 118.986 117.995 0.991 18261 7256 1 10 . 1 1 101 101 MET HA H 101 4.063 4.063 3.912 0.151 18261 7257 1 10 . 1 1 101 101 MET C C 101 177.483 177.483 178.528 -1.045 18261 7258 1 10 . 1 1 101 101 MET CA C 101 60.999 60.999 59.747 1.252 18261 7259 1 10 . 1 1 101 101 MET CB C 101 34.583 34.583 32.769 1.814 18261 7260 1 10 . 1 1 101 101 MET H H 101 9.072 9.072 8.754 0.318 18261 7261 1 10 . 1 1 102 102 SER N N 102 116.650 116.650 115.632 1.018 18261 7262 1 10 . 1 1 102 102 SER HA H 102 4.370 4.370 4.176 0.194 18261 7263 1 10 . 1 1 102 102 SER C C 102 176.357 176.357 176.788 -0.431 18261 7264 1 10 . 1 1 102 102 SER CA C 102 63.278 63.278 62.304 0.974 18261 7265 1 10 . 1 1 102 102 SER CB C 102 62.523 62.523 63.217 -0.694 18261 7266 1 10 . 1 1 102 102 SER H H 102 8.673 8.673 8.672 0.001 18261 7267 1 10 . 1 1 103 103 ASN N N 103 118.060 118.060 120.249 -2.189 18261 7268 1 10 . 1 1 103 103 ASN HA H 103 4.477 4.477 4.510 -0.033 18261 7269 1 10 . 1 1 103 103 ASN C C 103 176.603 176.603 177.422 -0.819 18261 7270 1 10 . 1 1 103 103 ASN CA C 103 56.564 56.564 55.904 0.660 18261 7271 1 10 . 1 1 103 103 ASN CB C 103 38.362 38.362 38.352 0.010 18261 7272 1 10 . 1 1 103 103 ASN H H 103 8.098 8.098 8.489 -0.391 18261 7273 1 10 . 1 1 104 104 ALA N N 104 122.235 122.235 122.017 0.218 18261 7274 1 10 . 1 1 104 104 ALA HA H 104 4.255 4.255 4.010 0.245 18261 7275 1 10 . 1 1 104 104 ALA C C 104 181.701 181.701 179.730 1.971 18261 7276 1 10 . 1 1 104 104 ALA CA C 104 54.815 54.815 54.818 -0.003 18261 7277 1 10 . 1 1 104 104 ALA CB C 104 18.177 18.177 18.078 0.099 18261 7278 1 10 . 1 1 104 104 ALA H H 104 7.919 7.919 7.883 0.036 18261 7279 1 10 . 1 1 105 105 PHE N N 105 119.159 119.159 120.799 -1.640 18261 7280 1 10 . 1 1 105 105 PHE HA H 105 4.401 4.401 4.736 -0.335 18261 7281 1 10 . 1 1 105 105 PHE C C 105 179.224 179.224 177.510 1.714 18261 7282 1 10 . 1 1 105 105 PHE CA C 105 63.744 63.744 60.152 3.592 18261 7283 1 10 . 1 1 105 105 PHE CB C 105 39.417 39.417 40.017 -0.600 18261 7284 1 10 . 1 1 105 105 PHE H H 105 8.615 8.615 8.811 -0.196 18261 7285 1 10 . 1 1 106 106 LEU N N 106 121.765 121.765 119.366 2.399 18261 7286 1 10 . 1 1 106 106 LEU HA H 106 3.741 3.741 4.101 -0.360 18261 7287 1 10 . 1 1 106 106 LEU C C 106 179.074 179.074 177.929 1.145 18261 7288 1 10 . 1 1 106 106 LEU CA C 106 59.086 59.086 57.524 1.562 18261 7289 1 10 . 1 1 106 106 LEU CB C 106 41.265 41.265 41.794 -0.529 18261 7290 1 10 . 1 1 106 106 LEU H H 106 8.259 8.259 8.214 0.045 18261 7291 1 10 . 1 1 107 107 GLN N N 107 114.755 114.755 116.044 -1.289 18261 7292 1 10 . 1 1 107 107 GLN HA H 107 4.189 4.189 4.359 -0.170 18261 7293 1 10 . 1 1 107 107 GLN C C 107 176.822 176.822 176.951 -0.129 18261 7294 1 10 . 1 1 107 107 GLN CA C 107 57.461 57.461 57.197 0.264 18261 7295 1 10 . 1 1 107 107 GLN CB C 107 29.393 29.393 28.481 0.912 18261 7296 1 10 . 1 1 107 107 GLN H H 107 8.176 8.176 7.796 0.380 18261 7297 1 10 . 1 1 108 108 THR N N 108 108.074 108.074 111.941 -3.867 18261 7298 1 10 . 1 1 108 108 THR HA H 108 4.517 4.517 4.372 0.145 18261 7299 1 10 . 1 1 108 108 THR C C 108 175.952 175.952 175.651 0.301 18261 7300 1 10 . 1 1 108 108 THR CA C 108 62.526 62.526 63.854 -1.328 18261 7301 1 10 . 1 1 108 108 THR CB C 108 70.320 70.320 69.740 0.580 18261 7302 1 10 . 1 1 108 108 THR H H 108 7.740 7.740 7.534 0.206 18261 7303 1 10 . 1 1 109 109 THR N N 109 113.029 113.029 111.422 1.607 18261 7304 1 10 . 1 1 109 109 THR HA H 109 4.620 4.620 4.389 0.231 18261 7305 1 10 . 1 1 109 109 THR C C 109 176.162 176.162 175.846 0.316 18261 7306 1 10 . 1 1 109 109 THR CA C 109 62.255 62.255 61.764 0.491 18261 7307 1 10 . 1 1 109 109 THR CB C 109 70.768 70.768 70.424 0.344 18261 7308 1 10 . 1 1 109 109 THR H H 109 8.869 8.869 7.849 1.020 18261 7309 1 10 . 1 1 110 110 GLY N N 110 109.433 109.433 109.700 -0.267 18261 7310 1 10 . 1 1 110 110 GLY C C 110 172.889 172.889 173.776 -0.887 18261 7311 1 10 . 1 1 110 110 GLY CA C 110 45.555 45.555 45.139 0.416 18261 7312 1 10 . 1 1 110 110 GLY H H 110 8.298 8.298 7.575 0.723 18261 7313 1 10 . 1 1 111 111 VAL N N 111 119.167 119.167 119.936 -0.769 18261 7314 1 10 . 1 1 111 111 VAL HA H 111 4.266 4.266 4.477 -0.211 18261 7315 1 10 . 1 1 111 111 VAL C C 111 174.421 174.421 175.421 -1.000 18261 7316 1 10 . 1 1 111 111 VAL CA C 111 60.783 60.783 60.427 0.356 18261 7317 1 10 . 1 1 111 111 VAL CB C 111 35.394 35.394 35.338 0.056 18261 7318 1 10 . 1 1 111 111 VAL H H 111 7.786 7.786 7.696 0.090 18261 7319 1 10 . 1 1 112 112 VAL N N 112 124.920 124.920 122.471 2.449 18261 7320 1 10 . 1 1 112 112 VAL HA H 112 3.251 3.251 4.354 -1.103 18261 7321 1 10 . 1 1 112 112 VAL C C 112 174.646 174.646 175.444 -0.798 18261 7322 1 10 . 1 1 112 112 VAL CA C 112 64.409 64.409 61.609 2.800 18261 7323 1 10 . 1 1 112 112 VAL CB C 112 32.626 32.626 32.874 -0.248 18261 7324 1 10 . 1 1 112 112 VAL H H 112 8.721 8.721 8.425 0.296 18261 7325 1 10 . 1 1 113 113 ASN HA H 113 4.505 4.505 4.832 -0.327 18261 7326 1 10 . 1 1 113 113 ASN CA C 113 50.080 50.080 51.693 -1.613 18261 7327 1 10 . 1 1 113 113 ASN CB C 113 36.910 36.910 39.018 -2.108 18261 7328 1 10 . 1 1 114 114 GLN N N 114 123.939 123.939 128.032 -4.093 18261 7329 1 10 . 1 1 114 114 GLN HA H 114 3.944 3.944 4.474 -0.530 18261 7330 1 10 . 1 1 114 114 GLN C C 114 174.811 174.811 174.872 -0.061 18261 7331 1 10 . 1 1 114 114 GLN CA C 114 59.348 59.348 59.266 0.082 18261 7332 1 10 . 1 1 114 114 GLN CB C 114 26.505 26.505 27.131 -0.626 18261 7333 1 10 . 1 1 114 114 GLN H H 114 8.368 8.368 8.754 -0.386 18261 7334 1 10 . 1 1 115 115 PRO HA H 115 4.243 4.243 4.052 0.191 18261 7335 1 10 . 1 1 115 115 PRO CA C 115 66.602 66.602 66.138 0.464 18261 7336 1 10 . 1 1 115 115 PRO CB C 115 31.215 31.215 31.124 0.091 18261 7337 1 10 . 1 1 116 116 PHE N N 116 117.612 117.612 114.629 2.983 18261 7338 1 10 . 1 1 116 116 PHE HA H 116 4.209 4.209 4.281 -0.072 18261 7339 1 10 . 1 1 116 116 PHE C C 116 176.597 176.597 178.356 -1.759 18261 7340 1 10 . 1 1 116 116 PHE CA C 116 61.261 61.261 62.061 -0.800 18261 7341 1 10 . 1 1 116 116 PHE CB C 116 39.506 39.506 38.516 0.990 18261 7342 1 10 . 1 1 116 116 PHE H H 116 7.249 7.249 7.644 -0.395 18261 7343 1 10 . 1 1 117 117 ILE N N 117 119.233 119.233 120.498 -1.265 18261 7344 1 10 . 1 1 117 117 ILE HA H 117 3.537 3.537 3.723 -0.186 18261 7345 1 10 . 1 1 117 117 ILE C C 117 178.789 178.789 177.953 0.836 18261 7346 1 10 . 1 1 117 117 ILE CA C 117 65.677 65.677 65.033 0.644 18261 7347 1 10 . 1 1 117 117 ILE CB C 117 38.125 38.125 37.537 0.588 18261 7348 1 10 . 1 1 117 117 ILE H H 117 7.652 7.652 7.512 0.140 18261 7349 1 10 . 1 1 118 118 ASN N N 118 119.875 119.875 119.269 0.606 18261 7350 1 10 . 1 1 118 118 ASN HA H 118 4.304 4.304 4.526 -0.222 18261 7351 1 10 . 1 1 118 118 ASN C C 118 177.033 177.033 178.633 -1.600 18261 7352 1 10 . 1 1 118 118 ASN CA C 118 55.716 55.716 55.949 -0.233 18261 7353 1 10 . 1 1 118 118 ASN CB C 118 37.423 37.423 37.800 -0.377 18261 7354 1 10 . 1 1 118 118 ASN H H 118 8.975 8.975 8.415 0.560 18261 7355 1 10 . 1 1 119 119 GLU N N 119 121.029 121.029 121.435 -0.406 18261 7356 1 10 . 1 1 119 119 GLU HA H 119 4.026 4.026 4.022 0.004 18261 7357 1 10 . 1 1 119 119 GLU C C 119 178.564 178.564 178.950 -0.386 18261 7358 1 10 . 1 1 119 119 GLU CA C 119 59.426 59.426 59.362 0.064 18261 7359 1 10 . 1 1 119 119 GLU CB C 119 29.646 29.646 29.675 -0.029 18261 7360 1 10 . 1 1 119 119 GLU H H 119 8.120 8.120 7.720 0.400 18261 7361 1 10 . 1 1 120 120 ILE N N 120 117.654 117.654 119.647 -1.993 18261 7362 1 10 . 1 1 120 120 ILE HA H 120 3.734 3.734 3.871 -0.137 18261 7363 1 10 . 1 1 120 120 ILE C C 120 178.279 178.279 178.334 -0.055 18261 7364 1 10 . 1 1 120 120 ILE CA C 120 62.756 62.756 65.315 -2.559 18261 7365 1 10 . 1 1 120 120 ILE CB C 120 35.645 35.645 38.004 -2.359 18261 7366 1 10 . 1 1 120 120 ILE H H 120 8.077 8.077 8.385 -0.308 18261 7367 1 10 . 1 1 121 121 THR N N 121 112.585 112.585 114.583 -1.998 18261 7368 1 10 . 1 1 121 121 THR HA H 121 3.753 3.753 3.990 -0.237 18261 7369 1 10 . 1 1 121 121 THR C C 121 177.258 177.258 176.975 0.283 18261 7370 1 10 . 1 1 121 121 THR CA C 121 67.090 67.090 66.690 0.400 18261 7371 1 10 . 1 1 121 121 THR CB C 121 68.254 68.254 68.293 -0.039 18261 7372 1 10 . 1 1 121 121 THR H H 121 8.640 8.640 8.261 0.379 18261 7373 1 10 . 1 1 122 122 GLN N N 122 123.063 123.063 121.221 1.842 18261 7374 1 10 . 1 1 122 122 GLN HA H 122 4.091 4.091 4.173 -0.082 18261 7375 1 10 . 1 1 122 122 GLN C C 122 179.014 179.014 178.506 0.508 18261 7376 1 10 . 1 1 122 122 GLN CA C 122 59.192 59.192 58.421 0.771 18261 7377 1 10 . 1 1 122 122 GLN CB C 122 28.020 28.020 28.113 -0.093 18261 7378 1 10 . 1 1 122 122 GLN H H 122 8.111 8.111 7.890 0.221 18261 7379 1 10 . 1 1 123 123 LEU N N 123 120.494 120.494 121.822 -1.328 18261 7380 1 10 . 1 1 123 123 LEU HA H 123 3.841 3.841 4.078 -0.237 18261 7381 1 10 . 1 1 123 123 LEU C C 123 178.354 178.354 178.968 -0.614 18261 7382 1 10 . 1 1 123 123 LEU CA C 123 58.005 58.005 57.908 0.097 18261 7383 1 10 . 1 1 123 123 LEU CB C 123 42.580 42.580 41.818 0.762 18261 7384 1 10 . 1 1 123 123 LEU H H 123 8.131 8.131 7.744 0.387 18261 7385 1 10 . 1 1 124 124 VAL N N 124 118.543 118.543 120.968 -2.425 18261 7386 1 10 . 1 1 124 124 VAL HA H 124 3.560 3.560 3.758 -0.198 18261 7387 1 10 . 1 1 124 124 VAL C C 124 177.453 177.453 178.375 -0.922 18261 7388 1 10 . 1 1 124 124 VAL CA C 124 67.297 67.297 67.282 0.015 18261 7389 1 10 . 1 1 124 124 VAL CB C 124 31.526 31.526 31.395 0.131 18261 7390 1 10 . 1 1 124 124 VAL H H 124 8.732 8.732 8.834 -0.102 18261 7391 1 10 . 1 1 125 125 SER N N 125 112.449 112.449 114.630 -2.181 18261 7392 1 10 . 1 1 125 125 SER HA H 125 4.044 4.044 4.101 -0.057 18261 7393 1 10 . 1 1 125 125 SER C C 125 175.937 175.937 176.802 -0.865 18261 7394 1 10 . 1 1 125 125 SER CA C 125 62.356 62.356 61.865 0.491 18261 7395 1 10 . 1 1 125 125 SER CB C 125 62.890 62.890 63.086 -0.195 18261 7396 1 10 . 1 1 125 125 SER H H 125 7.863 7.863 7.731 0.132 18261 7397 1 10 . 1 1 126 126 MET N N 126 120.797 120.797 121.264 -0.467 18261 7398 1 10 . 1 1 126 126 MET HA H 126 4.051 4.051 4.058 -0.007 18261 7399 1 10 . 1 1 126 126 MET C C 126 179.254 179.254 178.522 0.732 18261 7400 1 10 . 1 1 126 126 MET CA C 126 58.939 58.939 58.917 0.022 18261 7401 1 10 . 1 1 126 126 MET CB C 126 32.625 32.625 32.568 0.057 18261 7402 1 10 . 1 1 126 126 MET H H 126 8.033 8.033 7.551 0.482 18261 7403 1 10 . 1 1 127 127 PHE N N 127 118.244 118.244 117.161 1.083 18261 7404 1 10 . 1 1 127 127 PHE HA H 127 4.398 4.398 4.256 0.142 18261 7405 1 10 . 1 1 127 127 PHE C C 127 178.128 178.128 177.264 0.864 18261 7406 1 10 . 1 1 127 127 PHE CA C 127 59.991 59.991 60.467 -0.476 18261 7407 1 10 . 1 1 127 127 PHE CB C 127 38.584 38.584 38.433 0.151 18261 7408 1 10 . 1 1 127 127 PHE H H 127 8.753 8.753 8.352 0.401 18261 7409 1 10 . 1 1 128 128 ALA N N 128 120.518 120.518 121.299 -0.781 18261 7410 1 10 . 1 1 128 128 ALA HA H 128 4.152 4.152 4.297 -0.145 18261 7411 1 10 . 1 1 128 128 ALA C C 128 178.789 178.789 180.262 -1.473 18261 7412 1 10 . 1 1 128 128 ALA CA C 128 54.570 54.570 54.463 0.107 18261 7413 1 10 . 1 1 128 128 ALA CB C 128 19.373 19.373 18.693 0.680 18261 7414 1 10 . 1 1 128 128 ALA H H 128 8.681 8.681 8.189 0.492 18261 7415 1 10 . 1 1 129 129 GLN N N 129 115.315 115.315 118.355 -3.040 18261 7416 1 10 . 1 1 129 129 GLN HA H 129 4.197 4.197 4.069 0.128 18261 7417 1 10 . 1 1 129 129 GLN C C 129 177.258 177.258 177.722 -0.464 18261 7418 1 10 . 1 1 129 129 GLN CA C 129 57.519 57.519 58.427 -0.908 18261 7419 1 10 . 1 1 129 129 GLN CB C 129 29.271 29.271 28.395 0.876 18261 7420 1 10 . 1 1 129 129 GLN H H 129 7.835 7.835 7.842 -0.007 18261 7421 1 10 . 1 1 130 130 ALA N N 130 121.556 121.556 118.792 2.764 18261 7422 1 10 . 1 1 130 130 ALA HA H 130 4.285 4.285 4.460 -0.175 18261 7423 1 10 . 1 1 130 130 ALA C C 130 178.564 178.564 178.466 0.098 18261 7424 1 10 . 1 1 130 130 ALA CA C 130 53.823 53.823 53.040 0.783 18261 7425 1 10 . 1 1 130 130 ALA CB C 130 19.058 19.058 18.833 0.225 18261 7426 1 10 . 1 1 130 130 ALA H H 130 7.758 7.758 7.428 0.330 18261 7427 1 10 . 1 1 131 131 GLY N N 131 105.780 105.780 105.532 0.248 18261 7428 1 10 . 1 1 131 131 GLY C C 131 173.970 173.970 174.485 -0.515 18261 7429 1 10 . 1 1 131 131 GLY CA C 131 45.702 45.702 44.859 0.843 18261 7430 1 10 . 1 1 131 131 GLY H H 131 8.222 8.222 7.807 0.415 18261 7431 1 10 . 1 1 132 132 MET N N 132 118.358 118.358 118.115 0.243 18261 7432 1 10 . 1 1 132 132 MET HA H 132 4.540 4.540 4.550 -0.010 18261 7433 1 10 . 1 1 132 132 MET C C 132 175.952 175.952 176.018 -0.066 18261 7434 1 10 . 1 1 132 132 MET CA C 132 55.611 55.611 56.997 -1.386 18261 7435 1 10 . 1 1 132 132 MET CB C 132 33.473 33.473 34.528 -1.055 18261 7436 1 10 . 1 1 132 132 MET H H 132 7.763 7.763 7.481 0.282 18261 7437 1 10 . 1 1 133 133 ASN N N 133 119.002 119.002 117.630 1.372 18261 7438 1 10 . 1 1 133 133 ASN HA H 133 4.725 4.725 4.995 -0.270 18261 7439 1 10 . 1 1 133 133 ASN C C 133 174.646 174.646 173.695 0.951 18261 7440 1 10 . 1 1 133 133 ASN CA C 133 53.512 53.512 52.093 1.419 18261 7441 1 10 . 1 1 133 133 ASN CB C 133 39.301 39.301 41.153 -1.852 18261 7442 1 10 . 1 1 133 133 ASN H H 133 8.289 8.289 7.871 0.418 18261 7443 1 10 . 1 1 134 134 ASP N N 134 120.907 120.907 119.437 1.470 18261 7444 1 10 . 1 1 134 134 ASP HA H 134 4.659 4.659 4.640 0.019 18261 7445 1 10 . 1 1 134 134 ASP C C 134 176.162 176.162 175.687 0.475 18261 7446 1 10 . 1 1 134 134 ASP CA C 134 54.379 54.379 54.409 -0.030 18261 7447 1 10 . 1 1 134 134 ASP CB C 134 41.291 41.291 39.699 1.593 18261 7448 1 10 . 1 1 134 134 ASP H H 134 8.364 8.364 8.691 -0.327 18261 7449 1 10 . 1 1 135 135 VAL N N 135 119.971 119.971 121.943 -1.972 18261 7450 1 10 . 1 1 135 135 VAL HA H 135 4.214 4.214 4.040 0.174 18261 7451 1 10 . 1 1 135 135 VAL C C 135 176.162 176.162 175.758 0.404 18261 7452 1 10 . 1 1 135 135 VAL CA C 135 62.157 62.157 62.415 -0.258 18261 7453 1 10 . 1 1 135 135 VAL CB C 135 32.644 32.644 32.174 0.470 18261 7454 1 10 . 1 1 135 135 VAL H H 135 8.118 8.118 7.883 0.235 18261 7455 1 10 . 1 1 136 136 SER N N 136 119.918 119.918 117.949 1.969 18261 7456 1 10 . 1 1 136 136 SER HA H 136 4.462 4.462 4.463 -0.001 18261 7457 1 10 . 1 1 136 136 SER C C 136 173.325 173.325 173.521 -0.196 18261 7458 1 10 . 1 1 136 136 SER CA C 136 58.342 58.342 59.038 -0.696 18261 7459 1 10 . 1 1 136 136 SER CB C 136 64.041 64.041 61.860 2.181 18261 7460 1 10 . 1 1 136 136 SER H H 136 8.410 8.410 8.144 0.266 18261 7461 1 11 . 1 1 3 3 GLY CA C 3 45.200 45.200 45.067 0.133 18261 7462 1 11 . 1 1 4 4 ASN N N 4 124.083 124.083 118.872 5.211 18261 7463 1 11 . 1 1 4 4 ASN HA H 4 4.530 4.530 4.829 -0.299 18261 7464 1 11 . 1 1 4 4 ASN C C 4 179.449 179.449 175.136 4.313 18261 7465 1 11 . 1 1 4 4 ASN CA C 4 54.803 54.803 53.901 0.902 18261 7466 1 11 . 1 1 4 4 ASN CB C 4 41.106 41.106 39.933 1.173 18261 7467 1 11 . 1 1 4 4 ASN H H 4 7.981 7.981 7.992 -0.011 18261 7468 1 11 . 1 1 6 6 HIS HA H 6 4.693 4.693 4.670 0.023 18261 7469 1 11 . 1 1 6 6 HIS CA C 6 56.115 56.115 54.758 1.357 18261 7470 1 11 . 1 1 6 6 HIS CB C 6 31.011 31.011 30.014 0.997 18261 7471 1 11 . 1 1 7 7 THR N N 7 115.238 115.238 122.532 -7.294 18261 7472 1 11 . 1 1 7 7 THR HA H 7 4.318 4.318 4.137 0.181 18261 7473 1 11 . 1 1 7 7 THR C C 7 173.970 173.970 174.170 -0.200 18261 7474 1 11 . 1 1 7 7 THR CA C 7 62.099 62.099 63.586 -1.487 18261 7475 1 11 . 1 1 7 7 THR CB C 7 69.779 69.779 68.710 1.069 18261 7476 1 11 . 1 1 7 7 THR H H 7 8.120 8.120 8.466 -0.346 18261 7477 1 11 . 1 1 8 8 THR N N 8 115.713 115.713 122.409 -6.696 18261 7478 1 11 . 1 1 8 8 THR HA H 8 4.146 4.146 4.720 -0.574 18261 7479 1 11 . 1 1 8 8 THR C C 8 172.664 172.664 172.811 -0.147 18261 7480 1 11 . 1 1 8 8 THR CA C 8 58.349 58.349 58.273 0.076 18261 7481 1 11 . 1 1 8 8 THR CB C 8 69.219 69.219 71.521 -2.302 18261 7482 1 11 . 1 1 8 8 THR H H 8 7.977 7.977 8.151 -0.174 18261 7483 1 11 . 1 1 9 9 PRO HA H 9 3.939 3.939 4.090 -0.151 18261 7484 1 11 . 1 1 9 9 PRO CA C 9 62.965 62.965 63.633 -0.668 18261 7485 1 11 . 1 1 9 9 PRO CB C 9 30.610 30.610 30.805 -0.195 18261 7486 1 11 . 1 1 10 10 TRP N N 10 111.487 111.487 116.564 -5.077 18261 7487 1 11 . 1 1 10 10 TRP HA H 10 4.899 4.899 4.713 0.186 18261 7488 1 11 . 1 1 10 10 TRP C C 10 175.817 175.817 177.194 -1.377 18261 7489 1 11 . 1 1 10 10 TRP CA C 10 54.292 54.292 55.576 -1.284 18261 7490 1 11 . 1 1 10 10 TRP CB C 10 31.219 31.219 29.332 1.887 18261 7491 1 11 . 1 1 10 10 TRP H H 10 6.681 6.681 7.439 -0.758 18261 7492 1 11 . 1 1 11 11 THR N N 11 106.120 106.120 114.111 -7.991 18261 7493 1 11 . 1 1 11 11 THR HA H 11 3.905 3.905 4.145 -0.240 18261 7494 1 11 . 1 1 11 11 THR C C 11 173.970 173.970 175.012 -1.042 18261 7495 1 11 . 1 1 11 11 THR CA C 11 63.937 63.937 64.762 -0.825 18261 7496 1 11 . 1 1 11 11 THR CB C 11 69.242 69.242 69.004 0.238 18261 7497 1 11 . 1 1 11 11 THR H H 11 7.189 7.189 7.344 -0.155 18261 7498 1 11 . 1 1 12 12 ASN N N 12 116.403 116.403 119.409 -3.006 18261 7499 1 11 . 1 1 12 12 ASN HA H 12 5.115 5.115 5.019 0.096 18261 7500 1 11 . 1 1 12 12 ASN C C 12 172.889 172.889 174.457 -1.568 18261 7501 1 11 . 1 1 12 12 ASN CA C 12 51.276 51.276 51.363 -0.087 18261 7502 1 11 . 1 1 12 12 ASN CB C 12 40.474 40.474 40.217 0.257 18261 7503 1 11 . 1 1 12 12 ASN H H 12 7.282 7.282 8.300 -1.018 18261 7504 1 11 . 1 1 13 13 PRO HA H 13 4.210 4.210 4.304 -0.094 18261 7505 1 11 . 1 1 13 13 PRO CA C 13 65.516 65.516 65.340 0.176 18261 7506 1 11 . 1 1 13 13 PRO CB C 13 32.418 32.418 32.154 0.264 18261 7507 1 11 . 1 1 14 14 GLY N N 14 108.796 108.796 107.716 1.080 18261 7508 1 11 . 1 1 14 14 GLY C C 14 175.952 175.952 176.210 -0.258 18261 7509 1 11 . 1 1 14 14 GLY CA C 14 47.073 47.073 46.475 0.598 18261 7510 1 11 . 1 1 14 14 GLY H H 14 8.363 8.363 8.413 -0.050 18261 7511 1 11 . 1 1 15 15 LEU N N 15 124.473 124.473 123.320 1.153 18261 7512 1 11 . 1 1 15 15 LEU HA H 15 4.335 4.335 4.208 0.127 18261 7513 1 11 . 1 1 15 15 LEU C C 15 178.564 178.564 178.584 -0.020 18261 7514 1 11 . 1 1 15 15 LEU CA C 15 57.402 57.402 56.919 0.483 18261 7515 1 11 . 1 1 15 15 LEU CB C 15 41.600 41.600 41.609 -0.009 18261 7516 1 11 . 1 1 15 15 LEU H H 15 7.890 7.890 7.733 0.157 18261 7517 1 11 . 1 1 16 16 ALA N N 16 121.371 121.371 121.730 -0.359 18261 7518 1 11 . 1 1 16 16 ALA HA H 16 4.000 4.000 4.146 -0.146 18261 7519 1 11 . 1 1 16 16 ALA C C 16 179.104 179.104 179.745 -0.641 18261 7520 1 11 . 1 1 16 16 ALA CA C 16 56.360 56.360 55.307 1.053 18261 7521 1 11 . 1 1 16 16 ALA CB C 16 19.351 19.351 18.241 1.110 18261 7522 1 11 . 1 1 16 16 ALA H H 16 8.429 8.429 8.397 0.032 18261 7523 1 11 . 1 1 17 17 GLU N N 17 117.199 117.199 119.792 -2.593 18261 7524 1 11 . 1 1 17 17 GLU HA H 17 3.964 3.964 3.978 -0.014 18261 7525 1 11 . 1 1 17 17 GLU C C 17 177.993 177.993 179.021 -1.028 18261 7526 1 11 . 1 1 17 17 GLU CA C 17 59.543 59.543 59.446 0.097 18261 7527 1 11 . 1 1 17 17 GLU CB C 17 29.932 29.932 29.424 0.508 18261 7528 1 11 . 1 1 17 17 GLU H H 17 8.030 8.030 8.143 -0.113 18261 7529 1 11 . 1 1 18 18 ASN N N 18 118.433 118.433 117.947 0.486 18261 7530 1 11 . 1 1 18 18 ASN HA H 18 4.546 4.546 4.510 0.036 18261 7531 1 11 . 1 1 18 18 ASN C C 18 178.347 178.347 177.736 0.611 18261 7532 1 11 . 1 1 18 18 ASN CA C 18 56.226 56.226 56.376 -0.150 18261 7533 1 11 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.770 -0.646 18261 7534 1 11 . 1 1 18 18 ASN H H 18 8.075 8.075 7.954 0.121 18261 7535 1 11 . 1 1 19 19 PHE N N 19 122.078 122.078 123.725 -1.647 18261 7536 1 11 . 1 1 19 19 PHE HA H 19 3.881 3.881 4.134 -0.253 18261 7537 1 11 . 1 1 19 19 PHE C C 19 176.837 176.837 177.320 -0.483 18261 7538 1 11 . 1 1 19 19 PHE CA C 19 62.230 62.230 61.801 0.429 18261 7539 1 11 . 1 1 19 19 PHE CB C 19 39.450 39.450 39.095 0.355 18261 7540 1 11 . 1 1 19 19 PHE H H 19 9.623 9.623 8.868 0.755 18261 7541 1 11 . 1 1 20 20 MET N N 20 118.264 118.264 116.839 1.425 18261 7542 1 11 . 1 1 20 20 MET HA H 20 4.424 4.424 4.103 0.321 18261 7543 1 11 . 1 1 20 20 MET C C 20 178.924 178.924 178.898 0.026 18261 7544 1 11 . 1 1 20 20 MET CA C 20 57.480 57.480 57.438 0.042 18261 7545 1 11 . 1 1 20 20 MET CB C 20 31.929 31.929 31.133 0.796 18261 7546 1 11 . 1 1 20 20 MET H H 20 8.865 8.865 8.457 0.408 18261 7547 1 11 . 1 1 21 21 ASN N N 21 118.455 118.455 119.528 -1.073 18261 7548 1 11 . 1 1 21 21 ASN HA H 21 4.542 4.542 4.458 0.084 18261 7549 1 11 . 1 1 21 21 ASN C C 21 178.249 178.249 177.718 0.531 18261 7550 1 11 . 1 1 21 21 ASN CA C 21 56.305 56.305 57.072 -0.767 18261 7551 1 11 . 1 1 21 21 ASN CB C 21 37.916 37.916 38.549 -0.633 18261 7552 1 11 . 1 1 21 21 ASN H H 21 8.453 8.453 7.786 0.667 18261 7553 1 11 . 1 1 22 22 SER N N 22 116.036 116.036 116.418 -0.382 18261 7554 1 11 . 1 1 22 22 SER HA H 22 4.196 4.196 4.470 -0.274 18261 7555 1 11 . 1 1 22 22 SER C C 22 178.143 178.143 176.640 1.503 18261 7556 1 11 . 1 1 22 22 SER CA C 22 62.256 62.256 61.238 1.018 18261 7557 1 11 . 1 1 22 22 SER CB C 22 62.870 62.870 62.760 0.111 18261 7558 1 11 . 1 1 22 22 SER H H 22 7.959 7.959 8.365 -0.406 18261 7559 1 11 . 1 1 23 23 PHE N N 23 124.987 124.987 124.821 0.166 18261 7560 1 11 . 1 1 23 23 PHE HA H 23 4.005 4.005 4.069 -0.064 18261 7561 1 11 . 1 1 23 23 PHE C C 23 175.652 175.652 177.018 -1.366 18261 7562 1 11 . 1 1 23 23 PHE CA C 23 60.525 60.525 61.075 -0.550 18261 7563 1 11 . 1 1 23 23 PHE CB C 23 38.899 38.899 38.897 0.002 18261 7564 1 11 . 1 1 23 23 PHE H H 23 9.045 9.045 8.398 0.647 18261 7565 1 11 . 1 1 24 24 MET N N 24 117.260 117.260 117.443 -0.183 18261 7566 1 11 . 1 1 24 24 MET HA H 24 4.040 4.040 3.783 0.257 18261 7567 1 11 . 1 1 24 24 MET C C 24 179.797 179.797 178.587 1.210 18261 7568 1 11 . 1 1 24 24 MET CA C 24 56.047 56.047 56.353 -0.306 18261 7569 1 11 . 1 1 24 24 MET CB C 24 30.308 30.308 31.216 -0.908 18261 7570 1 11 . 1 1 24 24 MET H H 24 8.302 8.302 8.016 0.286 18261 7571 1 11 . 1 1 25 25 GLN N N 25 120.167 120.167 118.325 1.842 18261 7572 1 11 . 1 1 25 25 GLN HA H 25 3.985 3.985 4.000 -0.015 18261 7573 1 11 . 1 1 25 25 GLN C C 25 179.870 179.870 178.349 1.521 18261 7574 1 11 . 1 1 25 25 GLN CA C 25 59.136 59.136 58.491 0.645 18261 7575 1 11 . 1 1 25 25 GLN CB C 25 28.234 28.234 28.406 -0.172 18261 7576 1 11 . 1 1 25 25 GLN H H 25 8.038 8.038 8.484 -0.446 18261 7577 1 11 . 1 1 26 26 GLY N N 26 107.636 107.636 106.959 0.677 18261 7578 1 11 . 1 1 26 26 GLY C C 26 176.387 176.387 175.836 0.551 18261 7579 1 11 . 1 1 26 26 GLY CA C 26 46.911 46.911 45.736 1.175 18261 7580 1 11 . 1 1 26 26 GLY H H 26 8.095 8.095 7.597 0.498 18261 7581 1 11 . 1 1 27 27 LEU N N 27 122.877 122.877 123.869 -0.992 18261 7582 1 11 . 1 1 27 27 LEU HA H 27 3.783 3.783 3.940 -0.157 18261 7583 1 11 . 1 1 27 27 LEU C C 27 178.564 178.564 178.796 -0.232 18261 7584 1 11 . 1 1 27 27 LEU CA C 27 57.262 57.262 56.929 0.333 18261 7585 1 11 . 1 1 27 27 LEU CB C 27 42.076 42.076 40.560 1.516 18261 7586 1 11 . 1 1 27 27 LEU H H 27 8.369 8.369 8.352 0.017 18261 7587 1 11 . 1 1 28 28 SER N N 28 109.474 109.474 113.397 -3.923 18261 7588 1 11 . 1 1 28 28 SER HA H 28 4.138 4.138 4.267 -0.129 18261 7589 1 11 . 1 1 28 28 SER C C 28 174.421 174.421 175.210 -0.789 18261 7590 1 11 . 1 1 28 28 SER CA C 28 61.153 61.153 60.015 1.138 18261 7591 1 11 . 1 1 28 28 SER CB C 28 63.320 63.320 62.733 0.586 18261 7592 1 11 . 1 1 28 28 SER H H 28 7.527 7.527 8.215 -0.688 18261 7593 1 11 . 1 1 29 29 SER N N 29 114.550 114.550 115.004 -0.454 18261 7594 1 11 . 1 1 29 29 SER HA H 29 4.734 4.734 4.631 0.103 18261 7595 1 11 . 1 1 29 29 SER C C 29 173.970 173.970 173.837 0.133 18261 7596 1 11 . 1 1 29 29 SER CA C 29 57.927 57.927 57.953 -0.027 18261 7597 1 11 . 1 1 29 29 SER CB C 29 64.500 64.500 64.094 0.406 18261 7598 1 11 . 1 1 29 29 SER H H 29 7.449 7.449 7.751 -0.302 18261 7599 1 11 . 1 1 30 30 MET N N 30 122.420 122.420 122.325 0.095 18261 7600 1 11 . 1 1 30 30 MET HA H 30 4.952 4.952 4.908 0.044 18261 7601 1 11 . 1 1 30 30 MET C C 30 174.195 174.195 174.064 0.131 18261 7602 1 11 . 1 1 30 30 MET CA C 30 53.638 53.638 51.146 2.492 18261 7603 1 11 . 1 1 30 30 MET CB C 30 32.305 32.305 31.897 0.408 18261 7604 1 11 . 1 1 30 30 MET H H 30 7.674 7.674 7.685 -0.011 18261 7605 1 11 . 1 1 31 31 PRO HA H 31 4.669 4.669 4.521 0.148 18261 7606 1 11 . 1 1 31 31 PRO CA C 31 62.880 62.880 63.459 -0.579 18261 7607 1 11 . 1 1 31 31 PRO CB C 31 32.742 32.742 32.532 0.210 18261 7608 1 11 . 1 1 32 32 GLY N N 32 106.222 106.222 110.369 -4.147 18261 7609 1 11 . 1 1 32 32 GLY C C 32 172.454 172.454 174.067 -1.613 18261 7610 1 11 . 1 1 32 32 GLY CA C 32 45.608 45.608 44.776 0.832 18261 7611 1 11 . 1 1 32 32 GLY H H 32 8.415 8.415 8.527 -0.112 18261 7612 1 11 . 1 1 33 33 PHE N N 33 116.404 116.404 119.074 -2.670 18261 7613 1 11 . 1 1 33 33 PHE HA H 33 5.167 5.167 5.077 0.090 18261 7614 1 11 . 1 1 33 33 PHE C C 33 176.387 176.387 175.842 0.545 18261 7615 1 11 . 1 1 33 33 PHE CA C 33 56.750 56.750 57.489 -0.739 18261 7616 1 11 . 1 1 33 33 PHE CB C 33 42.080 42.080 40.371 1.708 18261 7617 1 11 . 1 1 33 33 PHE H H 33 7.871 7.871 7.397 0.474 18261 7618 1 11 . 1 1 34 34 THR N N 34 113.684 113.684 111.961 1.723 18261 7619 1 11 . 1 1 34 34 THR HA H 34 4.545 4.545 4.514 0.031 18261 7620 1 11 . 1 1 34 34 THR C C 34 175.066 175.066 174.738 0.328 18261 7621 1 11 . 1 1 34 34 THR CA C 34 60.339 60.339 60.193 0.146 18261 7622 1 11 . 1 1 34 34 THR CB C 34 70.381 70.381 71.184 -0.804 18261 7623 1 11 . 1 1 34 34 THR H H 34 8.899 8.899 7.949 0.950 18261 7624 1 11 . 1 1 35 35 ALA N N 35 122.927 122.927 125.966 -3.039 18261 7625 1 11 . 1 1 35 35 ALA HA H 35 4.092 4.092 4.166 -0.074 18261 7626 1 11 . 1 1 35 35 ALA C C 35 180.755 180.755 179.465 1.290 18261 7627 1 11 . 1 1 35 35 ALA CA C 35 55.827 55.827 55.277 0.550 18261 7628 1 11 . 1 1 35 35 ALA CB C 35 18.098 18.098 18.667 -0.569 18261 7629 1 11 . 1 1 35 35 ALA H H 35 8.864 8.864 8.689 0.175 18261 7630 1 11 . 1 1 36 36 SER N N 36 112.708 112.708 113.033 -0.325 18261 7631 1 11 . 1 1 36 36 SER HA H 36 4.276 4.276 4.180 0.096 18261 7632 1 11 . 1 1 36 36 SER C C 36 177.033 177.033 176.807 0.226 18261 7633 1 11 . 1 1 36 36 SER CA C 36 61.403 61.403 61.705 -0.302 18261 7634 1 11 . 1 1 36 36 SER CB C 36 62.371 62.371 62.880 -0.509 18261 7635 1 11 . 1 1 36 36 SER H H 36 8.389 8.389 8.065 0.324 18261 7636 1 11 . 1 1 37 37 GLN N N 37 121.595 121.595 121.354 0.241 18261 7637 1 11 . 1 1 37 37 GLN HA H 37 4.272 4.272 4.166 0.106 18261 7638 1 11 . 1 1 37 37 GLN C C 37 179.149 179.149 178.645 0.504 18261 7639 1 11 . 1 1 37 37 GLN CA C 37 58.638 58.638 58.629 0.009 18261 7640 1 11 . 1 1 37 37 GLN CB C 37 29.123 29.123 28.934 0.189 18261 7641 1 11 . 1 1 37 37 GLN H H 37 7.621 7.621 7.509 0.112 18261 7642 1 11 . 1 1 38 38 LEU N N 38 119.852 119.852 121.142 -1.290 18261 7643 1 11 . 1 1 38 38 LEU HA H 38 3.838 3.838 3.917 -0.079 18261 7644 1 11 . 1 1 38 38 LEU C C 38 179.675 179.675 178.828 0.847 18261 7645 1 11 . 1 1 38 38 LEU CA C 38 57.929 57.929 58.102 -0.173 18261 7646 1 11 . 1 1 38 38 LEU CB C 38 40.918 40.918 41.494 -0.576 18261 7647 1 11 . 1 1 38 38 LEU H H 38 8.341 8.341 8.702 -0.361 18261 7648 1 11 . 1 1 39 39 ASP N N 39 122.065 122.065 119.966 2.099 18261 7649 1 11 . 1 1 39 39 ASP HA H 39 4.439 4.439 4.214 0.225 18261 7650 1 11 . 1 1 39 39 ASP C C 39 179.224 179.224 178.014 1.210 18261 7651 1 11 . 1 1 39 39 ASP CA C 39 57.710 57.710 58.194 -0.484 18261 7652 1 11 . 1 1 39 39 ASP CB C 39 40.245 40.245 40.696 -0.451 18261 7653 1 11 . 1 1 39 39 ASP H H 39 7.955 7.955 8.263 -0.308 18261 7654 1 11 . 1 1 40 40 ASP N N 40 121.957 121.957 120.430 1.527 18261 7655 1 11 . 1 1 40 40 ASP HA H 40 4.483 4.483 4.402 0.081 18261 7656 1 11 . 1 1 40 40 ASP C C 40 179.600 179.600 178.460 1.140 18261 7657 1 11 . 1 1 40 40 ASP CA C 40 57.745 57.745 57.126 0.619 18261 7658 1 11 . 1 1 40 40 ASP CB C 40 40.190 40.190 41.080 -0.890 18261 7659 1 11 . 1 1 40 40 ASP H H 40 8.022 8.022 7.582 0.440 18261 7660 1 11 . 1 1 41 41 MET N N 41 121.160 121.160 119.892 1.268 18261 7661 1 11 . 1 1 41 41 MET HA H 41 4.204 4.204 4.054 0.150 18261 7662 1 11 . 1 1 41 41 MET C C 41 177.693 177.693 178.149 -0.456 18261 7663 1 11 . 1 1 41 41 MET CA C 41 57.634 57.634 59.157 -1.523 18261 7664 1 11 . 1 1 41 41 MET CB C 41 31.422 31.422 32.743 -1.321 18261 7665 1 11 . 1 1 41 41 MET H H 41 8.668 8.668 8.213 0.455 18261 7666 1 11 . 1 1 42 42 SER N N 42 116.421 116.421 114.508 1.913 18261 7667 1 11 . 1 1 42 42 SER HA H 42 4.304 4.304 4.215 0.089 18261 7668 1 11 . 1 1 42 42 SER C C 42 177.483 177.483 176.795 0.688 18261 7669 1 11 . 1 1 42 42 SER CA C 42 62.075 62.075 62.087 -0.012 18261 7670 1 11 . 1 1 42 42 SER CB C 42 62.765 62.765 63.150 -0.385 18261 7671 1 11 . 1 1 42 42 SER H H 42 8.375 8.375 8.614 -0.239 18261 7672 1 11 . 1 1 43 43 THR N N 43 118.797 118.797 119.059 -0.262 18261 7673 1 11 . 1 1 43 43 THR HA H 43 4.042 4.042 4.045 -0.003 18261 7674 1 11 . 1 1 43 43 THR C C 43 177.258 177.258 176.865 0.393 18261 7675 1 11 . 1 1 43 43 THR CA C 43 66.584 66.584 66.647 -0.063 18261 7676 1 11 . 1 1 43 43 THR CB C 43 68.490 68.490 68.788 -0.298 18261 7677 1 11 . 1 1 43 43 THR H H 43 7.928 7.928 7.627 0.301 18261 7678 1 11 . 1 1 44 44 ILE N N 44 122.960 122.960 120.847 2.113 18261 7679 1 11 . 1 1 44 44 ILE HA H 44 3.930 3.930 3.816 0.114 18261 7680 1 11 . 1 1 44 44 ILE C C 44 178.564 178.564 177.731 0.833 18261 7681 1 11 . 1 1 44 44 ILE CA C 44 64.483 64.483 62.681 1.802 18261 7682 1 11 . 1 1 44 44 ILE CB C 44 38.015 38.015 36.479 1.536 18261 7683 1 11 . 1 1 44 44 ILE H H 44 7.863 7.863 7.795 0.068 18261 7684 1 11 . 1 1 45 45 ALA N N 45 124.792 124.792 122.658 2.134 18261 7685 1 11 . 1 1 45 45 ALA HA H 45 4.122 4.122 3.994 0.128 18261 7686 1 11 . 1 1 45 45 ALA C C 45 179.404 179.404 179.810 -0.406 18261 7687 1 11 . 1 1 45 45 ALA CA C 45 56.009 56.009 55.201 0.808 18261 7688 1 11 . 1 1 45 45 ALA CB C 45 18.908 18.908 18.444 0.464 18261 7689 1 11 . 1 1 45 45 ALA H H 45 8.853 8.853 8.223 0.630 18261 7690 1 11 . 1 1 46 46 GLN N N 46 116.307 116.307 116.841 -0.534 18261 7691 1 11 . 1 1 46 46 GLN HA H 46 4.068 4.068 4.004 0.064 18261 7692 1 11 . 1 1 46 46 GLN C C 46 179.014 179.014 178.450 0.564 18261 7693 1 11 . 1 1 46 46 GLN CA C 46 58.903 58.903 58.175 0.728 18261 7694 1 11 . 1 1 46 46 GLN CB C 46 28.250 28.250 27.791 0.459 18261 7695 1 11 . 1 1 46 46 GLN H H 46 8.238 8.238 8.157 0.081 18261 7696 1 11 . 1 1 47 47 SER N N 47 115.959 115.959 115.619 0.340 18261 7697 1 11 . 1 1 47 47 SER HA H 47 4.261 4.261 4.201 0.060 18261 7698 1 11 . 1 1 47 47 SER C C 47 177.483 177.483 176.777 0.706 18261 7699 1 11 . 1 1 47 47 SER CA C 47 61.526 61.526 61.420 0.106 18261 7700 1 11 . 1 1 47 47 SER CB C 47 62.842 62.842 62.563 0.279 18261 7701 1 11 . 1 1 47 47 SER H H 47 8.223 8.223 7.439 0.784 18261 7702 1 11 . 1 1 48 48 MET N N 48 121.963 121.963 120.701 1.262 18261 7703 1 11 . 1 1 48 48 MET HA H 48 4.110 4.110 3.970 0.140 18261 7704 1 11 . 1 1 48 48 MET C C 48 177.798 177.798 178.128 -0.330 18261 7705 1 11 . 1 1 48 48 MET CA C 48 57.531 57.531 59.191 -1.660 18261 7706 1 11 . 1 1 48 48 MET CB C 48 31.169 31.169 32.462 -1.293 18261 7707 1 11 . 1 1 48 48 MET H H 48 8.245 8.245 7.413 0.832 18261 7708 1 11 . 1 1 49 49 VAL N N 49 119.045 119.045 120.413 -1.368 18261 7709 1 11 . 1 1 49 49 VAL HA H 49 3.300 3.300 3.551 -0.251 18261 7710 1 11 . 1 1 49 49 VAL C C 49 177.910 177.910 178.371 -0.461 18261 7711 1 11 . 1 1 49 49 VAL CA C 49 67.811 67.811 67.227 0.584 18261 7712 1 11 . 1 1 49 49 VAL CB C 49 31.370 31.370 31.089 0.281 18261 7713 1 11 . 1 1 49 49 VAL H H 49 7.809 7.809 7.748 0.061 18261 7714 1 11 . 1 1 50 50 GLN N N 50 118.357 118.357 116.667 1.690 18261 7715 1 11 . 1 1 50 50 GLN HA H 50 4.091 4.091 3.963 0.128 18261 7716 1 11 . 1 1 50 50 GLN C C 50 179.449 179.449 178.375 1.074 18261 7717 1 11 . 1 1 50 50 GLN CA C 50 59.056 59.056 58.078 0.978 18261 7718 1 11 . 1 1 50 50 GLN CB C 50 28.020 28.020 28.108 -0.088 18261 7719 1 11 . 1 1 50 50 GLN H H 50 8.225 8.225 8.512 -0.287 18261 7720 1 11 . 1 1 51 51 SER N N 51 117.253 117.253 115.934 1.319 18261 7721 1 11 . 1 1 51 51 SER HA H 51 4.235 4.235 4.261 -0.026 18261 7722 1 11 . 1 1 51 51 SER C C 51 176.374 176.374 176.383 -0.009 18261 7723 1 11 . 1 1 51 51 SER CA C 51 62.752 62.752 61.075 1.677 18261 7724 1 11 . 1 1 51 51 SER CB C 51 62.963 62.963 62.827 0.136 18261 7725 1 11 . 1 1 51 51 SER H H 51 8.328 8.328 7.285 1.043 18261 7726 1 11 . 1 1 52 52 ILE N N 52 123.114 123.114 122.600 0.514 18261 7727 1 11 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.607 -0.008 18261 7728 1 11 . 1 1 52 52 ILE C C 52 178.684 178.684 177.851 0.833 18261 7729 1 11 . 1 1 52 52 ILE CA C 52 64.736 64.736 65.152 -0.416 18261 7730 1 11 . 1 1 52 52 ILE CB C 52 37.838 37.838 37.394 0.444 18261 7731 1 11 . 1 1 52 52 ILE H H 52 8.147 8.147 8.341 -0.194 18261 7732 1 11 . 1 1 53 53 GLN N N 53 120.011 120.011 119.397 0.614 18261 7733 1 11 . 1 1 53 53 GLN HA H 53 3.946 3.946 4.033 -0.087 18261 7734 1 11 . 1 1 53 53 GLN C C 53 179.014 179.014 177.801 1.213 18261 7735 1 11 . 1 1 53 53 GLN CA C 53 59.501 59.501 58.696 0.805 18261 7736 1 11 . 1 1 53 53 GLN CB C 53 27.901 27.901 28.149 -0.248 18261 7737 1 11 . 1 1 53 53 GLN H H 53 8.583 8.583 8.383 0.200 18261 7738 1 11 . 1 1 54 54 SER N N 54 115.479 115.479 113.783 1.696 18261 7739 1 11 . 1 1 54 54 SER HA H 54 4.302 4.302 4.491 -0.189 18261 7740 1 11 . 1 1 54 54 SER C C 54 176.822 176.822 176.240 0.582 18261 7741 1 11 . 1 1 54 54 SER CA C 54 61.492 61.492 59.737 1.755 18261 7742 1 11 . 1 1 54 54 SER CB C 54 62.880 62.880 64.086 -1.206 18261 7743 1 11 . 1 1 54 54 SER H H 54 8.271 8.271 7.626 0.645 18261 7744 1 11 . 1 1 55 55 LEU N N 55 121.519 121.519 123.896 -2.377 18261 7745 1 11 . 1 1 55 55 LEU HA H 55 4.068 4.068 4.032 0.036 18261 7746 1 11 . 1 1 55 55 LEU C C 55 179.434 179.434 177.503 1.931 18261 7747 1 11 . 1 1 55 55 LEU CA C 55 57.793 57.793 58.006 -0.213 18261 7748 1 11 . 1 1 55 55 LEU CB C 55 42.245 42.245 41.726 0.519 18261 7749 1 11 . 1 1 55 55 LEU H H 55 7.974 7.974 8.456 -0.482 18261 7750 1 11 . 1 1 56 56 ALA N N 56 121.040 121.040 118.560 2.480 18261 7751 1 11 . 1 1 56 56 ALA HA H 56 4.228 4.228 4.299 -0.071 18261 7752 1 11 . 1 1 56 56 ALA C C 56 180.530 180.530 178.628 1.902 18261 7753 1 11 . 1 1 56 56 ALA CA C 56 54.331 54.331 54.048 0.283 18261 7754 1 11 . 1 1 56 56 ALA CB C 56 18.075 18.075 18.262 -0.187 18261 7755 1 11 . 1 1 56 56 ALA H H 56 8.032 8.032 8.188 -0.156 18261 7756 1 11 . 1 1 57 57 ALA N N 57 121.325 121.325 120.950 0.375 18261 7757 1 11 . 1 1 57 57 ALA HA H 57 4.219 4.219 4.269 -0.050 18261 7758 1 11 . 1 1 57 57 ALA C C 57 179.344 179.344 179.167 0.177 18261 7759 1 11 . 1 1 57 57 ALA CA C 57 54.446 54.446 53.886 0.560 18261 7760 1 11 . 1 1 57 57 ALA CB C 57 18.470 18.470 19.108 -0.638 18261 7761 1 11 . 1 1 57 57 ALA H H 57 8.030 8.030 7.501 0.529 18261 7762 1 11 . 1 1 58 58 GLN N N 58 114.257 114.257 116.904 -2.647 18261 7763 1 11 . 1 1 58 58 GLN HA H 58 4.356 4.356 4.274 0.082 18261 7764 1 11 . 1 1 58 58 GLN C C 58 176.612 176.612 176.280 0.332 18261 7765 1 11 . 1 1 58 58 GLN CA C 58 55.957 55.957 55.583 0.374 18261 7766 1 11 . 1 1 58 58 GLN CB C 58 29.767 29.767 29.186 0.581 18261 7767 1 11 . 1 1 58 58 GLN H H 58 7.751 7.751 8.277 -0.526 18261 7768 1 11 . 1 1 59 59 GLY N N 59 108.304 108.304 106.977 1.327 18261 7769 1 11 . 1 1 59 59 GLY C C 59 174.856 174.856 174.748 0.108 18261 7770 1 11 . 1 1 59 59 GLY CA C 59 46.197 46.197 45.746 0.451 18261 7771 1 11 . 1 1 59 59 GLY H H 59 7.910 7.910 7.816 0.094 18261 7772 1 11 . 1 1 60 60 ARG N N 60 118.258 118.258 117.367 0.891 18261 7773 1 11 . 1 1 60 60 ARG HA H 60 4.553 4.553 4.490 0.063 18261 7774 1 11 . 1 1 60 60 ARG C C 60 175.847 175.847 176.042 -0.195 18261 7775 1 11 . 1 1 60 60 ARG CA C 60 55.658 55.658 55.289 0.369 18261 7776 1 11 . 1 1 60 60 ARG CB C 60 31.714 31.714 31.019 0.695 18261 7777 1 11 . 1 1 60 60 ARG H H 60 8.108 8.108 7.974 0.134 18261 7778 1 11 . 1 1 61 61 THR N N 61 115.924 115.924 115.838 0.086 18261 7779 1 11 . 1 1 61 61 THR HA H 61 4.785 4.785 4.364 0.421 18261 7780 1 11 . 1 1 61 61 THR C C 61 173.654 173.654 174.126 -0.472 18261 7781 1 11 . 1 1 61 61 THR CA C 61 63.140 63.140 60.689 2.451 18261 7782 1 11 . 1 1 61 61 THR CB C 61 68.602 68.602 67.947 0.655 18261 7783 1 11 . 1 1 61 61 THR H H 61 7.970 7.970 8.020 -0.050 18261 7784 1 11 . 1 1 62 62 SER N N 62 119.666 119.666 121.467 -1.801 18261 7785 1 11 . 1 1 62 62 SER HA H 62 4.902 4.902 4.731 0.171 18261 7786 1 11 . 1 1 62 62 SER C C 62 173.207 173.207 174.687 -1.480 18261 7787 1 11 . 1 1 62 62 SER CA C 62 56.193 56.193 57.383 -1.190 18261 7788 1 11 . 1 1 62 62 SER CB C 62 63.781 63.781 62.775 1.006 18261 7789 1 11 . 1 1 62 62 SER H H 62 7.788 7.788 7.600 0.188 18261 7790 1 11 . 1 1 63 63 PRO HA H 63 4.313 4.313 4.232 0.081 18261 7791 1 11 . 1 1 63 63 PRO CA C 63 65.746 65.746 65.900 -0.154 18261 7792 1 11 . 1 1 63 63 PRO CB C 63 32.147 32.147 31.873 0.274 18261 7793 1 11 . 1 1 64 64 ASN HA H 64 4.550 4.550 4.506 0.044 18261 7794 1 11 . 1 1 64 64 ASN CA C 64 56.202 56.202 56.752 -0.550 18261 7795 1 11 . 1 1 64 64 ASN CB C 64 38.000 38.000 37.923 0.077 18261 7796 1 11 . 1 1 65 65 LYS N N 65 120.530 120.530 120.435 0.095 18261 7797 1 11 . 1 1 65 65 LYS HA H 65 4.197 4.197 4.074 0.123 18261 7798 1 11 . 1 1 65 65 LYS C C 65 178.999 178.999 178.514 0.485 18261 7799 1 11 . 1 1 65 65 LYS CA C 65 58.250 58.250 58.739 -0.489 18261 7800 1 11 . 1 1 65 65 LYS CB C 65 32.498 32.498 31.925 0.573 18261 7801 1 11 . 1 1 65 65 LYS H H 65 7.770 7.770 8.232 -0.462 18261 7802 1 11 . 1 1 66 66 LEU N N 66 118.804 118.804 119.556 -0.752 18261 7803 1 11 . 1 1 66 66 LEU HA H 66 4.070 4.070 4.171 -0.101 18261 7804 1 11 . 1 1 66 66 LEU C C 66 178.928 178.928 179.422 -0.494 18261 7805 1 11 . 1 1 66 66 LEU CA C 66 57.928 57.928 56.772 1.156 18261 7806 1 11 . 1 1 66 66 LEU CB C 66 41.329 41.329 40.319 1.010 18261 7807 1 11 . 1 1 66 66 LEU H H 66 7.932 7.932 7.595 0.337 18261 7808 1 11 . 1 1 67 67 GLN N N 67 119.307 119.307 119.671 -0.364 18261 7809 1 11 . 1 1 67 67 GLN HA H 67 4.224 4.224 3.911 0.313 18261 7810 1 11 . 1 1 67 67 GLN C C 67 178.789 178.789 178.321 0.468 18261 7811 1 11 . 1 1 67 67 GLN CA C 67 58.862 58.862 59.324 -0.462 18261 7812 1 11 . 1 1 67 67 GLN CB C 67 28.052 28.052 28.782 -0.730 18261 7813 1 11 . 1 1 67 67 GLN H H 67 8.160 8.160 8.339 -0.179 18261 7814 1 11 . 1 1 68 68 ALA N N 68 122.124 122.124 121.388 0.736 18261 7815 1 11 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.158 0.032 18261 7816 1 11 . 1 1 68 68 ALA C C 68 180.320 180.320 179.535 0.785 18261 7817 1 11 . 1 1 68 68 ALA CA C 68 55.282 55.282 54.848 0.434 18261 7818 1 11 . 1 1 68 68 ALA CB C 68 18.251 18.251 18.776 -0.525 18261 7819 1 11 . 1 1 68 68 ALA H H 68 7.844 7.844 7.594 0.250 18261 7820 1 11 . 1 1 69 69 LEU N N 69 119.481 119.481 115.916 3.565 18261 7821 1 11 . 1 1 69 69 LEU HA H 69 3.912 3.912 3.970 -0.058 18261 7822 1 11 . 1 1 69 69 LEU C C 69 178.864 178.864 178.402 0.462 18261 7823 1 11 . 1 1 69 69 LEU CA C 69 57.904 57.904 57.202 0.702 18261 7824 1 11 . 1 1 69 69 LEU CB C 69 41.052 41.052 40.565 0.487 18261 7825 1 11 . 1 1 69 69 LEU H H 69 7.819 7.819 8.285 -0.466 18261 7826 1 11 . 1 1 70 70 ASN N N 70 119.633 119.633 118.624 1.009 18261 7827 1 11 . 1 1 70 70 ASN HA H 70 4.553 4.553 4.477 0.076 18261 7828 1 11 . 1 1 70 70 ASN C C 70 177.483 177.483 177.062 0.421 18261 7829 1 11 . 1 1 70 70 ASN CA C 70 57.125 57.125 56.583 0.542 18261 7830 1 11 . 1 1 70 70 ASN CB C 70 38.392 38.392 38.423 -0.031 18261 7831 1 11 . 1 1 70 70 ASN H H 70 8.265 8.265 8.145 0.120 18261 7832 1 11 . 1 1 71 71 MET N N 71 118.024 118.024 119.539 -1.515 18261 7833 1 11 . 1 1 71 71 MET HA H 71 4.201 4.201 4.349 -0.148 18261 7834 1 11 . 1 1 71 71 MET C C 71 178.279 178.279 178.598 -0.319 18261 7835 1 11 . 1 1 71 71 MET CA C 71 59.445 59.445 59.478 -0.033 18261 7836 1 11 . 1 1 71 71 MET CB C 71 32.313 32.313 32.680 -0.367 18261 7837 1 11 . 1 1 71 71 MET H H 71 8.098 8.098 7.654 0.444 18261 7838 1 11 . 1 1 72 72 ARG N N 72 121.985 121.985 118.717 3.268 18261 7839 1 11 . 1 1 72 72 ARG HA H 72 3.981 3.981 4.218 -0.237 18261 7840 1 11 . 1 1 72 72 ARG C C 72 179.059 179.059 179.212 -0.153 18261 7841 1 11 . 1 1 72 72 ARG CA C 72 59.058 59.058 57.584 1.474 18261 7842 1 11 . 1 1 72 72 ARG CB C 72 30.120 30.120 29.358 0.762 18261 7843 1 11 . 1 1 72 72 ARG H H 72 8.292 8.292 7.522 0.770 18261 7844 1 11 . 1 1 73 73 PHE N N 73 122.085 122.085 121.709 0.376 18261 7845 1 11 . 1 1 73 73 PHE HA H 73 4.529 4.529 4.191 0.338 18261 7846 1 11 . 1 1 73 73 PHE C C 73 177.258 177.258 177.541 -0.283 18261 7847 1 11 . 1 1 73 73 PHE CA C 73 59.248 59.248 60.626 -1.378 18261 7848 1 11 . 1 1 73 73 PHE CB C 73 39.527 39.527 38.745 0.782 18261 7849 1 11 . 1 1 73 73 PHE H H 73 8.703 8.703 8.715 -0.012 18261 7850 1 11 . 1 1 74 74 ALA N N 74 119.273 119.273 121.379 -2.106 18261 7851 1 11 . 1 1 74 74 ALA HA H 74 3.764 3.764 3.741 0.023 18261 7852 1 11 . 1 1 74 74 ALA C C 74 179.374 179.374 179.343 0.031 18261 7853 1 11 . 1 1 74 74 ALA CA C 74 55.324 55.324 55.190 0.134 18261 7854 1 11 . 1 1 74 74 ALA CB C 74 20.509 20.509 18.469 2.040 18261 7855 1 11 . 1 1 74 74 ALA H H 74 8.598 8.598 8.157 0.441 18261 7856 1 11 . 1 1 75 75 SER N N 75 113.611 113.611 112.433 1.178 18261 7857 1 11 . 1 1 75 75 SER HA H 75 3.636 3.636 4.306 -0.670 18261 7858 1 11 . 1 1 75 75 SER CA C 75 61.936 61.936 61.242 0.694 18261 7859 1 11 . 1 1 75 75 SER CB C 75 61.869 61.869 62.898 -1.029 18261 7860 1 11 . 1 1 75 75 SER H H 75 8.780 8.780 8.167 0.613 18261 7861 1 11 . 1 1 76 76 SER N N 76 119.013 119.013 119.445 -0.432 18261 7862 1 11 . 1 1 76 76 SER HA H 76 4.310 4.310 4.193 0.117 18261 7863 1 11 . 1 1 76 76 SER CA C 76 62.536 62.536 61.412 1.124 18261 7864 1 11 . 1 1 76 76 SER CB C 76 62.943 62.943 62.815 0.129 18261 7865 1 11 . 1 1 76 76 SER H H 76 8.210 8.210 7.846 0.364 18261 7866 1 11 . 1 1 77 77 MET N N 77 120.105 120.105 121.480 -1.375 18261 7867 1 11 . 1 1 77 77 MET HA H 77 4.027 4.027 4.207 -0.180 18261 7868 1 11 . 1 1 77 77 MET C C 77 178.354 178.354 177.799 0.555 18261 7869 1 11 . 1 1 77 77 MET CA C 77 59.954 59.954 57.996 1.958 18261 7870 1 11 . 1 1 77 77 MET CB C 77 34.616 34.616 31.968 2.648 18261 7871 1 11 . 1 1 77 77 MET H H 77 8.005 8.005 7.453 0.552 18261 7872 1 11 . 1 1 78 78 ALA N N 78 121.530 121.530 123.460 -1.930 18261 7873 1 11 . 1 1 78 78 ALA HA H 78 3.933 3.933 4.055 -0.122 18261 7874 1 11 . 1 1 78 78 ALA C C 78 178.354 178.354 179.664 -1.310 18261 7875 1 11 . 1 1 78 78 ALA CA C 78 55.427 55.427 55.583 -0.156 18261 7876 1 11 . 1 1 78 78 ALA CB C 78 20.344 20.344 17.987 2.357 18261 7877 1 11 . 1 1 78 78 ALA H H 78 8.550 8.550 7.684 0.866 18261 7878 1 11 . 1 1 79 79 GLU N N 79 117.137 117.137 116.372 0.765 18261 7879 1 11 . 1 1 79 79 GLU HA H 79 3.919 3.919 4.120 -0.201 18261 7880 1 11 . 1 1 79 79 GLU C C 79 178.894 178.894 177.940 0.954 18261 7881 1 11 . 1 1 79 79 GLU CA C 79 59.445 59.445 58.825 0.620 18261 7882 1 11 . 1 1 79 79 GLU CB C 79 29.895 29.895 29.506 0.389 18261 7883 1 11 . 1 1 79 79 GLU H H 79 7.737 7.737 8.047 -0.310 18261 7884 1 11 . 1 1 80 80 ILE N N 80 118.063 118.063 117.848 0.215 18261 7885 1 11 . 1 1 80 80 ILE HA H 80 3.932 3.932 4.192 -0.260 18261 7886 1 11 . 1 1 80 80 ILE C C 80 179.014 179.014 177.924 1.090 18261 7887 1 11 . 1 1 80 80 ILE CA C 80 63.727 63.727 63.014 0.713 18261 7888 1 11 . 1 1 80 80 ILE CB C 80 38.208 38.208 39.000 -0.792 18261 7889 1 11 . 1 1 80 80 ILE H H 80 7.239 7.239 7.224 0.015 18261 7890 1 11 . 1 1 81 81 ALA N N 81 121.494 121.494 122.927 -1.433 18261 7891 1 11 . 1 1 81 81 ALA HA H 81 3.961 3.961 4.252 -0.291 18261 7892 1 11 . 1 1 81 81 ALA C C 81 177.258 177.258 178.323 -1.065 18261 7893 1 11 . 1 1 81 81 ALA CA C 81 54.668 54.668 54.373 0.295 18261 7894 1 11 . 1 1 81 81 ALA CB C 81 17.887 17.887 18.595 -0.708 18261 7895 1 11 . 1 1 81 81 ALA H H 81 8.495 8.495 8.906 -0.411 18261 7896 1 11 . 1 1 82 82 ALA N N 82 116.416 116.416 117.957 -1.541 18261 7897 1 11 . 1 1 82 82 ALA HA H 82 4.316 4.316 4.240 0.076 18261 7898 1 11 . 1 1 82 82 ALA C C 82 177.693 177.693 177.015 0.678 18261 7899 1 11 . 1 1 82 82 ALA CA C 82 52.630 52.630 52.411 0.219 18261 7900 1 11 . 1 1 82 82 ALA CB C 82 19.224 19.224 18.937 0.287 18261 7901 1 11 . 1 1 82 82 ALA H H 82 8.034 8.034 7.856 0.178 18261 7902 1 11 . 1 1 83 83 SER N N 83 112.672 112.672 115.157 -2.485 18261 7903 1 11 . 1 1 83 83 SER HA H 83 4.299 4.299 4.612 -0.313 18261 7904 1 11 . 1 1 83 83 SER C C 83 174.856 174.856 173.371 1.485 18261 7905 1 11 . 1 1 83 83 SER CA C 83 59.329 59.329 57.011 2.318 18261 7906 1 11 . 1 1 83 83 SER CB C 83 63.943 63.943 62.900 1.043 18261 7907 1 11 . 1 1 83 83 SER H H 83 7.437 7.437 7.715 -0.278 18261 7908 1 11 . 1 1 84 84 GLU N N 84 122.890 122.890 128.712 -5.822 18261 7909 1 11 . 1 1 84 84 GLU HA H 84 4.420 4.420 4.411 0.009 18261 7910 1 11 . 1 1 84 84 GLU C C 84 176.597 176.597 176.824 -0.227 18261 7911 1 11 . 1 1 84 84 GLU CA C 84 56.586 56.586 56.271 0.315 18261 7912 1 11 . 1 1 84 84 GLU CB C 84 30.648 30.648 29.078 1.570 18261 7913 1 11 . 1 1 84 84 GLU H H 84 8.245 8.245 8.817 -0.572 18261 7914 1 11 . 1 1 85 85 GLU N N 85 122.062 122.062 124.820 -2.758 18261 7915 1 11 . 1 1 85 85 GLU HA H 85 4.285 4.285 4.295 -0.010 18261 7916 1 11 . 1 1 85 85 GLU C C 85 177.258 177.258 176.769 0.489 18261 7917 1 11 . 1 1 85 85 GLU CA C 85 57.128 57.128 57.427 -0.299 18261 7918 1 11 . 1 1 85 85 GLU CB C 85 30.121 30.121 29.836 0.285 18261 7919 1 11 . 1 1 85 85 GLU H H 85 8.477 8.477 8.333 0.144 18261 7920 1 11 . 1 1 86 86 GLY N N 86 110.431 110.431 108.749 1.682 18261 7921 1 11 . 1 1 86 86 GLY C C 86 174.856 174.856 174.466 0.390 18261 7922 1 11 . 1 1 86 86 GLY CA C 86 45.654 45.654 44.871 0.783 18261 7923 1 11 . 1 1 86 86 GLY H H 86 8.563 8.563 8.201 0.362 18261 7924 1 11 . 1 1 87 87 GLY N N 87 108.508 108.508 108.292 0.216 18261 7925 1 11 . 1 1 87 87 GLY C C 87 174.436 174.436 173.284 1.152 18261 7926 1 11 . 1 1 87 87 GLY CA C 87 45.396 45.396 44.673 0.723 18261 7927 1 11 . 1 1 87 87 GLY H H 87 8.274 8.274 7.642 0.632 18261 7928 1 11 . 1 1 88 88 GLY N N 88 107.821 107.821 107.438 0.383 18261 7929 1 11 . 1 1 88 88 GLY C C 88 173.325 173.325 172.990 0.335 18261 7930 1 11 . 1 1 88 88 GLY CA C 88 44.814 44.814 45.037 -0.223 18261 7931 1 11 . 1 1 88 88 GLY H H 88 8.105 8.105 8.136 -0.031 18261 7932 1 11 . 1 1 89 89 SER N N 89 115.747 115.747 113.688 2.059 18261 7933 1 11 . 1 1 89 89 SER HA H 89 4.582 4.582 4.452 0.130 18261 7934 1 11 . 1 1 89 89 SER C C 89 175.066 175.066 173.885 1.181 18261 7935 1 11 . 1 1 89 89 SER CA C 89 57.256 57.256 57.969 -0.713 18261 7936 1 11 . 1 1 89 89 SER CB C 89 65.130 65.130 64.014 1.116 18261 7937 1 11 . 1 1 89 89 SER H H 89 8.476 8.476 7.824 0.652 18261 7938 1 11 . 1 1 90 90 LEU N N 90 124.735 124.735 125.297 -0.562 18261 7939 1 11 . 1 1 90 90 LEU HA H 90 4.106 4.106 4.199 -0.093 18261 7940 1 11 . 1 1 90 90 LEU C C 90 179.434 179.434 177.781 1.653 18261 7941 1 11 . 1 1 90 90 LEU CA C 90 58.434 58.434 57.375 1.059 18261 7942 1 11 . 1 1 90 90 LEU CB C 90 41.377 41.377 42.324 -0.947 18261 7943 1 11 . 1 1 90 90 LEU H H 90 8.860 8.860 8.704 0.156 18261 7944 1 11 . 1 1 91 91 SER N N 91 113.851 113.851 113.785 0.066 18261 7945 1 11 . 1 1 91 91 SER C C 91 177.325 177.325 176.258 1.067 18261 7946 1 11 . 1 1 91 91 SER CA C 91 61.261 61.261 61.067 0.194 18261 7947 1 11 . 1 1 91 91 SER CB C 91 62.010 62.010 62.775 -0.765 18261 7948 1 11 . 1 1 91 91 SER H H 91 8.537 8.537 7.634 0.903 18261 7949 1 11 . 1 1 92 92 THR N N 92 120.889 120.889 117.614 3.275 18261 7950 1 11 . 1 1 92 92 THR HA H 92 3.993 3.993 4.030 -0.037 18261 7951 1 11 . 1 1 92 92 THR C C 92 176.162 176.162 176.423 -0.261 18261 7952 1 11 . 1 1 92 92 THR CA C 92 66.467 66.467 66.409 0.058 18261 7953 1 11 . 1 1 92 92 THR CB C 92 68.285 68.285 68.476 -0.191 18261 7954 1 11 . 1 1 92 92 THR H H 92 7.795 7.795 8.194 -0.399 18261 7955 1 11 . 1 1 93 93 LYS N N 93 120.210 120.210 119.982 0.228 18261 7956 1 11 . 1 1 93 93 LYS HA H 93 3.798 3.798 4.259 -0.461 18261 7957 1 11 . 1 1 93 93 LYS CA C 93 61.044 61.044 58.802 2.242 18261 7958 1 11 . 1 1 93 93 LYS CB C 93 33.470 33.470 32.121 1.349 18261 7959 1 11 . 1 1 93 93 LYS H H 93 8.098 8.098 7.461 0.637 18261 7960 1 11 . 1 1 94 94 THR N N 94 111.485 111.485 114.093 -2.608 18261 7961 1 11 . 1 1 94 94 THR HA H 94 3.936 3.936 4.187 -0.251 18261 7962 1 11 . 1 1 94 94 THR C C 94 177.033 177.033 176.892 0.141 18261 7963 1 11 . 1 1 94 94 THR CA C 94 66.974 66.974 66.204 0.770 18261 7964 1 11 . 1 1 94 94 THR CB C 94 68.013 68.013 68.294 -0.281 18261 7965 1 11 . 1 1 94 94 THR H H 94 8.891 8.891 8.204 0.687 18261 7966 1 11 . 1 1 95 95 SER N N 95 118.938 118.938 118.253 0.685 18261 7967 1 11 . 1 1 95 95 SER HA H 95 4.394 4.394 4.303 0.091 18261 7968 1 11 . 1 1 95 95 SER C C 95 177.828 177.828 176.737 1.091 18261 7969 1 11 . 1 1 95 95 SER CA C 95 61.990 61.990 61.850 0.140 18261 7970 1 11 . 1 1 95 95 SER CB C 95 62.580 62.580 62.525 0.055 18261 7971 1 11 . 1 1 95 95 SER H H 95 8.118 8.118 7.714 0.404 18261 7972 1 11 . 1 1 96 96 SER N N 96 121.520 121.520 119.362 2.158 18261 7973 1 11 . 1 1 96 96 SER HA H 96 4.457 4.457 4.203 0.254 18261 7974 1 11 . 1 1 96 96 SER CA C 96 62.695 62.695 61.946 0.749 18261 7975 1 11 . 1 1 96 96 SER CB C 96 62.796 62.796 63.216 -0.420 18261 7976 1 11 . 1 1 96 96 SER H H 96 8.603 8.603 7.687 0.916 18261 7977 1 11 . 1 1 97 97 ILE N N 97 122.420 122.420 122.073 0.347 18261 7978 1 11 . 1 1 97 97 ILE HA H 97 3.792 3.792 3.769 0.023 18261 7979 1 11 . 1 1 97 97 ILE C C 97 177.693 177.693 177.886 -0.193 18261 7980 1 11 . 1 1 97 97 ILE CA C 97 66.722 66.722 65.549 1.173 18261 7981 1 11 . 1 1 97 97 ILE CB C 97 38.645 38.645 37.879 0.766 18261 7982 1 11 . 1 1 97 97 ILE H H 97 8.516 8.516 7.968 0.548 18261 7983 1 11 . 1 1 98 98 ALA N N 98 122.031 122.031 122.011 0.020 18261 7984 1 11 . 1 1 98 98 ALA HA H 98 4.063 4.063 4.204 -0.141 18261 7985 1 11 . 1 1 98 98 ALA C C 98 180.740 180.740 179.786 0.954 18261 7986 1 11 . 1 1 98 98 ALA CA C 98 56.158 56.158 54.930 1.228 18261 7987 1 11 . 1 1 98 98 ALA CB C 98 18.347 18.347 18.178 0.169 18261 7988 1 11 . 1 1 98 98 ALA H H 98 8.437 8.437 7.870 0.567 18261 7989 1 11 . 1 1 99 99 SER N N 99 115.676 115.676 114.618 1.058 18261 7990 1 11 . 1 1 99 99 SER HA H 99 4.369 4.369 4.235 0.134 18261 7991 1 11 . 1 1 99 99 SER C C 99 177.168 177.168 176.604 0.564 18261 7992 1 11 . 1 1 99 99 SER CA C 99 61.959 61.959 61.285 0.674 18261 7993 1 11 . 1 1 99 99 SER CB C 99 63.160 63.160 62.945 0.215 18261 7994 1 11 . 1 1 99 99 SER H H 99 8.611 8.611 8.315 0.296 18261 7995 1 11 . 1 1 100 100 ALA N N 100 124.275 124.275 124.203 0.072 18261 7996 1 11 . 1 1 100 100 ALA HA H 100 4.243 4.243 4.029 0.214 18261 7997 1 11 . 1 1 100 100 ALA C C 100 181.851 181.851 179.599 2.252 18261 7998 1 11 . 1 1 100 100 ALA CA C 100 55.321 55.321 54.917 0.404 18261 7999 1 11 . 1 1 100 100 ALA CB C 100 18.479 18.479 18.272 0.207 18261 8000 1 11 . 1 1 100 100 ALA H H 100 8.973 8.973 7.883 1.090 18261 8001 1 11 . 1 1 101 101 MET N N 101 118.986 118.986 118.794 0.192 18261 8002 1 11 . 1 1 101 101 MET HA H 101 4.063 4.063 4.011 0.052 18261 8003 1 11 . 1 1 101 101 MET C C 101 177.483 177.483 178.728 -1.245 18261 8004 1 11 . 1 1 101 101 MET CA C 101 60.999 60.999 60.080 0.919 18261 8005 1 11 . 1 1 101 101 MET CB C 101 34.583 34.583 32.985 1.598 18261 8006 1 11 . 1 1 101 101 MET H H 101 9.072 9.072 8.744 0.328 18261 8007 1 11 . 1 1 102 102 SER N N 102 116.650 116.650 115.053 1.597 18261 8008 1 11 . 1 1 102 102 SER HA H 102 4.370 4.370 4.421 -0.051 18261 8009 1 11 . 1 1 102 102 SER C C 102 176.357 176.357 176.760 -0.403 18261 8010 1 11 . 1 1 102 102 SER CA C 102 63.278 63.278 62.238 1.040 18261 8011 1 11 . 1 1 102 102 SER CB C 102 62.523 62.523 63.328 -0.805 18261 8012 1 11 . 1 1 102 102 SER H H 102 8.673 8.673 8.610 0.063 18261 8013 1 11 . 1 1 103 103 ASN N N 103 118.060 118.060 119.905 -1.845 18261 8014 1 11 . 1 1 103 103 ASN HA H 103 4.477 4.477 4.504 -0.027 18261 8015 1 11 . 1 1 103 103 ASN C C 103 176.603 176.603 177.271 -0.668 18261 8016 1 11 . 1 1 103 103 ASN CA C 103 56.564 56.564 56.057 0.507 18261 8017 1 11 . 1 1 103 103 ASN CB C 103 38.362 38.362 38.567 -0.205 18261 8018 1 11 . 1 1 103 103 ASN H H 103 8.098 8.098 8.309 -0.211 18261 8019 1 11 . 1 1 104 104 ALA N N 104 122.235 122.235 122.439 -0.204 18261 8020 1 11 . 1 1 104 104 ALA HA H 104 4.255 4.255 3.928 0.327 18261 8021 1 11 . 1 1 104 104 ALA C C 104 181.701 181.701 179.594 2.107 18261 8022 1 11 . 1 1 104 104 ALA CA C 104 54.815 54.815 54.871 -0.056 18261 8023 1 11 . 1 1 104 104 ALA CB C 104 18.177 18.177 17.880 0.297 18261 8024 1 11 . 1 1 104 104 ALA H H 104 7.919 7.919 7.949 -0.030 18261 8025 1 11 . 1 1 105 105 PHE N N 105 119.159 119.159 118.994 0.165 18261 8026 1 11 . 1 1 105 105 PHE HA H 105 4.401 4.401 4.468 -0.067 18261 8027 1 11 . 1 1 105 105 PHE C C 105 179.224 179.224 178.443 0.781 18261 8028 1 11 . 1 1 105 105 PHE CA C 105 63.744 63.744 61.700 2.044 18261 8029 1 11 . 1 1 105 105 PHE CB C 105 39.417 39.417 38.745 0.673 18261 8030 1 11 . 1 1 105 105 PHE H H 105 8.615 8.615 8.172 0.443 18261 8031 1 11 . 1 1 106 106 LEU N N 106 121.765 121.765 118.611 3.154 18261 8032 1 11 . 1 1 106 106 LEU HA H 106 3.741 3.741 4.047 -0.306 18261 8033 1 11 . 1 1 106 106 LEU C C 106 179.074 179.074 179.716 -0.642 18261 8034 1 11 . 1 1 106 106 LEU CA C 106 59.086 59.086 57.853 1.232 18261 8035 1 11 . 1 1 106 106 LEU CB C 106 41.265 41.265 41.450 -0.185 18261 8036 1 11 . 1 1 106 106 LEU H H 106 8.259 8.259 8.009 0.250 18261 8037 1 11 . 1 1 107 107 GLN N N 107 114.755 114.755 117.422 -2.667 18261 8038 1 11 . 1 1 107 107 GLN HA H 107 4.189 4.189 4.213 -0.024 18261 8039 1 11 . 1 1 107 107 GLN C C 107 176.822 176.822 177.705 -0.883 18261 8040 1 11 . 1 1 107 107 GLN CA C 107 57.461 57.461 58.152 -0.691 18261 8041 1 11 . 1 1 107 107 GLN CB C 107 29.393 29.393 28.529 0.864 18261 8042 1 11 . 1 1 107 107 GLN H H 107 8.176 8.176 8.217 -0.041 18261 8043 1 11 . 1 1 108 108 THR N N 108 108.074 108.074 111.937 -3.863 18261 8044 1 11 . 1 1 108 108 THR HA H 108 4.517 4.517 4.427 0.090 18261 8045 1 11 . 1 1 108 108 THR C C 108 175.952 175.952 176.027 -0.075 18261 8046 1 11 . 1 1 108 108 THR CA C 108 62.526 62.526 64.189 -1.663 18261 8047 1 11 . 1 1 108 108 THR CB C 108 70.320 70.320 69.194 1.126 18261 8048 1 11 . 1 1 108 108 THR H H 108 7.740 7.740 7.762 -0.022 18261 8049 1 11 . 1 1 109 109 THR N N 109 113.029 113.029 113.642 -0.613 18261 8050 1 11 . 1 1 109 109 THR HA H 109 4.620 4.620 4.477 0.143 18261 8051 1 11 . 1 1 109 109 THR C C 109 176.162 176.162 176.013 0.149 18261 8052 1 11 . 1 1 109 109 THR CA C 109 62.255 62.255 62.019 0.236 18261 8053 1 11 . 1 1 109 109 THR CB C 109 70.768 70.768 69.779 0.989 18261 8054 1 11 . 1 1 109 109 THR H H 109 8.869 8.869 7.925 0.944 18261 8055 1 11 . 1 1 110 110 GLY N N 110 109.433 109.433 110.516 -1.083 18261 8056 1 11 . 1 1 110 110 GLY C C 110 172.889 172.889 173.672 -0.783 18261 8057 1 11 . 1 1 110 110 GLY CA C 110 45.555 45.555 45.669 -0.114 18261 8058 1 11 . 1 1 110 110 GLY H H 110 8.298 8.298 8.524 -0.226 18261 8059 1 11 . 1 1 111 111 VAL N N 111 119.167 119.167 121.016 -1.849 18261 8060 1 11 . 1 1 111 111 VAL HA H 111 4.266 4.266 4.204 0.062 18261 8061 1 11 . 1 1 111 111 VAL C C 111 174.421 174.421 174.828 -0.407 18261 8062 1 11 . 1 1 111 111 VAL CA C 111 60.783 60.783 60.472 0.311 18261 8063 1 11 . 1 1 111 111 VAL CB C 111 35.394 35.394 33.950 1.444 18261 8064 1 11 . 1 1 111 111 VAL H H 111 7.786 7.786 7.611 0.175 18261 8065 1 11 . 1 1 112 112 VAL N N 112 124.920 124.920 123.104 1.816 18261 8066 1 11 . 1 1 112 112 VAL HA H 112 3.251 3.251 3.760 -0.509 18261 8067 1 11 . 1 1 112 112 VAL C C 112 174.646 174.646 174.651 -0.005 18261 8068 1 11 . 1 1 112 112 VAL CA C 112 64.409 64.409 60.436 3.973 18261 8069 1 11 . 1 1 112 112 VAL CB C 112 32.626 32.626 33.002 -0.376 18261 8070 1 11 . 1 1 112 112 VAL H H 112 8.721 8.721 8.194 0.527 18261 8071 1 11 . 1 1 113 113 ASN HA H 113 4.505 4.505 4.440 0.065 18261 8072 1 11 . 1 1 113 113 ASN CA C 113 50.080 50.080 52.732 -2.652 18261 8073 1 11 . 1 1 113 113 ASN CB C 113 36.910 36.910 38.986 -2.076 18261 8074 1 11 . 1 1 114 114 GLN N N 114 123.939 123.939 127.832 -3.893 18261 8075 1 11 . 1 1 114 114 GLN HA H 114 3.944 3.944 4.367 -0.423 18261 8076 1 11 . 1 1 114 114 GLN C C 114 174.811 174.811 174.976 -0.165 18261 8077 1 11 . 1 1 114 114 GLN CA C 114 59.348 59.348 59.254 0.094 18261 8078 1 11 . 1 1 114 114 GLN CB C 114 26.505 26.505 27.070 -0.566 18261 8079 1 11 . 1 1 114 114 GLN H H 114 8.368 8.368 8.652 -0.284 18261 8080 1 11 . 1 1 115 115 PRO HA H 115 4.243 4.243 4.065 0.178 18261 8081 1 11 . 1 1 115 115 PRO CA C 115 66.602 66.602 65.499 1.103 18261 8082 1 11 . 1 1 115 115 PRO CB C 115 31.215 31.215 31.024 0.191 18261 8083 1 11 . 1 1 116 116 PHE N N 116 117.612 117.612 115.536 2.076 18261 8084 1 11 . 1 1 116 116 PHE HA H 116 4.209 4.209 4.721 -0.512 18261 8085 1 11 . 1 1 116 116 PHE C C 116 176.597 176.597 178.195 -1.598 18261 8086 1 11 . 1 1 116 116 PHE CA C 116 61.261 61.261 60.036 1.225 18261 8087 1 11 . 1 1 116 116 PHE CB C 116 39.506 39.506 38.443 1.063 18261 8088 1 11 . 1 1 116 116 PHE H H 116 7.249 7.249 8.269 -1.020 18261 8089 1 11 . 1 1 117 117 ILE N N 117 119.233 119.233 119.603 -0.370 18261 8090 1 11 . 1 1 117 117 ILE HA H 117 3.537 3.537 3.877 -0.340 18261 8091 1 11 . 1 1 117 117 ILE C C 117 178.789 178.789 177.375 1.414 18261 8092 1 11 . 1 1 117 117 ILE CA C 117 65.677 65.677 65.282 0.395 18261 8093 1 11 . 1 1 117 117 ILE CB C 117 38.125 38.125 37.612 0.513 18261 8094 1 11 . 1 1 117 117 ILE H H 117 7.652 7.652 7.744 -0.092 18261 8095 1 11 . 1 1 118 118 ASN N N 118 119.875 119.875 116.537 3.338 18261 8096 1 11 . 1 1 118 118 ASN HA H 118 4.304 4.304 4.630 -0.326 18261 8097 1 11 . 1 1 118 118 ASN C C 118 177.033 177.033 176.804 0.229 18261 8098 1 11 . 1 1 118 118 ASN CA C 118 55.716 55.716 55.407 0.309 18261 8099 1 11 . 1 1 118 118 ASN CB C 118 37.423 37.423 37.974 -0.551 18261 8100 1 11 . 1 1 118 118 ASN H H 118 8.975 8.975 7.910 1.065 18261 8101 1 11 . 1 1 119 119 GLU N N 119 121.029 121.029 120.684 0.345 18261 8102 1 11 . 1 1 119 119 GLU HA H 119 4.026 4.026 4.356 -0.330 18261 8103 1 11 . 1 1 119 119 GLU C C 119 178.564 178.564 178.467 0.097 18261 8104 1 11 . 1 1 119 119 GLU CA C 119 59.426 59.426 58.449 0.977 18261 8105 1 11 . 1 1 119 119 GLU CB C 119 29.646 29.646 30.392 -0.746 18261 8106 1 11 . 1 1 119 119 GLU H H 119 8.120 8.120 7.668 0.452 18261 8107 1 11 . 1 1 120 120 ILE N N 120 117.654 117.654 120.670 -3.016 18261 8108 1 11 . 1 1 120 120 ILE HA H 120 3.734 3.734 3.880 -0.146 18261 8109 1 11 . 1 1 120 120 ILE C C 120 178.279 178.279 178.170 0.109 18261 8110 1 11 . 1 1 120 120 ILE CA C 120 62.756 62.756 65.688 -2.932 18261 8111 1 11 . 1 1 120 120 ILE CB C 120 35.645 35.645 37.996 -2.351 18261 8112 1 11 . 1 1 120 120 ILE H H 120 8.077 8.077 8.722 -0.645 18261 8113 1 11 . 1 1 121 121 THR N N 121 112.585 112.585 113.898 -1.313 18261 8114 1 11 . 1 1 121 121 THR HA H 121 3.753 3.753 3.935 -0.182 18261 8115 1 11 . 1 1 121 121 THR C C 121 177.258 177.258 176.760 0.498 18261 8116 1 11 . 1 1 121 121 THR CA C 121 67.090 67.090 66.575 0.515 18261 8117 1 11 . 1 1 121 121 THR CB C 121 68.254 68.254 68.334 -0.080 18261 8118 1 11 . 1 1 121 121 THR H H 121 8.640 8.640 7.744 0.896 18261 8119 1 11 . 1 1 122 122 GLN N N 122 123.063 123.063 120.783 2.280 18261 8120 1 11 . 1 1 122 122 GLN HA H 122 4.091 4.091 4.166 -0.075 18261 8121 1 11 . 1 1 122 122 GLN C C 122 179.014 179.014 178.605 0.409 18261 8122 1 11 . 1 1 122 122 GLN CA C 122 59.192 59.192 58.440 0.753 18261 8123 1 11 . 1 1 122 122 GLN CB C 122 28.020 28.020 27.953 0.067 18261 8124 1 11 . 1 1 122 122 GLN H H 122 8.111 8.111 7.830 0.281 18261 8125 1 11 . 1 1 123 123 LEU N N 123 120.494 120.494 120.935 -0.441 18261 8126 1 11 . 1 1 123 123 LEU HA H 123 3.841 3.841 3.651 0.190 18261 8127 1 11 . 1 1 123 123 LEU C C 123 178.354 178.354 178.890 -0.536 18261 8128 1 11 . 1 1 123 123 LEU CA C 123 58.005 58.005 57.821 0.184 18261 8129 1 11 . 1 1 123 123 LEU CB C 123 42.580 42.580 41.547 1.033 18261 8130 1 11 . 1 1 123 123 LEU H H 123 8.131 8.131 8.296 -0.165 18261 8131 1 11 . 1 1 124 124 VAL N N 124 118.543 118.543 120.079 -1.536 18261 8132 1 11 . 1 1 124 124 VAL HA H 124 3.560 3.560 3.853 -0.293 18261 8133 1 11 . 1 1 124 124 VAL C C 124 177.453 177.453 178.764 -1.311 18261 8134 1 11 . 1 1 124 124 VAL CA C 124 67.297 67.297 66.396 0.901 18261 8135 1 11 . 1 1 124 124 VAL CB C 124 31.526 31.526 30.672 0.853 18261 8136 1 11 . 1 1 124 124 VAL H H 124 8.732 8.732 8.706 0.026 18261 8137 1 11 . 1 1 125 125 SER N N 125 112.449 112.449 114.773 -2.324 18261 8138 1 11 . 1 1 125 125 SER HA H 125 4.044 4.044 4.099 -0.055 18261 8139 1 11 . 1 1 125 125 SER C C 125 175.937 175.937 176.842 -0.905 18261 8140 1 11 . 1 1 125 125 SER CA C 125 62.356 62.356 61.694 0.662 18261 8141 1 11 . 1 1 125 125 SER CB C 125 62.890 62.890 63.062 -0.173 18261 8142 1 11 . 1 1 125 125 SER H H 125 7.863 7.863 7.822 0.041 18261 8143 1 11 . 1 1 126 126 MET N N 126 120.797 120.797 121.212 -0.415 18261 8144 1 11 . 1 1 126 126 MET HA H 126 4.051 4.051 4.048 0.003 18261 8145 1 11 . 1 1 126 126 MET C C 126 179.254 179.254 178.430 0.824 18261 8146 1 11 . 1 1 126 126 MET CA C 126 58.939 58.939 58.877 0.062 18261 8147 1 11 . 1 1 126 126 MET CB C 126 32.625 32.625 32.581 0.043 18261 8148 1 11 . 1 1 126 126 MET H H 126 8.033 8.033 7.913 0.120 18261 8149 1 11 . 1 1 127 127 PHE N N 127 118.244 118.244 117.288 0.956 18261 8150 1 11 . 1 1 127 127 PHE HA H 127 4.398 4.398 4.264 0.134 18261 8151 1 11 . 1 1 127 127 PHE C C 127 178.128 178.128 178.373 -0.245 18261 8152 1 11 . 1 1 127 127 PHE CA C 127 59.991 59.991 59.654 0.337 18261 8153 1 11 . 1 1 127 127 PHE CB C 127 38.584 38.584 38.004 0.580 18261 8154 1 11 . 1 1 127 127 PHE H H 127 8.753 8.753 8.378 0.375 18261 8155 1 11 . 1 1 128 128 ALA N N 128 120.518 120.518 122.481 -1.963 18261 8156 1 11 . 1 1 128 128 ALA HA H 128 4.152 4.152 4.046 0.106 18261 8157 1 11 . 1 1 128 128 ALA C C 128 178.789 178.789 179.731 -0.942 18261 8158 1 11 . 1 1 128 128 ALA CA C 128 54.570 54.570 54.986 -0.416 18261 8159 1 11 . 1 1 128 128 ALA CB C 128 19.373 19.373 18.222 1.151 18261 8160 1 11 . 1 1 128 128 ALA H H 128 8.681 8.681 8.498 0.183 18261 8161 1 11 . 1 1 129 129 GLN N N 129 115.315 115.315 117.786 -2.471 18261 8162 1 11 . 1 1 129 129 GLN HA H 129 4.197 4.197 4.121 0.076 18261 8163 1 11 . 1 1 129 129 GLN C C 129 177.258 177.258 178.039 -0.781 18261 8164 1 11 . 1 1 129 129 GLN CA C 129 57.519 57.519 58.255 -0.736 18261 8165 1 11 . 1 1 129 129 GLN CB C 129 29.271 29.271 28.685 0.586 18261 8166 1 11 . 1 1 129 129 GLN H H 129 7.835 7.835 7.982 -0.147 18261 8167 1 11 . 1 1 130 130 ALA N N 130 121.556 121.556 120.527 1.029 18261 8168 1 11 . 1 1 130 130 ALA HA H 130 4.285 4.285 4.364 -0.079 18261 8169 1 11 . 1 1 130 130 ALA C C 130 178.564 178.564 177.860 0.704 18261 8170 1 11 . 1 1 130 130 ALA CA C 130 53.823 53.823 52.867 0.956 18261 8171 1 11 . 1 1 130 130 ALA CB C 130 19.058 19.058 19.012 0.046 18261 8172 1 11 . 1 1 130 130 ALA H H 130 7.758 7.758 7.492 0.266 18261 8173 1 11 . 1 1 131 131 GLY N N 131 105.780 105.780 105.199 0.581 18261 8174 1 11 . 1 1 131 131 GLY C C 131 173.970 173.970 174.448 -0.478 18261 8175 1 11 . 1 1 131 131 GLY CA C 131 45.702 45.702 44.878 0.824 18261 8176 1 11 . 1 1 131 131 GLY H H 131 8.222 8.222 7.708 0.514 18261 8177 1 11 . 1 1 132 132 MET N N 132 118.358 118.358 119.573 -1.215 18261 8178 1 11 . 1 1 132 132 MET HA H 132 4.540 4.540 4.369 0.171 18261 8179 1 11 . 1 1 132 132 MET C C 132 175.952 175.952 176.254 -0.302 18261 8180 1 11 . 1 1 132 132 MET CA C 132 55.611 55.611 57.357 -1.746 18261 8181 1 11 . 1 1 132 132 MET CB C 132 33.473 33.473 33.816 -0.343 18261 8182 1 11 . 1 1 132 132 MET H H 132 7.763 7.763 7.418 0.345 18261 8183 1 11 . 1 1 133 133 ASN N N 133 119.002 119.002 117.419 1.583 18261 8184 1 11 . 1 1 133 133 ASN HA H 133 4.725 4.725 4.817 -0.092 18261 8185 1 11 . 1 1 133 133 ASN C C 133 174.646 174.646 174.142 0.504 18261 8186 1 11 . 1 1 133 133 ASN CA C 133 53.512 53.512 53.475 0.037 18261 8187 1 11 . 1 1 133 133 ASN CB C 133 39.301 39.301 39.568 -0.267 18261 8188 1 11 . 1 1 133 133 ASN H H 133 8.289 8.289 8.232 0.057 18261 8189 1 11 . 1 1 134 134 ASP N N 134 120.907 120.907 124.343 -3.436 18261 8190 1 11 . 1 1 134 134 ASP HA H 134 4.659 4.659 4.500 0.159 18261 8191 1 11 . 1 1 134 134 ASP C C 134 176.162 176.162 174.688 1.474 18261 8192 1 11 . 1 1 134 134 ASP CA C 134 54.379 54.379 54.982 -0.603 18261 8193 1 11 . 1 1 134 134 ASP CB C 134 41.291 41.291 41.194 0.097 18261 8194 1 11 . 1 1 134 134 ASP H H 134 8.364 8.364 8.568 -0.204 18261 8195 1 11 . 1 1 135 135 VAL N N 135 119.971 119.971 120.601 -0.630 18261 8196 1 11 . 1 1 135 135 VAL HA H 135 4.214 4.214 4.196 0.018 18261 8197 1 11 . 1 1 135 135 VAL C C 135 176.162 176.162 175.377 0.785 18261 8198 1 11 . 1 1 135 135 VAL CA C 135 62.157 62.157 62.573 -0.416 18261 8199 1 11 . 1 1 135 135 VAL CB C 135 32.644 32.644 32.014 0.630 18261 8200 1 11 . 1 1 135 135 VAL H H 135 8.118 8.118 8.112 0.006 18261 8201 1 11 . 1 1 136 136 SER N N 136 119.918 119.918 116.092 3.826 18261 8202 1 11 . 1 1 136 136 SER HA H 136 4.462 4.462 4.092 0.370 18261 8203 1 11 . 1 1 136 136 SER C C 136 173.325 173.325 174.547 -1.222 18261 8204 1 11 . 1 1 136 136 SER CA C 136 58.342 58.342 58.590 -0.248 18261 8205 1 11 . 1 1 136 136 SER CB C 136 64.041 64.041 62.616 1.425 18261 8206 1 11 . 1 1 136 136 SER H H 136 8.410 8.410 8.506 -0.096 18261 8207 1 12 . 1 1 3 3 GLY CA C 3 45.200 45.200 44.851 0.349 18261 8208 1 12 . 1 1 4 4 ASN N N 4 124.083 124.083 117.275 6.808 18261 8209 1 12 . 1 1 4 4 ASN HA H 4 4.530 4.530 4.666 -0.136 18261 8210 1 12 . 1 1 4 4 ASN C C 4 179.449 179.449 175.942 3.507 18261 8211 1 12 . 1 1 4 4 ASN CA C 4 54.803 54.803 53.305 1.498 18261 8212 1 12 . 1 1 4 4 ASN CB C 4 41.106 41.106 38.934 2.172 18261 8213 1 12 . 1 1 4 4 ASN H H 4 7.981 7.981 8.224 -0.243 18261 8214 1 12 . 1 1 6 6 HIS HA H 6 4.693 4.693 4.440 0.253 18261 8215 1 12 . 1 1 6 6 HIS CA C 6 56.115 56.115 56.557 -0.442 18261 8216 1 12 . 1 1 6 6 HIS CB C 6 31.011 31.011 29.423 1.588 18261 8217 1 12 . 1 1 7 7 THR N N 7 115.238 115.238 120.501 -5.263 18261 8218 1 12 . 1 1 7 7 THR HA H 7 4.318 4.318 4.331 -0.013 18261 8219 1 12 . 1 1 7 7 THR C C 7 173.970 173.970 173.090 0.880 18261 8220 1 12 . 1 1 7 7 THR CA C 7 62.099 62.099 61.417 0.682 18261 8221 1 12 . 1 1 7 7 THR CB C 7 69.779 69.779 69.449 0.330 18261 8222 1 12 . 1 1 7 7 THR H H 7 8.120 8.120 8.083 0.037 18261 8223 1 12 . 1 1 8 8 THR N N 8 115.713 115.713 118.946 -3.233 18261 8224 1 12 . 1 1 8 8 THR HA H 8 4.146 4.146 4.015 0.131 18261 8225 1 12 . 1 1 8 8 THR C C 8 172.664 172.664 172.836 -0.172 18261 8226 1 12 . 1 1 8 8 THR CA C 8 58.349 58.349 59.187 -0.838 18261 8227 1 12 . 1 1 8 8 THR CB C 8 69.219 69.219 70.177 -0.958 18261 8228 1 12 . 1 1 8 8 THR H H 8 7.977 7.977 7.800 0.177 18261 8229 1 12 . 1 1 9 9 PRO HA H 9 3.939 3.939 4.047 -0.108 18261 8230 1 12 . 1 1 9 9 PRO CA C 9 62.965 62.965 64.161 -1.196 18261 8231 1 12 . 1 1 9 9 PRO CB C 9 30.610 30.610 30.488 0.122 18261 8232 1 12 . 1 1 10 10 TRP N N 10 111.487 111.487 113.497 -2.010 18261 8233 1 12 . 1 1 10 10 TRP HA H 10 4.899 4.899 4.619 0.280 18261 8234 1 12 . 1 1 10 10 TRP C C 10 175.817 175.817 176.897 -1.080 18261 8235 1 12 . 1 1 10 10 TRP CA C 10 54.292 54.292 55.621 -1.329 18261 8236 1 12 . 1 1 10 10 TRP CB C 10 31.219 31.219 29.226 1.994 18261 8237 1 12 . 1 1 10 10 TRP H H 10 6.681 6.681 6.957 -0.276 18261 8238 1 12 . 1 1 11 11 THR N N 11 106.120 106.120 114.640 -8.520 18261 8239 1 12 . 1 1 11 11 THR HA H 11 3.905 3.905 4.093 -0.188 18261 8240 1 12 . 1 1 11 11 THR C C 11 173.970 173.970 173.988 -0.018 18261 8241 1 12 . 1 1 11 11 THR CA C 11 63.937 63.937 64.796 -0.859 18261 8242 1 12 . 1 1 11 11 THR CB C 11 69.242 69.242 69.158 0.084 18261 8243 1 12 . 1 1 11 11 THR H H 11 7.189 7.189 7.810 -0.621 18261 8244 1 12 . 1 1 12 12 ASN N N 12 116.403 116.403 116.212 0.191 18261 8245 1 12 . 1 1 12 12 ASN HA H 12 5.115 5.115 5.057 0.058 18261 8246 1 12 . 1 1 12 12 ASN C C 12 172.889 172.889 173.478 -0.589 18261 8247 1 12 . 1 1 12 12 ASN CA C 12 51.276 51.276 50.628 0.648 18261 8248 1 12 . 1 1 12 12 ASN CB C 12 40.474 40.474 40.562 -0.088 18261 8249 1 12 . 1 1 12 12 ASN H H 12 7.282 7.282 7.405 -0.123 18261 8250 1 12 . 1 1 13 13 PRO HA H 13 4.210 4.210 4.417 -0.207 18261 8251 1 12 . 1 1 13 13 PRO CA C 13 65.516 65.516 65.546 -0.030 18261 8252 1 12 . 1 1 13 13 PRO CB C 13 32.418 32.418 32.105 0.312 18261 8253 1 12 . 1 1 14 14 GLY N N 14 108.796 108.796 106.826 1.970 18261 8254 1 12 . 1 1 14 14 GLY C C 14 175.952 175.952 176.136 -0.184 18261 8255 1 12 . 1 1 14 14 GLY CA C 14 47.073 47.073 47.071 0.002 18261 8256 1 12 . 1 1 14 14 GLY H H 14 8.363 8.363 8.745 -0.382 18261 8257 1 12 . 1 1 15 15 LEU N N 15 124.473 124.473 123.053 1.420 18261 8258 1 12 . 1 1 15 15 LEU HA H 15 4.335 4.335 4.297 0.038 18261 8259 1 12 . 1 1 15 15 LEU C C 15 178.564 178.564 178.331 0.233 18261 8260 1 12 . 1 1 15 15 LEU CA C 15 57.402 57.402 56.725 0.677 18261 8261 1 12 . 1 1 15 15 LEU CB C 15 41.600 41.600 41.709 -0.109 18261 8262 1 12 . 1 1 15 15 LEU H H 15 7.890 7.890 7.200 0.690 18261 8263 1 12 . 1 1 16 16 ALA N N 16 121.371 121.371 121.979 -0.608 18261 8264 1 12 . 1 1 16 16 ALA HA H 16 4.000 4.000 4.116 -0.116 18261 8265 1 12 . 1 1 16 16 ALA C C 16 179.104 179.104 179.678 -0.574 18261 8266 1 12 . 1 1 16 16 ALA CA C 16 56.360 56.360 55.531 0.829 18261 8267 1 12 . 1 1 16 16 ALA CB C 16 19.351 19.351 18.201 1.150 18261 8268 1 12 . 1 1 16 16 ALA H H 16 8.429 8.429 8.676 -0.247 18261 8269 1 12 . 1 1 17 17 GLU N N 17 117.199 117.199 119.975 -2.776 18261 8270 1 12 . 1 1 17 17 GLU HA H 17 3.964 3.964 3.977 -0.013 18261 8271 1 12 . 1 1 17 17 GLU C C 17 177.993 177.993 178.976 -0.983 18261 8272 1 12 . 1 1 17 17 GLU CA C 17 59.543 59.543 59.587 -0.045 18261 8273 1 12 . 1 1 17 17 GLU CB C 17 29.932 29.932 29.422 0.509 18261 8274 1 12 . 1 1 17 17 GLU H H 17 8.030 8.030 8.530 -0.500 18261 8275 1 12 . 1 1 18 18 ASN N N 18 118.433 118.433 117.990 0.443 18261 8276 1 12 . 1 1 18 18 ASN HA H 18 4.546 4.546 4.501 0.045 18261 8277 1 12 . 1 1 18 18 ASN C C 18 178.347 178.347 177.853 0.494 18261 8278 1 12 . 1 1 18 18 ASN CA C 18 56.226 56.226 56.346 -0.120 18261 8279 1 12 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.705 -0.581 18261 8280 1 12 . 1 1 18 18 ASN H H 18 8.075 8.075 7.651 0.424 18261 8281 1 12 . 1 1 19 19 PHE N N 19 122.078 122.078 123.702 -1.624 18261 8282 1 12 . 1 1 19 19 PHE HA H 19 3.881 3.881 4.290 -0.409 18261 8283 1 12 . 1 1 19 19 PHE C C 19 176.837 176.837 177.437 -0.600 18261 8284 1 12 . 1 1 19 19 PHE CA C 19 62.230 62.230 61.857 0.373 18261 8285 1 12 . 1 1 19 19 PHE CB C 19 39.450 39.450 39.266 0.184 18261 8286 1 12 . 1 1 19 19 PHE H H 19 9.623 9.623 8.836 0.787 18261 8287 1 12 . 1 1 20 20 MET N N 20 118.264 118.264 117.291 0.973 18261 8288 1 12 . 1 1 20 20 MET HA H 20 4.424 4.424 4.161 0.263 18261 8289 1 12 . 1 1 20 20 MET C C 20 178.924 178.924 178.921 0.003 18261 8290 1 12 . 1 1 20 20 MET CA C 20 57.480 57.480 57.562 -0.082 18261 8291 1 12 . 1 1 20 20 MET CB C 20 31.929 31.929 31.178 0.751 18261 8292 1 12 . 1 1 20 20 MET H H 20 8.865 8.865 8.784 0.081 18261 8293 1 12 . 1 1 21 21 ASN N N 21 118.455 118.455 119.598 -1.143 18261 8294 1 12 . 1 1 21 21 ASN HA H 21 4.542 4.542 4.454 0.088 18261 8295 1 12 . 1 1 21 21 ASN C C 21 178.249 178.249 177.797 0.452 18261 8296 1 12 . 1 1 21 21 ASN CA C 21 56.305 56.305 57.132 -0.827 18261 8297 1 12 . 1 1 21 21 ASN CB C 21 37.916 37.916 38.499 -0.583 18261 8298 1 12 . 1 1 21 21 ASN H H 21 8.453 8.453 8.034 0.419 18261 8299 1 12 . 1 1 22 22 SER N N 22 116.036 116.036 116.503 -0.467 18261 8300 1 12 . 1 1 22 22 SER HA H 22 4.196 4.196 4.508 -0.312 18261 8301 1 12 . 1 1 22 22 SER C C 22 178.143 178.143 176.606 1.537 18261 8302 1 12 . 1 1 22 22 SER CA C 22 62.256 62.256 61.386 0.870 18261 8303 1 12 . 1 1 22 22 SER CB C 22 62.870 62.870 62.857 0.013 18261 8304 1 12 . 1 1 22 22 SER H H 22 7.959 7.959 8.380 -0.421 18261 8305 1 12 . 1 1 23 23 PHE N N 23 124.987 124.987 124.912 0.075 18261 8306 1 12 . 1 1 23 23 PHE HA H 23 4.005 4.005 4.071 -0.065 18261 8307 1 12 . 1 1 23 23 PHE C C 23 175.652 175.652 176.938 -1.286 18261 8308 1 12 . 1 1 23 23 PHE CA C 23 60.525 60.525 61.212 -0.688 18261 8309 1 12 . 1 1 23 23 PHE CB C 23 38.899 38.899 38.846 0.052 18261 8310 1 12 . 1 1 23 23 PHE H H 23 9.045 9.045 8.399 0.646 18261 8311 1 12 . 1 1 24 24 MET N N 24 117.260 117.260 117.168 0.092 18261 8312 1 12 . 1 1 24 24 MET HA H 24 4.040 4.040 3.690 0.350 18261 8313 1 12 . 1 1 24 24 MET C C 24 179.797 179.797 178.573 1.224 18261 8314 1 12 . 1 1 24 24 MET CA C 24 56.047 56.047 57.967 -1.919 18261 8315 1 12 . 1 1 24 24 MET CB C 24 30.308 30.308 31.434 -1.126 18261 8316 1 12 . 1 1 24 24 MET H H 24 8.302 8.302 8.228 0.074 18261 8317 1 12 . 1 1 25 25 GLN N N 25 120.167 120.167 119.116 1.051 18261 8318 1 12 . 1 1 25 25 GLN HA H 25 3.985 3.985 3.998 -0.013 18261 8319 1 12 . 1 1 25 25 GLN C C 25 179.870 179.870 179.286 0.584 18261 8320 1 12 . 1 1 25 25 GLN CA C 25 59.136 59.136 58.837 0.300 18261 8321 1 12 . 1 1 25 25 GLN CB C 25 28.234 28.234 28.555 -0.321 18261 8322 1 12 . 1 1 25 25 GLN H H 25 8.038 8.038 8.249 -0.211 18261 8323 1 12 . 1 1 26 26 GLY N N 26 107.636 107.636 107.354 0.282 18261 8324 1 12 . 1 1 26 26 GLY C C 26 176.387 176.387 176.427 -0.040 18261 8325 1 12 . 1 1 26 26 GLY CA C 26 46.911 46.911 46.218 0.693 18261 8326 1 12 . 1 1 26 26 GLY H H 26 8.095 8.095 8.081 0.014 18261 8327 1 12 . 1 1 27 27 LEU N N 27 122.877 122.877 123.921 -1.044 18261 8328 1 12 . 1 1 27 27 LEU HA H 27 3.783 3.783 4.068 -0.285 18261 8329 1 12 . 1 1 27 27 LEU C C 27 178.564 178.564 178.770 -0.206 18261 8330 1 12 . 1 1 27 27 LEU CA C 27 57.262 57.262 56.886 0.376 18261 8331 1 12 . 1 1 27 27 LEU CB C 27 42.076 42.076 41.009 1.067 18261 8332 1 12 . 1 1 27 27 LEU H H 27 8.369 8.369 8.167 0.202 18261 8333 1 12 . 1 1 28 28 SER N N 28 109.474 109.474 114.416 -4.942 18261 8334 1 12 . 1 1 28 28 SER HA H 28 4.138 4.138 4.353 -0.215 18261 8335 1 12 . 1 1 28 28 SER C C 28 174.421 174.421 175.381 -0.960 18261 8336 1 12 . 1 1 28 28 SER CA C 28 61.153 61.153 60.350 0.803 18261 8337 1 12 . 1 1 28 28 SER CB C 28 63.320 63.320 62.673 0.647 18261 8338 1 12 . 1 1 28 28 SER H H 28 7.527 7.527 8.431 -0.904 18261 8339 1 12 . 1 1 29 29 SER N N 29 114.550 114.550 115.046 -0.496 18261 8340 1 12 . 1 1 29 29 SER HA H 29 4.734 4.734 4.608 0.126 18261 8341 1 12 . 1 1 29 29 SER C C 29 173.970 173.970 173.380 0.590 18261 8342 1 12 . 1 1 29 29 SER CA C 29 57.927 57.927 57.629 0.298 18261 8343 1 12 . 1 1 29 29 SER CB C 29 64.500 64.500 63.811 0.689 18261 8344 1 12 . 1 1 29 29 SER H H 29 7.449 7.449 7.653 -0.204 18261 8345 1 12 . 1 1 30 30 MET N N 30 122.420 122.420 122.894 -0.474 18261 8346 1 12 . 1 1 30 30 MET HA H 30 4.952 4.952 4.893 0.059 18261 8347 1 12 . 1 1 30 30 MET C C 30 174.195 174.195 174.142 0.053 18261 8348 1 12 . 1 1 30 30 MET CA C 30 53.638 53.638 51.319 2.319 18261 8349 1 12 . 1 1 30 30 MET CB C 30 32.305 32.305 31.748 0.557 18261 8350 1 12 . 1 1 30 30 MET H H 30 7.674 7.674 7.558 0.116 18261 8351 1 12 . 1 1 31 31 PRO HA H 31 4.669 4.669 4.591 0.078 18261 8352 1 12 . 1 1 31 31 PRO CA C 31 62.880 62.880 63.052 -0.172 18261 8353 1 12 . 1 1 31 31 PRO CB C 31 32.742 32.742 32.360 0.382 18261 8354 1 12 . 1 1 32 32 GLY N N 32 106.222 106.222 110.788 -4.566 18261 8355 1 12 . 1 1 32 32 GLY C C 32 172.454 172.454 173.815 -1.361 18261 8356 1 12 . 1 1 32 32 GLY CA C 32 45.608 45.608 45.018 0.590 18261 8357 1 12 . 1 1 32 32 GLY H H 32 8.415 8.415 8.014 0.401 18261 8358 1 12 . 1 1 33 33 PHE N N 33 116.404 116.404 119.481 -3.077 18261 8359 1 12 . 1 1 33 33 PHE HA H 33 5.167 5.167 4.999 0.168 18261 8360 1 12 . 1 1 33 33 PHE C C 33 176.387 176.387 174.622 1.765 18261 8361 1 12 . 1 1 33 33 PHE CA C 33 56.750 56.750 56.944 -0.194 18261 8362 1 12 . 1 1 33 33 PHE CB C 33 42.080 42.080 41.612 0.468 18261 8363 1 12 . 1 1 33 33 PHE H H 33 7.871 7.871 7.458 0.413 18261 8364 1 12 . 1 1 34 34 THR N N 34 113.684 113.684 111.780 1.904 18261 8365 1 12 . 1 1 34 34 THR HA H 34 4.545 4.545 4.610 -0.065 18261 8366 1 12 . 1 1 34 34 THR C C 34 175.066 175.066 174.694 0.372 18261 8367 1 12 . 1 1 34 34 THR CA C 34 60.339 60.339 59.186 1.153 18261 8368 1 12 . 1 1 34 34 THR CB C 34 70.381 70.381 71.138 -0.757 18261 8369 1 12 . 1 1 34 34 THR H H 34 8.899 8.899 8.001 0.898 18261 8370 1 12 . 1 1 35 35 ALA N N 35 122.927 122.927 125.122 -2.195 18261 8371 1 12 . 1 1 35 35 ALA HA H 35 4.092 4.092 4.141 -0.049 18261 8372 1 12 . 1 1 35 35 ALA C C 35 180.755 180.755 179.531 1.224 18261 8373 1 12 . 1 1 35 35 ALA CA C 35 55.827 55.827 55.645 0.182 18261 8374 1 12 . 1 1 35 35 ALA CB C 35 18.098 18.098 18.648 -0.550 18261 8375 1 12 . 1 1 35 35 ALA H H 35 8.864 8.864 8.742 0.122 18261 8376 1 12 . 1 1 36 36 SER N N 36 112.708 112.708 113.024 -0.316 18261 8377 1 12 . 1 1 36 36 SER HA H 36 4.276 4.276 4.166 0.110 18261 8378 1 12 . 1 1 36 36 SER C C 36 177.033 177.033 176.707 0.326 18261 8379 1 12 . 1 1 36 36 SER CA C 36 61.403 61.403 61.294 0.110 18261 8380 1 12 . 1 1 36 36 SER CB C 36 62.371 62.371 62.881 -0.510 18261 8381 1 12 . 1 1 36 36 SER H H 36 8.389 8.389 8.305 0.084 18261 8382 1 12 . 1 1 37 37 GLN N N 37 121.595 121.595 120.562 1.033 18261 8383 1 12 . 1 1 37 37 GLN HA H 37 4.272 4.272 4.215 0.057 18261 8384 1 12 . 1 1 37 37 GLN C C 37 179.149 179.149 178.597 0.552 18261 8385 1 12 . 1 1 37 37 GLN CA C 37 58.638 58.638 58.530 0.108 18261 8386 1 12 . 1 1 37 37 GLN CB C 37 29.123 29.123 28.576 0.547 18261 8387 1 12 . 1 1 37 37 GLN H H 37 7.621 7.621 7.588 0.033 18261 8388 1 12 . 1 1 38 38 LEU N N 38 119.852 119.852 121.229 -1.377 18261 8389 1 12 . 1 1 38 38 LEU HA H 38 3.838 3.838 3.842 -0.004 18261 8390 1 12 . 1 1 38 38 LEU C C 38 179.675 179.675 178.607 1.068 18261 8391 1 12 . 1 1 38 38 LEU CA C 38 57.929 57.929 57.844 0.085 18261 8392 1 12 . 1 1 38 38 LEU CB C 38 40.918 40.918 41.426 -0.508 18261 8393 1 12 . 1 1 38 38 LEU H H 38 8.341 8.341 8.575 -0.234 18261 8394 1 12 . 1 1 39 39 ASP N N 39 122.065 122.065 119.939 2.126 18261 8395 1 12 . 1 1 39 39 ASP HA H 39 4.439 4.439 4.254 0.185 18261 8396 1 12 . 1 1 39 39 ASP C C 39 179.224 179.224 178.432 0.792 18261 8397 1 12 . 1 1 39 39 ASP CA C 39 57.710 57.710 58.276 -0.566 18261 8398 1 12 . 1 1 39 39 ASP CB C 39 40.245 40.245 40.755 -0.510 18261 8399 1 12 . 1 1 39 39 ASP H H 39 7.955 7.955 8.473 -0.518 18261 8400 1 12 . 1 1 40 40 ASP N N 40 121.957 121.957 119.868 2.089 18261 8401 1 12 . 1 1 40 40 ASP HA H 40 4.483 4.483 4.412 0.071 18261 8402 1 12 . 1 1 40 40 ASP C C 40 179.600 179.600 178.358 1.242 18261 8403 1 12 . 1 1 40 40 ASP CA C 40 57.745 57.745 57.935 -0.190 18261 8404 1 12 . 1 1 40 40 ASP CB C 40 40.190 40.190 40.988 -0.798 18261 8405 1 12 . 1 1 40 40 ASP H H 40 8.022 8.022 7.591 0.431 18261 8406 1 12 . 1 1 41 41 MET N N 41 121.160 121.160 119.736 1.424 18261 8407 1 12 . 1 1 41 41 MET HA H 41 4.204 4.204 4.089 0.115 18261 8408 1 12 . 1 1 41 41 MET C C 41 177.693 177.693 178.001 -0.308 18261 8409 1 12 . 1 1 41 41 MET CA C 41 57.634 57.634 59.116 -1.482 18261 8410 1 12 . 1 1 41 41 MET CB C 41 31.422 31.422 32.745 -1.323 18261 8411 1 12 . 1 1 41 41 MET H H 41 8.668 8.668 7.698 0.970 18261 8412 1 12 . 1 1 42 42 SER N N 42 116.421 116.421 114.821 1.600 18261 8413 1 12 . 1 1 42 42 SER HA H 42 4.304 4.304 4.168 0.136 18261 8414 1 12 . 1 1 42 42 SER C C 42 177.483 177.483 176.781 0.702 18261 8415 1 12 . 1 1 42 42 SER CA C 42 62.075 62.075 62.072 0.003 18261 8416 1 12 . 1 1 42 42 SER CB C 42 62.765 62.765 63.165 -0.400 18261 8417 1 12 . 1 1 42 42 SER H H 42 8.375 8.375 8.605 -0.230 18261 8418 1 12 . 1 1 43 43 THR N N 43 118.797 118.797 119.077 -0.280 18261 8419 1 12 . 1 1 43 43 THR HA H 43 4.042 4.042 4.020 0.022 18261 8420 1 12 . 1 1 43 43 THR C C 43 177.258 177.258 176.879 0.379 18261 8421 1 12 . 1 1 43 43 THR CA C 43 66.584 66.584 66.633 -0.049 18261 8422 1 12 . 1 1 43 43 THR CB C 43 68.490 68.490 68.805 -0.315 18261 8423 1 12 . 1 1 43 43 THR H H 43 7.928 7.928 7.742 0.186 18261 8424 1 12 . 1 1 44 44 ILE N N 44 122.960 122.960 121.577 1.383 18261 8425 1 12 . 1 1 44 44 ILE HA H 44 3.930 3.930 3.870 0.060 18261 8426 1 12 . 1 1 44 44 ILE C C 44 178.564 178.564 178.559 0.005 18261 8427 1 12 . 1 1 44 44 ILE CA C 44 64.483 64.483 62.515 1.968 18261 8428 1 12 . 1 1 44 44 ILE CB C 44 38.015 38.015 36.294 1.721 18261 8429 1 12 . 1 1 44 44 ILE H H 44 7.863 7.863 8.363 -0.500 18261 8430 1 12 . 1 1 45 45 ALA N N 45 124.792 124.792 123.370 1.422 18261 8431 1 12 . 1 1 45 45 ALA HA H 45 4.122 4.122 3.980 0.142 18261 8432 1 12 . 1 1 45 45 ALA C C 45 179.404 179.404 179.669 -0.265 18261 8433 1 12 . 1 1 45 45 ALA CA C 45 56.009 56.009 55.281 0.728 18261 8434 1 12 . 1 1 45 45 ALA CB C 45 18.908 18.908 18.322 0.586 18261 8435 1 12 . 1 1 45 45 ALA H H 45 8.853 8.853 8.370 0.483 18261 8436 1 12 . 1 1 46 46 GLN N N 46 116.307 116.307 116.764 -0.457 18261 8437 1 12 . 1 1 46 46 GLN HA H 46 4.068 4.068 4.066 0.002 18261 8438 1 12 . 1 1 46 46 GLN C C 46 179.014 179.014 178.513 0.501 18261 8439 1 12 . 1 1 46 46 GLN CA C 46 58.903 58.903 58.392 0.511 18261 8440 1 12 . 1 1 46 46 GLN CB C 46 28.250 28.250 27.838 0.412 18261 8441 1 12 . 1 1 46 46 GLN H H 46 8.238 8.238 8.059 0.179 18261 8442 1 12 . 1 1 47 47 SER N N 47 115.959 115.959 115.886 0.073 18261 8443 1 12 . 1 1 47 47 SER HA H 47 4.261 4.261 4.219 0.042 18261 8444 1 12 . 1 1 47 47 SER C C 47 177.483 177.483 176.357 1.126 18261 8445 1 12 . 1 1 47 47 SER CA C 47 61.526 61.526 61.359 0.167 18261 8446 1 12 . 1 1 47 47 SER CB C 47 62.842 62.842 62.144 0.698 18261 8447 1 12 . 1 1 47 47 SER H H 47 8.223 8.223 7.661 0.562 18261 8448 1 12 . 1 1 48 48 MET N N 48 121.963 121.963 121.675 0.288 18261 8449 1 12 . 1 1 48 48 MET HA H 48 4.110 4.110 4.131 -0.021 18261 8450 1 12 . 1 1 48 48 MET C C 48 177.798 177.798 178.330 -0.532 18261 8451 1 12 . 1 1 48 48 MET CA C 48 57.531 57.531 59.151 -1.620 18261 8452 1 12 . 1 1 48 48 MET CB C 48 31.169 31.169 32.463 -1.294 18261 8453 1 12 . 1 1 48 48 MET H H 48 8.245 8.245 7.448 0.797 18261 8454 1 12 . 1 1 49 49 VAL N N 49 119.045 119.045 119.959 -0.914 18261 8455 1 12 . 1 1 49 49 VAL HA H 49 3.300 3.300 3.617 -0.317 18261 8456 1 12 . 1 1 49 49 VAL C C 49 177.910 177.910 178.656 -0.746 18261 8457 1 12 . 1 1 49 49 VAL CA C 49 67.811 67.811 66.554 1.257 18261 8458 1 12 . 1 1 49 49 VAL CB C 49 31.370 31.370 30.672 0.698 18261 8459 1 12 . 1 1 49 49 VAL H H 49 7.809 7.809 7.922 -0.113 18261 8460 1 12 . 1 1 50 50 GLN N N 50 118.357 118.357 117.332 1.025 18261 8461 1 12 . 1 1 50 50 GLN HA H 50 4.091 4.091 4.023 0.068 18261 8462 1 12 . 1 1 50 50 GLN C C 50 179.449 179.449 178.669 0.780 18261 8463 1 12 . 1 1 50 50 GLN CA C 50 59.056 59.056 58.243 0.813 18261 8464 1 12 . 1 1 50 50 GLN CB C 50 28.020 28.020 28.050 -0.030 18261 8465 1 12 . 1 1 50 50 GLN H H 50 8.225 8.225 8.356 -0.131 18261 8466 1 12 . 1 1 51 51 SER N N 51 117.253 117.253 115.693 1.560 18261 8467 1 12 . 1 1 51 51 SER HA H 51 4.235 4.235 4.249 -0.014 18261 8468 1 12 . 1 1 51 51 SER C C 51 176.374 176.374 176.316 0.058 18261 8469 1 12 . 1 1 51 51 SER CA C 51 62.752 62.752 62.011 0.741 18261 8470 1 12 . 1 1 51 51 SER CB C 51 62.963 62.963 63.000 -0.037 18261 8471 1 12 . 1 1 51 51 SER H H 51 8.328 8.328 7.353 0.975 18261 8472 1 12 . 1 1 52 52 ILE N N 52 123.114 123.114 122.517 0.597 18261 8473 1 12 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.640 -0.041 18261 8474 1 12 . 1 1 52 52 ILE C C 52 178.684 178.684 177.359 1.325 18261 8475 1 12 . 1 1 52 52 ILE CA C 52 64.736 64.736 64.934 -0.198 18261 8476 1 12 . 1 1 52 52 ILE CB C 52 37.838 37.838 37.288 0.550 18261 8477 1 12 . 1 1 52 52 ILE H H 52 8.147 8.147 7.935 0.212 18261 8478 1 12 . 1 1 53 53 GLN N N 53 120.011 120.011 119.145 0.866 18261 8479 1 12 . 1 1 53 53 GLN HA H 53 3.946 3.946 3.937 0.009 18261 8480 1 12 . 1 1 53 53 GLN C C 53 179.014 179.014 178.604 0.410 18261 8481 1 12 . 1 1 53 53 GLN CA C 53 59.501 59.501 59.163 0.338 18261 8482 1 12 . 1 1 53 53 GLN CB C 53 27.901 27.901 28.080 -0.179 18261 8483 1 12 . 1 1 53 53 GLN H H 53 8.583 8.583 8.367 0.216 18261 8484 1 12 . 1 1 54 54 SER N N 54 115.479 115.479 115.778 -0.299 18261 8485 1 12 . 1 1 54 54 SER HA H 54 4.302 4.302 4.280 0.022 18261 8486 1 12 . 1 1 54 54 SER C C 54 176.822 176.822 176.561 0.261 18261 8487 1 12 . 1 1 54 54 SER CA C 54 61.492 61.492 61.283 0.208 18261 8488 1 12 . 1 1 54 54 SER CB C 54 62.880 62.880 62.317 0.563 18261 8489 1 12 . 1 1 54 54 SER H H 54 8.271 8.271 7.469 0.802 18261 8490 1 12 . 1 1 55 55 LEU N N 55 121.519 121.519 122.180 -0.661 18261 8491 1 12 . 1 1 55 55 LEU HA H 55 4.068 4.068 3.970 0.098 18261 8492 1 12 . 1 1 55 55 LEU C C 55 179.434 179.434 178.636 0.798 18261 8493 1 12 . 1 1 55 55 LEU CA C 55 57.793 57.793 58.273 -0.480 18261 8494 1 12 . 1 1 55 55 LEU CB C 55 42.245 42.245 41.409 0.836 18261 8495 1 12 . 1 1 55 55 LEU H H 55 7.974 7.974 7.638 0.336 18261 8496 1 12 . 1 1 56 56 ALA N N 56 121.040 121.040 120.547 0.493 18261 8497 1 12 . 1 1 56 56 ALA HA H 56 4.228 4.228 4.225 0.003 18261 8498 1 12 . 1 1 56 56 ALA C C 56 180.530 180.530 178.840 1.690 18261 8499 1 12 . 1 1 56 56 ALA CA C 56 54.331 54.331 54.407 -0.076 18261 8500 1 12 . 1 1 56 56 ALA CB C 56 18.075 18.075 18.611 -0.536 18261 8501 1 12 . 1 1 56 56 ALA H H 56 8.032 8.032 8.078 -0.046 18261 8502 1 12 . 1 1 57 57 ALA N N 57 121.325 121.325 120.167 1.158 18261 8503 1 12 . 1 1 57 57 ALA HA H 57 4.219 4.219 4.213 0.006 18261 8504 1 12 . 1 1 57 57 ALA C C 57 179.344 179.344 179.317 0.027 18261 8505 1 12 . 1 1 57 57 ALA CA C 57 54.446 54.446 54.082 0.364 18261 8506 1 12 . 1 1 57 57 ALA CB C 57 18.470 18.470 18.796 -0.326 18261 8507 1 12 . 1 1 57 57 ALA H H 57 8.030 8.030 7.407 0.623 18261 8508 1 12 . 1 1 58 58 GLN N N 58 114.257 114.257 116.404 -2.147 18261 8509 1 12 . 1 1 58 58 GLN HA H 58 4.356 4.356 4.305 0.051 18261 8510 1 12 . 1 1 58 58 GLN C C 58 176.612 176.612 176.608 0.004 18261 8511 1 12 . 1 1 58 58 GLN CA C 58 55.957 55.957 55.931 0.027 18261 8512 1 12 . 1 1 58 58 GLN CB C 58 29.767 29.767 29.472 0.295 18261 8513 1 12 . 1 1 58 58 GLN H H 58 7.751 7.751 8.349 -0.598 18261 8514 1 12 . 1 1 59 59 GLY N N 59 108.304 108.304 107.744 0.560 18261 8515 1 12 . 1 1 59 59 GLY C C 59 174.856 174.856 174.422 0.434 18261 8516 1 12 . 1 1 59 59 GLY CA C 59 46.197 46.197 45.855 0.342 18261 8517 1 12 . 1 1 59 59 GLY H H 59 7.910 7.910 7.775 0.135 18261 8518 1 12 . 1 1 60 60 ARG N N 60 118.258 118.258 117.877 0.381 18261 8519 1 12 . 1 1 60 60 ARG HA H 60 4.553 4.553 4.562 -0.009 18261 8520 1 12 . 1 1 60 60 ARG C C 60 175.847 175.847 176.080 -0.233 18261 8521 1 12 . 1 1 60 60 ARG CA C 60 55.658 55.658 54.455 1.203 18261 8522 1 12 . 1 1 60 60 ARG CB C 60 31.714 31.714 31.207 0.506 18261 8523 1 12 . 1 1 60 60 ARG H H 60 8.108 8.108 8.468 -0.360 18261 8524 1 12 . 1 1 61 61 THR N N 61 115.924 115.924 118.881 -2.957 18261 8525 1 12 . 1 1 61 61 THR HA H 61 4.785 4.785 4.267 0.518 18261 8526 1 12 . 1 1 61 61 THR C C 61 173.654 173.654 173.905 -0.251 18261 8527 1 12 . 1 1 61 61 THR CA C 61 63.140 63.140 62.287 0.853 18261 8528 1 12 . 1 1 61 61 THR CB C 61 68.602 68.602 66.941 1.661 18261 8529 1 12 . 1 1 61 61 THR H H 61 7.970 7.970 8.218 -0.248 18261 8530 1 12 . 1 1 62 62 SER N N 62 119.666 119.666 118.532 1.134 18261 8531 1 12 . 1 1 62 62 SER HA H 62 4.902 4.902 4.798 0.104 18261 8532 1 12 . 1 1 62 62 SER C C 62 173.207 173.207 174.301 -1.094 18261 8533 1 12 . 1 1 62 62 SER CA C 62 56.193 56.193 55.184 1.010 18261 8534 1 12 . 1 1 62 62 SER CB C 62 63.781 63.781 64.949 -1.168 18261 8535 1 12 . 1 1 62 62 SER H H 62 7.788 7.788 8.121 -0.333 18261 8536 1 12 . 1 1 63 63 PRO HA H 63 4.313 4.313 4.220 0.093 18261 8537 1 12 . 1 1 63 63 PRO CA C 63 65.746 65.746 65.266 0.480 18261 8538 1 12 . 1 1 63 63 PRO CB C 63 32.147 32.147 31.702 0.445 18261 8539 1 12 . 1 1 64 64 ASN HA H 64 4.550 4.550 4.503 0.047 18261 8540 1 12 . 1 1 64 64 ASN CA C 64 56.202 56.202 55.723 0.479 18261 8541 1 12 . 1 1 64 64 ASN CB C 64 38.000 38.000 38.688 -0.688 18261 8542 1 12 . 1 1 65 65 LYS N N 65 120.530 120.530 120.190 0.340 18261 8543 1 12 . 1 1 65 65 LYS HA H 65 4.197 4.197 4.197 -0.000 18261 8544 1 12 . 1 1 65 65 LYS C C 65 178.999 178.999 178.751 0.248 18261 8545 1 12 . 1 1 65 65 LYS CA C 65 58.250 58.250 58.520 -0.270 18261 8546 1 12 . 1 1 65 65 LYS CB C 65 32.498 32.498 32.421 0.077 18261 8547 1 12 . 1 1 65 65 LYS H H 65 7.770 7.770 8.137 -0.367 18261 8548 1 12 . 1 1 66 66 LEU N N 66 118.804 118.804 119.458 -0.654 18261 8549 1 12 . 1 1 66 66 LEU HA H 66 4.070 4.070 4.142 -0.072 18261 8550 1 12 . 1 1 66 66 LEU C C 66 178.928 178.928 178.851 0.077 18261 8551 1 12 . 1 1 66 66 LEU CA C 66 57.928 57.928 57.320 0.608 18261 8552 1 12 . 1 1 66 66 LEU CB C 66 41.329 41.329 41.706 -0.377 18261 8553 1 12 . 1 1 66 66 LEU H H 66 7.932 7.932 7.518 0.414 18261 8554 1 12 . 1 1 67 67 GLN N N 67 119.307 119.307 118.769 0.538 18261 8555 1 12 . 1 1 67 67 GLN HA H 67 4.224 4.224 4.163 0.061 18261 8556 1 12 . 1 1 67 67 GLN C C 67 178.789 178.789 177.943 0.846 18261 8557 1 12 . 1 1 67 67 GLN CA C 67 58.862 58.862 58.556 0.306 18261 8558 1 12 . 1 1 67 67 GLN CB C 67 28.052 28.052 27.460 0.592 18261 8559 1 12 . 1 1 67 67 GLN H H 67 8.160 8.160 8.636 -0.476 18261 8560 1 12 . 1 1 68 68 ALA N N 68 122.124 122.124 121.841 0.283 18261 8561 1 12 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.217 -0.027 18261 8562 1 12 . 1 1 68 68 ALA C C 68 180.320 180.320 179.033 1.287 18261 8563 1 12 . 1 1 68 68 ALA CA C 68 55.282 55.282 54.326 0.956 18261 8564 1 12 . 1 1 68 68 ALA CB C 68 18.251 18.251 18.576 -0.325 18261 8565 1 12 . 1 1 68 68 ALA H H 68 7.844 7.844 7.657 0.187 18261 8566 1 12 . 1 1 69 69 LEU N N 69 119.481 119.481 116.941 2.540 18261 8567 1 12 . 1 1 69 69 LEU HA H 69 3.912 3.912 3.926 -0.014 18261 8568 1 12 . 1 1 69 69 LEU C C 69 178.864 178.864 177.122 1.742 18261 8569 1 12 . 1 1 69 69 LEU CA C 69 57.904 57.904 55.947 1.958 18261 8570 1 12 . 1 1 69 69 LEU CB C 69 41.052 41.052 40.908 0.144 18261 8571 1 12 . 1 1 69 69 LEU H H 69 7.819 7.819 7.686 0.133 18261 8572 1 12 . 1 1 70 70 ASN N N 70 119.633 119.633 118.007 1.626 18261 8573 1 12 . 1 1 70 70 ASN HA H 70 4.553 4.553 4.796 -0.243 18261 8574 1 12 . 1 1 70 70 ASN C C 70 177.483 177.483 176.899 0.584 18261 8575 1 12 . 1 1 70 70 ASN CA C 70 57.125 57.125 55.840 1.285 18261 8576 1 12 . 1 1 70 70 ASN CB C 70 38.392 38.392 39.364 -0.972 18261 8577 1 12 . 1 1 70 70 ASN H H 70 8.265 8.265 7.250 1.014 18261 8578 1 12 . 1 1 71 71 MET N N 71 118.024 118.024 121.016 -2.992 18261 8579 1 12 . 1 1 71 71 MET HA H 71 4.201 4.201 4.182 0.019 18261 8580 1 12 . 1 1 71 71 MET C C 71 178.279 178.279 178.473 -0.194 18261 8581 1 12 . 1 1 71 71 MET CA C 71 59.445 59.445 60.019 -0.574 18261 8582 1 12 . 1 1 71 71 MET CB C 71 32.313 32.313 32.666 -0.353 18261 8583 1 12 . 1 1 71 71 MET H H 71 8.098 8.098 7.726 0.372 18261 8584 1 12 . 1 1 72 72 ARG N N 72 121.985 121.985 118.563 3.422 18261 8585 1 12 . 1 1 72 72 ARG HA H 72 3.981 3.981 4.101 -0.120 18261 8586 1 12 . 1 1 72 72 ARG C C 72 179.059 179.059 178.689 0.370 18261 8587 1 12 . 1 1 72 72 ARG CA C 72 59.058 59.058 58.227 0.831 18261 8588 1 12 . 1 1 72 72 ARG CB C 72 30.120 30.120 29.526 0.594 18261 8589 1 12 . 1 1 72 72 ARG H H 72 8.292 8.292 8.084 0.208 18261 8590 1 12 . 1 1 73 73 PHE N N 73 122.085 122.085 120.174 1.911 18261 8591 1 12 . 1 1 73 73 PHE HA H 73 4.529 4.529 4.119 0.410 18261 8592 1 12 . 1 1 73 73 PHE C C 73 177.258 177.258 176.766 0.492 18261 8593 1 12 . 1 1 73 73 PHE CA C 73 59.248 59.248 60.562 -1.314 18261 8594 1 12 . 1 1 73 73 PHE CB C 73 39.527 39.527 38.399 1.128 18261 8595 1 12 . 1 1 73 73 PHE H H 73 8.703 8.703 7.951 0.752 18261 8596 1 12 . 1 1 74 74 ALA N N 74 119.273 119.273 120.970 -1.697 18261 8597 1 12 . 1 1 74 74 ALA HA H 74 3.764 3.764 3.743 0.021 18261 8598 1 12 . 1 1 74 74 ALA C C 74 179.374 179.374 179.242 0.132 18261 8599 1 12 . 1 1 74 74 ALA CA C 74 55.324 55.324 55.058 0.266 18261 8600 1 12 . 1 1 74 74 ALA CB C 74 20.509 20.509 18.432 2.077 18261 8601 1 12 . 1 1 74 74 ALA H H 74 8.598 8.598 7.787 0.811 18261 8602 1 12 . 1 1 75 75 SER N N 75 113.611 113.611 113.778 -0.167 18261 8603 1 12 . 1 1 75 75 SER HA H 75 3.636 3.636 4.069 -0.433 18261 8604 1 12 . 1 1 75 75 SER CA C 75 61.936 61.936 60.829 1.107 18261 8605 1 12 . 1 1 75 75 SER CB C 75 61.869 61.869 62.664 -0.795 18261 8606 1 12 . 1 1 75 75 SER H H 75 8.780 8.780 8.061 0.719 18261 8607 1 12 . 1 1 76 76 SER N N 76 119.013 119.013 119.511 -0.498 18261 8608 1 12 . 1 1 76 76 SER HA H 76 4.310 4.310 4.463 -0.153 18261 8609 1 12 . 1 1 76 76 SER CA C 76 62.536 62.536 61.851 0.685 18261 8610 1 12 . 1 1 76 76 SER CB C 76 62.943 62.943 63.260 -0.317 18261 8611 1 12 . 1 1 76 76 SER H H 76 8.210 8.210 8.206 0.004 18261 8612 1 12 . 1 1 77 77 MET N N 77 120.105 120.105 120.413 -0.308 18261 8613 1 12 . 1 1 77 77 MET HA H 77 4.027 4.027 4.091 -0.064 18261 8614 1 12 . 1 1 77 77 MET C C 77 178.354 178.354 177.808 0.546 18261 8615 1 12 . 1 1 77 77 MET CA C 77 59.954 59.954 59.081 0.873 18261 8616 1 12 . 1 1 77 77 MET CB C 77 34.616 34.616 32.328 2.288 18261 8617 1 12 . 1 1 77 77 MET H H 77 8.005 8.005 7.573 0.432 18261 8618 1 12 . 1 1 78 78 ALA N N 78 121.530 121.530 122.616 -1.086 18261 8619 1 12 . 1 1 78 78 ALA HA H 78 3.933 3.933 4.065 -0.132 18261 8620 1 12 . 1 1 78 78 ALA C C 78 178.354 178.354 179.689 -1.335 18261 8621 1 12 . 1 1 78 78 ALA CA C 78 55.427 55.427 55.378 0.049 18261 8622 1 12 . 1 1 78 78 ALA CB C 78 20.344 20.344 17.767 2.577 18261 8623 1 12 . 1 1 78 78 ALA H H 78 8.550 8.550 8.082 0.468 18261 8624 1 12 . 1 1 79 79 GLU N N 79 117.137 117.137 118.278 -1.141 18261 8625 1 12 . 1 1 79 79 GLU HA H 79 3.919 3.919 4.055 -0.136 18261 8626 1 12 . 1 1 79 79 GLU C C 79 178.894 178.894 178.608 0.286 18261 8627 1 12 . 1 1 79 79 GLU CA C 79 59.445 59.445 59.201 0.244 18261 8628 1 12 . 1 1 79 79 GLU CB C 79 29.895 29.895 29.684 0.211 18261 8629 1 12 . 1 1 79 79 GLU H H 79 7.737 7.737 7.700 0.037 18261 8630 1 12 . 1 1 80 80 ILE N N 80 118.063 118.063 118.923 -0.860 18261 8631 1 12 . 1 1 80 80 ILE HA H 80 3.932 3.932 3.898 0.034 18261 8632 1 12 . 1 1 80 80 ILE C C 80 179.014 179.014 178.290 0.724 18261 8633 1 12 . 1 1 80 80 ILE CA C 80 63.727 63.727 64.442 -0.715 18261 8634 1 12 . 1 1 80 80 ILE CB C 80 38.208 38.208 38.265 -0.057 18261 8635 1 12 . 1 1 80 80 ILE H H 80 7.239 7.239 7.240 -0.001 18261 8636 1 12 . 1 1 81 81 ALA N N 81 121.494 121.494 123.085 -1.591 18261 8637 1 12 . 1 1 81 81 ALA HA H 81 3.961 3.961 4.296 -0.335 18261 8638 1 12 . 1 1 81 81 ALA C C 81 177.258 177.258 179.055 -1.797 18261 8639 1 12 . 1 1 81 81 ALA CA C 81 54.668 54.668 54.854 -0.186 18261 8640 1 12 . 1 1 81 81 ALA CB C 81 17.887 17.887 18.288 -0.401 18261 8641 1 12 . 1 1 81 81 ALA H H 81 8.495 8.495 8.745 -0.250 18261 8642 1 12 . 1 1 82 82 ALA N N 82 116.416 116.416 120.594 -4.178 18261 8643 1 12 . 1 1 82 82 ALA HA H 82 4.316 4.316 4.131 0.185 18261 8644 1 12 . 1 1 82 82 ALA C C 82 177.693 177.693 177.867 -0.174 18261 8645 1 12 . 1 1 82 82 ALA CA C 82 52.630 52.630 53.353 -0.723 18261 8646 1 12 . 1 1 82 82 ALA CB C 82 19.224 19.224 18.750 0.474 18261 8647 1 12 . 1 1 82 82 ALA H H 82 8.034 8.034 8.048 -0.014 18261 8648 1 12 . 1 1 83 83 SER N N 83 112.672 112.672 115.292 -2.620 18261 8649 1 12 . 1 1 83 83 SER HA H 83 4.299 4.299 4.444 -0.145 18261 8650 1 12 . 1 1 83 83 SER C C 83 174.856 174.856 175.233 -0.377 18261 8651 1 12 . 1 1 83 83 SER CA C 83 59.329 59.329 56.870 2.459 18261 8652 1 12 . 1 1 83 83 SER CB C 83 63.943 63.943 62.573 1.370 18261 8653 1 12 . 1 1 83 83 SER H H 83 7.437 7.437 7.690 -0.253 18261 8654 1 12 . 1 1 84 84 GLU N N 84 122.890 122.890 125.010 -2.120 18261 8655 1 12 . 1 1 84 84 GLU HA H 84 4.420 4.420 4.117 0.303 18261 8656 1 12 . 1 1 84 84 GLU C C 84 176.597 176.597 176.904 -0.307 18261 8657 1 12 . 1 1 84 84 GLU CA C 84 56.586 56.586 57.420 -0.834 18261 8658 1 12 . 1 1 84 84 GLU CB C 84 30.648 30.648 29.611 1.037 18261 8659 1 12 . 1 1 84 84 GLU H H 84 8.245 8.245 8.105 0.140 18261 8660 1 12 . 1 1 85 85 GLU N N 85 122.062 122.062 120.850 1.212 18261 8661 1 12 . 1 1 85 85 GLU HA H 85 4.285 4.285 4.294 -0.009 18261 8662 1 12 . 1 1 85 85 GLU C C 85 177.258 177.258 176.402 0.856 18261 8663 1 12 . 1 1 85 85 GLU CA C 85 57.128 57.128 56.715 0.412 18261 8664 1 12 . 1 1 85 85 GLU CB C 85 30.121 30.121 30.580 -0.459 18261 8665 1 12 . 1 1 85 85 GLU H H 85 8.477 8.477 7.812 0.665 18261 8666 1 12 . 1 1 86 86 GLY N N 86 110.431 110.431 111.253 -0.822 18261 8667 1 12 . 1 1 86 86 GLY C C 86 174.856 174.856 173.477 1.379 18261 8668 1 12 . 1 1 86 86 GLY CA C 86 45.654 45.654 44.901 0.753 18261 8669 1 12 . 1 1 86 86 GLY H H 86 8.563 8.563 8.505 0.058 18261 8670 1 12 . 1 1 87 87 GLY N N 87 108.508 108.508 111.299 -2.791 18261 8671 1 12 . 1 1 87 87 GLY C C 87 174.436 174.436 173.390 1.046 18261 8672 1 12 . 1 1 87 87 GLY CA C 87 45.396 45.396 44.918 0.478 18261 8673 1 12 . 1 1 87 87 GLY H H 87 8.274 8.274 8.051 0.223 18261 8674 1 12 . 1 1 88 88 GLY N N 88 107.821 107.821 106.653 1.168 18261 8675 1 12 . 1 1 88 88 GLY C C 88 173.325 173.325 173.105 0.220 18261 8676 1 12 . 1 1 88 88 GLY CA C 88 44.814 44.814 44.842 -0.028 18261 8677 1 12 . 1 1 88 88 GLY H H 88 8.105 8.105 7.430 0.675 18261 8678 1 12 . 1 1 89 89 SER N N 89 115.747 115.747 115.030 0.717 18261 8679 1 12 . 1 1 89 89 SER HA H 89 4.582 4.582 4.608 -0.026 18261 8680 1 12 . 1 1 89 89 SER C C 89 175.066 175.066 176.070 -1.004 18261 8681 1 12 . 1 1 89 89 SER CA C 89 57.256 57.256 57.077 0.179 18261 8682 1 12 . 1 1 89 89 SER CB C 89 65.130 65.130 64.302 0.828 18261 8683 1 12 . 1 1 89 89 SER H H 89 8.476 8.476 8.397 0.079 18261 8684 1 12 . 1 1 90 90 LEU N N 90 124.735 124.735 123.353 1.382 18261 8685 1 12 . 1 1 90 90 LEU HA H 90 4.106 4.106 3.975 0.131 18261 8686 1 12 . 1 1 90 90 LEU C C 90 179.434 179.434 178.174 1.260 18261 8687 1 12 . 1 1 90 90 LEU CA C 90 58.434 58.434 58.211 0.223 18261 8688 1 12 . 1 1 90 90 LEU CB C 90 41.377 41.377 41.867 -0.490 18261 8689 1 12 . 1 1 90 90 LEU H H 90 8.860 8.860 8.729 0.131 18261 8690 1 12 . 1 1 91 91 SER N N 91 113.851 113.851 110.794 3.057 18261 8691 1 12 . 1 1 91 91 SER C C 91 177.325 177.325 176.513 0.812 18261 8692 1 12 . 1 1 91 91 SER CA C 91 61.261 61.261 61.403 -0.142 18261 8693 1 12 . 1 1 91 91 SER CB C 91 62.010 62.010 62.515 -0.505 18261 8694 1 12 . 1 1 91 91 SER H H 91 8.537 8.537 8.384 0.153 18261 8695 1 12 . 1 1 92 92 THR N N 92 120.889 120.889 118.646 2.243 18261 8696 1 12 . 1 1 92 92 THR HA H 92 3.993 3.993 4.197 -0.204 18261 8697 1 12 . 1 1 92 92 THR C C 92 176.162 176.162 176.307 -0.145 18261 8698 1 12 . 1 1 92 92 THR CA C 92 66.467 66.467 65.212 1.255 18261 8699 1 12 . 1 1 92 92 THR CB C 92 68.285 68.285 68.890 -0.605 18261 8700 1 12 . 1 1 92 92 THR H H 92 7.795 7.795 7.501 0.294 18261 8701 1 12 . 1 1 93 93 LYS N N 93 120.210 120.210 122.594 -2.384 18261 8702 1 12 . 1 1 93 93 LYS HA H 93 3.798 3.798 3.815 -0.017 18261 8703 1 12 . 1 1 93 93 LYS CA C 93 61.044 61.044 59.931 1.113 18261 8704 1 12 . 1 1 93 93 LYS CB C 93 33.470 33.470 32.114 1.356 18261 8705 1 12 . 1 1 93 93 LYS H H 93 8.098 8.098 7.718 0.380 18261 8706 1 12 . 1 1 94 94 THR N N 94 111.485 111.485 113.089 -1.604 18261 8707 1 12 . 1 1 94 94 THR HA H 94 3.936 3.936 4.140 -0.204 18261 8708 1 12 . 1 1 94 94 THR C C 94 177.033 177.033 176.738 0.295 18261 8709 1 12 . 1 1 94 94 THR CA C 94 66.974 66.974 65.987 0.986 18261 8710 1 12 . 1 1 94 94 THR CB C 94 68.013 68.013 68.649 -0.636 18261 8711 1 12 . 1 1 94 94 THR H H 94 8.891 8.891 8.064 0.827 18261 8712 1 12 . 1 1 95 95 SER N N 95 118.938 118.938 116.185 2.753 18261 8713 1 12 . 1 1 95 95 SER HA H 95 4.394 4.394 4.333 0.061 18261 8714 1 12 . 1 1 95 95 SER C C 95 177.828 177.828 176.699 1.129 18261 8715 1 12 . 1 1 95 95 SER CA C 95 61.990 61.990 62.232 -0.242 18261 8716 1 12 . 1 1 95 95 SER CB C 95 62.580 62.580 62.845 -0.265 18261 8717 1 12 . 1 1 95 95 SER H H 95 8.118 8.118 8.220 -0.102 18261 8718 1 12 . 1 1 96 96 SER N N 96 121.520 121.520 119.127 2.393 18261 8719 1 12 . 1 1 96 96 SER HA H 96 4.457 4.457 4.278 0.179 18261 8720 1 12 . 1 1 96 96 SER CA C 96 62.695 62.695 61.512 1.183 18261 8721 1 12 . 1 1 96 96 SER CB C 96 62.796 62.796 63.132 -0.336 18261 8722 1 12 . 1 1 96 96 SER H H 96 8.603 8.603 7.442 1.161 18261 8723 1 12 . 1 1 97 97 ILE N N 97 122.420 122.420 122.945 -0.525 18261 8724 1 12 . 1 1 97 97 ILE HA H 97 3.792 3.792 3.761 0.031 18261 8725 1 12 . 1 1 97 97 ILE C C 97 177.693 177.693 177.881 -0.188 18261 8726 1 12 . 1 1 97 97 ILE CA C 97 66.722 66.722 65.776 0.946 18261 8727 1 12 . 1 1 97 97 ILE CB C 97 38.645 38.645 37.875 0.770 18261 8728 1 12 . 1 1 97 97 ILE H H 97 8.516 8.516 8.128 0.388 18261 8729 1 12 . 1 1 98 98 ALA N N 98 122.031 122.031 121.927 0.104 18261 8730 1 12 . 1 1 98 98 ALA HA H 98 4.063 4.063 4.154 -0.091 18261 8731 1 12 . 1 1 98 98 ALA C C 98 180.740 180.740 179.678 1.062 18261 8732 1 12 . 1 1 98 98 ALA CA C 98 56.158 56.158 55.038 1.120 18261 8733 1 12 . 1 1 98 98 ALA CB C 98 18.347 18.347 18.151 0.196 18261 8734 1 12 . 1 1 98 98 ALA H H 98 8.437 8.437 7.874 0.563 18261 8735 1 12 . 1 1 99 99 SER N N 99 115.676 115.676 114.707 0.969 18261 8736 1 12 . 1 1 99 99 SER HA H 99 4.369 4.369 4.180 0.189 18261 8737 1 12 . 1 1 99 99 SER C C 99 177.168 177.168 176.541 0.627 18261 8738 1 12 . 1 1 99 99 SER CA C 99 61.959 61.959 61.782 0.177 18261 8739 1 12 . 1 1 99 99 SER CB C 99 63.160 63.160 63.038 0.123 18261 8740 1 12 . 1 1 99 99 SER H H 99 8.611 8.611 7.846 0.765 18261 8741 1 12 . 1 1 100 100 ALA N N 100 124.275 124.275 123.865 0.410 18261 8742 1 12 . 1 1 100 100 ALA HA H 100 4.243 4.243 4.061 0.182 18261 8743 1 12 . 1 1 100 100 ALA C C 100 181.851 181.851 179.418 2.433 18261 8744 1 12 . 1 1 100 100 ALA CA C 100 55.321 55.321 54.834 0.487 18261 8745 1 12 . 1 1 100 100 ALA CB C 100 18.479 18.479 18.392 0.087 18261 8746 1 12 . 1 1 100 100 ALA H H 100 8.973 8.973 7.907 1.066 18261 8747 1 12 . 1 1 101 101 MET N N 101 118.986 118.986 119.409 -0.423 18261 8748 1 12 . 1 1 101 101 MET HA H 101 4.063 4.063 4.066 -0.003 18261 8749 1 12 . 1 1 101 101 MET C C 101 177.483 177.483 178.734 -1.251 18261 8750 1 12 . 1 1 101 101 MET CA C 101 60.999 60.999 60.037 0.962 18261 8751 1 12 . 1 1 101 101 MET CB C 101 34.583 34.583 32.864 1.719 18261 8752 1 12 . 1 1 101 101 MET H H 101 9.072 9.072 8.571 0.501 18261 8753 1 12 . 1 1 102 102 SER N N 102 116.650 116.650 114.842 1.808 18261 8754 1 12 . 1 1 102 102 SER HA H 102 4.370 4.370 4.235 0.135 18261 8755 1 12 . 1 1 102 102 SER C C 102 176.357 176.357 176.877 -0.520 18261 8756 1 12 . 1 1 102 102 SER CA C 102 63.278 63.278 62.231 1.047 18261 8757 1 12 . 1 1 102 102 SER CB C 102 62.523 62.523 62.697 -0.174 18261 8758 1 12 . 1 1 102 102 SER H H 102 8.673 8.673 8.644 0.029 18261 8759 1 12 . 1 1 103 103 ASN N N 103 118.060 118.060 120.449 -2.389 18261 8760 1 12 . 1 1 103 103 ASN HA H 103 4.477 4.477 4.530 -0.053 18261 8761 1 12 . 1 1 103 103 ASN C C 103 176.603 176.603 177.372 -0.769 18261 8762 1 12 . 1 1 103 103 ASN CA C 103 56.564 56.564 55.867 0.697 18261 8763 1 12 . 1 1 103 103 ASN CB C 103 38.362 38.362 38.347 0.015 18261 8764 1 12 . 1 1 103 103 ASN H H 103 8.098 8.098 7.828 0.270 18261 8765 1 12 . 1 1 104 104 ALA N N 104 122.235 122.235 121.918 0.317 18261 8766 1 12 . 1 1 104 104 ALA HA H 104 4.255 4.255 4.025 0.230 18261 8767 1 12 . 1 1 104 104 ALA C C 104 181.701 181.701 179.688 2.013 18261 8768 1 12 . 1 1 104 104 ALA CA C 104 54.815 54.815 55.002 -0.187 18261 8769 1 12 . 1 1 104 104 ALA CB C 104 18.177 18.177 18.153 0.024 18261 8770 1 12 . 1 1 104 104 ALA H H 104 7.919 7.919 8.245 -0.326 18261 8771 1 12 . 1 1 105 105 PHE N N 105 119.159 119.159 120.424 -1.265 18261 8772 1 12 . 1 1 105 105 PHE HA H 105 4.401 4.401 4.741 -0.340 18261 8773 1 12 . 1 1 105 105 PHE C C 105 179.224 179.224 177.643 1.581 18261 8774 1 12 . 1 1 105 105 PHE CA C 105 63.744 63.744 59.619 4.125 18261 8775 1 12 . 1 1 105 105 PHE CB C 105 39.417 39.417 39.636 -0.219 18261 8776 1 12 . 1 1 105 105 PHE H H 105 8.615 8.615 8.144 0.471 18261 8777 1 12 . 1 1 106 106 LEU N N 106 121.765 121.765 117.216 4.549 18261 8778 1 12 . 1 1 106 106 LEU HA H 106 3.741 3.741 4.001 -0.260 18261 8779 1 12 . 1 1 106 106 LEU C C 106 179.074 179.074 178.775 0.299 18261 8780 1 12 . 1 1 106 106 LEU CA C 106 59.086 59.086 57.550 1.536 18261 8781 1 12 . 1 1 106 106 LEU CB C 106 41.265 41.265 41.562 -0.297 18261 8782 1 12 . 1 1 106 106 LEU H H 106 8.259 8.259 7.994 0.265 18261 8783 1 12 . 1 1 107 107 GLN N N 107 114.755 114.755 116.569 -1.814 18261 8784 1 12 . 1 1 107 107 GLN HA H 107 4.189 4.189 4.347 -0.158 18261 8785 1 12 . 1 1 107 107 GLN C C 107 176.822 176.822 177.298 -0.476 18261 8786 1 12 . 1 1 107 107 GLN CA C 107 57.461 57.461 57.646 -0.185 18261 8787 1 12 . 1 1 107 107 GLN CB C 107 29.393 29.393 28.725 0.668 18261 8788 1 12 . 1 1 107 107 GLN H H 107 8.176 8.176 7.756 0.420 18261 8789 1 12 . 1 1 108 108 THR N N 108 108.074 108.074 112.783 -4.709 18261 8790 1 12 . 1 1 108 108 THR HA H 108 4.517 4.517 4.399 0.118 18261 8791 1 12 . 1 1 108 108 THR C C 108 175.952 175.952 175.671 0.281 18261 8792 1 12 . 1 1 108 108 THR CA C 108 62.526 62.526 64.201 -1.675 18261 8793 1 12 . 1 1 108 108 THR CB C 108 70.320 70.320 69.209 1.111 18261 8794 1 12 . 1 1 108 108 THR H H 108 7.740 7.740 7.581 0.159 18261 8795 1 12 . 1 1 109 109 THR N N 109 113.029 113.029 113.428 -0.399 18261 8796 1 12 . 1 1 109 109 THR HA H 109 4.620 4.620 4.322 0.298 18261 8797 1 12 . 1 1 109 109 THR C C 109 176.162 176.162 175.305 0.857 18261 8798 1 12 . 1 1 109 109 THR CA C 109 62.255 62.255 61.828 0.427 18261 8799 1 12 . 1 1 109 109 THR CB C 109 70.768 70.768 69.487 1.281 18261 8800 1 12 . 1 1 109 109 THR H H 109 8.869 8.869 7.455 1.414 18261 8801 1 12 . 1 1 110 110 GLY N N 110 109.433 109.433 110.419 -0.986 18261 8802 1 12 . 1 1 110 110 GLY C C 110 172.889 172.889 173.583 -0.694 18261 8803 1 12 . 1 1 110 110 GLY CA C 110 45.555 45.555 45.445 0.110 18261 8804 1 12 . 1 1 110 110 GLY H H 110 8.298 8.298 7.729 0.569 18261 8805 1 12 . 1 1 111 111 VAL N N 111 119.167 119.167 117.970 1.197 18261 8806 1 12 . 1 1 111 111 VAL HA H 111 4.266 4.266 4.373 -0.107 18261 8807 1 12 . 1 1 111 111 VAL C C 111 174.421 174.421 174.509 -0.088 18261 8808 1 12 . 1 1 111 111 VAL CA C 111 60.783 60.783 60.107 0.676 18261 8809 1 12 . 1 1 111 111 VAL CB C 111 35.394 35.394 35.687 -0.293 18261 8810 1 12 . 1 1 111 111 VAL H H 111 7.786 7.786 7.268 0.518 18261 8811 1 12 . 1 1 112 112 VAL N N 112 124.920 124.920 122.082 2.838 18261 8812 1 12 . 1 1 112 112 VAL HA H 112 3.251 3.251 4.621 -1.370 18261 8813 1 12 . 1 1 112 112 VAL C C 112 174.646 174.646 174.261 0.385 18261 8814 1 12 . 1 1 112 112 VAL CA C 112 64.409 64.409 60.602 3.807 18261 8815 1 12 . 1 1 112 112 VAL CB C 112 32.626 32.626 34.696 -2.070 18261 8816 1 12 . 1 1 112 112 VAL H H 112 8.721 8.721 8.310 0.411 18261 8817 1 12 . 1 1 113 113 ASN HA H 113 4.505 4.505 4.989 -0.484 18261 8818 1 12 . 1 1 113 113 ASN CA C 113 50.080 50.080 52.179 -2.099 18261 8819 1 12 . 1 1 113 113 ASN CB C 113 36.910 36.910 39.797 -2.887 18261 8820 1 12 . 1 1 114 114 GLN N N 114 123.939 123.939 126.569 -2.630 18261 8821 1 12 . 1 1 114 114 GLN HA H 114 3.944 3.944 4.510 -0.566 18261 8822 1 12 . 1 1 114 114 GLN C C 114 174.811 174.811 175.105 -0.294 18261 8823 1 12 . 1 1 114 114 GLN CA C 114 59.348 59.348 59.145 0.203 18261 8824 1 12 . 1 1 114 114 GLN CB C 114 26.505 26.505 27.774 -1.269 18261 8825 1 12 . 1 1 114 114 GLN H H 114 8.368 8.368 8.842 -0.474 18261 8826 1 12 . 1 1 115 115 PRO HA H 115 4.243 4.243 4.257 -0.014 18261 8827 1 12 . 1 1 115 115 PRO CA C 115 66.602 66.602 65.481 1.121 18261 8828 1 12 . 1 1 115 115 PRO CB C 115 31.215 31.215 31.194 0.021 18261 8829 1 12 . 1 1 116 116 PHE N N 116 117.612 117.612 115.284 2.328 18261 8830 1 12 . 1 1 116 116 PHE HA H 116 4.209 4.209 4.702 -0.493 18261 8831 1 12 . 1 1 116 116 PHE C C 116 176.597 176.597 178.132 -1.535 18261 8832 1 12 . 1 1 116 116 PHE CA C 116 61.261 61.261 61.243 0.018 18261 8833 1 12 . 1 1 116 116 PHE CB C 116 39.506 39.506 38.814 0.692 18261 8834 1 12 . 1 1 116 116 PHE H H 116 7.249 7.249 8.003 -0.754 18261 8835 1 12 . 1 1 117 117 ILE N N 117 119.233 119.233 120.243 -1.010 18261 8836 1 12 . 1 1 117 117 ILE HA H 117 3.537 3.537 3.815 -0.278 18261 8837 1 12 . 1 1 117 117 ILE C C 117 178.789 178.789 177.906 0.883 18261 8838 1 12 . 1 1 117 117 ILE CA C 117 65.677 65.677 64.778 0.900 18261 8839 1 12 . 1 1 117 117 ILE CB C 117 38.125 38.125 37.568 0.557 18261 8840 1 12 . 1 1 117 117 ILE H H 117 7.652 7.652 8.019 -0.367 18261 8841 1 12 . 1 1 118 118 ASN N N 118 119.875 119.875 120.064 -0.189 18261 8842 1 12 . 1 1 118 118 ASN HA H 118 4.304 4.304 4.558 -0.254 18261 8843 1 12 . 1 1 118 118 ASN C C 118 177.033 177.033 177.820 -0.787 18261 8844 1 12 . 1 1 118 118 ASN CA C 118 55.716 55.716 56.235 -0.519 18261 8845 1 12 . 1 1 118 118 ASN CB C 118 37.423 37.423 37.848 -0.425 18261 8846 1 12 . 1 1 118 118 ASN H H 118 8.975 8.975 7.864 1.111 18261 8847 1 12 . 1 1 119 119 GLU N N 119 121.029 121.029 120.955 0.074 18261 8848 1 12 . 1 1 119 119 GLU HA H 119 4.026 4.026 4.018 0.008 18261 8849 1 12 . 1 1 119 119 GLU C C 119 178.564 178.564 179.154 -0.590 18261 8850 1 12 . 1 1 119 119 GLU CA C 119 59.426 59.426 59.366 0.060 18261 8851 1 12 . 1 1 119 119 GLU CB C 119 29.646 29.646 29.692 -0.046 18261 8852 1 12 . 1 1 119 119 GLU H H 119 8.120 8.120 7.931 0.189 18261 8853 1 12 . 1 1 120 120 ILE N N 120 117.654 117.654 119.309 -1.655 18261 8854 1 12 . 1 1 120 120 ILE HA H 120 3.734 3.734 3.850 -0.116 18261 8855 1 12 . 1 1 120 120 ILE C C 120 178.279 178.279 178.256 0.023 18261 8856 1 12 . 1 1 120 120 ILE CA C 120 62.756 62.756 65.374 -2.618 18261 8857 1 12 . 1 1 120 120 ILE CB C 120 35.645 35.645 38.097 -2.452 18261 8858 1 12 . 1 1 120 120 ILE H H 120 8.077 8.077 7.861 0.216 18261 8859 1 12 . 1 1 121 121 THR N N 121 112.585 112.585 114.693 -2.108 18261 8860 1 12 . 1 1 121 121 THR HA H 121 3.753 3.753 3.964 -0.211 18261 8861 1 12 . 1 1 121 121 THR C C 121 177.258 177.258 177.119 0.139 18261 8862 1 12 . 1 1 121 121 THR CA C 121 67.090 67.090 65.954 1.136 18261 8863 1 12 . 1 1 121 121 THR CB C 121 68.254 68.254 68.653 -0.399 18261 8864 1 12 . 1 1 121 121 THR H H 121 8.640 8.640 7.943 0.697 18261 8865 1 12 . 1 1 122 122 GLN N N 122 123.063 123.063 120.986 2.077 18261 8866 1 12 . 1 1 122 122 GLN HA H 122 4.091 4.091 4.063 0.028 18261 8867 1 12 . 1 1 122 122 GLN C C 122 179.014 179.014 178.859 0.155 18261 8868 1 12 . 1 1 122 122 GLN CA C 122 59.192 59.192 58.672 0.520 18261 8869 1 12 . 1 1 122 122 GLN CB C 122 28.020 28.020 28.606 -0.586 18261 8870 1 12 . 1 1 122 122 GLN H H 122 8.111 8.111 7.904 0.207 18261 8871 1 12 . 1 1 123 123 LEU N N 123 120.494 120.494 120.544 -0.050 18261 8872 1 12 . 1 1 123 123 LEU HA H 123 3.841 3.841 4.115 -0.274 18261 8873 1 12 . 1 1 123 123 LEU C C 123 178.354 178.354 178.779 -0.425 18261 8874 1 12 . 1 1 123 123 LEU CA C 123 58.005 58.005 57.862 0.143 18261 8875 1 12 . 1 1 123 123 LEU CB C 123 42.580 42.580 41.680 0.900 18261 8876 1 12 . 1 1 123 123 LEU H H 123 8.131 8.131 7.729 0.402 18261 8877 1 12 . 1 1 124 124 VAL N N 124 118.543 118.543 121.648 -3.105 18261 8878 1 12 . 1 1 124 124 VAL HA H 124 3.560 3.560 3.800 -0.240 18261 8879 1 12 . 1 1 124 124 VAL C C 124 177.453 177.453 178.432 -0.979 18261 8880 1 12 . 1 1 124 124 VAL CA C 124 67.297 67.297 67.058 0.239 18261 8881 1 12 . 1 1 124 124 VAL CB C 124 31.526 31.526 31.358 0.168 18261 8882 1 12 . 1 1 124 124 VAL H H 124 8.732 8.732 8.712 0.020 18261 8883 1 12 . 1 1 125 125 SER N N 125 112.449 112.449 114.635 -2.186 18261 8884 1 12 . 1 1 125 125 SER HA H 125 4.044 4.044 4.087 -0.043 18261 8885 1 12 . 1 1 125 125 SER C C 125 175.937 175.937 176.816 -0.879 18261 8886 1 12 . 1 1 125 125 SER CA C 125 62.356 62.356 61.460 0.896 18261 8887 1 12 . 1 1 125 125 SER CB C 125 62.890 62.890 63.013 -0.123 18261 8888 1 12 . 1 1 125 125 SER H H 125 7.863 7.863 7.889 -0.026 18261 8889 1 12 . 1 1 126 126 MET N N 126 120.797 120.797 121.498 -0.701 18261 8890 1 12 . 1 1 126 126 MET HA H 126 4.051 4.051 4.104 -0.053 18261 8891 1 12 . 1 1 126 126 MET C C 126 179.254 179.254 178.467 0.787 18261 8892 1 12 . 1 1 126 126 MET CA C 126 58.939 58.939 58.653 0.286 18261 8893 1 12 . 1 1 126 126 MET CB C 126 32.625 32.625 32.626 -0.000 18261 8894 1 12 . 1 1 126 126 MET H H 126 8.033 8.033 7.466 0.567 18261 8895 1 12 . 1 1 127 127 PHE N N 127 118.244 118.244 118.598 -0.354 18261 8896 1 12 . 1 1 127 127 PHE HA H 127 4.398 4.398 4.277 0.121 18261 8897 1 12 . 1 1 127 127 PHE C C 127 178.128 178.128 178.019 0.109 18261 8898 1 12 . 1 1 127 127 PHE CA C 127 59.991 59.991 60.794 -0.803 18261 8899 1 12 . 1 1 127 127 PHE CB C 127 38.584 38.584 38.241 0.343 18261 8900 1 12 . 1 1 127 127 PHE H H 127 8.753 8.753 8.639 0.114 18261 8901 1 12 . 1 1 128 128 ALA N N 128 120.518 120.518 122.167 -1.649 18261 8902 1 12 . 1 1 128 128 ALA HA H 128 4.152 4.152 4.156 -0.004 18261 8903 1 12 . 1 1 128 128 ALA C C 128 178.789 178.789 179.530 -0.741 18261 8904 1 12 . 1 1 128 128 ALA CA C 128 54.570 54.570 54.878 -0.308 18261 8905 1 12 . 1 1 128 128 ALA CB C 128 19.373 19.373 18.189 1.184 18261 8906 1 12 . 1 1 128 128 ALA H H 128 8.681 8.681 8.634 0.047 18261 8907 1 12 . 1 1 129 129 GLN N N 129 115.315 115.315 116.764 -1.449 18261 8908 1 12 . 1 1 129 129 GLN HA H 129 4.197 4.197 4.109 0.088 18261 8909 1 12 . 1 1 129 129 GLN C C 129 177.258 177.258 176.855 0.403 18261 8910 1 12 . 1 1 129 129 GLN CA C 129 57.519 57.519 57.541 -0.021 18261 8911 1 12 . 1 1 129 129 GLN CB C 129 29.271 29.271 28.359 0.912 18261 8912 1 12 . 1 1 129 129 GLN H H 129 7.835 7.835 7.843 -0.008 18261 8913 1 12 . 1 1 130 130 ALA N N 130 121.556 121.556 118.997 2.559 18261 8914 1 12 . 1 1 130 130 ALA HA H 130 4.285 4.285 4.336 -0.051 18261 8915 1 12 . 1 1 130 130 ALA C C 130 178.564 178.564 177.856 0.708 18261 8916 1 12 . 1 1 130 130 ALA CA C 130 53.823 53.823 52.569 1.254 18261 8917 1 12 . 1 1 130 130 ALA CB C 130 19.058 19.058 18.731 0.327 18261 8918 1 12 . 1 1 130 130 ALA H H 130 7.758 7.758 7.389 0.369 18261 8919 1 12 . 1 1 131 131 GLY N N 131 105.780 105.780 104.990 0.790 18261 8920 1 12 . 1 1 131 131 GLY C C 131 173.970 173.970 174.101 -0.131 18261 8921 1 12 . 1 1 131 131 GLY CA C 131 45.702 45.702 45.503 0.199 18261 8922 1 12 . 1 1 131 131 GLY H H 131 8.222 8.222 7.918 0.304 18261 8923 1 12 . 1 1 132 132 MET N N 132 118.358 118.358 118.216 0.142 18261 8924 1 12 . 1 1 132 132 MET HA H 132 4.540 4.540 4.510 0.030 18261 8925 1 12 . 1 1 132 132 MET C C 132 175.952 175.952 176.074 -0.122 18261 8926 1 12 . 1 1 132 132 MET CA C 132 55.611 55.611 56.237 -0.626 18261 8927 1 12 . 1 1 132 132 MET CB C 132 33.473 33.473 34.422 -0.949 18261 8928 1 12 . 1 1 132 132 MET H H 132 7.763 7.763 7.457 0.306 18261 8929 1 12 . 1 1 133 133 ASN N N 133 119.002 119.002 118.806 0.196 18261 8930 1 12 . 1 1 133 133 ASN HA H 133 4.725 4.725 4.697 0.028 18261 8931 1 12 . 1 1 133 133 ASN C C 133 174.646 174.646 174.776 -0.130 18261 8932 1 12 . 1 1 133 133 ASN CA C 133 53.512 53.512 53.770 -0.258 18261 8933 1 12 . 1 1 133 133 ASN CB C 133 39.301 39.301 40.260 -0.959 18261 8934 1 12 . 1 1 133 133 ASN H H 133 8.289 8.289 7.823 0.466 18261 8935 1 12 . 1 1 134 134 ASP N N 134 120.907 120.907 120.270 0.637 18261 8936 1 12 . 1 1 134 134 ASP HA H 134 4.659 4.659 4.600 0.059 18261 8937 1 12 . 1 1 134 134 ASP C C 134 176.162 176.162 175.846 0.316 18261 8938 1 12 . 1 1 134 134 ASP CA C 134 54.379 54.379 55.022 -0.643 18261 8939 1 12 . 1 1 134 134 ASP CB C 134 41.291 41.291 40.086 1.205 18261 8940 1 12 . 1 1 134 134 ASP H H 134 8.364 8.364 8.720 -0.356 18261 8941 1 12 . 1 1 135 135 VAL N N 135 119.971 119.971 118.205 1.766 18261 8942 1 12 . 1 1 135 135 VAL HA H 135 4.214 4.214 4.265 -0.051 18261 8943 1 12 . 1 1 135 135 VAL C C 135 176.162 176.162 175.390 0.772 18261 8944 1 12 . 1 1 135 135 VAL CA C 135 62.157 62.157 61.511 0.646 18261 8945 1 12 . 1 1 135 135 VAL CB C 135 32.644 32.644 32.774 -0.130 18261 8946 1 12 . 1 1 135 135 VAL H H 135 8.118 8.118 7.100 1.018 18261 8947 1 12 . 1 1 136 136 SER N N 136 119.918 119.918 119.263 0.655 18261 8948 1 12 . 1 1 136 136 SER HA H 136 4.462 4.462 4.404 0.057 18261 8949 1 12 . 1 1 136 136 SER C C 136 173.325 173.325 173.947 -0.622 18261 8950 1 12 . 1 1 136 136 SER CA C 136 58.342 58.342 59.169 -0.827 18261 8951 1 12 . 1 1 136 136 SER CB C 136 64.041 64.041 62.008 2.033 18261 8952 1 12 . 1 1 136 136 SER H H 136 8.410 8.410 7.597 0.813 18261 8953 1 13 . 1 1 3 3 GLY CA C 3 45.200 45.200 44.352 0.848 18261 8954 1 13 . 1 1 4 4 ASN N N 4 124.083 124.083 120.373 3.710 18261 8955 1 13 . 1 1 4 4 ASN HA H 4 4.530 4.530 4.671 -0.141 18261 8956 1 13 . 1 1 4 4 ASN C C 4 179.449 179.449 175.579 3.870 18261 8957 1 13 . 1 1 4 4 ASN CA C 4 54.803 54.803 54.748 0.055 18261 8958 1 13 . 1 1 4 4 ASN CB C 4 41.106 41.106 39.285 1.821 18261 8959 1 13 . 1 1 4 4 ASN H H 4 7.981 7.981 7.987 -0.006 18261 8960 1 13 . 1 1 6 6 HIS HA H 6 4.693 4.693 4.685 0.008 18261 8961 1 13 . 1 1 6 6 HIS CA C 6 56.115 56.115 56.557 -0.442 18261 8962 1 13 . 1 1 6 6 HIS CB C 6 31.011 31.011 32.041 -1.030 18261 8963 1 13 . 1 1 7 7 THR N N 7 115.238 115.238 120.397 -5.159 18261 8964 1 13 . 1 1 7 7 THR HA H 7 4.318 4.318 4.656 -0.338 18261 8965 1 13 . 1 1 7 7 THR C C 7 173.970 173.970 173.357 0.613 18261 8966 1 13 . 1 1 7 7 THR CA C 7 62.099 62.099 61.251 0.848 18261 8967 1 13 . 1 1 7 7 THR CB C 7 69.779 69.779 68.927 0.852 18261 8968 1 13 . 1 1 7 7 THR H H 7 8.120 8.120 8.524 -0.404 18261 8969 1 13 . 1 1 8 8 THR N N 8 115.713 115.713 123.454 -7.741 18261 8970 1 13 . 1 1 8 8 THR HA H 8 4.146 4.146 4.207 -0.061 18261 8971 1 13 . 1 1 8 8 THR C C 8 172.664 172.664 172.785 -0.121 18261 8972 1 13 . 1 1 8 8 THR CA C 8 58.349 58.349 59.570 -1.221 18261 8973 1 13 . 1 1 8 8 THR CB C 8 69.219 69.219 70.326 -1.107 18261 8974 1 13 . 1 1 8 8 THR H H 8 7.977 7.977 8.054 -0.077 18261 8975 1 13 . 1 1 9 9 PRO HA H 9 3.939 3.939 4.118 -0.179 18261 8976 1 13 . 1 1 9 9 PRO CA C 9 62.965 62.965 64.191 -1.226 18261 8977 1 13 . 1 1 9 9 PRO CB C 9 30.610 30.610 30.898 -0.288 18261 8978 1 13 . 1 1 10 10 TRP N N 10 111.487 111.487 116.465 -4.978 18261 8979 1 13 . 1 1 10 10 TRP HA H 10 4.899 4.899 4.617 0.282 18261 8980 1 13 . 1 1 10 10 TRP C C 10 175.817 175.817 176.783 -0.966 18261 8981 1 13 . 1 1 10 10 TRP CA C 10 54.292 54.292 56.112 -1.820 18261 8982 1 13 . 1 1 10 10 TRP CB C 10 31.219 31.219 28.555 2.664 18261 8983 1 13 . 1 1 10 10 TRP H H 10 6.681 6.681 7.201 -0.520 18261 8984 1 13 . 1 1 11 11 THR N N 11 106.120 106.120 113.685 -7.565 18261 8985 1 13 . 1 1 11 11 THR HA H 11 3.905 3.905 4.123 -0.218 18261 8986 1 13 . 1 1 11 11 THR C C 11 173.970 173.970 174.602 -0.632 18261 8987 1 13 . 1 1 11 11 THR CA C 11 63.937 63.937 63.884 0.053 18261 8988 1 13 . 1 1 11 11 THR CB C 11 69.242 69.242 69.043 0.199 18261 8989 1 13 . 1 1 11 11 THR H H 11 7.189 7.189 7.438 -0.249 18261 8990 1 13 . 1 1 12 12 ASN N N 12 116.403 116.403 118.067 -1.664 18261 8991 1 13 . 1 1 12 12 ASN HA H 12 5.115 5.115 5.162 -0.047 18261 8992 1 13 . 1 1 12 12 ASN C C 12 172.889 172.889 173.827 -0.938 18261 8993 1 13 . 1 1 12 12 ASN CA C 12 51.276 51.276 50.283 0.993 18261 8994 1 13 . 1 1 12 12 ASN CB C 12 40.474 40.474 40.013 0.461 18261 8995 1 13 . 1 1 12 12 ASN H H 12 7.282 7.282 7.465 -0.183 18261 8996 1 13 . 1 1 13 13 PRO HA H 13 4.210 4.210 4.399 -0.189 18261 8997 1 13 . 1 1 13 13 PRO CA C 13 65.516 65.516 65.485 0.031 18261 8998 1 13 . 1 1 13 13 PRO CB C 13 32.418 32.418 32.130 0.288 18261 8999 1 13 . 1 1 14 14 GLY N N 14 108.796 108.796 106.688 2.108 18261 9000 1 13 . 1 1 14 14 GLY C C 14 175.952 175.952 176.021 -0.069 18261 9001 1 13 . 1 1 14 14 GLY CA C 14 47.073 47.073 47.068 0.006 18261 9002 1 13 . 1 1 14 14 GLY H H 14 8.363 8.363 8.810 -0.447 18261 9003 1 13 . 1 1 15 15 LEU N N 15 124.473 124.473 123.354 1.119 18261 9004 1 13 . 1 1 15 15 LEU HA H 15 4.335 4.335 4.226 0.109 18261 9005 1 13 . 1 1 15 15 LEU C C 15 178.564 178.564 178.484 0.080 18261 9006 1 13 . 1 1 15 15 LEU CA C 15 57.402 57.402 56.634 0.768 18261 9007 1 13 . 1 1 15 15 LEU CB C 15 41.600 41.600 41.573 0.027 18261 9008 1 13 . 1 1 15 15 LEU H H 15 7.890 7.890 7.321 0.569 18261 9009 1 13 . 1 1 16 16 ALA N N 16 121.371 121.371 122.409 -1.038 18261 9010 1 13 . 1 1 16 16 ALA HA H 16 4.000 4.000 4.119 -0.119 18261 9011 1 13 . 1 1 16 16 ALA C C 16 179.104 179.104 179.273 -0.169 18261 9012 1 13 . 1 1 16 16 ALA CA C 16 56.360 56.360 55.725 0.635 18261 9013 1 13 . 1 1 16 16 ALA CB C 16 19.351 19.351 18.156 1.195 18261 9014 1 13 . 1 1 16 16 ALA H H 16 8.429 8.429 8.507 -0.078 18261 9015 1 13 . 1 1 17 17 GLU N N 17 117.199 117.199 119.057 -1.858 18261 9016 1 13 . 1 1 17 17 GLU HA H 17 3.964 3.964 3.982 -0.018 18261 9017 1 13 . 1 1 17 17 GLU C C 17 177.993 177.993 179.099 -1.106 18261 9018 1 13 . 1 1 17 17 GLU CA C 17 59.543 59.543 59.702 -0.159 18261 9019 1 13 . 1 1 17 17 GLU CB C 17 29.932 29.932 29.753 0.178 18261 9020 1 13 . 1 1 17 17 GLU H H 17 8.030 8.030 8.249 -0.219 18261 9021 1 13 . 1 1 18 18 ASN N N 18 118.433 118.433 118.280 0.153 18261 9022 1 13 . 1 1 18 18 ASN HA H 18 4.546 4.546 4.490 0.056 18261 9023 1 13 . 1 1 18 18 ASN C C 18 178.347 178.347 177.765 0.582 18261 9024 1 13 . 1 1 18 18 ASN CA C 18 56.226 56.226 56.273 -0.047 18261 9025 1 13 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.302 -0.178 18261 9026 1 13 . 1 1 18 18 ASN H H 18 8.075 8.075 8.168 -0.093 18261 9027 1 13 . 1 1 19 19 PHE N N 19 122.078 122.078 122.830 -0.752 18261 9028 1 13 . 1 1 19 19 PHE HA H 19 3.881 3.881 4.307 -0.426 18261 9029 1 13 . 1 1 19 19 PHE C C 19 176.837 176.837 177.433 -0.596 18261 9030 1 13 . 1 1 19 19 PHE CA C 19 62.230 62.230 61.575 0.655 18261 9031 1 13 . 1 1 19 19 PHE CB C 19 39.450 39.450 39.163 0.287 18261 9032 1 13 . 1 1 19 19 PHE H H 19 9.623 9.623 8.569 1.054 18261 9033 1 13 . 1 1 20 20 MET N N 20 118.264 118.264 116.593 1.671 18261 9034 1 13 . 1 1 20 20 MET HA H 20 4.424 4.424 4.036 0.388 18261 9035 1 13 . 1 1 20 20 MET C C 20 178.924 178.924 178.690 0.234 18261 9036 1 13 . 1 1 20 20 MET CA C 20 57.480 57.480 56.937 0.543 18261 9037 1 13 . 1 1 20 20 MET CB C 20 31.929 31.929 30.756 1.173 18261 9038 1 13 . 1 1 20 20 MET H H 20 8.865 8.865 8.239 0.626 18261 9039 1 13 . 1 1 21 21 ASN N N 21 118.455 118.455 119.505 -1.050 18261 9040 1 13 . 1 1 21 21 ASN HA H 21 4.542 4.542 4.465 0.077 18261 9041 1 13 . 1 1 21 21 ASN C C 21 178.249 178.249 178.012 0.237 18261 9042 1 13 . 1 1 21 21 ASN CA C 21 56.305 56.305 57.088 -0.783 18261 9043 1 13 . 1 1 21 21 ASN CB C 21 37.916 37.916 38.471 -0.555 18261 9044 1 13 . 1 1 21 21 ASN H H 21 8.453 8.453 8.512 -0.059 18261 9045 1 13 . 1 1 22 22 SER N N 22 116.036 116.036 115.308 0.728 18261 9046 1 13 . 1 1 22 22 SER HA H 22 4.196 4.196 4.264 -0.068 18261 9047 1 13 . 1 1 22 22 SER C C 22 178.143 178.143 176.395 1.748 18261 9048 1 13 . 1 1 22 22 SER CA C 22 62.256 62.256 60.464 1.792 18261 9049 1 13 . 1 1 22 22 SER CB C 22 62.870 62.870 62.920 -0.050 18261 9050 1 13 . 1 1 22 22 SER H H 22 7.959 7.959 8.299 -0.340 18261 9051 1 13 . 1 1 23 23 PHE N N 23 124.987 124.987 124.213 0.774 18261 9052 1 13 . 1 1 23 23 PHE HA H 23 4.005 4.005 4.129 -0.124 18261 9053 1 13 . 1 1 23 23 PHE C C 23 175.652 175.652 177.113 -1.461 18261 9054 1 13 . 1 1 23 23 PHE CA C 23 60.525 60.525 61.142 -0.616 18261 9055 1 13 . 1 1 23 23 PHE CB C 23 38.899 38.899 38.910 -0.011 18261 9056 1 13 . 1 1 23 23 PHE H H 23 9.045 9.045 7.935 1.110 18261 9057 1 13 . 1 1 24 24 MET N N 24 117.260 117.260 116.115 1.145 18261 9058 1 13 . 1 1 24 24 MET HA H 24 4.040 4.040 3.821 0.219 18261 9059 1 13 . 1 1 24 24 MET C C 24 179.797 179.797 178.565 1.232 18261 9060 1 13 . 1 1 24 24 MET CA C 24 56.047 56.047 56.191 -0.144 18261 9061 1 13 . 1 1 24 24 MET CB C 24 30.308 30.308 30.791 -0.483 18261 9062 1 13 . 1 1 24 24 MET H H 24 8.302 8.302 7.879 0.423 18261 9063 1 13 . 1 1 25 25 GLN N N 25 120.167 120.167 116.653 3.514 18261 9064 1 13 . 1 1 25 25 GLN HA H 25 3.985 3.985 4.066 -0.081 18261 9065 1 13 . 1 1 25 25 GLN C C 25 179.870 179.870 177.791 2.079 18261 9066 1 13 . 1 1 25 25 GLN CA C 25 59.136 59.136 57.940 1.196 18261 9067 1 13 . 1 1 25 25 GLN CB C 25 28.234 28.234 28.407 -0.173 18261 9068 1 13 . 1 1 25 25 GLN H H 25 8.038 8.038 7.578 0.460 18261 9069 1 13 . 1 1 26 26 GLY N N 26 107.636 107.636 104.727 2.909 18261 9070 1 13 . 1 1 26 26 GLY C C 26 176.387 176.387 175.560 0.827 18261 9071 1 13 . 1 1 26 26 GLY CA C 26 46.911 46.911 45.234 1.677 18261 9072 1 13 . 1 1 26 26 GLY H H 26 8.095 8.095 7.406 0.689 18261 9073 1 13 . 1 1 27 27 LEU N N 27 122.877 122.877 123.457 -0.580 18261 9074 1 13 . 1 1 27 27 LEU HA H 27 3.783 3.783 4.127 -0.344 18261 9075 1 13 . 1 1 27 27 LEU C C 27 178.564 178.564 178.125 0.439 18261 9076 1 13 . 1 1 27 27 LEU CA C 27 57.262 57.262 56.203 1.059 18261 9077 1 13 . 1 1 27 27 LEU CB C 27 42.076 42.076 41.761 0.315 18261 9078 1 13 . 1 1 27 27 LEU H H 27 8.369 8.369 7.524 0.845 18261 9079 1 13 . 1 1 28 28 SER N N 28 109.474 109.474 113.310 -3.836 18261 9080 1 13 . 1 1 28 28 SER HA H 28 4.138 4.138 4.237 -0.099 18261 9081 1 13 . 1 1 28 28 SER C C 28 174.421 174.421 175.480 -1.059 18261 9082 1 13 . 1 1 28 28 SER CA C 28 61.153 61.153 60.545 0.608 18261 9083 1 13 . 1 1 28 28 SER CB C 28 63.320 63.320 63.011 0.309 18261 9084 1 13 . 1 1 28 28 SER H H 28 7.527 7.527 7.900 -0.373 18261 9085 1 13 . 1 1 29 29 SER N N 29 114.550 114.550 115.446 -0.896 18261 9086 1 13 . 1 1 29 29 SER HA H 29 4.734 4.734 4.515 0.219 18261 9087 1 13 . 1 1 29 29 SER C C 29 173.970 173.970 173.897 0.073 18261 9088 1 13 . 1 1 29 29 SER CA C 29 57.927 57.927 58.302 -0.375 18261 9089 1 13 . 1 1 29 29 SER CB C 29 64.500 64.500 63.911 0.589 18261 9090 1 13 . 1 1 29 29 SER H H 29 7.449 7.449 7.490 -0.041 18261 9091 1 13 . 1 1 30 30 MET N N 30 122.420 122.420 122.472 -0.052 18261 9092 1 13 . 1 1 30 30 MET HA H 30 4.952 4.952 4.897 0.055 18261 9093 1 13 . 1 1 30 30 MET C C 30 174.195 174.195 175.151 -0.956 18261 9094 1 13 . 1 1 30 30 MET CA C 30 53.638 53.638 51.649 1.989 18261 9095 1 13 . 1 1 30 30 MET CB C 30 32.305 32.305 32.030 0.275 18261 9096 1 13 . 1 1 30 30 MET H H 30 7.674 7.674 7.648 0.026 18261 9097 1 13 . 1 1 31 31 PRO HA H 31 4.669 4.669 4.526 0.143 18261 9098 1 13 . 1 1 31 31 PRO CA C 31 62.880 62.880 63.920 -1.040 18261 9099 1 13 . 1 1 31 31 PRO CB C 31 32.742 32.742 31.927 0.815 18261 9100 1 13 . 1 1 32 32 GLY N N 32 106.222 106.222 106.108 0.114 18261 9101 1 13 . 1 1 32 32 GLY C C 32 172.454 172.454 173.223 -0.769 18261 9102 1 13 . 1 1 32 32 GLY CA C 32 45.608 45.608 44.982 0.626 18261 9103 1 13 . 1 1 32 32 GLY H H 32 8.415 8.415 8.561 -0.146 18261 9104 1 13 . 1 1 33 33 PHE N N 33 116.404 116.404 117.029 -0.625 18261 9105 1 13 . 1 1 33 33 PHE HA H 33 5.167 5.167 5.242 -0.075 18261 9106 1 13 . 1 1 33 33 PHE C C 33 176.387 176.387 174.150 2.237 18261 9107 1 13 . 1 1 33 33 PHE CA C 33 56.750 56.750 56.534 0.216 18261 9108 1 13 . 1 1 33 33 PHE CB C 33 42.080 42.080 43.224 -1.144 18261 9109 1 13 . 1 1 33 33 PHE H H 33 7.871 7.871 7.530 0.341 18261 9110 1 13 . 1 1 34 34 THR N N 34 113.684 113.684 113.037 0.647 18261 9111 1 13 . 1 1 34 34 THR HA H 34 4.545 4.545 4.726 -0.181 18261 9112 1 13 . 1 1 34 34 THR C C 34 175.066 175.066 175.281 -0.215 18261 9113 1 13 . 1 1 34 34 THR CA C 34 60.339 60.339 58.508 1.831 18261 9114 1 13 . 1 1 34 34 THR CB C 34 70.381 70.381 71.128 -0.747 18261 9115 1 13 . 1 1 34 34 THR H H 34 8.899 8.899 8.183 0.716 18261 9116 1 13 . 1 1 35 35 ALA N N 35 122.927 122.927 125.477 -2.550 18261 9117 1 13 . 1 1 35 35 ALA HA H 35 4.092 4.092 4.183 -0.091 18261 9118 1 13 . 1 1 35 35 ALA C C 35 180.755 180.755 179.711 1.044 18261 9119 1 13 . 1 1 35 35 ALA CA C 35 55.827 55.827 55.257 0.570 18261 9120 1 13 . 1 1 35 35 ALA CB C 35 18.098 18.098 18.624 -0.526 18261 9121 1 13 . 1 1 35 35 ALA H H 35 8.864 8.864 8.775 0.089 18261 9122 1 13 . 1 1 36 36 SER N N 36 112.708 112.708 113.344 -0.636 18261 9123 1 13 . 1 1 36 36 SER HA H 36 4.276 4.276 4.131 0.145 18261 9124 1 13 . 1 1 36 36 SER C C 36 177.033 177.033 176.543 0.490 18261 9125 1 13 . 1 1 36 36 SER CA C 36 61.403 61.403 61.102 0.300 18261 9126 1 13 . 1 1 36 36 SER CB C 36 62.371 62.371 62.835 -0.464 18261 9127 1 13 . 1 1 36 36 SER H H 36 8.389 8.389 7.902 0.487 18261 9128 1 13 . 1 1 37 37 GLN N N 37 121.595 121.595 120.543 1.052 18261 9129 1 13 . 1 1 37 37 GLN HA H 37 4.272 4.272 4.078 0.194 18261 9130 1 13 . 1 1 37 37 GLN C C 37 179.149 179.149 178.774 0.375 18261 9131 1 13 . 1 1 37 37 GLN CA C 37 58.638 58.638 59.083 -0.445 18261 9132 1 13 . 1 1 37 37 GLN CB C 37 29.123 29.123 28.676 0.447 18261 9133 1 13 . 1 1 37 37 GLN H H 37 7.621 7.621 7.584 0.037 18261 9134 1 13 . 1 1 38 38 LEU N N 38 119.852 119.852 120.589 -0.737 18261 9135 1 13 . 1 1 38 38 LEU HA H 38 3.838 3.838 3.962 -0.124 18261 9136 1 13 . 1 1 38 38 LEU C C 38 179.675 179.675 178.716 0.959 18261 9137 1 13 . 1 1 38 38 LEU CA C 38 57.929 57.929 58.524 -0.595 18261 9138 1 13 . 1 1 38 38 LEU CB C 38 40.918 40.918 41.417 -0.499 18261 9139 1 13 . 1 1 38 38 LEU H H 38 8.341 8.341 8.012 0.329 18261 9140 1 13 . 1 1 39 39 ASP N N 39 122.065 122.065 120.566 1.499 18261 9141 1 13 . 1 1 39 39 ASP HA H 39 4.439 4.439 4.282 0.157 18261 9142 1 13 . 1 1 39 39 ASP C C 39 179.224 179.224 178.328 0.896 18261 9143 1 13 . 1 1 39 39 ASP CA C 39 57.710 57.710 58.142 -0.432 18261 9144 1 13 . 1 1 39 39 ASP CB C 39 40.245 40.245 40.933 -0.688 18261 9145 1 13 . 1 1 39 39 ASP H H 39 7.955 7.955 7.978 -0.023 18261 9146 1 13 . 1 1 40 40 ASP N N 40 121.957 121.957 120.413 1.544 18261 9147 1 13 . 1 1 40 40 ASP HA H 40 4.483 4.483 4.399 0.084 18261 9148 1 13 . 1 1 40 40 ASP C C 40 179.600 179.600 178.461 1.139 18261 9149 1 13 . 1 1 40 40 ASP CA C 40 57.745 57.745 57.490 0.255 18261 9150 1 13 . 1 1 40 40 ASP CB C 40 40.190 40.190 40.871 -0.681 18261 9151 1 13 . 1 1 40 40 ASP H H 40 8.022 8.022 8.025 -0.003 18261 9152 1 13 . 1 1 41 41 MET N N 41 121.160 121.160 120.454 0.706 18261 9153 1 13 . 1 1 41 41 MET HA H 41 4.204 4.204 3.973 0.231 18261 9154 1 13 . 1 1 41 41 MET C C 41 177.693 177.693 177.774 -0.081 18261 9155 1 13 . 1 1 41 41 MET CA C 41 57.634 57.634 59.393 -1.759 18261 9156 1 13 . 1 1 41 41 MET CB C 41 31.422 31.422 32.691 -1.270 18261 9157 1 13 . 1 1 41 41 MET H H 41 8.668 8.668 8.203 0.465 18261 9158 1 13 . 1 1 42 42 SER N N 42 116.421 116.421 114.595 1.826 18261 9159 1 13 . 1 1 42 42 SER HA H 42 4.304 4.304 4.188 0.116 18261 9160 1 13 . 1 1 42 42 SER C C 42 177.483 177.483 176.933 0.550 18261 9161 1 13 . 1 1 42 42 SER CA C 42 62.075 62.075 62.066 0.009 18261 9162 1 13 . 1 1 42 42 SER CB C 42 62.765 62.765 63.061 -0.296 18261 9163 1 13 . 1 1 42 42 SER H H 42 8.375 8.375 8.473 -0.098 18261 9164 1 13 . 1 1 43 43 THR N N 43 118.797 118.797 118.830 -0.033 18261 9165 1 13 . 1 1 43 43 THR HA H 43 4.042 4.042 4.034 0.008 18261 9166 1 13 . 1 1 43 43 THR C C 43 177.258 177.258 176.954 0.304 18261 9167 1 13 . 1 1 43 43 THR CA C 43 66.584 66.584 66.583 0.001 18261 9168 1 13 . 1 1 43 43 THR CB C 43 68.490 68.490 68.851 -0.361 18261 9169 1 13 . 1 1 43 43 THR H H 43 7.928 7.928 7.529 0.399 18261 9170 1 13 . 1 1 44 44 ILE N N 44 122.960 122.960 121.047 1.913 18261 9171 1 13 . 1 1 44 44 ILE HA H 44 3.930 3.930 3.782 0.148 18261 9172 1 13 . 1 1 44 44 ILE C C 44 178.564 178.564 177.772 0.792 18261 9173 1 13 . 1 1 44 44 ILE CA C 44 64.483 64.483 62.885 1.598 18261 9174 1 13 . 1 1 44 44 ILE CB C 44 38.015 38.015 36.536 1.478 18261 9175 1 13 . 1 1 44 44 ILE H H 44 7.863 7.863 8.277 -0.414 18261 9176 1 13 . 1 1 45 45 ALA N N 45 124.792 124.792 122.535 2.257 18261 9177 1 13 . 1 1 45 45 ALA HA H 45 4.122 4.122 3.983 0.139 18261 9178 1 13 . 1 1 45 45 ALA C C 45 179.404 179.404 179.859 -0.455 18261 9179 1 13 . 1 1 45 45 ALA CA C 45 56.009 56.009 55.254 0.755 18261 9180 1 13 . 1 1 45 45 ALA CB C 45 18.908 18.908 18.374 0.534 18261 9181 1 13 . 1 1 45 45 ALA H H 45 8.853 8.853 8.526 0.327 18261 9182 1 13 . 1 1 46 46 GLN N N 46 116.307 116.307 115.721 0.586 18261 9183 1 13 . 1 1 46 46 GLN HA H 46 4.068 4.068 4.119 -0.051 18261 9184 1 13 . 1 1 46 46 GLN C C 46 179.014 179.014 178.326 0.688 18261 9185 1 13 . 1 1 46 46 GLN CA C 46 58.903 58.903 57.133 1.770 18261 9186 1 13 . 1 1 46 46 GLN CB C 46 28.250 28.250 27.677 0.573 18261 9187 1 13 . 1 1 46 46 GLN H H 46 8.238 8.238 8.123 0.115 18261 9188 1 13 . 1 1 47 47 SER N N 47 115.959 115.959 116.457 -0.498 18261 9189 1 13 . 1 1 47 47 SER HA H 47 4.261 4.261 4.221 0.040 18261 9190 1 13 . 1 1 47 47 SER C C 47 177.483 177.483 175.909 1.574 18261 9191 1 13 . 1 1 47 47 SER CA C 47 61.526 61.526 61.374 0.152 18261 9192 1 13 . 1 1 47 47 SER CB C 47 62.842 62.842 62.773 0.069 18261 9193 1 13 . 1 1 47 47 SER H H 47 8.223 8.223 7.726 0.497 18261 9194 1 13 . 1 1 48 48 MET N N 48 121.963 121.963 118.571 3.392 18261 9195 1 13 . 1 1 48 48 MET HA H 48 4.110 4.110 4.383 -0.273 18261 9196 1 13 . 1 1 48 48 MET C C 48 177.798 177.798 178.218 -0.420 18261 9197 1 13 . 1 1 48 48 MET CA C 48 57.531 57.531 57.484 0.047 18261 9198 1 13 . 1 1 48 48 MET CB C 48 31.169 31.169 31.931 -0.762 18261 9199 1 13 . 1 1 48 48 MET H H 48 8.245 8.245 7.443 0.802 18261 9200 1 13 . 1 1 49 49 VAL N N 49 119.045 119.045 121.580 -2.535 18261 9201 1 13 . 1 1 49 49 VAL HA H 49 3.300 3.300 3.553 -0.253 18261 9202 1 13 . 1 1 49 49 VAL C C 49 177.910 177.910 178.362 -0.452 18261 9203 1 13 . 1 1 49 49 VAL CA C 49 67.811 67.811 66.275 1.536 18261 9204 1 13 . 1 1 49 49 VAL CB C 49 31.370 31.370 31.240 0.130 18261 9205 1 13 . 1 1 49 49 VAL H H 49 7.809 7.809 7.517 0.292 18261 9206 1 13 . 1 1 50 50 GLN N N 50 118.357 118.357 117.626 0.731 18261 9207 1 13 . 1 1 50 50 GLN HA H 50 4.091 4.091 4.118 -0.027 18261 9208 1 13 . 1 1 50 50 GLN C C 50 179.449 179.449 178.658 0.791 18261 9209 1 13 . 1 1 50 50 GLN CA C 50 59.056 59.056 57.842 1.214 18261 9210 1 13 . 1 1 50 50 GLN CB C 50 28.020 28.020 27.673 0.347 18261 9211 1 13 . 1 1 50 50 GLN H H 50 8.225 8.225 8.423 -0.198 18261 9212 1 13 . 1 1 51 51 SER N N 51 117.253 117.253 116.517 0.736 18261 9213 1 13 . 1 1 51 51 SER HA H 51 4.235 4.235 4.273 -0.038 18261 9214 1 13 . 1 1 51 51 SER C C 51 176.374 176.374 176.240 0.134 18261 9215 1 13 . 1 1 51 51 SER CA C 51 62.752 62.752 61.331 1.421 18261 9216 1 13 . 1 1 51 51 SER CB C 51 62.963 62.963 62.575 0.389 18261 9217 1 13 . 1 1 51 51 SER H H 51 8.328 8.328 7.452 0.876 18261 9218 1 13 . 1 1 52 52 ILE N N 52 123.114 123.114 122.580 0.534 18261 9219 1 13 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.604 -0.005 18261 9220 1 13 . 1 1 52 52 ILE C C 52 178.684 178.684 177.498 1.186 18261 9221 1 13 . 1 1 52 52 ILE CA C 52 64.736 64.736 65.078 -0.342 18261 9222 1 13 . 1 1 52 52 ILE CB C 52 37.838 37.838 37.223 0.615 18261 9223 1 13 . 1 1 52 52 ILE H H 52 8.147 8.147 7.509 0.638 18261 9224 1 13 . 1 1 53 53 GLN N N 53 120.011 120.011 118.887 1.124 18261 9225 1 13 . 1 1 53 53 GLN HA H 53 3.946 3.946 3.934 0.012 18261 9226 1 13 . 1 1 53 53 GLN C C 53 179.014 179.014 178.368 0.646 18261 9227 1 13 . 1 1 53 53 GLN CA C 53 59.501 59.501 59.093 0.408 18261 9228 1 13 . 1 1 53 53 GLN CB C 53 27.901 27.901 27.936 -0.035 18261 9229 1 13 . 1 1 53 53 GLN H H 53 8.583 8.583 8.037 0.546 18261 9230 1 13 . 1 1 54 54 SER N N 54 115.479 115.479 114.787 0.692 18261 9231 1 13 . 1 1 54 54 SER HA H 54 4.302 4.302 4.336 -0.034 18261 9232 1 13 . 1 1 54 54 SER C C 54 176.822 176.822 176.481 0.341 18261 9233 1 13 . 1 1 54 54 SER CA C 54 61.492 61.492 60.617 0.875 18261 9234 1 13 . 1 1 54 54 SER CB C 54 62.880 62.880 63.062 -0.182 18261 9235 1 13 . 1 1 54 54 SER H H 54 8.271 8.271 7.617 0.654 18261 9236 1 13 . 1 1 55 55 LEU N N 55 121.519 121.519 123.766 -2.247 18261 9237 1 13 . 1 1 55 55 LEU HA H 55 4.068 4.068 3.998 0.070 18261 9238 1 13 . 1 1 55 55 LEU C C 55 179.434 179.434 177.719 1.715 18261 9239 1 13 . 1 1 55 55 LEU CA C 55 57.793 57.793 58.189 -0.396 18261 9240 1 13 . 1 1 55 55 LEU CB C 55 42.245 42.245 41.712 0.533 18261 9241 1 13 . 1 1 55 55 LEU H H 55 7.974 7.974 7.912 0.062 18261 9242 1 13 . 1 1 56 56 ALA N N 56 121.040 121.040 118.406 2.634 18261 9243 1 13 . 1 1 56 56 ALA HA H 56 4.228 4.228 4.563 -0.335 18261 9244 1 13 . 1 1 56 56 ALA C C 56 180.530 180.530 178.326 2.204 18261 9245 1 13 . 1 1 56 56 ALA CA C 56 54.331 54.331 53.410 0.921 18261 9246 1 13 . 1 1 56 56 ALA CB C 56 18.075 18.075 18.811 -0.735 18261 9247 1 13 . 1 1 56 56 ALA H H 56 8.032 8.032 8.186 -0.154 18261 9248 1 13 . 1 1 57 57 ALA N N 57 121.325 121.325 120.304 1.021 18261 9249 1 13 . 1 1 57 57 ALA HA H 57 4.219 4.219 4.330 -0.111 18261 9250 1 13 . 1 1 57 57 ALA C C 57 179.344 179.344 179.023 0.321 18261 9251 1 13 . 1 1 57 57 ALA CA C 57 54.446 54.446 53.824 0.622 18261 9252 1 13 . 1 1 57 57 ALA CB C 57 18.470 18.470 19.266 -0.796 18261 9253 1 13 . 1 1 57 57 ALA H H 57 8.030 8.030 7.376 0.654 18261 9254 1 13 . 1 1 58 58 GLN N N 58 114.257 114.257 117.177 -2.920 18261 9255 1 13 . 1 1 58 58 GLN HA H 58 4.356 4.356 4.366 -0.010 18261 9256 1 13 . 1 1 58 58 GLN C C 58 176.612 176.612 176.446 0.166 18261 9257 1 13 . 1 1 58 58 GLN CA C 58 55.957 55.957 55.610 0.347 18261 9258 1 13 . 1 1 58 58 GLN CB C 58 29.767 29.767 29.469 0.298 18261 9259 1 13 . 1 1 58 58 GLN H H 58 7.751 7.751 8.429 -0.678 18261 9260 1 13 . 1 1 59 59 GLY N N 59 108.304 108.304 108.021 0.283 18261 9261 1 13 . 1 1 59 59 GLY C C 59 174.856 174.856 174.713 0.143 18261 9262 1 13 . 1 1 59 59 GLY CA C 59 46.197 46.197 45.455 0.742 18261 9263 1 13 . 1 1 59 59 GLY H H 59 7.910 7.910 7.824 0.086 18261 9264 1 13 . 1 1 60 60 ARG N N 60 118.258 118.258 117.141 1.117 18261 9265 1 13 . 1 1 60 60 ARG HA H 60 4.553 4.553 4.460 0.093 18261 9266 1 13 . 1 1 60 60 ARG C C 60 175.847 175.847 175.816 0.031 18261 9267 1 13 . 1 1 60 60 ARG CA C 60 55.658 55.658 54.608 1.050 18261 9268 1 13 . 1 1 60 60 ARG CB C 60 31.714 31.714 30.979 0.735 18261 9269 1 13 . 1 1 60 60 ARG H H 60 8.108 8.108 8.000 0.108 18261 9270 1 13 . 1 1 61 61 THR N N 61 115.924 115.924 118.441 -2.517 18261 9271 1 13 . 1 1 61 61 THR HA H 61 4.785 4.785 4.207 0.578 18261 9272 1 13 . 1 1 61 61 THR C C 61 173.654 173.654 173.949 -0.295 18261 9273 1 13 . 1 1 61 61 THR CA C 61 63.140 63.140 63.973 -0.833 18261 9274 1 13 . 1 1 61 61 THR CB C 61 68.602 68.602 68.468 0.134 18261 9275 1 13 . 1 1 61 61 THR H H 61 7.970 7.970 7.912 0.058 18261 9276 1 13 . 1 1 62 62 SER N N 62 119.666 119.666 123.130 -3.464 18261 9277 1 13 . 1 1 62 62 SER HA H 62 4.902 4.902 4.962 -0.060 18261 9278 1 13 . 1 1 62 62 SER C C 62 173.207 173.207 173.591 -0.384 18261 9279 1 13 . 1 1 62 62 SER CA C 62 56.193 56.193 55.173 1.020 18261 9280 1 13 . 1 1 62 62 SER CB C 62 63.781 63.781 63.843 -0.062 18261 9281 1 13 . 1 1 62 62 SER H H 62 7.788 7.788 7.819 -0.031 18261 9282 1 13 . 1 1 63 63 PRO HA H 63 4.313 4.313 4.159 0.154 18261 9283 1 13 . 1 1 63 63 PRO CA C 63 65.746 65.746 65.786 -0.040 18261 9284 1 13 . 1 1 63 63 PRO CB C 63 32.147 32.147 31.961 0.186 18261 9285 1 13 . 1 1 64 64 ASN HA H 64 4.550 4.550 4.432 0.118 18261 9286 1 13 . 1 1 64 64 ASN CA C 64 56.202 56.202 56.184 0.018 18261 9287 1 13 . 1 1 64 64 ASN CB C 64 38.000 38.000 38.395 -0.395 18261 9288 1 13 . 1 1 65 65 LYS N N 65 120.530 120.530 119.890 0.640 18261 9289 1 13 . 1 1 65 65 LYS HA H 65 4.197 4.197 4.068 0.129 18261 9290 1 13 . 1 1 65 65 LYS C C 65 178.999 178.999 178.953 0.046 18261 9291 1 13 . 1 1 65 65 LYS CA C 65 58.250 58.250 59.072 -0.822 18261 9292 1 13 . 1 1 65 65 LYS CB C 65 32.498 32.498 32.429 0.069 18261 9293 1 13 . 1 1 65 65 LYS H H 65 7.770 7.770 7.607 0.163 18261 9294 1 13 . 1 1 66 66 LEU N N 66 118.804 118.804 120.369 -1.565 18261 9295 1 13 . 1 1 66 66 LEU HA H 66 4.070 4.070 4.038 0.032 18261 9296 1 13 . 1 1 66 66 LEU C C 66 178.928 178.928 179.173 -0.245 18261 9297 1 13 . 1 1 66 66 LEU CA C 66 57.928 57.928 57.913 0.015 18261 9298 1 13 . 1 1 66 66 LEU CB C 66 41.329 41.329 41.597 -0.268 18261 9299 1 13 . 1 1 66 66 LEU H H 66 7.932 7.932 8.190 -0.258 18261 9300 1 13 . 1 1 67 67 GLN N N 67 119.307 119.307 118.871 0.436 18261 9301 1 13 . 1 1 67 67 GLN HA H 67 4.224 4.224 4.003 0.221 18261 9302 1 13 . 1 1 67 67 GLN C C 67 178.789 178.789 178.247 0.542 18261 9303 1 13 . 1 1 67 67 GLN CA C 67 58.862 58.862 59.194 -0.332 18261 9304 1 13 . 1 1 67 67 GLN CB C 67 28.052 28.052 28.750 -0.698 18261 9305 1 13 . 1 1 67 67 GLN H H 67 8.160 8.160 8.632 -0.472 18261 9306 1 13 . 1 1 68 68 ALA N N 68 122.124 122.124 122.573 -0.449 18261 9307 1 13 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.144 0.046 18261 9308 1 13 . 1 1 68 68 ALA C C 68 180.320 180.320 179.557 0.763 18261 9309 1 13 . 1 1 68 68 ALA CA C 68 55.282 55.282 54.965 0.317 18261 9310 1 13 . 1 1 68 68 ALA CB C 68 18.251 18.251 18.471 -0.220 18261 9311 1 13 . 1 1 68 68 ALA H H 68 7.844 7.844 7.545 0.299 18261 9312 1 13 . 1 1 69 69 LEU N N 69 119.481 119.481 118.603 0.878 18261 9313 1 13 . 1 1 69 69 LEU HA H 69 3.912 3.912 3.729 0.183 18261 9314 1 13 . 1 1 69 69 LEU C C 69 178.864 178.864 178.843 0.021 18261 9315 1 13 . 1 1 69 69 LEU CA C 69 57.904 57.904 57.911 -0.007 18261 9316 1 13 . 1 1 69 69 LEU CB C 69 41.052 41.052 40.872 0.180 18261 9317 1 13 . 1 1 69 69 LEU H H 69 7.819 7.819 8.540 -0.721 18261 9318 1 13 . 1 1 70 70 ASN N N 70 119.633 119.633 118.438 1.195 18261 9319 1 13 . 1 1 70 70 ASN HA H 70 4.553 4.553 4.722 -0.169 18261 9320 1 13 . 1 1 70 70 ASN C C 70 177.483 177.483 177.768 -0.285 18261 9321 1 13 . 1 1 70 70 ASN CA C 70 57.125 57.125 56.993 0.132 18261 9322 1 13 . 1 1 70 70 ASN CB C 70 38.392 38.392 38.651 -0.259 18261 9323 1 13 . 1 1 70 70 ASN H H 70 8.265 8.265 8.213 0.052 18261 9324 1 13 . 1 1 71 71 MET N N 71 118.024 118.024 119.431 -1.407 18261 9325 1 13 . 1 1 71 71 MET HA H 71 4.201 4.201 4.332 -0.131 18261 9326 1 13 . 1 1 71 71 MET C C 71 178.279 178.279 178.513 -0.234 18261 9327 1 13 . 1 1 71 71 MET CA C 71 59.445 59.445 59.081 0.364 18261 9328 1 13 . 1 1 71 71 MET CB C 71 32.313 32.313 32.716 -0.403 18261 9329 1 13 . 1 1 71 71 MET H H 71 8.098 8.098 7.562 0.536 18261 9330 1 13 . 1 1 72 72 ARG N N 72 121.985 121.985 119.604 2.381 18261 9331 1 13 . 1 1 72 72 ARG HA H 72 3.981 3.981 4.051 -0.070 18261 9332 1 13 . 1 1 72 72 ARG C C 72 179.059 179.059 179.372 -0.313 18261 9333 1 13 . 1 1 72 72 ARG CA C 72 59.058 59.058 57.725 1.333 18261 9334 1 13 . 1 1 72 72 ARG CB C 72 30.120 30.120 29.057 1.063 18261 9335 1 13 . 1 1 72 72 ARG H H 72 8.292 8.292 8.554 -0.262 18261 9336 1 13 . 1 1 73 73 PHE N N 73 122.085 122.085 122.137 -0.052 18261 9337 1 13 . 1 1 73 73 PHE HA H 73 4.529 4.529 4.136 0.393 18261 9338 1 13 . 1 1 73 73 PHE C C 73 177.258 177.258 176.956 0.302 18261 9339 1 13 . 1 1 73 73 PHE CA C 73 59.248 59.248 60.389 -1.141 18261 9340 1 13 . 1 1 73 73 PHE CB C 73 39.527 39.527 38.608 0.920 18261 9341 1 13 . 1 1 73 73 PHE H H 73 8.703 8.703 8.645 0.058 18261 9342 1 13 . 1 1 74 74 ALA N N 74 119.273 119.273 121.255 -1.982 18261 9343 1 13 . 1 1 74 74 ALA HA H 74 3.764 3.764 3.584 0.180 18261 9344 1 13 . 1 1 74 74 ALA C C 74 179.374 179.374 179.275 0.099 18261 9345 1 13 . 1 1 74 74 ALA CA C 74 55.324 55.324 55.029 0.295 18261 9346 1 13 . 1 1 74 74 ALA CB C 74 20.509 20.509 18.295 2.214 18261 9347 1 13 . 1 1 74 74 ALA H H 74 8.598 8.598 7.942 0.656 18261 9348 1 13 . 1 1 75 75 SER N N 75 113.611 113.611 112.053 1.558 18261 9349 1 13 . 1 1 75 75 SER HA H 75 3.636 3.636 4.104 -0.468 18261 9350 1 13 . 1 1 75 75 SER CA C 75 61.936 61.936 60.419 1.517 18261 9351 1 13 . 1 1 75 75 SER CB C 75 61.869 61.869 61.981 -0.112 18261 9352 1 13 . 1 1 75 75 SER H H 75 8.780 8.780 8.050 0.730 18261 9353 1 13 . 1 1 76 76 SER N N 76 119.013 119.013 119.289 -0.276 18261 9354 1 13 . 1 1 76 76 SER HA H 76 4.310 4.310 4.174 0.136 18261 9355 1 13 . 1 1 76 76 SER CA C 76 62.536 62.536 61.391 1.145 18261 9356 1 13 . 1 1 76 76 SER CB C 76 62.943 62.943 62.574 0.369 18261 9357 1 13 . 1 1 76 76 SER H H 76 8.210 8.210 7.639 0.571 18261 9358 1 13 . 1 1 77 77 MET N N 77 120.105 120.105 121.566 -1.461 18261 9359 1 13 . 1 1 77 77 MET HA H 77 4.027 4.027 4.167 -0.140 18261 9360 1 13 . 1 1 77 77 MET C C 77 178.354 178.354 177.927 0.427 18261 9361 1 13 . 1 1 77 77 MET CA C 77 59.954 59.954 57.958 1.996 18261 9362 1 13 . 1 1 77 77 MET CB C 77 34.616 34.616 31.820 2.796 18261 9363 1 13 . 1 1 77 77 MET H H 77 8.005 8.005 7.326 0.679 18261 9364 1 13 . 1 1 78 78 ALA N N 78 121.530 121.530 123.061 -1.531 18261 9365 1 13 . 1 1 78 78 ALA HA H 78 3.933 3.933 4.058 -0.125 18261 9366 1 13 . 1 1 78 78 ALA C C 78 178.354 178.354 179.826 -1.472 18261 9367 1 13 . 1 1 78 78 ALA CA C 78 55.427 55.427 55.490 -0.063 18261 9368 1 13 . 1 1 78 78 ALA CB C 78 20.344 20.344 17.884 2.460 18261 9369 1 13 . 1 1 78 78 ALA H H 78 8.550 8.550 7.634 0.916 18261 9370 1 13 . 1 1 79 79 GLU N N 79 117.137 117.137 117.752 -0.615 18261 9371 1 13 . 1 1 79 79 GLU HA H 79 3.919 3.919 4.072 -0.153 18261 9372 1 13 . 1 1 79 79 GLU C C 79 178.894 178.894 178.635 0.259 18261 9373 1 13 . 1 1 79 79 GLU CA C 79 59.445 59.445 59.215 0.230 18261 9374 1 13 . 1 1 79 79 GLU CB C 79 29.895 29.895 29.509 0.386 18261 9375 1 13 . 1 1 79 79 GLU H H 79 7.737 7.737 8.027 -0.290 18261 9376 1 13 . 1 1 80 80 ILE N N 80 118.063 118.063 118.211 -0.148 18261 9377 1 13 . 1 1 80 80 ILE HA H 80 3.932 3.932 4.009 -0.077 18261 9378 1 13 . 1 1 80 80 ILE C C 80 179.014 179.014 178.327 0.687 18261 9379 1 13 . 1 1 80 80 ILE CA C 80 63.727 63.727 64.186 -0.459 18261 9380 1 13 . 1 1 80 80 ILE CB C 80 38.208 38.208 38.362 -0.154 18261 9381 1 13 . 1 1 80 80 ILE H H 80 7.239 7.239 7.225 0.014 18261 9382 1 13 . 1 1 81 81 ALA N N 81 121.494 121.494 122.608 -1.114 18261 9383 1 13 . 1 1 81 81 ALA HA H 81 3.961 3.961 4.392 -0.431 18261 9384 1 13 . 1 1 81 81 ALA C C 81 177.258 177.258 178.599 -1.341 18261 9385 1 13 . 1 1 81 81 ALA CA C 81 54.668 54.668 54.337 0.331 18261 9386 1 13 . 1 1 81 81 ALA CB C 81 17.887 17.887 18.664 -0.777 18261 9387 1 13 . 1 1 81 81 ALA H H 81 8.495 8.495 8.636 -0.141 18261 9388 1 13 . 1 1 82 82 ALA N N 82 116.416 116.416 119.046 -2.630 18261 9389 1 13 . 1 1 82 82 ALA HA H 82 4.316 4.316 4.111 0.205 18261 9390 1 13 . 1 1 82 82 ALA C C 82 177.693 177.693 177.657 0.036 18261 9391 1 13 . 1 1 82 82 ALA CA C 82 52.630 52.630 53.265 -0.635 18261 9392 1 13 . 1 1 82 82 ALA CB C 82 19.224 19.224 18.922 0.302 18261 9393 1 13 . 1 1 82 82 ALA H H 82 8.034 8.034 7.813 0.221 18261 9394 1 13 . 1 1 83 83 SER N N 83 112.672 112.672 115.188 -2.516 18261 9395 1 13 . 1 1 83 83 SER HA H 83 4.299 4.299 4.459 -0.160 18261 9396 1 13 . 1 1 83 83 SER C C 83 174.856 174.856 175.383 -0.527 18261 9397 1 13 . 1 1 83 83 SER CA C 83 59.329 59.329 56.682 2.647 18261 9398 1 13 . 1 1 83 83 SER CB C 83 63.943 63.943 62.321 1.623 18261 9399 1 13 . 1 1 83 83 SER H H 83 7.437 7.437 7.657 -0.220 18261 9400 1 13 . 1 1 84 84 GLU N N 84 122.890 122.890 127.728 -4.838 18261 9401 1 13 . 1 1 84 84 GLU HA H 84 4.420 4.420 4.001 0.419 18261 9402 1 13 . 1 1 84 84 GLU C C 84 176.597 176.597 178.056 -1.459 18261 9403 1 13 . 1 1 84 84 GLU CA C 84 56.586 56.586 58.983 -2.397 18261 9404 1 13 . 1 1 84 84 GLU CB C 84 30.648 30.648 29.195 1.453 18261 9405 1 13 . 1 1 84 84 GLU H H 84 8.245 8.245 8.444 -0.199 18261 9406 1 13 . 1 1 85 85 GLU N N 85 122.062 122.062 120.005 2.057 18261 9407 1 13 . 1 1 85 85 GLU HA H 85 4.285 4.285 4.072 0.213 18261 9408 1 13 . 1 1 85 85 GLU C C 85 177.258 177.258 178.441 -1.183 18261 9409 1 13 . 1 1 85 85 GLU CA C 85 57.128 57.128 57.616 -0.488 18261 9410 1 13 . 1 1 85 85 GLU CB C 85 30.121 30.121 29.094 1.027 18261 9411 1 13 . 1 1 85 85 GLU H H 85 8.477 8.477 8.441 0.036 18261 9412 1 13 . 1 1 86 86 GLY N N 86 110.431 110.431 104.407 6.024 18261 9413 1 13 . 1 1 86 86 GLY C C 86 174.856 174.856 174.155 0.701 18261 9414 1 13 . 1 1 86 86 GLY CA C 86 45.654 45.654 45.369 0.285 18261 9415 1 13 . 1 1 86 86 GLY H H 86 8.563 8.563 8.100 0.463 18261 9416 1 13 . 1 1 87 87 GLY N N 87 108.508 108.508 106.355 2.153 18261 9417 1 13 . 1 1 87 87 GLY C C 87 174.436 174.436 174.283 0.153 18261 9418 1 13 . 1 1 87 87 GLY CA C 87 45.396 45.396 44.843 0.553 18261 9419 1 13 . 1 1 87 87 GLY H H 87 8.274 8.274 7.595 0.679 18261 9420 1 13 . 1 1 88 88 GLY N N 88 107.821 107.821 109.924 -2.103 18261 9421 1 13 . 1 1 88 88 GLY C C 88 173.325 173.325 174.021 -0.696 18261 9422 1 13 . 1 1 88 88 GLY CA C 88 44.814 44.814 45.627 -0.813 18261 9423 1 13 . 1 1 88 88 GLY H H 88 8.105 8.105 8.263 -0.158 18261 9424 1 13 . 1 1 89 89 SER N N 89 115.747 115.747 116.176 -0.429 18261 9425 1 13 . 1 1 89 89 SER HA H 89 4.582 4.582 4.548 0.034 18261 9426 1 13 . 1 1 89 89 SER C C 89 175.066 175.066 175.389 -0.323 18261 9427 1 13 . 1 1 89 89 SER CA C 89 57.256 57.256 56.426 0.830 18261 9428 1 13 . 1 1 89 89 SER CB C 89 65.130 65.130 64.185 0.945 18261 9429 1 13 . 1 1 89 89 SER H H 89 8.476 8.476 7.808 0.668 18261 9430 1 13 . 1 1 90 90 LEU N N 90 124.735 124.735 125.245 -0.510 18261 9431 1 13 . 1 1 90 90 LEU HA H 90 4.106 4.106 4.503 -0.397 18261 9432 1 13 . 1 1 90 90 LEU C C 90 179.434 179.434 177.444 1.990 18261 9433 1 13 . 1 1 90 90 LEU CA C 90 58.434 58.434 56.570 1.864 18261 9434 1 13 . 1 1 90 90 LEU CB C 90 41.377 41.377 42.924 -1.547 18261 9435 1 13 . 1 1 90 90 LEU H H 90 8.860 8.860 8.657 0.203 18261 9436 1 13 . 1 1 91 91 SER N N 91 113.851 113.851 115.358 -1.507 18261 9437 1 13 . 1 1 91 91 SER C C 91 177.325 177.325 176.219 1.106 18261 9438 1 13 . 1 1 91 91 SER CA C 91 61.261 61.261 61.173 0.088 18261 9439 1 13 . 1 1 91 91 SER CB C 91 62.010 62.010 62.619 -0.609 18261 9440 1 13 . 1 1 91 91 SER H H 91 8.537 8.537 7.975 0.562 18261 9441 1 13 . 1 1 92 92 THR N N 92 120.889 120.889 118.521 2.368 18261 9442 1 13 . 1 1 92 92 THR HA H 92 3.993 3.993 4.037 -0.044 18261 9443 1 13 . 1 1 92 92 THR C C 92 176.162 176.162 176.408 -0.246 18261 9444 1 13 . 1 1 92 92 THR CA C 92 66.467 66.467 66.800 -0.333 18261 9445 1 13 . 1 1 92 92 THR CB C 92 68.285 68.285 68.540 -0.255 18261 9446 1 13 . 1 1 92 92 THR H H 92 7.795 7.795 7.718 0.077 18261 9447 1 13 . 1 1 93 93 LYS N N 93 120.210 120.210 122.024 -1.814 18261 9448 1 13 . 1 1 93 93 LYS HA H 93 3.798 3.798 4.008 -0.210 18261 9449 1 13 . 1 1 93 93 LYS CA C 93 61.044 61.044 59.774 1.270 18261 9450 1 13 . 1 1 93 93 LYS CB C 93 33.470 33.470 32.230 1.240 18261 9451 1 13 . 1 1 93 93 LYS H H 93 8.098 8.098 7.264 0.834 18261 9452 1 13 . 1 1 94 94 THR N N 94 111.485 111.485 113.218 -1.733 18261 9453 1 13 . 1 1 94 94 THR HA H 94 3.936 3.936 4.095 -0.159 18261 9454 1 13 . 1 1 94 94 THR C C 94 177.033 177.033 177.171 -0.138 18261 9455 1 13 . 1 1 94 94 THR CA C 94 66.974 66.974 66.247 0.727 18261 9456 1 13 . 1 1 94 94 THR CB C 94 68.013 68.013 68.502 -0.489 18261 9457 1 13 . 1 1 94 94 THR H H 94 8.891 8.891 8.100 0.791 18261 9458 1 13 . 1 1 95 95 SER N N 95 118.938 118.938 117.889 1.049 18261 9459 1 13 . 1 1 95 95 SER HA H 95 4.394 4.394 4.228 0.166 18261 9460 1 13 . 1 1 95 95 SER C C 95 177.828 177.828 176.642 1.186 18261 9461 1 13 . 1 1 95 95 SER CA C 95 61.990 61.990 62.228 -0.238 18261 9462 1 13 . 1 1 95 95 SER CB C 95 62.580 62.580 63.020 -0.440 18261 9463 1 13 . 1 1 95 95 SER H H 95 8.118 8.118 7.870 0.248 18261 9464 1 13 . 1 1 96 96 SER N N 96 121.520 121.520 118.188 3.332 18261 9465 1 13 . 1 1 96 96 SER HA H 96 4.457 4.457 4.308 0.149 18261 9466 1 13 . 1 1 96 96 SER CA C 96 62.695 62.695 61.593 1.103 18261 9467 1 13 . 1 1 96 96 SER CB C 96 62.796 62.796 62.991 -0.195 18261 9468 1 13 . 1 1 96 96 SER H H 96 8.603 8.603 7.656 0.947 18261 9469 1 13 . 1 1 97 97 ILE N N 97 122.420 122.420 124.253 -1.833 18261 9470 1 13 . 1 1 97 97 ILE HA H 97 3.792 3.792 3.830 -0.038 18261 9471 1 13 . 1 1 97 97 ILE C C 97 177.693 177.693 177.940 -0.247 18261 9472 1 13 . 1 1 97 97 ILE CA C 97 66.722 66.722 65.837 0.885 18261 9473 1 13 . 1 1 97 97 ILE CB C 97 38.645 38.645 37.717 0.928 18261 9474 1 13 . 1 1 97 97 ILE H H 97 8.516 8.516 8.596 -0.080 18261 9475 1 13 . 1 1 98 98 ALA N N 98 122.031 122.031 121.232 0.799 18261 9476 1 13 . 1 1 98 98 ALA HA H 98 4.063 4.063 4.098 -0.035 18261 9477 1 13 . 1 1 98 98 ALA C C 98 180.740 180.740 179.691 1.049 18261 9478 1 13 . 1 1 98 98 ALA CA C 98 56.158 56.158 55.310 0.848 18261 9479 1 13 . 1 1 98 98 ALA CB C 98 18.347 18.347 18.073 0.275 18261 9480 1 13 . 1 1 98 98 ALA H H 98 8.437 8.437 7.872 0.565 18261 9481 1 13 . 1 1 99 99 SER N N 99 115.676 115.676 114.846 0.830 18261 9482 1 13 . 1 1 99 99 SER HA H 99 4.369 4.369 4.246 0.123 18261 9483 1 13 . 1 1 99 99 SER C C 99 177.168 177.168 176.594 0.574 18261 9484 1 13 . 1 1 99 99 SER CA C 99 61.959 61.959 61.041 0.918 18261 9485 1 13 . 1 1 99 99 SER CB C 99 63.160 63.160 62.852 0.308 18261 9486 1 13 . 1 1 99 99 SER H H 99 8.611 8.611 7.795 0.816 18261 9487 1 13 . 1 1 100 100 ALA N N 100 124.275 124.275 124.139 0.136 18261 9488 1 13 . 1 1 100 100 ALA HA H 100 4.243 4.243 3.999 0.244 18261 9489 1 13 . 1 1 100 100 ALA C C 100 181.851 181.851 179.373 2.478 18261 9490 1 13 . 1 1 100 100 ALA CA C 100 55.321 55.321 54.998 0.323 18261 9491 1 13 . 1 1 100 100 ALA CB C 100 18.479 18.479 18.177 0.301 18261 9492 1 13 . 1 1 100 100 ALA H H 100 8.973 8.973 8.309 0.664 18261 9493 1 13 . 1 1 101 101 MET N N 101 118.986 118.986 118.986 0.000 18261 9494 1 13 . 1 1 101 101 MET HA H 101 4.063 4.063 4.272 -0.209 18261 9495 1 13 . 1 1 101 101 MET C C 101 177.483 177.483 178.314 -0.831 18261 9496 1 13 . 1 1 101 101 MET CA C 101 60.999 60.999 59.785 1.214 18261 9497 1 13 . 1 1 101 101 MET CB C 101 34.583 34.583 33.080 1.503 18261 9498 1 13 . 1 1 101 101 MET H H 101 9.072 9.072 8.741 0.331 18261 9499 1 13 . 1 1 102 102 SER N N 102 116.650 116.650 115.150 1.500 18261 9500 1 13 . 1 1 102 102 SER HA H 102 4.370 4.370 4.264 0.106 18261 9501 1 13 . 1 1 102 102 SER C C 102 176.357 176.357 176.782 -0.425 18261 9502 1 13 . 1 1 102 102 SER CA C 102 63.278 63.278 62.231 1.047 18261 9503 1 13 . 1 1 102 102 SER CB C 102 62.523 62.523 63.198 -0.675 18261 9504 1 13 . 1 1 102 102 SER H H 102 8.673 8.673 8.342 0.331 18261 9505 1 13 . 1 1 103 103 ASN N N 103 118.060 118.060 120.383 -2.323 18261 9506 1 13 . 1 1 103 103 ASN HA H 103 4.477 4.477 4.526 -0.049 18261 9507 1 13 . 1 1 103 103 ASN C C 103 176.603 176.603 177.501 -0.898 18261 9508 1 13 . 1 1 103 103 ASN CA C 103 56.564 56.564 55.915 0.649 18261 9509 1 13 . 1 1 103 103 ASN CB C 103 38.362 38.362 38.346 0.016 18261 9510 1 13 . 1 1 103 103 ASN H H 103 8.098 8.098 7.954 0.144 18261 9511 1 13 . 1 1 104 104 ALA N N 104 122.235 122.235 122.479 -0.244 18261 9512 1 13 . 1 1 104 104 ALA HA H 104 4.255 4.255 4.185 0.070 18261 9513 1 13 . 1 1 104 104 ALA C C 104 181.701 181.701 180.364 1.337 18261 9514 1 13 . 1 1 104 104 ALA CA C 104 54.815 54.815 54.676 0.139 18261 9515 1 13 . 1 1 104 104 ALA CB C 104 18.177 18.177 18.246 -0.069 18261 9516 1 13 . 1 1 104 104 ALA H H 104 7.919 7.919 8.099 -0.180 18261 9517 1 13 . 1 1 105 105 PHE N N 105 119.159 119.159 120.476 -1.317 18261 9518 1 13 . 1 1 105 105 PHE HA H 105 4.401 4.401 4.741 -0.340 18261 9519 1 13 . 1 1 105 105 PHE C C 105 179.224 179.224 177.703 1.521 18261 9520 1 13 . 1 1 105 105 PHE CA C 105 63.744 63.744 59.882 3.862 18261 9521 1 13 . 1 1 105 105 PHE CB C 105 39.417 39.417 39.621 -0.204 18261 9522 1 13 . 1 1 105 105 PHE H H 105 8.615 8.615 8.241 0.374 18261 9523 1 13 . 1 1 106 106 LEU N N 106 121.765 121.765 117.683 4.082 18261 9524 1 13 . 1 1 106 106 LEU HA H 106 3.741 3.741 4.013 -0.272 18261 9525 1 13 . 1 1 106 106 LEU C C 106 179.074 179.074 178.739 0.335 18261 9526 1 13 . 1 1 106 106 LEU CA C 106 59.086 59.086 57.681 1.405 18261 9527 1 13 . 1 1 106 106 LEU CB C 106 41.265 41.265 41.660 -0.395 18261 9528 1 13 . 1 1 106 106 LEU H H 106 8.259 8.259 7.972 0.287 18261 9529 1 13 . 1 1 107 107 GLN N N 107 114.755 114.755 116.478 -1.723 18261 9530 1 13 . 1 1 107 107 GLN HA H 107 4.189 4.189 4.319 -0.130 18261 9531 1 13 . 1 1 107 107 GLN C C 107 176.822 176.822 177.377 -0.555 18261 9532 1 13 . 1 1 107 107 GLN CA C 107 57.461 57.461 57.646 -0.185 18261 9533 1 13 . 1 1 107 107 GLN CB C 107 29.393 29.393 28.613 0.780 18261 9534 1 13 . 1 1 107 107 GLN H H 107 8.176 8.176 7.862 0.314 18261 9535 1 13 . 1 1 108 108 THR N N 108 108.074 108.074 109.839 -1.765 18261 9536 1 13 . 1 1 108 108 THR HA H 108 4.517 4.517 4.458 0.059 18261 9537 1 13 . 1 1 108 108 THR C C 108 175.952 175.952 175.721 0.231 18261 9538 1 13 . 1 1 108 108 THR CA C 108 62.526 62.526 63.462 -0.936 18261 9539 1 13 . 1 1 108 108 THR CB C 108 70.320 70.320 70.376 -0.056 18261 9540 1 13 . 1 1 108 108 THR H H 108 7.740 7.740 7.598 0.142 18261 9541 1 13 . 1 1 109 109 THR N N 109 113.029 113.029 113.371 -0.342 18261 9542 1 13 . 1 1 109 109 THR HA H 109 4.620 4.620 4.322 0.298 18261 9543 1 13 . 1 1 109 109 THR C C 109 176.162 176.162 174.652 1.510 18261 9544 1 13 . 1 1 109 109 THR CA C 109 62.255 62.255 61.660 0.595 18261 9545 1 13 . 1 1 109 109 THR CB C 109 70.768 70.768 69.492 1.276 18261 9546 1 13 . 1 1 109 109 THR H H 109 8.869 8.869 7.686 1.183 18261 9547 1 13 . 1 1 110 110 GLY N N 110 109.433 109.433 110.972 -1.539 18261 9548 1 13 . 1 1 110 110 GLY C C 110 172.889 172.889 173.320 -0.431 18261 9549 1 13 . 1 1 110 110 GLY CA C 110 45.555 45.555 45.958 -0.403 18261 9550 1 13 . 1 1 110 110 GLY H H 110 8.298 8.298 7.730 0.568 18261 9551 1 13 . 1 1 111 111 VAL N N 111 119.167 119.167 118.372 0.795 18261 9552 1 13 . 1 1 111 111 VAL HA H 111 4.266 4.266 4.270 -0.004 18261 9553 1 13 . 1 1 111 111 VAL C C 111 174.421 174.421 174.706 -0.285 18261 9554 1 13 . 1 1 111 111 VAL CA C 111 60.783 60.783 60.091 0.692 18261 9555 1 13 . 1 1 111 111 VAL CB C 111 35.394 35.394 35.329 0.065 18261 9556 1 13 . 1 1 111 111 VAL H H 111 7.786 7.786 7.186 0.600 18261 9557 1 13 . 1 1 112 112 VAL N N 112 124.920 124.920 122.399 2.521 18261 9558 1 13 . 1 1 112 112 VAL HA H 112 3.251 3.251 4.404 -1.153 18261 9559 1 13 . 1 1 112 112 VAL C C 112 174.646 174.646 175.221 -0.575 18261 9560 1 13 . 1 1 112 112 VAL CA C 112 64.409 64.409 61.296 3.113 18261 9561 1 13 . 1 1 112 112 VAL CB C 112 32.626 32.626 32.832 -0.206 18261 9562 1 13 . 1 1 112 112 VAL H H 112 8.721 8.721 8.347 0.374 18261 9563 1 13 . 1 1 113 113 ASN HA H 113 4.505 4.505 4.794 -0.289 18261 9564 1 13 . 1 1 113 113 ASN CA C 113 50.080 50.080 51.683 -1.603 18261 9565 1 13 . 1 1 113 113 ASN CB C 113 36.910 36.910 37.839 -0.929 18261 9566 1 13 . 1 1 114 114 GLN N N 114 123.939 123.939 127.002 -3.063 18261 9567 1 13 . 1 1 114 114 GLN HA H 114 3.944 3.944 4.244 -0.300 18261 9568 1 13 . 1 1 114 114 GLN C C 114 174.811 174.811 174.956 -0.145 18261 9569 1 13 . 1 1 114 114 GLN CA C 114 59.348 59.348 60.364 -1.016 18261 9570 1 13 . 1 1 114 114 GLN CB C 114 26.505 26.505 26.969 -0.464 18261 9571 1 13 . 1 1 114 114 GLN H H 114 8.368 8.368 8.100 0.268 18261 9572 1 13 . 1 1 115 115 PRO HA H 115 4.243 4.243 4.114 0.129 18261 9573 1 13 . 1 1 115 115 PRO CA C 115 66.602 66.602 66.236 0.366 18261 9574 1 13 . 1 1 115 115 PRO CB C 115 31.215 31.215 31.302 -0.087 18261 9575 1 13 . 1 1 116 116 PHE N N 116 117.612 117.612 115.357 2.255 18261 9576 1 13 . 1 1 116 116 PHE HA H 116 4.209 4.209 4.659 -0.450 18261 9577 1 13 . 1 1 116 116 PHE C C 116 176.597 176.597 178.381 -1.784 18261 9578 1 13 . 1 1 116 116 PHE CA C 116 61.261 61.261 61.442 -0.181 18261 9579 1 13 . 1 1 116 116 PHE CB C 116 39.506 39.506 38.989 0.517 18261 9580 1 13 . 1 1 116 116 PHE H H 116 7.249 7.249 8.189 -0.940 18261 9581 1 13 . 1 1 117 117 ILE N N 117 119.233 119.233 120.891 -1.658 18261 9582 1 13 . 1 1 117 117 ILE HA H 117 3.537 3.537 3.710 -0.173 18261 9583 1 13 . 1 1 117 117 ILE C C 117 178.789 178.789 178.052 0.737 18261 9584 1 13 . 1 1 117 117 ILE CA C 117 65.677 65.677 65.346 0.331 18261 9585 1 13 . 1 1 117 117 ILE CB C 117 38.125 38.125 37.443 0.682 18261 9586 1 13 . 1 1 117 117 ILE H H 117 7.652 7.652 7.727 -0.075 18261 9587 1 13 . 1 1 118 118 ASN N N 118 119.875 119.875 119.384 0.491 18261 9588 1 13 . 1 1 118 118 ASN HA H 118 4.304 4.304 4.531 -0.227 18261 9589 1 13 . 1 1 118 118 ASN C C 118 177.033 177.033 178.041 -1.008 18261 9590 1 13 . 1 1 118 118 ASN CA C 118 55.716 55.716 56.070 -0.354 18261 9591 1 13 . 1 1 118 118 ASN CB C 118 37.423 37.423 37.809 -0.386 18261 9592 1 13 . 1 1 118 118 ASN H H 118 8.975 8.975 8.501 0.474 18261 9593 1 13 . 1 1 119 119 GLU N N 119 121.029 121.029 120.987 0.042 18261 9594 1 13 . 1 1 119 119 GLU HA H 119 4.026 4.026 4.027 -0.001 18261 9595 1 13 . 1 1 119 119 GLU C C 119 178.564 178.564 179.140 -0.576 18261 9596 1 13 . 1 1 119 119 GLU CA C 119 59.426 59.426 59.236 0.190 18261 9597 1 13 . 1 1 119 119 GLU CB C 119 29.646 29.646 29.672 -0.026 18261 9598 1 13 . 1 1 119 119 GLU H H 119 8.120 8.120 7.619 0.501 18261 9599 1 13 . 1 1 120 120 ILE N N 120 117.654 117.654 119.515 -1.861 18261 9600 1 13 . 1 1 120 120 ILE HA H 120 3.734 3.734 3.858 -0.124 18261 9601 1 13 . 1 1 120 120 ILE C C 120 178.279 178.279 178.107 0.172 18261 9602 1 13 . 1 1 120 120 ILE CA C 120 62.756 62.756 65.225 -2.469 18261 9603 1 13 . 1 1 120 120 ILE CB C 120 35.645 35.645 38.034 -2.389 18261 9604 1 13 . 1 1 120 120 ILE H H 120 8.077 8.077 8.404 -0.327 18261 9605 1 13 . 1 1 121 121 THR N N 121 112.585 112.585 113.898 -1.313 18261 9606 1 13 . 1 1 121 121 THR HA H 121 3.753 3.753 3.915 -0.162 18261 9607 1 13 . 1 1 121 121 THR C C 121 177.258 177.258 176.850 0.408 18261 9608 1 13 . 1 1 121 121 THR CA C 121 67.090 67.090 66.303 0.787 18261 9609 1 13 . 1 1 121 121 THR CB C 121 68.254 68.254 68.514 -0.260 18261 9610 1 13 . 1 1 121 121 THR H H 121 8.640 8.640 8.025 0.615 18261 9611 1 13 . 1 1 122 122 GLN N N 122 123.063 123.063 120.719 2.344 18261 9612 1 13 . 1 1 122 122 GLN HA H 122 4.091 4.091 4.145 -0.054 18261 9613 1 13 . 1 1 122 122 GLN C C 122 179.014 179.014 178.700 0.314 18261 9614 1 13 . 1 1 122 122 GLN CA C 122 59.192 59.192 58.285 0.907 18261 9615 1 13 . 1 1 122 122 GLN CB C 122 28.020 28.020 28.078 -0.058 18261 9616 1 13 . 1 1 122 122 GLN H H 122 8.111 8.111 7.682 0.429 18261 9617 1 13 . 1 1 123 123 LEU N N 123 120.494 120.494 120.167 0.327 18261 9618 1 13 . 1 1 123 123 LEU HA H 123 3.841 3.841 4.058 -0.217 18261 9619 1 13 . 1 1 123 123 LEU C C 123 178.354 178.354 179.143 -0.789 18261 9620 1 13 . 1 1 123 123 LEU CA C 123 58.005 58.005 57.796 0.209 18261 9621 1 13 . 1 1 123 123 LEU CB C 123 42.580 42.580 41.634 0.946 18261 9622 1 13 . 1 1 123 123 LEU H H 123 8.131 8.131 7.594 0.537 18261 9623 1 13 . 1 1 124 124 VAL N N 124 118.543 118.543 121.196 -2.653 18261 9624 1 13 . 1 1 124 124 VAL HA H 124 3.560 3.560 3.769 -0.209 18261 9625 1 13 . 1 1 124 124 VAL C C 124 177.453 177.453 178.551 -1.098 18261 9626 1 13 . 1 1 124 124 VAL CA C 124 67.297 67.297 66.987 0.310 18261 9627 1 13 . 1 1 124 124 VAL CB C 124 31.526 31.526 31.219 0.307 18261 9628 1 13 . 1 1 124 124 VAL H H 124 8.732 8.732 8.642 0.090 18261 9629 1 13 . 1 1 125 125 SER N N 125 112.449 112.449 115.134 -2.685 18261 9630 1 13 . 1 1 125 125 SER HA H 125 4.044 4.044 4.045 -0.001 18261 9631 1 13 . 1 1 125 125 SER C C 125 175.937 175.937 176.824 -0.887 18261 9632 1 13 . 1 1 125 125 SER CA C 125 62.356 62.356 61.736 0.620 18261 9633 1 13 . 1 1 125 125 SER CB C 125 62.890 62.890 62.964 -0.074 18261 9634 1 13 . 1 1 125 125 SER H H 125 7.863 7.863 7.652 0.211 18261 9635 1 13 . 1 1 126 126 MET N N 126 120.797 120.797 121.806 -1.009 18261 9636 1 13 . 1 1 126 126 MET HA H 126 4.051 4.051 4.033 0.018 18261 9637 1 13 . 1 1 126 126 MET C C 126 179.254 179.254 178.040 1.214 18261 9638 1 13 . 1 1 126 126 MET CA C 126 58.939 58.939 59.064 -0.125 18261 9639 1 13 . 1 1 126 126 MET CB C 126 32.625 32.625 32.578 0.047 18261 9640 1 13 . 1 1 126 126 MET H H 126 8.033 8.033 7.807 0.226 18261 9641 1 13 . 1 1 127 127 PHE N N 127 118.244 118.244 117.990 0.254 18261 9642 1 13 . 1 1 127 127 PHE HA H 127 4.398 4.398 4.161 0.237 18261 9643 1 13 . 1 1 127 127 PHE C C 127 178.128 178.128 177.642 0.486 18261 9644 1 13 . 1 1 127 127 PHE CA C 127 59.991 59.991 61.372 -1.381 18261 9645 1 13 . 1 1 127 127 PHE CB C 127 38.584 38.584 38.386 0.197 18261 9646 1 13 . 1 1 127 127 PHE H H 127 8.753 8.753 8.622 0.131 18261 9647 1 13 . 1 1 128 128 ALA N N 128 120.518 120.518 121.499 -0.981 18261 9648 1 13 . 1 1 128 128 ALA HA H 128 4.152 4.152 4.103 0.049 18261 9649 1 13 . 1 1 128 128 ALA C C 128 178.789 178.789 180.327 -1.538 18261 9650 1 13 . 1 1 128 128 ALA CA C 128 54.570 54.570 54.752 -0.182 18261 9651 1 13 . 1 1 128 128 ALA CB C 128 19.373 19.373 18.478 0.895 18261 9652 1 13 . 1 1 128 128 ALA H H 128 8.681 8.681 8.491 0.190 18261 9653 1 13 . 1 1 129 129 GLN N N 129 115.315 115.315 118.641 -3.326 18261 9654 1 13 . 1 1 129 129 GLN HA H 129 4.197 4.197 4.079 0.118 18261 9655 1 13 . 1 1 129 129 GLN C C 129 177.258 177.258 178.042 -0.784 18261 9656 1 13 . 1 1 129 129 GLN CA C 129 57.519 57.519 58.405 -0.886 18261 9657 1 13 . 1 1 129 129 GLN CB C 129 29.271 29.271 28.709 0.562 18261 9658 1 13 . 1 1 129 129 GLN H H 129 7.835 7.835 8.034 -0.199 18261 9659 1 13 . 1 1 130 130 ALA N N 130 121.556 121.556 119.567 1.989 18261 9660 1 13 . 1 1 130 130 ALA HA H 130 4.285 4.285 4.361 -0.076 18261 9661 1 13 . 1 1 130 130 ALA C C 130 178.564 178.564 178.549 0.015 18261 9662 1 13 . 1 1 130 130 ALA CA C 130 53.823 53.823 53.458 0.365 18261 9663 1 13 . 1 1 130 130 ALA CB C 130 19.058 19.058 18.653 0.405 18261 9664 1 13 . 1 1 130 130 ALA H H 130 7.758 7.758 8.006 -0.248 18261 9665 1 13 . 1 1 131 131 GLY N N 131 105.780 105.780 105.067 0.713 18261 9666 1 13 . 1 1 131 131 GLY C C 131 173.970 173.970 174.950 -0.980 18261 9667 1 13 . 1 1 131 131 GLY CA C 131 45.702 45.702 45.752 -0.050 18261 9668 1 13 . 1 1 131 131 GLY H H 131 8.222 8.222 7.797 0.425 18261 9669 1 13 . 1 1 132 132 MET N N 132 118.358 118.358 119.769 -1.411 18261 9670 1 13 . 1 1 132 132 MET HA H 132 4.540 4.540 4.386 0.154 18261 9671 1 13 . 1 1 132 132 MET C C 132 175.952 175.952 176.905 -0.953 18261 9672 1 13 . 1 1 132 132 MET CA C 132 55.611 55.611 57.575 -1.964 18261 9673 1 13 . 1 1 132 132 MET CB C 132 33.473 33.473 33.700 -0.228 18261 9674 1 13 . 1 1 132 132 MET H H 132 7.763 7.763 7.431 0.332 18261 9675 1 13 . 1 1 133 133 ASN N N 133 119.002 119.002 118.171 0.831 18261 9676 1 13 . 1 1 133 133 ASN HA H 133 4.725 4.725 4.846 -0.121 18261 9677 1 13 . 1 1 133 133 ASN C C 133 174.646 174.646 174.001 0.645 18261 9678 1 13 . 1 1 133 133 ASN CA C 133 53.512 53.512 52.395 1.117 18261 9679 1 13 . 1 1 133 133 ASN CB C 133 39.301 39.301 40.492 -1.191 18261 9680 1 13 . 1 1 133 133 ASN H H 133 8.289 8.289 7.963 0.326 18261 9681 1 13 . 1 1 134 134 ASP N N 134 120.907 120.907 124.903 -3.996 18261 9682 1 13 . 1 1 134 134 ASP HA H 134 4.659 4.659 4.606 0.053 18261 9683 1 13 . 1 1 134 134 ASP C C 134 176.162 176.162 175.933 0.229 18261 9684 1 13 . 1 1 134 134 ASP CA C 134 54.379 54.379 55.376 -0.997 18261 9685 1 13 . 1 1 134 134 ASP CB C 134 41.291 41.291 39.949 1.342 18261 9686 1 13 . 1 1 134 134 ASP H H 134 8.364 8.364 8.682 -0.318 18261 9687 1 13 . 1 1 135 135 VAL N N 135 119.971 119.971 122.224 -2.253 18261 9688 1 13 . 1 1 135 135 VAL HA H 135 4.214 4.214 4.224 -0.010 18261 9689 1 13 . 1 1 135 135 VAL C C 135 176.162 176.162 175.909 0.253 18261 9690 1 13 . 1 1 135 135 VAL CA C 135 62.157 62.157 62.811 -0.654 18261 9691 1 13 . 1 1 135 135 VAL CB C 135 32.644 32.644 32.223 0.421 18261 9692 1 13 . 1 1 135 135 VAL H H 135 8.118 8.118 8.042 0.076 18261 9693 1 13 . 1 1 136 136 SER N N 136 119.918 119.918 115.634 4.284 18261 9694 1 13 . 1 1 136 136 SER HA H 136 4.462 4.462 4.545 -0.083 18261 9695 1 13 . 1 1 136 136 SER C C 136 173.325 173.325 174.157 -0.832 18261 9696 1 13 . 1 1 136 136 SER CA C 136 58.342 58.342 58.131 0.211 18261 9697 1 13 . 1 1 136 136 SER CB C 136 64.041 64.041 62.917 1.124 18261 9698 1 13 . 1 1 136 136 SER H H 136 8.410 8.410 8.158 0.252 18261 9699 1 14 . 1 1 3 3 GLY CA C 3 45.200 45.200 44.840 0.360 18261 9700 1 14 . 1 1 4 4 ASN N N 4 124.083 124.083 119.643 4.440 18261 9701 1 14 . 1 1 4 4 ASN HA H 4 4.530 4.530 4.573 -0.043 18261 9702 1 14 . 1 1 4 4 ASN C C 4 179.449 179.449 176.766 2.683 18261 9703 1 14 . 1 1 4 4 ASN CA C 4 54.803 54.803 55.491 -0.688 18261 9704 1 14 . 1 1 4 4 ASN CB C 4 41.106 41.106 38.985 2.121 18261 9705 1 14 . 1 1 4 4 ASN H H 4 7.981 7.981 8.079 -0.098 18261 9706 1 14 . 1 1 6 6 HIS HA H 6 4.693 4.693 4.249 0.444 18261 9707 1 14 . 1 1 6 6 HIS CA C 6 56.115 56.115 56.788 -0.673 18261 9708 1 14 . 1 1 6 6 HIS CB C 6 31.011 31.011 27.573 3.438 18261 9709 1 14 . 1 1 7 7 THR N N 7 115.238 115.238 115.555 -0.317 18261 9710 1 14 . 1 1 7 7 THR HA H 7 4.318 4.318 4.514 -0.196 18261 9711 1 14 . 1 1 7 7 THR C C 7 173.970 173.970 173.980 -0.010 18261 9712 1 14 . 1 1 7 7 THR CA C 7 62.099 62.099 60.946 1.153 18261 9713 1 14 . 1 1 7 7 THR CB C 7 69.779 69.779 69.092 0.687 18261 9714 1 14 . 1 1 7 7 THR H H 7 8.120 8.120 7.863 0.257 18261 9715 1 14 . 1 1 8 8 THR N N 8 115.713 115.713 118.044 -2.331 18261 9716 1 14 . 1 1 8 8 THR HA H 8 4.146 4.146 4.411 -0.265 18261 9717 1 14 . 1 1 8 8 THR C C 8 172.664 172.664 173.795 -1.131 18261 9718 1 14 . 1 1 8 8 THR CA C 8 58.349 58.349 57.190 1.159 18261 9719 1 14 . 1 1 8 8 THR CB C 8 69.219 69.219 69.097 0.122 18261 9720 1 14 . 1 1 8 8 THR H H 8 7.977 7.977 7.941 0.036 18261 9721 1 14 . 1 1 9 9 PRO HA H 9 3.939 3.939 4.053 -0.114 18261 9722 1 14 . 1 1 9 9 PRO CA C 9 62.965 62.965 63.831 -0.866 18261 9723 1 14 . 1 1 9 9 PRO CB C 9 30.610 30.610 30.184 0.426 18261 9724 1 14 . 1 1 10 10 TRP N N 10 111.487 111.487 113.875 -2.388 18261 9725 1 14 . 1 1 10 10 TRP HA H 10 4.899 4.899 4.662 0.237 18261 9726 1 14 . 1 1 10 10 TRP C C 10 175.817 175.817 176.801 -0.984 18261 9727 1 14 . 1 1 10 10 TRP CA C 10 54.292 54.292 55.241 -0.949 18261 9728 1 14 . 1 1 10 10 TRP CB C 10 31.219 31.219 28.673 2.546 18261 9729 1 14 . 1 1 10 10 TRP H H 10 6.681 6.681 7.054 -0.373 18261 9730 1 14 . 1 1 11 11 THR N N 11 106.120 106.120 114.111 -7.991 18261 9731 1 14 . 1 1 11 11 THR HA H 11 3.905 3.905 4.070 -0.165 18261 9732 1 14 . 1 1 11 11 THR C C 11 173.970 173.970 174.505 -0.535 18261 9733 1 14 . 1 1 11 11 THR CA C 11 63.937 63.937 64.476 -0.539 18261 9734 1 14 . 1 1 11 11 THR CB C 11 69.242 69.242 69.280 -0.038 18261 9735 1 14 . 1 1 11 11 THR H H 11 7.189 7.189 7.473 -0.284 18261 9736 1 14 . 1 1 12 12 ASN N N 12 116.403 116.403 114.929 1.474 18261 9737 1 14 . 1 1 12 12 ASN HA H 12 5.115 5.115 5.083 0.032 18261 9738 1 14 . 1 1 12 12 ASN C C 12 172.889 172.889 173.681 -0.792 18261 9739 1 14 . 1 1 12 12 ASN CA C 12 51.276 51.276 51.162 0.114 18261 9740 1 14 . 1 1 12 12 ASN CB C 12 40.474 40.474 40.870 -0.396 18261 9741 1 14 . 1 1 12 12 ASN H H 12 7.282 7.282 7.855 -0.573 18261 9742 1 14 . 1 1 13 13 PRO HA H 13 4.210 4.210 4.324 -0.114 18261 9743 1 14 . 1 1 13 13 PRO CA C 13 65.516 65.516 66.328 -0.812 18261 9744 1 14 . 1 1 13 13 PRO CB C 13 32.418 32.418 32.046 0.372 18261 9745 1 14 . 1 1 14 14 GLY N N 14 108.796 108.796 107.027 1.769 18261 9746 1 14 . 1 1 14 14 GLY C C 14 175.952 175.952 176.653 -0.701 18261 9747 1 14 . 1 1 14 14 GLY CA C 14 47.073 47.073 46.624 0.449 18261 9748 1 14 . 1 1 14 14 GLY H H 14 8.363 8.363 8.450 -0.087 18261 9749 1 14 . 1 1 15 15 LEU N N 15 124.473 124.473 123.677 0.796 18261 9750 1 14 . 1 1 15 15 LEU HA H 15 4.335 4.335 4.105 0.230 18261 9751 1 14 . 1 1 15 15 LEU C C 15 178.564 178.564 179.044 -0.480 18261 9752 1 14 . 1 1 15 15 LEU CA C 15 57.402 57.402 57.465 -0.063 18261 9753 1 14 . 1 1 15 15 LEU CB C 15 41.600 41.600 41.243 0.357 18261 9754 1 14 . 1 1 15 15 LEU H H 15 7.890 7.890 7.820 0.070 18261 9755 1 14 . 1 1 16 16 ALA N N 16 121.371 121.371 121.647 -0.276 18261 9756 1 14 . 1 1 16 16 ALA HA H 16 4.000 4.000 4.173 -0.173 18261 9757 1 14 . 1 1 16 16 ALA C C 16 179.104 179.104 179.839 -0.735 18261 9758 1 14 . 1 1 16 16 ALA CA C 16 56.360 56.360 55.272 1.088 18261 9759 1 14 . 1 1 16 16 ALA CB C 16 19.351 19.351 18.376 0.975 18261 9760 1 14 . 1 1 16 16 ALA H H 16 8.429 8.429 8.480 -0.051 18261 9761 1 14 . 1 1 17 17 GLU N N 17 117.199 117.199 118.796 -1.597 18261 9762 1 14 . 1 1 17 17 GLU HA H 17 3.964 3.964 3.990 -0.026 18261 9763 1 14 . 1 1 17 17 GLU C C 17 177.993 177.993 179.197 -1.204 18261 9764 1 14 . 1 1 17 17 GLU CA C 17 59.543 59.543 59.681 -0.138 18261 9765 1 14 . 1 1 17 17 GLU CB C 17 29.932 29.932 29.690 0.242 18261 9766 1 14 . 1 1 17 17 GLU H H 17 8.030 8.030 8.282 -0.252 18261 9767 1 14 . 1 1 18 18 ASN N N 18 118.433 118.433 117.633 0.800 18261 9768 1 14 . 1 1 18 18 ASN HA H 18 4.546 4.546 4.611 -0.065 18261 9769 1 14 . 1 1 18 18 ASN C C 18 178.347 178.347 177.626 0.721 18261 9770 1 14 . 1 1 18 18 ASN CA C 18 56.226 56.226 56.178 0.048 18261 9771 1 14 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.836 -0.712 18261 9772 1 14 . 1 1 18 18 ASN H H 18 8.075 8.075 7.933 0.142 18261 9773 1 14 . 1 1 19 19 PHE N N 19 122.078 122.078 123.579 -1.501 18261 9774 1 14 . 1 1 19 19 PHE HA H 19 3.881 3.881 4.287 -0.406 18261 9775 1 14 . 1 1 19 19 PHE C C 19 176.837 176.837 177.741 -0.904 18261 9776 1 14 . 1 1 19 19 PHE CA C 19 62.230 62.230 62.023 0.207 18261 9777 1 14 . 1 1 19 19 PHE CB C 19 39.450 39.450 39.429 0.021 18261 9778 1 14 . 1 1 19 19 PHE H H 19 9.623 9.623 8.533 1.090 18261 9779 1 14 . 1 1 20 20 MET N N 20 118.264 118.264 115.698 2.566 18261 9780 1 14 . 1 1 20 20 MET HA H 20 4.424 4.424 4.145 0.279 18261 9781 1 14 . 1 1 20 20 MET C C 20 178.924 178.924 177.942 0.982 18261 9782 1 14 . 1 1 20 20 MET CA C 20 57.480 57.480 58.683 -1.203 18261 9783 1 14 . 1 1 20 20 MET CB C 20 31.929 31.929 31.836 0.093 18261 9784 1 14 . 1 1 20 20 MET H H 20 8.865 8.865 8.558 0.307 18261 9785 1 14 . 1 1 21 21 ASN N N 21 118.455 118.455 120.579 -2.124 18261 9786 1 14 . 1 1 21 21 ASN HA H 21 4.542 4.542 4.443 0.099 18261 9787 1 14 . 1 1 21 21 ASN C C 21 178.249 178.249 177.597 0.652 18261 9788 1 14 . 1 1 21 21 ASN CA C 21 56.305 56.305 57.460 -1.155 18261 9789 1 14 . 1 1 21 21 ASN CB C 21 37.916 37.916 39.018 -1.102 18261 9790 1 14 . 1 1 21 21 ASN H H 21 8.453 8.453 7.941 0.512 18261 9791 1 14 . 1 1 22 22 SER N N 22 116.036 116.036 116.050 -0.014 18261 9792 1 14 . 1 1 22 22 SER HA H 22 4.196 4.196 4.204 -0.008 18261 9793 1 14 . 1 1 22 22 SER C C 22 178.143 178.143 176.624 1.519 18261 9794 1 14 . 1 1 22 22 SER CA C 22 62.256 62.256 61.554 0.702 18261 9795 1 14 . 1 1 22 22 SER CB C 22 62.870 62.870 62.997 -0.127 18261 9796 1 14 . 1 1 22 22 SER H H 22 7.959 7.959 8.250 -0.291 18261 9797 1 14 . 1 1 23 23 PHE N N 23 124.987 124.987 125.429 -0.442 18261 9798 1 14 . 1 1 23 23 PHE HA H 23 4.005 4.005 4.149 -0.144 18261 9799 1 14 . 1 1 23 23 PHE C C 23 175.652 175.652 177.083 -1.431 18261 9800 1 14 . 1 1 23 23 PHE CA C 23 60.525 60.525 61.385 -0.860 18261 9801 1 14 . 1 1 23 23 PHE CB C 23 38.899 38.899 38.900 -0.001 18261 9802 1 14 . 1 1 23 23 PHE H H 23 9.045 9.045 8.379 0.666 18261 9803 1 14 . 1 1 24 24 MET N N 24 117.260 117.260 117.179 0.081 18261 9804 1 14 . 1 1 24 24 MET HA H 24 4.040 4.040 3.727 0.313 18261 9805 1 14 . 1 1 24 24 MET C C 24 179.797 179.797 178.671 1.126 18261 9806 1 14 . 1 1 24 24 MET CA C 24 56.047 56.047 58.548 -2.501 18261 9807 1 14 . 1 1 24 24 MET CB C 24 30.308 30.308 31.679 -1.371 18261 9808 1 14 . 1 1 24 24 MET H H 24 8.302 8.302 8.286 0.016 18261 9809 1 14 . 1 1 25 25 GLN N N 25 120.167 120.167 118.761 1.406 18261 9810 1 14 . 1 1 25 25 GLN HA H 25 3.985 3.985 4.071 -0.086 18261 9811 1 14 . 1 1 25 25 GLN C C 25 179.870 179.870 178.846 1.024 18261 9812 1 14 . 1 1 25 25 GLN CA C 25 59.136 59.136 58.935 0.201 18261 9813 1 14 . 1 1 25 25 GLN CB C 25 28.234 28.234 28.629 -0.395 18261 9814 1 14 . 1 1 25 25 GLN H H 25 8.038 8.038 8.105 -0.067 18261 9815 1 14 . 1 1 26 26 GLY N N 26 107.636 107.636 107.643 -0.007 18261 9816 1 14 . 1 1 26 26 GLY C C 26 176.387 176.387 176.487 -0.100 18261 9817 1 14 . 1 1 26 26 GLY CA C 26 46.911 46.911 46.007 0.904 18261 9818 1 14 . 1 1 26 26 GLY H H 26 8.095 8.095 8.115 -0.020 18261 9819 1 14 . 1 1 27 27 LEU N N 27 122.877 122.877 124.546 -1.669 18261 9820 1 14 . 1 1 27 27 LEU HA H 27 3.783 3.783 3.943 -0.160 18261 9821 1 14 . 1 1 27 27 LEU C C 27 178.564 178.564 178.635 -0.071 18261 9822 1 14 . 1 1 27 27 LEU CA C 27 57.262 57.262 57.151 0.111 18261 9823 1 14 . 1 1 27 27 LEU CB C 27 42.076 42.076 40.969 1.107 18261 9824 1 14 . 1 1 27 27 LEU H H 27 8.369 8.369 8.302 0.067 18261 9825 1 14 . 1 1 28 28 SER N N 28 109.474 109.474 112.811 -3.337 18261 9826 1 14 . 1 1 28 28 SER HA H 28 4.138 4.138 4.264 -0.126 18261 9827 1 14 . 1 1 28 28 SER C C 28 174.421 174.421 175.310 -0.889 18261 9828 1 14 . 1 1 28 28 SER CA C 28 61.153 61.153 60.567 0.586 18261 9829 1 14 . 1 1 28 28 SER CB C 28 63.320 63.320 62.988 0.332 18261 9830 1 14 . 1 1 28 28 SER H H 28 7.527 7.527 8.200 -0.673 18261 9831 1 14 . 1 1 29 29 SER N N 29 114.550 114.550 115.395 -0.845 18261 9832 1 14 . 1 1 29 29 SER HA H 29 4.734 4.734 4.556 0.178 18261 9833 1 14 . 1 1 29 29 SER C C 29 173.970 173.970 174.101 -0.131 18261 9834 1 14 . 1 1 29 29 SER CA C 29 57.927 57.927 58.686 -0.759 18261 9835 1 14 . 1 1 29 29 SER CB C 29 64.500 64.500 64.011 0.489 18261 9836 1 14 . 1 1 29 29 SER H H 29 7.449 7.449 7.691 -0.242 18261 9837 1 14 . 1 1 30 30 MET N N 30 122.420 122.420 122.041 0.379 18261 9838 1 14 . 1 1 30 30 MET HA H 30 4.952 4.952 4.860 0.092 18261 9839 1 14 . 1 1 30 30 MET C C 30 174.195 174.195 173.941 0.254 18261 9840 1 14 . 1 1 30 30 MET CA C 30 53.638 53.638 51.111 2.527 18261 9841 1 14 . 1 1 30 30 MET CB C 30 32.305 32.305 32.171 0.134 18261 9842 1 14 . 1 1 30 30 MET H H 30 7.674 7.674 7.431 0.243 18261 9843 1 14 . 1 1 31 31 PRO HA H 31 4.669 4.669 4.463 0.206 18261 9844 1 14 . 1 1 31 31 PRO CA C 31 62.880 62.880 63.082 -0.202 18261 9845 1 14 . 1 1 31 31 PRO CB C 31 32.742 32.742 31.954 0.788 18261 9846 1 14 . 1 1 32 32 GLY N N 32 106.222 106.222 110.310 -4.088 18261 9847 1 14 . 1 1 32 32 GLY C C 32 172.454 172.454 173.285 -0.831 18261 9848 1 14 . 1 1 32 32 GLY CA C 32 45.608 45.608 45.175 0.433 18261 9849 1 14 . 1 1 32 32 GLY H H 32 8.415 8.415 8.047 0.368 18261 9850 1 14 . 1 1 33 33 PHE N N 33 116.404 116.404 121.596 -5.192 18261 9851 1 14 . 1 1 33 33 PHE HA H 33 5.167 5.167 4.655 0.512 18261 9852 1 14 . 1 1 33 33 PHE C C 33 176.387 176.387 176.378 0.009 18261 9853 1 14 . 1 1 33 33 PHE CA C 33 56.750 56.750 58.865 -2.115 18261 9854 1 14 . 1 1 33 33 PHE CB C 33 42.080 42.080 39.527 2.553 18261 9855 1 14 . 1 1 33 33 PHE H H 33 7.871 7.871 7.825 0.046 18261 9856 1 14 . 1 1 34 34 THR N N 34 113.684 113.684 118.706 -5.022 18261 9857 1 14 . 1 1 34 34 THR HA H 34 4.545 4.545 4.495 0.050 18261 9858 1 14 . 1 1 34 34 THR C C 34 175.066 175.066 175.640 -0.574 18261 9859 1 14 . 1 1 34 34 THR CA C 34 60.339 60.339 60.028 0.311 18261 9860 1 14 . 1 1 34 34 THR CB C 34 70.381 70.381 71.087 -0.706 18261 9861 1 14 . 1 1 34 34 THR H H 34 8.899 8.899 8.583 0.316 18261 9862 1 14 . 1 1 35 35 ALA N N 35 122.927 122.927 128.317 -5.390 18261 9863 1 14 . 1 1 35 35 ALA HA H 35 4.092 4.092 4.063 0.029 18261 9864 1 14 . 1 1 35 35 ALA C C 35 180.755 180.755 179.236 1.519 18261 9865 1 14 . 1 1 35 35 ALA CA C 35 55.827 55.827 54.834 0.993 18261 9866 1 14 . 1 1 35 35 ALA CB C 35 18.098 18.098 18.631 -0.533 18261 9867 1 14 . 1 1 35 35 ALA H H 35 8.864 8.864 9.031 -0.167 18261 9868 1 14 . 1 1 36 36 SER N N 36 112.708 112.708 114.125 -1.417 18261 9869 1 14 . 1 1 36 36 SER HA H 36 4.276 4.276 4.110 0.166 18261 9870 1 14 . 1 1 36 36 SER C C 36 177.033 177.033 176.983 0.050 18261 9871 1 14 . 1 1 36 36 SER CA C 36 61.403 61.403 61.142 0.261 18261 9872 1 14 . 1 1 36 36 SER CB C 36 62.371 62.371 63.044 -0.673 18261 9873 1 14 . 1 1 36 36 SER H H 36 8.389 8.389 7.791 0.598 18261 9874 1 14 . 1 1 37 37 GLN N N 37 121.595 121.595 121.468 0.127 18261 9875 1 14 . 1 1 37 37 GLN HA H 37 4.272 4.272 4.265 0.007 18261 9876 1 14 . 1 1 37 37 GLN C C 37 179.149 179.149 178.079 1.070 18261 9877 1 14 . 1 1 37 37 GLN CA C 37 58.638 58.638 58.302 0.336 18261 9878 1 14 . 1 1 37 37 GLN CB C 37 29.123 29.123 28.788 0.335 18261 9879 1 14 . 1 1 37 37 GLN H H 37 7.621 7.621 7.550 0.071 18261 9880 1 14 . 1 1 38 38 LEU N N 38 119.852 119.852 122.302 -2.450 18261 9881 1 14 . 1 1 38 38 LEU HA H 38 3.838 3.838 3.916 -0.078 18261 9882 1 14 . 1 1 38 38 LEU C C 38 179.675 179.675 178.249 1.426 18261 9883 1 14 . 1 1 38 38 LEU CA C 38 57.929 57.929 58.455 -0.526 18261 9884 1 14 . 1 1 38 38 LEU CB C 38 40.918 40.918 41.881 -0.963 18261 9885 1 14 . 1 1 38 38 LEU H H 38 8.341 8.341 8.425 -0.084 18261 9886 1 14 . 1 1 39 39 ASP N N 39 122.065 122.065 118.658 3.407 18261 9887 1 14 . 1 1 39 39 ASP HA H 39 4.439 4.439 4.248 0.191 18261 9888 1 14 . 1 1 39 39 ASP C C 39 179.224 179.224 177.720 1.504 18261 9889 1 14 . 1 1 39 39 ASP CA C 39 57.710 57.710 58.404 -0.694 18261 9890 1 14 . 1 1 39 39 ASP CB C 39 40.245 40.245 40.427 -0.182 18261 9891 1 14 . 1 1 39 39 ASP H H 39 7.955 7.955 8.352 -0.397 18261 9892 1 14 . 1 1 40 40 ASP N N 40 121.957 121.957 119.111 2.846 18261 9893 1 14 . 1 1 40 40 ASP HA H 40 4.483 4.483 4.388 0.095 18261 9894 1 14 . 1 1 40 40 ASP C C 40 179.600 179.600 177.960 1.640 18261 9895 1 14 . 1 1 40 40 ASP CA C 40 57.745 57.745 57.675 0.070 18261 9896 1 14 . 1 1 40 40 ASP CB C 40 40.190 40.190 40.936 -0.746 18261 9897 1 14 . 1 1 40 40 ASP H H 40 8.022 8.022 8.254 -0.232 18261 9898 1 14 . 1 1 41 41 MET N N 41 121.160 121.160 119.547 1.613 18261 9899 1 14 . 1 1 41 41 MET HA H 41 4.204 4.204 4.064 0.140 18261 9900 1 14 . 1 1 41 41 MET C C 41 177.693 177.693 178.215 -0.522 18261 9901 1 14 . 1 1 41 41 MET CA C 41 57.634 57.634 59.046 -1.412 18261 9902 1 14 . 1 1 41 41 MET CB C 41 31.422 31.422 32.688 -1.266 18261 9903 1 14 . 1 1 41 41 MET H H 41 8.668 8.668 8.126 0.542 18261 9904 1 14 . 1 1 42 42 SER N N 42 116.421 116.421 113.973 2.448 18261 9905 1 14 . 1 1 42 42 SER HA H 42 4.304 4.304 4.308 -0.004 18261 9906 1 14 . 1 1 42 42 SER C C 42 177.483 177.483 176.548 0.935 18261 9907 1 14 . 1 1 42 42 SER CA C 42 62.075 62.075 61.342 0.733 18261 9908 1 14 . 1 1 42 42 SER CB C 42 62.765 62.765 62.683 0.082 18261 9909 1 14 . 1 1 42 42 SER H H 42 8.375 8.375 8.455 -0.080 18261 9910 1 14 . 1 1 43 43 THR N N 43 118.797 118.797 118.338 0.459 18261 9911 1 14 . 1 1 43 43 THR HA H 43 4.042 4.042 4.134 -0.092 18261 9912 1 14 . 1 1 43 43 THR C C 43 177.258 177.258 176.681 0.577 18261 9913 1 14 . 1 1 43 43 THR CA C 43 66.584 66.584 66.115 0.469 18261 9914 1 14 . 1 1 43 43 THR CB C 43 68.490 68.490 68.835 -0.345 18261 9915 1 14 . 1 1 43 43 THR H H 43 7.928 7.928 7.249 0.679 18261 9916 1 14 . 1 1 44 44 ILE N N 44 122.960 122.960 121.855 1.105 18261 9917 1 14 . 1 1 44 44 ILE HA H 44 3.930 3.930 3.859 0.071 18261 9918 1 14 . 1 1 44 44 ILE C C 44 178.564 178.564 178.050 0.514 18261 9919 1 14 . 1 1 44 44 ILE CA C 44 64.483 64.483 62.315 2.168 18261 9920 1 14 . 1 1 44 44 ILE CB C 44 38.015 38.015 36.571 1.444 18261 9921 1 14 . 1 1 44 44 ILE H H 44 7.863 7.863 8.403 -0.540 18261 9922 1 14 . 1 1 45 45 ALA N N 45 124.792 124.792 121.055 3.737 18261 9923 1 14 . 1 1 45 45 ALA HA H 45 4.122 4.122 4.026 0.096 18261 9924 1 14 . 1 1 45 45 ALA C C 45 179.404 179.404 179.505 -0.101 18261 9925 1 14 . 1 1 45 45 ALA CA C 45 56.009 56.009 55.383 0.626 18261 9926 1 14 . 1 1 45 45 ALA CB C 45 18.908 18.908 18.353 0.555 18261 9927 1 14 . 1 1 45 45 ALA H H 45 8.853 8.853 8.176 0.677 18261 9928 1 14 . 1 1 46 46 GLN N N 46 116.307 116.307 117.090 -0.783 18261 9929 1 14 . 1 1 46 46 GLN HA H 46 4.068 4.068 4.110 -0.042 18261 9930 1 14 . 1 1 46 46 GLN C C 46 179.014 179.014 178.576 0.438 18261 9931 1 14 . 1 1 46 46 GLN CA C 46 58.903 58.903 58.362 0.541 18261 9932 1 14 . 1 1 46 46 GLN CB C 46 28.250 28.250 27.960 0.290 18261 9933 1 14 . 1 1 46 46 GLN H H 46 8.238 8.238 7.831 0.407 18261 9934 1 14 . 1 1 47 47 SER N N 47 115.959 115.959 116.424 -0.465 18261 9935 1 14 . 1 1 47 47 SER HA H 47 4.261 4.261 4.180 0.081 18261 9936 1 14 . 1 1 47 47 SER C C 47 177.483 177.483 176.350 1.133 18261 9937 1 14 . 1 1 47 47 SER CA C 47 61.526 61.526 61.649 -0.123 18261 9938 1 14 . 1 1 47 47 SER CB C 47 62.842 62.842 62.737 0.105 18261 9939 1 14 . 1 1 47 47 SER H H 47 8.223 8.223 7.912 0.311 18261 9940 1 14 . 1 1 48 48 MET N N 48 121.963 121.963 122.212 -0.249 18261 9941 1 14 . 1 1 48 48 MET HA H 48 4.110 4.110 4.115 -0.005 18261 9942 1 14 . 1 1 48 48 MET C C 48 177.798 177.798 177.443 0.355 18261 9943 1 14 . 1 1 48 48 MET CA C 48 57.531 57.531 57.988 -0.457 18261 9944 1 14 . 1 1 48 48 MET CB C 48 31.169 31.169 31.974 -0.805 18261 9945 1 14 . 1 1 48 48 MET H H 48 8.245 8.245 7.582 0.663 18261 9946 1 14 . 1 1 49 49 VAL N N 49 119.045 119.045 120.578 -1.533 18261 9947 1 14 . 1 1 49 49 VAL HA H 49 3.300 3.300 3.562 -0.262 18261 9948 1 14 . 1 1 49 49 VAL C C 49 177.910 177.910 178.361 -0.451 18261 9949 1 14 . 1 1 49 49 VAL CA C 49 67.811 67.811 67.302 0.509 18261 9950 1 14 . 1 1 49 49 VAL CB C 49 31.370 31.370 31.140 0.231 18261 9951 1 14 . 1 1 49 49 VAL H H 49 7.809 7.809 7.853 -0.044 18261 9952 1 14 . 1 1 50 50 GLN N N 50 118.357 118.357 118.139 0.218 18261 9953 1 14 . 1 1 50 50 GLN HA H 50 4.091 4.091 3.939 0.152 18261 9954 1 14 . 1 1 50 50 GLN C C 50 179.449 179.449 178.704 0.745 18261 9955 1 14 . 1 1 50 50 GLN CA C 50 59.056 59.056 58.710 0.346 18261 9956 1 14 . 1 1 50 50 GLN CB C 50 28.020 28.020 28.019 0.001 18261 9957 1 14 . 1 1 50 50 GLN H H 50 8.225 8.225 8.274 -0.049 18261 9958 1 14 . 1 1 51 51 SER N N 51 117.253 117.253 116.728 0.525 18261 9959 1 14 . 1 1 51 51 SER HA H 51 4.235 4.235 4.175 0.060 18261 9960 1 14 . 1 1 51 51 SER C C 51 176.374 176.374 176.790 -0.416 18261 9961 1 14 . 1 1 51 51 SER CA C 51 62.752 62.752 62.412 0.340 18261 9962 1 14 . 1 1 51 51 SER CB C 51 62.963 62.963 62.750 0.213 18261 9963 1 14 . 1 1 51 51 SER H H 51 8.328 8.328 7.716 0.612 18261 9964 1 14 . 1 1 52 52 ILE N N 52 123.114 123.114 121.890 1.224 18261 9965 1 14 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.621 -0.022 18261 9966 1 14 . 1 1 52 52 ILE C C 52 178.684 178.684 177.476 1.208 18261 9967 1 14 . 1 1 52 52 ILE CA C 52 64.736 64.736 65.153 -0.417 18261 9968 1 14 . 1 1 52 52 ILE CB C 52 37.838 37.838 37.389 0.449 18261 9969 1 14 . 1 1 52 52 ILE H H 52 8.147 8.147 8.148 -0.001 18261 9970 1 14 . 1 1 53 53 GLN N N 53 120.011 120.011 119.592 0.419 18261 9971 1 14 . 1 1 53 53 GLN HA H 53 3.946 3.946 3.991 -0.045 18261 9972 1 14 . 1 1 53 53 GLN C C 53 179.014 179.014 178.959 0.055 18261 9973 1 14 . 1 1 53 53 GLN CA C 53 59.501 59.501 58.919 0.582 18261 9974 1 14 . 1 1 53 53 GLN CB C 53 27.901 27.901 28.020 -0.119 18261 9975 1 14 . 1 1 53 53 GLN H H 53 8.583 8.583 8.524 0.059 18261 9976 1 14 . 1 1 54 54 SER N N 54 115.479 115.479 116.236 -0.757 18261 9977 1 14 . 1 1 54 54 SER HA H 54 4.302 4.302 4.236 0.066 18261 9978 1 14 . 1 1 54 54 SER C C 54 176.822 176.822 176.844 -0.022 18261 9979 1 14 . 1 1 54 54 SER CA C 54 61.492 61.492 61.362 0.130 18261 9980 1 14 . 1 1 54 54 SER CB C 54 62.880 62.880 62.598 0.282 18261 9981 1 14 . 1 1 54 54 SER H H 54 8.271 8.271 7.939 0.332 18261 9982 1 14 . 1 1 55 55 LEU N N 55 121.519 121.519 121.903 -0.384 18261 9983 1 14 . 1 1 55 55 LEU HA H 55 4.068 4.068 3.973 0.095 18261 9984 1 14 . 1 1 55 55 LEU C C 55 179.434 179.434 178.629 0.805 18261 9985 1 14 . 1 1 55 55 LEU CA C 55 57.793 57.793 58.357 -0.564 18261 9986 1 14 . 1 1 55 55 LEU CB C 55 42.245 42.245 41.458 0.787 18261 9987 1 14 . 1 1 55 55 LEU H H 55 7.974 7.974 8.203 -0.229 18261 9988 1 14 . 1 1 56 56 ALA N N 56 121.040 121.040 119.904 1.136 18261 9989 1 14 . 1 1 56 56 ALA HA H 56 4.228 4.228 4.338 -0.110 18261 9990 1 14 . 1 1 56 56 ALA C C 56 180.530 180.530 178.433 2.097 18261 9991 1 14 . 1 1 56 56 ALA CA C 56 54.331 54.331 53.877 0.454 18261 9992 1 14 . 1 1 56 56 ALA CB C 56 18.075 18.075 18.837 -0.762 18261 9993 1 14 . 1 1 56 56 ALA H H 56 8.032 8.032 7.996 0.036 18261 9994 1 14 . 1 1 57 57 ALA N N 57 121.325 121.325 120.165 1.160 18261 9995 1 14 . 1 1 57 57 ALA HA H 57 4.219 4.219 4.330 -0.111 18261 9996 1 14 . 1 1 57 57 ALA C C 57 179.344 179.344 179.136 0.208 18261 9997 1 14 . 1 1 57 57 ALA CA C 57 54.446 54.446 53.476 0.970 18261 9998 1 14 . 1 1 57 57 ALA CB C 57 18.470 18.470 19.261 -0.791 18261 9999 1 14 . 1 1 57 57 ALA H H 57 8.030 8.030 7.408 0.622 18261 10000 1 14 . 1 1 58 58 GLN N N 58 114.257 114.257 116.264 -2.007 18261 10001 1 14 . 1 1 58 58 GLN HA H 58 4.356 4.356 4.381 -0.025 18261 10002 1 14 . 1 1 58 58 GLN C C 58 176.612 176.612 176.633 -0.021 18261 10003 1 14 . 1 1 58 58 GLN CA C 58 55.957 55.957 55.447 0.510 18261 10004 1 14 . 1 1 58 58 GLN CB C 58 29.767 29.767 30.142 -0.375 18261 10005 1 14 . 1 1 58 58 GLN H H 58 7.751 7.751 8.271 -0.520 18261 10006 1 14 . 1 1 59 59 GLY N N 59 108.304 108.304 108.587 -0.283 18261 10007 1 14 . 1 1 59 59 GLY C C 59 174.856 174.856 174.592 0.264 18261 10008 1 14 . 1 1 59 59 GLY CA C 59 46.197 46.197 45.741 0.456 18261 10009 1 14 . 1 1 59 59 GLY H H 59 7.910 7.910 7.829 0.081 18261 10010 1 14 . 1 1 60 60 ARG N N 60 118.258 118.258 118.066 0.192 18261 10011 1 14 . 1 1 60 60 ARG HA H 60 4.553 4.553 4.553 -0.000 18261 10012 1 14 . 1 1 60 60 ARG C C 60 175.847 175.847 175.872 -0.025 18261 10013 1 14 . 1 1 60 60 ARG CA C 60 55.658 55.658 54.828 0.830 18261 10014 1 14 . 1 1 60 60 ARG CB C 60 31.714 31.714 31.819 -0.104 18261 10015 1 14 . 1 1 60 60 ARG H H 60 8.108 8.108 8.252 -0.144 18261 10016 1 14 . 1 1 61 61 THR N N 61 115.924 115.924 118.793 -2.869 18261 10017 1 14 . 1 1 61 61 THR HA H 61 4.785 4.785 4.283 0.502 18261 10018 1 14 . 1 1 61 61 THR C C 61 173.654 173.654 173.940 -0.286 18261 10019 1 14 . 1 1 61 61 THR CA C 61 63.140 63.140 63.989 -0.849 18261 10020 1 14 . 1 1 61 61 THR CB C 61 68.602 68.602 68.864 -0.262 18261 10021 1 14 . 1 1 61 61 THR H H 61 7.970 7.970 7.955 0.015 18261 10022 1 14 . 1 1 62 62 SER N N 62 119.666 119.666 122.550 -2.884 18261 10023 1 14 . 1 1 62 62 SER HA H 62 4.902 4.902 4.962 -0.060 18261 10024 1 14 . 1 1 62 62 SER C C 62 173.207 173.207 173.581 -0.374 18261 10025 1 14 . 1 1 62 62 SER CA C 62 56.193 56.193 55.302 0.891 18261 10026 1 14 . 1 1 62 62 SER CB C 62 63.781 63.781 64.635 -0.854 18261 10027 1 14 . 1 1 62 62 SER H H 62 7.788 7.788 8.236 -0.448 18261 10028 1 14 . 1 1 63 63 PRO HA H 63 4.313 4.313 4.223 0.090 18261 10029 1 14 . 1 1 63 63 PRO CA C 63 65.746 65.746 65.959 -0.213 18261 10030 1 14 . 1 1 63 63 PRO CB C 63 32.147 32.147 31.798 0.349 18261 10031 1 14 . 1 1 64 64 ASN HA H 64 4.550 4.550 4.497 0.053 18261 10032 1 14 . 1 1 64 64 ASN CA C 64 56.202 56.202 56.212 -0.010 18261 10033 1 14 . 1 1 64 64 ASN CB C 64 38.000 38.000 36.880 1.119 18261 10034 1 14 . 1 1 65 65 LYS N N 65 120.530 120.530 121.063 -0.533 18261 10035 1 14 . 1 1 65 65 LYS HA H 65 4.197 4.197 4.080 0.117 18261 10036 1 14 . 1 1 65 65 LYS C C 65 178.999 178.999 179.032 -0.033 18261 10037 1 14 . 1 1 65 65 LYS CA C 65 58.250 58.250 59.248 -0.998 18261 10038 1 14 . 1 1 65 65 LYS CB C 65 32.498 32.498 32.226 0.272 18261 10039 1 14 . 1 1 65 65 LYS H H 65 7.770 7.770 7.335 0.435 18261 10040 1 14 . 1 1 66 66 LEU N N 66 118.804 118.804 119.441 -0.637 18261 10041 1 14 . 1 1 66 66 LEU HA H 66 4.070 4.070 4.038 0.032 18261 10042 1 14 . 1 1 66 66 LEU C C 66 178.928 178.928 178.854 0.074 18261 10043 1 14 . 1 1 66 66 LEU CA C 66 57.928 57.928 57.809 0.119 18261 10044 1 14 . 1 1 66 66 LEU CB C 66 41.329 41.329 41.691 -0.362 18261 10045 1 14 . 1 1 66 66 LEU H H 66 7.932 7.932 7.980 -0.048 18261 10046 1 14 . 1 1 67 67 GLN N N 67 119.307 119.307 119.244 0.063 18261 10047 1 14 . 1 1 67 67 GLN HA H 67 4.224 4.224 4.041 0.183 18261 10048 1 14 . 1 1 67 67 GLN C C 67 178.789 178.789 178.276 0.513 18261 10049 1 14 . 1 1 67 67 GLN CA C 67 58.862 58.862 59.029 -0.167 18261 10050 1 14 . 1 1 67 67 GLN CB C 67 28.052 28.052 28.688 -0.636 18261 10051 1 14 . 1 1 67 67 GLN H H 67 8.160 8.160 8.460 -0.300 18261 10052 1 14 . 1 1 68 68 ALA N N 68 122.124 122.124 121.402 0.722 18261 10053 1 14 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.185 0.005 18261 10054 1 14 . 1 1 68 68 ALA C C 68 180.320 180.320 179.657 0.663 18261 10055 1 14 . 1 1 68 68 ALA CA C 68 55.282 55.282 54.740 0.542 18261 10056 1 14 . 1 1 68 68 ALA CB C 68 18.251 18.251 18.438 -0.187 18261 10057 1 14 . 1 1 68 68 ALA H H 68 7.844 7.844 7.742 0.102 18261 10058 1 14 . 1 1 69 69 LEU N N 69 119.481 119.481 119.317 0.164 18261 10059 1 14 . 1 1 69 69 LEU HA H 69 3.912 3.912 3.783 0.129 18261 10060 1 14 . 1 1 69 69 LEU C C 69 178.864 178.864 178.781 0.083 18261 10061 1 14 . 1 1 69 69 LEU CA C 69 57.904 57.904 57.561 0.343 18261 10062 1 14 . 1 1 69 69 LEU CB C 69 41.052 41.052 40.955 0.097 18261 10063 1 14 . 1 1 69 69 LEU H H 69 7.819 7.819 8.066 -0.247 18261 10064 1 14 . 1 1 70 70 ASN N N 70 119.633 119.633 118.835 0.798 18261 10065 1 14 . 1 1 70 70 ASN HA H 70 4.553 4.553 4.622 -0.069 18261 10066 1 14 . 1 1 70 70 ASN C C 70 177.483 177.483 177.626 -0.143 18261 10067 1 14 . 1 1 70 70 ASN CA C 70 57.125 57.125 56.538 0.587 18261 10068 1 14 . 1 1 70 70 ASN CB C 70 38.392 38.392 38.181 0.211 18261 10069 1 14 . 1 1 70 70 ASN H H 70 8.265 8.265 7.865 0.400 18261 10070 1 14 . 1 1 71 71 MET N N 71 118.024 118.024 119.331 -1.307 18261 10071 1 14 . 1 1 71 71 MET HA H 71 4.201 4.201 4.169 0.032 18261 10072 1 14 . 1 1 71 71 MET C C 71 178.279 178.279 178.969 -0.690 18261 10073 1 14 . 1 1 71 71 MET CA C 71 59.445 59.445 59.819 -0.374 18261 10074 1 14 . 1 1 71 71 MET CB C 71 32.313 32.313 32.525 -0.212 18261 10075 1 14 . 1 1 71 71 MET H H 71 8.098 8.098 7.608 0.490 18261 10076 1 14 . 1 1 72 72 ARG N N 72 121.985 121.985 119.856 2.129 18261 10077 1 14 . 1 1 72 72 ARG HA H 72 3.981 3.981 4.026 -0.045 18261 10078 1 14 . 1 1 72 72 ARG C C 72 179.059 179.059 179.051 0.008 18261 10079 1 14 . 1 1 72 72 ARG CA C 72 59.058 59.058 59.561 -0.503 18261 10080 1 14 . 1 1 72 72 ARG CB C 72 30.120 30.120 30.016 0.104 18261 10081 1 14 . 1 1 72 72 ARG H H 72 8.292 8.292 8.053 0.239 18261 10082 1 14 . 1 1 73 73 PHE N N 73 122.085 122.085 121.411 0.674 18261 10083 1 14 . 1 1 73 73 PHE HA H 73 4.529 4.529 4.243 0.286 18261 10084 1 14 . 1 1 73 73 PHE C C 73 177.258 177.258 177.135 0.123 18261 10085 1 14 . 1 1 73 73 PHE CA C 73 59.248 59.248 60.681 -1.433 18261 10086 1 14 . 1 1 73 73 PHE CB C 73 39.527 39.527 38.858 0.669 18261 10087 1 14 . 1 1 73 73 PHE H H 73 8.703 8.703 8.644 0.059 18261 10088 1 14 . 1 1 74 74 ALA N N 74 119.273 119.273 121.341 -2.068 18261 10089 1 14 . 1 1 74 74 ALA HA H 74 3.764 3.764 3.766 -0.002 18261 10090 1 14 . 1 1 74 74 ALA C C 74 179.374 179.374 179.429 -0.055 18261 10091 1 14 . 1 1 74 74 ALA CA C 74 55.324 55.324 55.234 0.090 18261 10092 1 14 . 1 1 74 74 ALA CB C 74 20.509 20.509 18.551 1.958 18261 10093 1 14 . 1 1 74 74 ALA H H 74 8.598 8.598 8.298 0.300 18261 10094 1 14 . 1 1 75 75 SER N N 75 113.611 113.611 114.550 -0.939 18261 10095 1 14 . 1 1 75 75 SER HA H 75 3.636 3.636 4.166 -0.530 18261 10096 1 14 . 1 1 75 75 SER CA C 75 61.936 61.936 61.515 0.421 18261 10097 1 14 . 1 1 75 75 SER CB C 75 61.869 61.869 62.401 -0.532 18261 10098 1 14 . 1 1 75 75 SER H H 75 8.780 8.780 8.455 0.325 18261 10099 1 14 . 1 1 76 76 SER N N 76 119.013 119.013 118.961 0.052 18261 10100 1 14 . 1 1 76 76 SER HA H 76 4.310 4.310 4.429 -0.119 18261 10101 1 14 . 1 1 76 76 SER CA C 76 62.536 62.536 61.360 1.176 18261 10102 1 14 . 1 1 76 76 SER CB C 76 62.943 62.943 62.855 0.088 18261 10103 1 14 . 1 1 76 76 SER H H 76 8.210 8.210 8.278 -0.068 18261 10104 1 14 . 1 1 77 77 MET N N 77 120.105 120.105 121.747 -1.642 18261 10105 1 14 . 1 1 77 77 MET HA H 77 4.027 4.027 4.124 -0.097 18261 10106 1 14 . 1 1 77 77 MET C C 77 178.354 178.354 178.139 0.215 18261 10107 1 14 . 1 1 77 77 MET CA C 77 59.954 59.954 58.934 1.020 18261 10108 1 14 . 1 1 77 77 MET CB C 77 34.616 34.616 32.251 2.365 18261 10109 1 14 . 1 1 77 77 MET H H 77 8.005 8.005 7.375 0.630 18261 10110 1 14 . 1 1 78 78 ALA N N 78 121.530 121.530 122.868 -1.338 18261 10111 1 14 . 1 1 78 78 ALA HA H 78 3.933 3.933 4.026 -0.093 18261 10112 1 14 . 1 1 78 78 ALA C C 78 178.354 178.354 179.643 -1.289 18261 10113 1 14 . 1 1 78 78 ALA CA C 78 55.427 55.427 55.466 -0.039 18261 10114 1 14 . 1 1 78 78 ALA CB C 78 20.344 20.344 17.862 2.482 18261 10115 1 14 . 1 1 78 78 ALA H H 78 8.550 8.550 8.262 0.288 18261 10116 1 14 . 1 1 79 79 GLU N N 79 117.137 117.137 118.609 -1.472 18261 10117 1 14 . 1 1 79 79 GLU HA H 79 3.919 3.919 3.967 -0.048 18261 10118 1 14 . 1 1 79 79 GLU C C 79 178.894 178.894 179.301 -0.407 18261 10119 1 14 . 1 1 79 79 GLU CA C 79 59.445 59.445 59.436 0.009 18261 10120 1 14 . 1 1 79 79 GLU CB C 79 29.895 29.895 29.576 0.319 18261 10121 1 14 . 1 1 79 79 GLU H H 79 7.737 7.737 8.098 -0.361 18261 10122 1 14 . 1 1 80 80 ILE N N 80 118.063 118.063 119.626 -1.563 18261 10123 1 14 . 1 1 80 80 ILE HA H 80 3.932 3.932 3.758 0.174 18261 10124 1 14 . 1 1 80 80 ILE C C 80 179.014 179.014 177.857 1.157 18261 10125 1 14 . 1 1 80 80 ILE CA C 80 63.727 63.727 64.926 -1.199 18261 10126 1 14 . 1 1 80 80 ILE CB C 80 38.208 38.208 37.886 0.321 18261 10127 1 14 . 1 1 80 80 ILE H H 80 7.239 7.239 7.313 -0.074 18261 10128 1 14 . 1 1 81 81 ALA N N 81 121.494 121.494 121.184 0.310 18261 10129 1 14 . 1 1 81 81 ALA HA H 81 3.961 3.961 4.133 -0.172 18261 10130 1 14 . 1 1 81 81 ALA C C 81 177.258 177.258 178.954 -1.696 18261 10131 1 14 . 1 1 81 81 ALA CA C 81 54.668 54.668 54.719 -0.051 18261 10132 1 14 . 1 1 81 81 ALA CB C 81 17.887 17.887 18.747 -0.860 18261 10133 1 14 . 1 1 81 81 ALA H H 81 8.495 8.495 8.210 0.285 18261 10134 1 14 . 1 1 82 82 ALA N N 82 116.416 116.416 119.036 -2.620 18261 10135 1 14 . 1 1 82 82 ALA HA H 82 4.316 4.316 4.147 0.169 18261 10136 1 14 . 1 1 82 82 ALA C C 82 177.693 177.693 178.809 -1.116 18261 10137 1 14 . 1 1 82 82 ALA CA C 82 52.630 52.630 53.591 -0.961 18261 10138 1 14 . 1 1 82 82 ALA CB C 82 19.224 19.224 18.386 0.838 18261 10139 1 14 . 1 1 82 82 ALA H H 82 8.034 8.034 8.104 -0.070 18261 10140 1 14 . 1 1 83 83 SER N N 83 112.672 112.672 114.982 -2.310 18261 10141 1 14 . 1 1 83 83 SER HA H 83 4.299 4.299 4.195 0.104 18261 10142 1 14 . 1 1 83 83 SER C C 83 174.856 174.856 175.166 -0.310 18261 10143 1 14 . 1 1 83 83 SER CA C 83 59.329 59.329 61.358 -2.029 18261 10144 1 14 . 1 1 83 83 SER CB C 83 63.943 63.943 63.536 0.407 18261 10145 1 14 . 1 1 83 83 SER H H 83 7.437 7.437 7.740 -0.303 18261 10146 1 14 . 1 1 84 84 GLU N N 84 122.890 122.890 116.417 6.473 18261 10147 1 14 . 1 1 84 84 GLU HA H 84 4.420 4.420 4.587 -0.167 18261 10148 1 14 . 1 1 84 84 GLU C C 84 176.597 176.597 175.309 1.288 18261 10149 1 14 . 1 1 84 84 GLU CA C 84 56.586 56.586 55.367 1.219 18261 10150 1 14 . 1 1 84 84 GLU CB C 84 30.648 30.648 32.850 -2.203 18261 10151 1 14 . 1 1 84 84 GLU H H 84 8.245 8.245 7.760 0.485 18261 10152 1 14 . 1 1 85 85 GLU N N 85 122.062 122.062 118.886 3.176 18261 10153 1 14 . 1 1 85 85 GLU HA H 85 4.285 4.285 4.436 -0.151 18261 10154 1 14 . 1 1 85 85 GLU C C 85 177.258 177.258 178.070 -0.812 18261 10155 1 14 . 1 1 85 85 GLU CA C 85 57.128 57.128 56.916 0.212 18261 10156 1 14 . 1 1 85 85 GLU CB C 85 30.121 30.121 30.126 -0.005 18261 10157 1 14 . 1 1 85 85 GLU H H 85 8.477 8.477 8.620 -0.143 18261 10158 1 14 . 1 1 86 86 GLY N N 86 110.431 110.431 108.167 2.264 18261 10159 1 14 . 1 1 86 86 GLY C C 86 174.856 174.856 174.863 -0.007 18261 10160 1 14 . 1 1 86 86 GLY CA C 86 45.654 45.654 45.398 0.256 18261 10161 1 14 . 1 1 86 86 GLY H H 86 8.563 8.563 8.544 0.019 18261 10162 1 14 . 1 1 87 87 GLY N N 87 108.508 108.508 105.918 2.590 18261 10163 1 14 . 1 1 87 87 GLY C C 87 174.436 174.436 174.006 0.430 18261 10164 1 14 . 1 1 87 87 GLY CA C 87 45.396 45.396 44.770 0.626 18261 10165 1 14 . 1 1 87 87 GLY H H 87 8.274 8.274 7.890 0.384 18261 10166 1 14 . 1 1 88 88 GLY N N 88 107.821 107.821 108.517 -0.696 18261 10167 1 14 . 1 1 88 88 GLY C C 88 173.325 173.325 172.699 0.626 18261 10168 1 14 . 1 1 88 88 GLY CA C 88 44.814 44.814 44.096 0.717 18261 10169 1 14 . 1 1 88 88 GLY H H 88 8.105 8.105 7.344 0.761 18261 10170 1 14 . 1 1 89 89 SER N N 89 115.747 115.747 118.543 -2.796 18261 10171 1 14 . 1 1 89 89 SER HA H 89 4.582 4.582 4.472 0.110 18261 10172 1 14 . 1 1 89 89 SER C C 89 175.066 175.066 175.647 -0.581 18261 10173 1 14 . 1 1 89 89 SER CA C 89 57.256 57.256 56.414 0.842 18261 10174 1 14 . 1 1 89 89 SER CB C 89 65.130 65.130 64.348 0.782 18261 10175 1 14 . 1 1 89 89 SER H H 89 8.476 8.476 8.523 -0.047 18261 10176 1 14 . 1 1 90 90 LEU N N 90 124.735 124.735 123.196 1.539 18261 10177 1 14 . 1 1 90 90 LEU HA H 90 4.106 4.106 4.131 -0.025 18261 10178 1 14 . 1 1 90 90 LEU C C 90 179.434 179.434 178.216 1.218 18261 10179 1 14 . 1 1 90 90 LEU CA C 90 58.434 58.434 57.678 0.756 18261 10180 1 14 . 1 1 90 90 LEU CB C 90 41.377 41.377 41.464 -0.087 18261 10181 1 14 . 1 1 90 90 LEU H H 90 8.860 8.860 8.901 -0.041 18261 10182 1 14 . 1 1 91 91 SER N N 91 113.851 113.851 113.970 -0.119 18261 10183 1 14 . 1 1 91 91 SER C C 91 177.325 177.325 175.939 1.386 18261 10184 1 14 . 1 1 91 91 SER CA C 91 61.261 61.261 62.005 -0.744 18261 10185 1 14 . 1 1 91 91 SER CB C 91 62.010 62.010 62.851 -0.841 18261 10186 1 14 . 1 1 91 91 SER H H 91 8.537 8.537 8.305 0.232 18261 10187 1 14 . 1 1 92 92 THR N N 92 120.889 120.889 116.446 4.443 18261 10188 1 14 . 1 1 92 92 THR HA H 92 3.993 3.993 4.259 -0.266 18261 10189 1 14 . 1 1 92 92 THR C C 92 176.162 176.162 176.127 0.035 18261 10190 1 14 . 1 1 92 92 THR CA C 92 66.467 66.467 64.982 1.485 18261 10191 1 14 . 1 1 92 92 THR CB C 92 68.285 68.285 68.892 -0.607 18261 10192 1 14 . 1 1 92 92 THR H H 92 7.795 7.795 7.557 0.238 18261 10193 1 14 . 1 1 93 93 LYS N N 93 120.210 120.210 122.670 -2.460 18261 10194 1 14 . 1 1 93 93 LYS HA H 93 3.798 3.798 4.261 -0.463 18261 10195 1 14 . 1 1 93 93 LYS CA C 93 61.044 61.044 59.068 1.976 18261 10196 1 14 . 1 1 93 93 LYS CB C 93 33.470 33.470 31.791 1.679 18261 10197 1 14 . 1 1 93 93 LYS H H 93 8.098 8.098 7.517 0.581 18261 10198 1 14 . 1 1 94 94 THR N N 94 111.485 111.485 113.578 -2.093 18261 10199 1 14 . 1 1 94 94 THR HA H 94 3.936 3.936 4.185 -0.249 18261 10200 1 14 . 1 1 94 94 THR C C 94 177.033 177.033 176.381 0.652 18261 10201 1 14 . 1 1 94 94 THR CA C 94 66.974 66.974 65.198 1.776 18261 10202 1 14 . 1 1 94 94 THR CB C 94 68.013 68.013 68.695 -0.682 18261 10203 1 14 . 1 1 94 94 THR H H 94 8.891 8.891 8.526 0.365 18261 10204 1 14 . 1 1 95 95 SER N N 95 118.938 118.938 116.407 2.531 18261 10205 1 14 . 1 1 95 95 SER HA H 95 4.394 4.394 4.467 -0.073 18261 10206 1 14 . 1 1 95 95 SER C C 95 177.828 177.828 176.087 1.741 18261 10207 1 14 . 1 1 95 95 SER CA C 95 61.990 61.990 61.679 0.311 18261 10208 1 14 . 1 1 95 95 SER CB C 95 62.580 62.580 63.492 -0.911 18261 10209 1 14 . 1 1 95 95 SER H H 95 8.118 8.118 7.435 0.683 18261 10210 1 14 . 1 1 96 96 SER N N 96 121.520 121.520 118.622 2.898 18261 10211 1 14 . 1 1 96 96 SER HA H 96 4.457 4.457 4.274 0.183 18261 10212 1 14 . 1 1 96 96 SER CA C 96 62.695 62.695 61.786 0.909 18261 10213 1 14 . 1 1 96 96 SER CB C 96 62.796 62.796 62.925 -0.129 18261 10214 1 14 . 1 1 96 96 SER H H 96 8.603 8.603 7.796 0.807 18261 10215 1 14 . 1 1 97 97 ILE N N 97 122.420 122.420 123.427 -1.007 18261 10216 1 14 . 1 1 97 97 ILE HA H 97 3.792 3.792 3.825 -0.033 18261 10217 1 14 . 1 1 97 97 ILE C C 97 177.693 177.693 177.812 -0.119 18261 10218 1 14 . 1 1 97 97 ILE CA C 97 66.722 66.722 65.529 1.193 18261 10219 1 14 . 1 1 97 97 ILE CB C 97 38.645 38.645 37.669 0.976 18261 10220 1 14 . 1 1 97 97 ILE H H 97 8.516 8.516 7.684 0.832 18261 10221 1 14 . 1 1 98 98 ALA N N 98 122.031 122.031 121.438 0.593 18261 10222 1 14 . 1 1 98 98 ALA HA H 98 4.063 4.063 4.129 -0.066 18261 10223 1 14 . 1 1 98 98 ALA C C 98 180.740 180.740 179.685 1.055 18261 10224 1 14 . 1 1 98 98 ALA CA C 98 56.158 56.158 54.854 1.304 18261 10225 1 14 . 1 1 98 98 ALA CB C 98 18.347 18.347 18.067 0.280 18261 10226 1 14 . 1 1 98 98 ALA H H 98 8.437 8.437 8.235 0.202 18261 10227 1 14 . 1 1 99 99 SER N N 99 115.676 115.676 114.747 0.929 18261 10228 1 14 . 1 1 99 99 SER HA H 99 4.369 4.369 4.233 0.136 18261 10229 1 14 . 1 1 99 99 SER C C 99 177.168 177.168 176.505 0.663 18261 10230 1 14 . 1 1 99 99 SER CA C 99 61.959 61.959 61.261 0.698 18261 10231 1 14 . 1 1 99 99 SER CB C 99 63.160 63.160 62.945 0.215 18261 10232 1 14 . 1 1 99 99 SER H H 99 8.611 8.611 7.792 0.819 18261 10233 1 14 . 1 1 100 100 ALA N N 100 124.275 124.275 124.395 -0.120 18261 10234 1 14 . 1 1 100 100 ALA HA H 100 4.243 4.243 4.066 0.177 18261 10235 1 14 . 1 1 100 100 ALA C C 100 181.851 181.851 179.641 2.210 18261 10236 1 14 . 1 1 100 100 ALA CA C 100 55.321 55.321 54.904 0.417 18261 10237 1 14 . 1 1 100 100 ALA CB C 100 18.479 18.479 18.261 0.218 18261 10238 1 14 . 1 1 100 100 ALA H H 100 8.973 8.973 7.983 0.990 18261 10239 1 14 . 1 1 101 101 MET N N 101 118.986 118.986 118.603 0.383 18261 10240 1 14 . 1 1 101 101 MET HA H 101 4.063 4.063 4.098 -0.035 18261 10241 1 14 . 1 1 101 101 MET C C 101 177.483 177.483 178.677 -1.194 18261 10242 1 14 . 1 1 101 101 MET CA C 101 60.999 60.999 59.988 1.011 18261 10243 1 14 . 1 1 101 101 MET CB C 101 34.583 34.583 32.804 1.779 18261 10244 1 14 . 1 1 101 101 MET H H 101 9.072 9.072 8.860 0.212 18261 10245 1 14 . 1 1 102 102 SER N N 102 116.650 116.650 115.454 1.196 18261 10246 1 14 . 1 1 102 102 SER HA H 102 4.370 4.370 4.207 0.163 18261 10247 1 14 . 1 1 102 102 SER C C 102 176.357 176.357 176.680 -0.323 18261 10248 1 14 . 1 1 102 102 SER CA C 102 63.278 63.278 62.322 0.956 18261 10249 1 14 . 1 1 102 102 SER CB C 102 62.523 62.523 62.777 -0.254 18261 10250 1 14 . 1 1 102 102 SER H H 102 8.673 8.673 8.392 0.281 18261 10251 1 14 . 1 1 103 103 ASN N N 103 118.060 118.060 119.414 -1.354 18261 10252 1 14 . 1 1 103 103 ASN HA H 103 4.477 4.477 4.550 -0.073 18261 10253 1 14 . 1 1 103 103 ASN C C 103 176.603 176.603 177.191 -0.588 18261 10254 1 14 . 1 1 103 103 ASN CA C 103 56.564 56.564 55.772 0.792 18261 10255 1 14 . 1 1 103 103 ASN CB C 103 38.362 38.362 38.637 -0.275 18261 10256 1 14 . 1 1 103 103 ASN H H 103 8.098 8.098 7.935 0.163 18261 10257 1 14 . 1 1 104 104 ALA N N 104 122.235 122.235 122.542 -0.307 18261 10258 1 14 . 1 1 104 104 ALA HA H 104 4.255 4.255 4.039 0.216 18261 10259 1 14 . 1 1 104 104 ALA C C 104 181.701 181.701 179.881 1.820 18261 10260 1 14 . 1 1 104 104 ALA CA C 104 54.815 54.815 54.808 0.007 18261 10261 1 14 . 1 1 104 104 ALA CB C 104 18.177 18.177 18.112 0.065 18261 10262 1 14 . 1 1 104 104 ALA H H 104 7.919 7.919 7.955 -0.036 18261 10263 1 14 . 1 1 105 105 PHE N N 105 119.159 119.159 120.011 -0.852 18261 10264 1 14 . 1 1 105 105 PHE HA H 105 4.401 4.401 4.648 -0.247 18261 10265 1 14 . 1 1 105 105 PHE C C 105 179.224 179.224 177.635 1.589 18261 10266 1 14 . 1 1 105 105 PHE CA C 105 63.744 63.744 60.290 3.454 18261 10267 1 14 . 1 1 105 105 PHE CB C 105 39.417 39.417 39.734 -0.317 18261 10268 1 14 . 1 1 105 105 PHE H H 105 8.615 8.615 8.091 0.524 18261 10269 1 14 . 1 1 106 106 LEU N N 106 121.765 121.765 118.750 3.015 18261 10270 1 14 . 1 1 106 106 LEU HA H 106 3.741 3.741 4.079 -0.338 18261 10271 1 14 . 1 1 106 106 LEU C C 106 179.074 179.074 178.382 0.692 18261 10272 1 14 . 1 1 106 106 LEU CA C 106 59.086 59.086 57.706 1.380 18261 10273 1 14 . 1 1 106 106 LEU CB C 106 41.265 41.265 41.664 -0.399 18261 10274 1 14 . 1 1 106 106 LEU H H 106 8.259 8.259 7.835 0.424 18261 10275 1 14 . 1 1 107 107 GLN N N 107 114.755 114.755 117.800 -3.045 18261 10276 1 14 . 1 1 107 107 GLN HA H 107 4.189 4.189 4.311 -0.122 18261 10277 1 14 . 1 1 107 107 GLN C C 107 176.822 176.822 177.669 -0.847 18261 10278 1 14 . 1 1 107 107 GLN CA C 107 57.461 57.461 57.557 -0.096 18261 10279 1 14 . 1 1 107 107 GLN CB C 107 29.393 29.393 28.884 0.509 18261 10280 1 14 . 1 1 107 107 GLN H H 107 8.176 8.176 7.841 0.335 18261 10281 1 14 . 1 1 108 108 THR N N 108 108.074 108.074 112.892 -4.818 18261 10282 1 14 . 1 1 108 108 THR HA H 108 4.517 4.517 4.272 0.245 18261 10283 1 14 . 1 1 108 108 THR C C 108 175.952 175.952 175.707 0.245 18261 10284 1 14 . 1 1 108 108 THR CA C 108 62.526 62.526 64.655 -2.129 18261 10285 1 14 . 1 1 108 108 THR CB C 108 70.320 70.320 69.399 0.921 18261 10286 1 14 . 1 1 108 108 THR H H 108 7.740 7.740 7.613 0.127 18261 10287 1 14 . 1 1 109 109 THR N N 109 113.029 113.029 112.866 0.163 18261 10288 1 14 . 1 1 109 109 THR HA H 109 4.620 4.620 4.329 0.291 18261 10289 1 14 . 1 1 109 109 THR C C 109 176.162 176.162 175.291 0.871 18261 10290 1 14 . 1 1 109 109 THR CA C 109 62.255 62.255 61.716 0.539 18261 10291 1 14 . 1 1 109 109 THR CB C 109 70.768 70.768 69.456 1.312 18261 10292 1 14 . 1 1 109 109 THR H H 109 8.869 8.869 7.421 1.448 18261 10293 1 14 . 1 1 110 110 GLY N N 110 109.433 109.433 110.222 -0.789 18261 10294 1 14 . 1 1 110 110 GLY C C 110 172.889 172.889 173.684 -0.795 18261 10295 1 14 . 1 1 110 110 GLY CA C 110 45.555 45.555 45.490 0.065 18261 10296 1 14 . 1 1 110 110 GLY H H 110 8.298 8.298 7.754 0.544 18261 10297 1 14 . 1 1 111 111 VAL N N 111 119.167 119.167 118.313 0.854 18261 10298 1 14 . 1 1 111 111 VAL HA H 111 4.266 4.266 4.379 -0.113 18261 10299 1 14 . 1 1 111 111 VAL C C 111 174.421 174.421 175.079 -0.658 18261 10300 1 14 . 1 1 111 111 VAL CA C 111 60.783 60.783 59.750 1.033 18261 10301 1 14 . 1 1 111 111 VAL CB C 111 35.394 35.394 35.351 0.043 18261 10302 1 14 . 1 1 111 111 VAL H H 111 7.786 7.786 7.308 0.478 18261 10303 1 14 . 1 1 112 112 VAL N N 112 124.920 124.920 122.866 2.054 18261 10304 1 14 . 1 1 112 112 VAL HA H 112 3.251 3.251 4.426 -1.175 18261 10305 1 14 . 1 1 112 112 VAL C C 112 174.646 174.646 175.309 -0.663 18261 10306 1 14 . 1 1 112 112 VAL CA C 112 64.409 64.409 61.215 3.194 18261 10307 1 14 . 1 1 112 112 VAL CB C 112 32.626 32.626 32.179 0.447 18261 10308 1 14 . 1 1 112 112 VAL H H 112 8.721 8.721 8.364 0.357 18261 10309 1 14 . 1 1 113 113 ASN HA H 113 4.505 4.505 4.748 -0.243 18261 10310 1 14 . 1 1 113 113 ASN CA C 113 50.080 50.080 52.362 -2.282 18261 10311 1 14 . 1 1 113 113 ASN CB C 113 36.910 36.910 38.182 -1.272 18261 10312 1 14 . 1 1 114 114 GLN N N 114 123.939 123.939 127.435 -3.496 18261 10313 1 14 . 1 1 114 114 GLN HA H 114 3.944 3.944 4.261 -0.317 18261 10314 1 14 . 1 1 114 114 GLN C C 114 174.811 174.811 175.347 -0.536 18261 10315 1 14 . 1 1 114 114 GLN CA C 114 59.348 59.348 60.035 -0.687 18261 10316 1 14 . 1 1 114 114 GLN CB C 114 26.505 26.505 27.058 -0.553 18261 10317 1 14 . 1 1 114 114 GLN H H 114 8.368 8.368 8.325 0.043 18261 10318 1 14 . 1 1 115 115 PRO HA H 115 4.243 4.243 4.107 0.136 18261 10319 1 14 . 1 1 115 115 PRO CA C 115 66.602 66.602 65.851 0.751 18261 10320 1 14 . 1 1 115 115 PRO CB C 115 31.215 31.215 31.255 -0.040 18261 10321 1 14 . 1 1 116 116 PHE N N 116 117.612 117.612 117.008 0.604 18261 10322 1 14 . 1 1 116 116 PHE HA H 116 4.209 4.209 4.583 -0.374 18261 10323 1 14 . 1 1 116 116 PHE C C 116 176.597 176.597 177.782 -1.185 18261 10324 1 14 . 1 1 116 116 PHE CA C 116 61.261 61.261 60.620 0.641 18261 10325 1 14 . 1 1 116 116 PHE CB C 116 39.506 39.506 39.316 0.190 18261 10326 1 14 . 1 1 116 116 PHE H H 116 7.249 7.249 8.028 -0.779 18261 10327 1 14 . 1 1 117 117 ILE N N 117 119.233 119.233 119.837 -0.604 18261 10328 1 14 . 1 1 117 117 ILE HA H 117 3.537 3.537 3.662 -0.125 18261 10329 1 14 . 1 1 117 117 ILE C C 117 178.789 178.789 177.698 1.091 18261 10330 1 14 . 1 1 117 117 ILE CA C 117 65.677 65.677 64.801 0.876 18261 10331 1 14 . 1 1 117 117 ILE CB C 117 38.125 38.125 37.577 0.548 18261 10332 1 14 . 1 1 117 117 ILE H H 117 7.652 7.652 7.313 0.339 18261 10333 1 14 . 1 1 118 118 ASN N N 118 119.875 119.875 118.226 1.649 18261 10334 1 14 . 1 1 118 118 ASN HA H 118 4.304 4.304 4.459 -0.155 18261 10335 1 14 . 1 1 118 118 ASN C C 118 177.033 177.033 177.316 -0.283 18261 10336 1 14 . 1 1 118 118 ASN CA C 118 55.716 55.716 56.561 -0.845 18261 10337 1 14 . 1 1 118 118 ASN CB C 118 37.423 37.423 38.709 -1.286 18261 10338 1 14 . 1 1 118 118 ASN H H 118 8.975 8.975 8.178 0.797 18261 10339 1 14 . 1 1 119 119 GLU N N 119 121.029 121.029 120.185 0.844 18261 10340 1 14 . 1 1 119 119 GLU HA H 119 4.026 4.026 4.037 -0.011 18261 10341 1 14 . 1 1 119 119 GLU C C 119 178.564 178.564 178.612 -0.048 18261 10342 1 14 . 1 1 119 119 GLU CA C 119 59.426 59.426 58.792 0.634 18261 10343 1 14 . 1 1 119 119 GLU CB C 119 29.646 29.646 29.473 0.173 18261 10344 1 14 . 1 1 119 119 GLU H H 119 8.120 8.120 7.214 0.906 18261 10345 1 14 . 1 1 120 120 ILE N N 120 117.654 117.654 119.525 -1.871 18261 10346 1 14 . 1 1 120 120 ILE HA H 120 3.734 3.734 3.767 -0.033 18261 10347 1 14 . 1 1 120 120 ILE C C 120 178.279 178.279 178.236 0.043 18261 10348 1 14 . 1 1 120 120 ILE CA C 120 62.756 62.756 64.988 -2.232 18261 10349 1 14 . 1 1 120 120 ILE CB C 120 35.645 35.645 38.007 -2.362 18261 10350 1 14 . 1 1 120 120 ILE H H 120 8.077 8.077 7.569 0.508 18261 10351 1 14 . 1 1 121 121 THR N N 121 112.585 112.585 113.283 -0.698 18261 10352 1 14 . 1 1 121 121 THR HA H 121 3.753 3.753 3.906 -0.153 18261 10353 1 14 . 1 1 121 121 THR C C 121 177.258 177.258 176.711 0.547 18261 10354 1 14 . 1 1 121 121 THR CA C 121 67.090 67.090 65.910 1.180 18261 10355 1 14 . 1 1 121 121 THR CB C 121 68.254 68.254 68.470 -0.216 18261 10356 1 14 . 1 1 121 121 THR H H 121 8.640 8.640 7.880 0.760 18261 10357 1 14 . 1 1 122 122 GLN N N 122 123.063 123.063 120.628 2.435 18261 10358 1 14 . 1 1 122 122 GLN HA H 122 4.091 4.091 4.140 -0.049 18261 10359 1 14 . 1 1 122 122 GLN C C 122 179.014 179.014 178.446 0.568 18261 10360 1 14 . 1 1 122 122 GLN CA C 122 59.192 59.192 58.483 0.709 18261 10361 1 14 . 1 1 122 122 GLN CB C 122 28.020 28.020 27.953 0.067 18261 10362 1 14 . 1 1 122 122 GLN H H 122 8.111 8.111 7.733 0.378 18261 10363 1 14 . 1 1 123 123 LEU N N 123 120.494 120.494 119.110 1.384 18261 10364 1 14 . 1 1 123 123 LEU HA H 123 3.841 3.841 4.081 -0.240 18261 10365 1 14 . 1 1 123 123 LEU C C 123 178.354 178.354 179.634 -1.280 18261 10366 1 14 . 1 1 123 123 LEU CA C 123 58.005 58.005 56.035 1.970 18261 10367 1 14 . 1 1 123 123 LEU CB C 123 42.580 42.580 40.374 2.206 18261 10368 1 14 . 1 1 123 123 LEU H H 123 8.131 8.131 7.536 0.595 18261 10369 1 14 . 1 1 124 124 VAL N N 124 118.543 118.543 121.324 -2.781 18261 10370 1 14 . 1 1 124 124 VAL HA H 124 3.560 3.560 3.690 -0.130 18261 10371 1 14 . 1 1 124 124 VAL C C 124 177.453 177.453 178.419 -0.966 18261 10372 1 14 . 1 1 124 124 VAL CA C 124 67.297 67.297 67.118 0.179 18261 10373 1 14 . 1 1 124 124 VAL CB C 124 31.526 31.526 31.160 0.365 18261 10374 1 14 . 1 1 124 124 VAL H H 124 8.732 8.732 8.419 0.313 18261 10375 1 14 . 1 1 125 125 SER N N 125 112.449 112.449 114.814 -2.365 18261 10376 1 14 . 1 1 125 125 SER HA H 125 4.044 4.044 4.109 -0.065 18261 10377 1 14 . 1 1 125 125 SER C C 125 175.937 175.937 177.002 -1.065 18261 10378 1 14 . 1 1 125 125 SER CA C 125 62.356 62.356 61.877 0.479 18261 10379 1 14 . 1 1 125 125 SER CB C 125 62.890 62.890 62.900 -0.010 18261 10380 1 14 . 1 1 125 125 SER H H 125 7.863 7.863 7.708 0.155 18261 10381 1 14 . 1 1 126 126 MET N N 126 120.797 120.797 121.029 -0.232 18261 10382 1 14 . 1 1 126 126 MET HA H 126 4.051 4.051 3.980 0.071 18261 10383 1 14 . 1 1 126 126 MET C C 126 179.254 179.254 178.408 0.846 18261 10384 1 14 . 1 1 126 126 MET CA C 126 58.939 58.939 59.547 -0.608 18261 10385 1 14 . 1 1 126 126 MET CB C 126 32.625 32.625 32.536 0.089 18261 10386 1 14 . 1 1 126 126 MET H H 126 8.033 8.033 7.630 0.403 18261 10387 1 14 . 1 1 127 127 PHE N N 127 118.244 118.244 117.301 0.943 18261 10388 1 14 . 1 1 127 127 PHE HA H 127 4.398 4.398 4.199 0.199 18261 10389 1 14 . 1 1 127 127 PHE C C 127 178.128 178.128 177.135 0.993 18261 10390 1 14 . 1 1 127 127 PHE CA C 127 59.991 59.991 60.623 -0.632 18261 10391 1 14 . 1 1 127 127 PHE CB C 127 38.584 38.584 38.094 0.490 18261 10392 1 14 . 1 1 127 127 PHE H H 127 8.753 8.753 8.271 0.482 18261 10393 1 14 . 1 1 128 128 ALA N N 128 120.518 120.518 120.542 -0.024 18261 10394 1 14 . 1 1 128 128 ALA HA H 128 4.152 4.152 4.091 0.061 18261 10395 1 14 . 1 1 128 128 ALA C C 128 178.789 178.789 180.265 -1.476 18261 10396 1 14 . 1 1 128 128 ALA CA C 128 54.570 54.570 54.583 -0.013 18261 10397 1 14 . 1 1 128 128 ALA CB C 128 19.373 19.373 18.616 0.757 18261 10398 1 14 . 1 1 128 128 ALA H H 128 8.681 8.681 8.050 0.631 18261 10399 1 14 . 1 1 129 129 GLN N N 129 115.315 115.315 118.839 -3.524 18261 10400 1 14 . 1 1 129 129 GLN HA H 129 4.197 4.197 4.040 0.157 18261 10401 1 14 . 1 1 129 129 GLN C C 129 177.258 177.258 178.039 -0.781 18261 10402 1 14 . 1 1 129 129 GLN CA C 129 57.519 57.519 58.353 -0.834 18261 10403 1 14 . 1 1 129 129 GLN CB C 129 29.271 29.271 28.838 0.433 18261 10404 1 14 . 1 1 129 129 GLN H H 129 7.835 7.835 7.788 0.047 18261 10405 1 14 . 1 1 130 130 ALA N N 130 121.556 121.556 118.646 2.910 18261 10406 1 14 . 1 1 130 130 ALA HA H 130 4.285 4.285 4.253 0.032 18261 10407 1 14 . 1 1 130 130 ALA C C 130 178.564 178.564 178.550 0.014 18261 10408 1 14 . 1 1 130 130 ALA CA C 130 53.823 53.823 53.068 0.755 18261 10409 1 14 . 1 1 130 130 ALA CB C 130 19.058 19.058 18.556 0.502 18261 10410 1 14 . 1 1 130 130 ALA H H 130 7.758 7.758 7.807 -0.049 18261 10411 1 14 . 1 1 131 131 GLY N N 131 105.780 105.780 105.829 -0.049 18261 10412 1 14 . 1 1 131 131 GLY C C 131 173.970 173.970 174.836 -0.866 18261 10413 1 14 . 1 1 131 131 GLY CA C 131 45.702 45.702 44.780 0.922 18261 10414 1 14 . 1 1 131 131 GLY H H 131 8.222 8.222 7.690 0.532 18261 10415 1 14 . 1 1 132 132 MET N N 132 118.358 118.358 119.308 -0.950 18261 10416 1 14 . 1 1 132 132 MET HA H 132 4.540 4.540 4.477 0.063 18261 10417 1 14 . 1 1 132 132 MET C C 132 175.952 175.952 175.861 0.091 18261 10418 1 14 . 1 1 132 132 MET CA C 132 55.611 55.611 57.337 -1.726 18261 10419 1 14 . 1 1 132 132 MET CB C 132 33.473 33.473 33.938 -0.465 18261 10420 1 14 . 1 1 132 132 MET H H 132 7.763 7.763 7.661 0.102 18261 10421 1 14 . 1 1 133 133 ASN N N 133 119.002 119.002 114.884 4.118 18261 10422 1 14 . 1 1 133 133 ASN HA H 133 4.725 4.725 4.800 -0.075 18261 10423 1 14 . 1 1 133 133 ASN C C 133 174.646 174.646 173.600 1.046 18261 10424 1 14 . 1 1 133 133 ASN CA C 133 53.512 53.512 53.306 0.207 18261 10425 1 14 . 1 1 133 133 ASN CB C 133 39.301 39.301 39.029 0.272 18261 10426 1 14 . 1 1 133 133 ASN H H 133 8.289 8.289 7.805 0.484 18261 10427 1 14 . 1 1 134 134 ASP N N 134 120.907 120.907 116.487 4.420 18261 10428 1 14 . 1 1 134 134 ASP HA H 134 4.659 4.659 4.411 0.248 18261 10429 1 14 . 1 1 134 134 ASP C C 134 176.162 176.162 176.032 0.130 18261 10430 1 14 . 1 1 134 134 ASP CA C 134 54.379 54.379 54.902 -0.523 18261 10431 1 14 . 1 1 134 134 ASP CB C 134 41.291 41.291 40.736 0.555 18261 10432 1 14 . 1 1 134 134 ASP H H 134 8.364 8.364 8.383 -0.019 18261 10433 1 14 . 1 1 135 135 VAL N N 135 119.971 119.971 118.470 1.501 18261 10434 1 14 . 1 1 135 135 VAL HA H 135 4.214 4.214 4.127 0.087 18261 10435 1 14 . 1 1 135 135 VAL C C 135 176.162 176.162 175.607 0.555 18261 10436 1 14 . 1 1 135 135 VAL CA C 135 62.157 62.157 63.376 -1.219 18261 10437 1 14 . 1 1 135 135 VAL CB C 135 32.644 32.644 32.285 0.359 18261 10438 1 14 . 1 1 135 135 VAL H H 135 8.118 8.118 7.786 0.332 18261 10439 1 14 . 1 1 136 136 SER N N 136 119.918 119.918 118.163 1.755 18261 10440 1 14 . 1 1 136 136 SER HA H 136 4.462 4.462 4.697 -0.235 18261 10441 1 14 . 1 1 136 136 SER C C 136 173.325 173.325 173.706 -0.381 18261 10442 1 14 . 1 1 136 136 SER CA C 136 58.342 58.342 58.257 0.085 18261 10443 1 14 . 1 1 136 136 SER CB C 136 64.041 64.041 61.490 2.551 18261 10444 1 14 . 1 1 136 136 SER H H 136 8.410 8.410 8.130 0.280 18261 10445 1 15 . 1 1 3 3 GLY CA C 3 45.200 45.200 45.341 -0.141 18261 10446 1 15 . 1 1 4 4 ASN N N 4 124.083 124.083 120.576 3.507 18261 10447 1 15 . 1 1 4 4 ASN HA H 4 4.530 4.530 4.701 -0.171 18261 10448 1 15 . 1 1 4 4 ASN C C 4 179.449 179.449 174.884 4.565 18261 10449 1 15 . 1 1 4 4 ASN CA C 4 54.803 54.803 52.739 2.064 18261 10450 1 15 . 1 1 4 4 ASN CB C 4 41.106 41.106 39.237 1.869 18261 10451 1 15 . 1 1 4 4 ASN H H 4 7.981 7.981 8.180 -0.199 18261 10452 1 15 . 1 1 6 6 HIS HA H 6 4.693 4.693 4.621 0.072 18261 10453 1 15 . 1 1 6 6 HIS CA C 6 56.115 56.115 56.293 -0.178 18261 10454 1 15 . 1 1 6 6 HIS CB C 6 31.011 31.011 30.239 0.771 18261 10455 1 15 . 1 1 7 7 THR N N 7 115.238 115.238 119.761 -4.523 18261 10456 1 15 . 1 1 7 7 THR HA H 7 4.318 4.318 4.556 -0.238 18261 10457 1 15 . 1 1 7 7 THR C C 7 173.970 173.970 172.964 1.006 18261 10458 1 15 . 1 1 7 7 THR CA C 7 62.099 62.099 60.387 1.712 18261 10459 1 15 . 1 1 7 7 THR CB C 7 69.779 69.779 69.458 0.321 18261 10460 1 15 . 1 1 7 7 THR H H 7 8.120 8.120 8.107 0.013 18261 10461 1 15 . 1 1 8 8 THR N N 8 115.713 115.713 117.710 -1.997 18261 10462 1 15 . 1 1 8 8 THR HA H 8 4.146 4.146 4.143 0.003 18261 10463 1 15 . 1 1 8 8 THR C C 8 172.664 172.664 173.342 -0.678 18261 10464 1 15 . 1 1 8 8 THR CA C 8 58.349 58.349 59.221 -0.872 18261 10465 1 15 . 1 1 8 8 THR CB C 8 69.219 69.219 69.924 -0.705 18261 10466 1 15 . 1 1 8 8 THR H H 8 7.977 7.977 8.069 -0.092 18261 10467 1 15 . 1 1 9 9 PRO HA H 9 3.939 3.939 3.912 0.027 18261 10468 1 15 . 1 1 9 9 PRO CA C 9 62.965 62.965 64.139 -1.174 18261 10469 1 15 . 1 1 9 9 PRO CB C 9 30.610 30.610 30.689 -0.079 18261 10470 1 15 . 1 1 10 10 TRP N N 10 111.487 111.487 114.112 -2.625 18261 10471 1 15 . 1 1 10 10 TRP HA H 10 4.899 4.899 4.550 0.349 18261 10472 1 15 . 1 1 10 10 TRP C C 10 175.817 175.817 176.730 -0.913 18261 10473 1 15 . 1 1 10 10 TRP CA C 10 54.292 54.292 55.543 -1.251 18261 10474 1 15 . 1 1 10 10 TRP CB C 10 31.219 31.219 28.385 2.834 18261 10475 1 15 . 1 1 10 10 TRP H H 10 6.681 6.681 7.067 -0.386 18261 10476 1 15 . 1 1 11 11 THR N N 11 106.120 106.120 114.138 -8.018 18261 10477 1 15 . 1 1 11 11 THR HA H 11 3.905 3.905 4.077 -0.172 18261 10478 1 15 . 1 1 11 11 THR C C 11 173.970 173.970 174.032 -0.062 18261 10479 1 15 . 1 1 11 11 THR CA C 11 63.937 63.937 64.697 -0.760 18261 10480 1 15 . 1 1 11 11 THR CB C 11 69.242 69.242 69.254 -0.012 18261 10481 1 15 . 1 1 11 11 THR H H 11 7.189 7.189 7.547 -0.358 18261 10482 1 15 . 1 1 12 12 ASN N N 12 116.403 116.403 115.409 0.994 18261 10483 1 15 . 1 1 12 12 ASN HA H 12 5.115 5.115 5.118 -0.003 18261 10484 1 15 . 1 1 12 12 ASN C C 12 172.889 172.889 173.664 -0.775 18261 10485 1 15 . 1 1 12 12 ASN CA C 12 51.276 51.276 50.719 0.556 18261 10486 1 15 . 1 1 12 12 ASN CB C 12 40.474 40.474 40.048 0.426 18261 10487 1 15 . 1 1 12 12 ASN H H 12 7.282 7.282 7.709 -0.427 18261 10488 1 15 . 1 1 13 13 PRO HA H 13 4.210 4.210 4.343 -0.133 18261 10489 1 15 . 1 1 13 13 PRO CA C 13 65.516 65.516 65.792 -0.276 18261 10490 1 15 . 1 1 13 13 PRO CB C 13 32.418 32.418 31.959 0.459 18261 10491 1 15 . 1 1 14 14 GLY N N 14 108.796 108.796 104.091 4.705 18261 10492 1 15 . 1 1 14 14 GLY C C 14 175.952 175.952 174.800 1.152 18261 10493 1 15 . 1 1 14 14 GLY CA C 14 47.073 47.073 45.334 1.739 18261 10494 1 15 . 1 1 14 14 GLY H H 14 8.363 8.363 8.328 0.035 18261 10495 1 15 . 1 1 15 15 LEU N N 15 124.473 124.473 120.205 4.268 18261 10496 1 15 . 1 1 15 15 LEU HA H 15 4.335 4.335 4.682 -0.347 18261 10497 1 15 . 1 1 15 15 LEU C C 15 178.564 178.564 177.342 1.222 18261 10498 1 15 . 1 1 15 15 LEU CA C 15 57.402 57.402 55.517 1.885 18261 10499 1 15 . 1 1 15 15 LEU CB C 15 41.600 41.600 42.970 -1.370 18261 10500 1 15 . 1 1 15 15 LEU H H 15 7.890 7.890 7.498 0.392 18261 10501 1 15 . 1 1 16 16 ALA N N 16 121.371 121.371 123.736 -2.365 18261 10502 1 15 . 1 1 16 16 ALA HA H 16 4.000 4.000 4.077 -0.077 18261 10503 1 15 . 1 1 16 16 ALA C C 16 179.104 179.104 179.688 -0.584 18261 10504 1 15 . 1 1 16 16 ALA CA C 16 56.360 56.360 55.844 0.516 18261 10505 1 15 . 1 1 16 16 ALA CB C 16 19.351 19.351 18.259 1.092 18261 10506 1 15 . 1 1 16 16 ALA H H 16 8.429 8.429 8.678 -0.249 18261 10507 1 15 . 1 1 17 17 GLU N N 17 117.199 117.199 118.301 -1.102 18261 10508 1 15 . 1 1 17 17 GLU HA H 17 3.964 3.964 4.077 -0.113 18261 10509 1 15 . 1 1 17 17 GLU C C 17 177.993 177.993 179.065 -1.072 18261 10510 1 15 . 1 1 17 17 GLU CA C 17 59.543 59.543 59.214 0.329 18261 10511 1 15 . 1 1 17 17 GLU CB C 17 29.932 29.932 29.514 0.418 18261 10512 1 15 . 1 1 17 17 GLU H H 17 8.030 8.030 8.006 0.024 18261 10513 1 15 . 1 1 18 18 ASN N N 18 118.433 118.433 118.632 -0.199 18261 10514 1 15 . 1 1 18 18 ASN HA H 18 4.546 4.546 4.471 0.075 18261 10515 1 15 . 1 1 18 18 ASN C C 18 178.347 178.347 177.741 0.606 18261 10516 1 15 . 1 1 18 18 ASN CA C 18 56.226 56.226 55.865 0.360 18261 10517 1 15 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.214 -0.090 18261 10518 1 15 . 1 1 18 18 ASN H H 18 8.075 8.075 7.969 0.106 18261 10519 1 15 . 1 1 19 19 PHE N N 19 122.078 122.078 123.409 -1.331 18261 10520 1 15 . 1 1 19 19 PHE HA H 19 3.881 3.881 4.119 -0.238 18261 10521 1 15 . 1 1 19 19 PHE C C 19 176.837 176.837 177.106 -0.269 18261 10522 1 15 . 1 1 19 19 PHE CA C 19 62.230 62.230 61.663 0.567 18261 10523 1 15 . 1 1 19 19 PHE CB C 19 39.450 39.450 39.058 0.392 18261 10524 1 15 . 1 1 19 19 PHE H H 19 9.623 9.623 8.902 0.721 18261 10525 1 15 . 1 1 20 20 MET N N 20 118.264 118.264 117.125 1.139 18261 10526 1 15 . 1 1 20 20 MET HA H 20 4.424 4.424 3.908 0.516 18261 10527 1 15 . 1 1 20 20 MET C C 20 178.924 178.924 178.526 0.398 18261 10528 1 15 . 1 1 20 20 MET CA C 20 57.480 57.480 57.351 0.129 18261 10529 1 15 . 1 1 20 20 MET CB C 20 31.929 31.929 31.155 0.774 18261 10530 1 15 . 1 1 20 20 MET H H 20 8.865 8.865 7.907 0.958 18261 10531 1 15 . 1 1 21 21 ASN N N 21 118.455 118.455 119.653 -1.198 18261 10532 1 15 . 1 1 21 21 ASN HA H 21 4.542 4.542 4.432 0.110 18261 10533 1 15 . 1 1 21 21 ASN C C 21 178.249 178.249 177.916 0.333 18261 10534 1 15 . 1 1 21 21 ASN CA C 21 56.305 56.305 57.103 -0.798 18261 10535 1 15 . 1 1 21 21 ASN CB C 21 37.916 37.916 38.448 -0.532 18261 10536 1 15 . 1 1 21 21 ASN H H 21 8.453 8.453 8.332 0.121 18261 10537 1 15 . 1 1 22 22 SER N N 22 116.036 116.036 116.220 -0.184 18261 10538 1 15 . 1 1 22 22 SER HA H 22 4.196 4.196 4.492 -0.296 18261 10539 1 15 . 1 1 22 22 SER C C 22 178.143 178.143 176.555 1.588 18261 10540 1 15 . 1 1 22 22 SER CA C 22 62.256 62.256 61.217 1.040 18261 10541 1 15 . 1 1 22 22 SER CB C 22 62.870 62.870 62.853 0.017 18261 10542 1 15 . 1 1 22 22 SER H H 22 7.959 7.959 8.213 -0.254 18261 10543 1 15 . 1 1 23 23 PHE N N 23 124.987 124.987 124.733 0.254 18261 10544 1 15 . 1 1 23 23 PHE HA H 23 4.005 4.005 4.218 -0.213 18261 10545 1 15 . 1 1 23 23 PHE C C 23 175.652 175.652 177.297 -1.645 18261 10546 1 15 . 1 1 23 23 PHE CA C 23 60.525 60.525 61.184 -0.659 18261 10547 1 15 . 1 1 23 23 PHE CB C 23 38.899 38.899 38.759 0.140 18261 10548 1 15 . 1 1 23 23 PHE H H 23 9.045 9.045 8.376 0.669 18261 10549 1 15 . 1 1 24 24 MET N N 24 117.260 117.260 118.302 -1.042 18261 10550 1 15 . 1 1 24 24 MET HA H 24 4.040 4.040 3.887 0.153 18261 10551 1 15 . 1 1 24 24 MET C C 24 179.797 179.797 178.131 1.666 18261 10552 1 15 . 1 1 24 24 MET CA C 24 56.047 56.047 57.006 -0.959 18261 10553 1 15 . 1 1 24 24 MET CB C 24 30.308 30.308 31.974 -1.666 18261 10554 1 15 . 1 1 24 24 MET H H 24 8.302 8.302 8.594 -0.292 18261 10555 1 15 . 1 1 25 25 GLN N N 25 120.167 120.167 119.125 1.042 18261 10556 1 15 . 1 1 25 25 GLN HA H 25 3.985 3.985 3.961 0.024 18261 10557 1 15 . 1 1 25 25 GLN C C 25 179.870 179.870 178.621 1.249 18261 10558 1 15 . 1 1 25 25 GLN CA C 25 59.136 59.136 59.155 -0.019 18261 10559 1 15 . 1 1 25 25 GLN CB C 25 28.234 28.234 28.553 -0.319 18261 10560 1 15 . 1 1 25 25 GLN H H 25 8.038 8.038 8.184 -0.146 18261 10561 1 15 . 1 1 26 26 GLY N N 26 107.636 107.636 107.286 0.350 18261 10562 1 15 . 1 1 26 26 GLY C C 26 176.387 176.387 176.414 -0.027 18261 10563 1 15 . 1 1 26 26 GLY CA C 26 46.911 46.911 46.135 0.776 18261 10564 1 15 . 1 1 26 26 GLY H H 26 8.095 8.095 7.837 0.258 18261 10565 1 15 . 1 1 27 27 LEU N N 27 122.877 122.877 123.663 -0.786 18261 10566 1 15 . 1 1 27 27 LEU HA H 27 3.783 3.783 3.901 -0.118 18261 10567 1 15 . 1 1 27 27 LEU C C 27 178.564 178.564 178.735 -0.171 18261 10568 1 15 . 1 1 27 27 LEU CA C 27 57.262 57.262 57.110 0.152 18261 10569 1 15 . 1 1 27 27 LEU CB C 27 42.076 42.076 41.624 0.452 18261 10570 1 15 . 1 1 27 27 LEU H H 27 8.369 8.369 8.030 0.339 18261 10571 1 15 . 1 1 28 28 SER N N 28 109.474 109.474 113.035 -3.561 18261 10572 1 15 . 1 1 28 28 SER HA H 28 4.138 4.138 4.229 -0.091 18261 10573 1 15 . 1 1 28 28 SER C C 28 174.421 174.421 175.392 -0.971 18261 10574 1 15 . 1 1 28 28 SER CA C 28 61.153 61.153 60.815 0.338 18261 10575 1 15 . 1 1 28 28 SER CB C 28 63.320 63.320 62.954 0.366 18261 10576 1 15 . 1 1 28 28 SER H H 28 7.527 7.527 8.216 -0.689 18261 10577 1 15 . 1 1 29 29 SER N N 29 114.550 114.550 115.457 -0.907 18261 10578 1 15 . 1 1 29 29 SER HA H 29 4.734 4.734 4.535 0.199 18261 10579 1 15 . 1 1 29 29 SER C C 29 173.970 173.970 174.196 -0.226 18261 10580 1 15 . 1 1 29 29 SER CA C 29 57.927 57.927 58.721 -0.794 18261 10581 1 15 . 1 1 29 29 SER CB C 29 64.500 64.500 64.035 0.465 18261 10582 1 15 . 1 1 29 29 SER H H 29 7.449 7.449 7.563 -0.114 18261 10583 1 15 . 1 1 30 30 MET N N 30 122.420 122.420 122.466 -0.046 18261 10584 1 15 . 1 1 30 30 MET HA H 30 4.952 4.952 4.841 0.111 18261 10585 1 15 . 1 1 30 30 MET C C 30 174.195 174.195 174.234 -0.039 18261 10586 1 15 . 1 1 30 30 MET CA C 30 53.638 53.638 51.276 2.362 18261 10587 1 15 . 1 1 30 30 MET CB C 30 32.305 32.305 31.858 0.447 18261 10588 1 15 . 1 1 30 30 MET H H 30 7.674 7.674 7.720 -0.046 18261 10589 1 15 . 1 1 31 31 PRO HA H 31 4.669 4.669 4.473 0.196 18261 10590 1 15 . 1 1 31 31 PRO CA C 31 62.880 62.880 63.459 -0.579 18261 10591 1 15 . 1 1 31 31 PRO CB C 31 32.742 32.742 31.660 1.082 18261 10592 1 15 . 1 1 32 32 GLY N N 32 106.222 106.222 110.185 -3.963 18261 10593 1 15 . 1 1 32 32 GLY C C 32 172.454 172.454 173.006 -0.552 18261 10594 1 15 . 1 1 32 32 GLY CA C 32 45.608 45.608 45.409 0.199 18261 10595 1 15 . 1 1 32 32 GLY H H 32 8.415 8.415 8.449 -0.034 18261 10596 1 15 . 1 1 33 33 PHE N N 33 116.404 116.404 119.441 -3.037 18261 10597 1 15 . 1 1 33 33 PHE HA H 33 5.167 5.167 5.256 -0.089 18261 10598 1 15 . 1 1 33 33 PHE C C 33 176.387 176.387 174.887 1.500 18261 10599 1 15 . 1 1 33 33 PHE CA C 33 56.750 56.750 57.355 -0.605 18261 10600 1 15 . 1 1 33 33 PHE CB C 33 42.080 42.080 41.691 0.389 18261 10601 1 15 . 1 1 33 33 PHE H H 33 7.871 7.871 7.463 0.408 18261 10602 1 15 . 1 1 34 34 THR N N 34 113.684 113.684 111.682 2.002 18261 10603 1 15 . 1 1 34 34 THR HA H 34 4.545 4.545 4.487 0.058 18261 10604 1 15 . 1 1 34 34 THR C C 34 175.066 175.066 174.614 0.452 18261 10605 1 15 . 1 1 34 34 THR CA C 34 60.339 60.339 59.789 0.550 18261 10606 1 15 . 1 1 34 34 THR CB C 34 70.381 70.381 71.002 -0.621 18261 10607 1 15 . 1 1 34 34 THR H H 34 8.899 8.899 7.907 0.992 18261 10608 1 15 . 1 1 35 35 ALA N N 35 122.927 122.927 126.128 -3.201 18261 10609 1 15 . 1 1 35 35 ALA HA H 35 4.092 4.092 4.193 -0.101 18261 10610 1 15 . 1 1 35 35 ALA C C 35 180.755 180.755 179.575 1.180 18261 10611 1 15 . 1 1 35 35 ALA CA C 35 55.827 55.827 55.393 0.434 18261 10612 1 15 . 1 1 35 35 ALA CB C 35 18.098 18.098 18.657 -0.559 18261 10613 1 15 . 1 1 35 35 ALA H H 35 8.864 8.864 8.707 0.157 18261 10614 1 15 . 1 1 36 36 SER N N 36 112.708 112.708 113.390 -0.682 18261 10615 1 15 . 1 1 36 36 SER HA H 36 4.276 4.276 4.176 0.100 18261 10616 1 15 . 1 1 36 36 SER C C 36 177.033 177.033 176.709 0.324 18261 10617 1 15 . 1 1 36 36 SER CA C 36 61.403 61.403 61.657 -0.254 18261 10618 1 15 . 1 1 36 36 SER CB C 36 62.371 62.371 62.651 -0.280 18261 10619 1 15 . 1 1 36 36 SER H H 36 8.389 8.389 8.285 0.104 18261 10620 1 15 . 1 1 37 37 GLN N N 37 121.595 121.595 121.431 0.164 18261 10621 1 15 . 1 1 37 37 GLN HA H 37 4.272 4.272 4.179 0.093 18261 10622 1 15 . 1 1 37 37 GLN C C 37 179.149 179.149 178.700 0.449 18261 10623 1 15 . 1 1 37 37 GLN CA C 37 58.638 58.638 58.997 -0.359 18261 10624 1 15 . 1 1 37 37 GLN CB C 37 29.123 29.123 28.400 0.723 18261 10625 1 15 . 1 1 37 37 GLN H H 37 7.621 7.621 7.672 -0.051 18261 10626 1 15 . 1 1 38 38 LEU N N 38 119.852 119.852 121.229 -1.377 18261 10627 1 15 . 1 1 38 38 LEU HA H 38 3.838 3.838 3.946 -0.108 18261 10628 1 15 . 1 1 38 38 LEU C C 38 179.675 179.675 179.224 0.451 18261 10629 1 15 . 1 1 38 38 LEU CA C 38 57.929 57.929 58.430 -0.501 18261 10630 1 15 . 1 1 38 38 LEU CB C 38 40.918 40.918 41.521 -0.603 18261 10631 1 15 . 1 1 38 38 LEU H H 38 8.341 8.341 8.724 -0.383 18261 10632 1 15 . 1 1 39 39 ASP N N 39 122.065 122.065 119.795 2.270 18261 10633 1 15 . 1 1 39 39 ASP HA H 39 4.439 4.439 4.253 0.186 18261 10634 1 15 . 1 1 39 39 ASP C C 39 179.224 179.224 178.313 0.911 18261 10635 1 15 . 1 1 39 39 ASP CA C 39 57.710 57.710 58.032 -0.322 18261 10636 1 15 . 1 1 39 39 ASP CB C 39 40.245 40.245 40.862 -0.617 18261 10637 1 15 . 1 1 39 39 ASP H H 39 7.955 7.955 8.450 -0.495 18261 10638 1 15 . 1 1 40 40 ASP N N 40 121.957 121.957 119.995 1.962 18261 10639 1 15 . 1 1 40 40 ASP HA H 40 4.483 4.483 4.389 0.094 18261 10640 1 15 . 1 1 40 40 ASP C C 40 179.600 179.600 178.575 1.025 18261 10641 1 15 . 1 1 40 40 ASP CA C 40 57.745 57.745 57.286 0.459 18261 10642 1 15 . 1 1 40 40 ASP CB C 40 40.190 40.190 40.796 -0.606 18261 10643 1 15 . 1 1 40 40 ASP H H 40 8.022 8.022 7.854 0.168 18261 10644 1 15 . 1 1 41 41 MET N N 41 121.160 121.160 120.347 0.813 18261 10645 1 15 . 1 1 41 41 MET HA H 41 4.204 4.204 4.085 0.119 18261 10646 1 15 . 1 1 41 41 MET C C 41 177.693 177.693 178.031 -0.338 18261 10647 1 15 . 1 1 41 41 MET CA C 41 57.634 57.634 58.002 -0.368 18261 10648 1 15 . 1 1 41 41 MET CB C 41 31.422 31.422 32.327 -0.905 18261 10649 1 15 . 1 1 41 41 MET H H 41 8.668 8.668 8.556 0.112 18261 10650 1 15 . 1 1 42 42 SER N N 42 116.421 116.421 114.009 2.412 18261 10651 1 15 . 1 1 42 42 SER HA H 42 4.304 4.304 4.194 0.110 18261 10652 1 15 . 1 1 42 42 SER C C 42 177.483 177.483 176.548 0.935 18261 10653 1 15 . 1 1 42 42 SER CA C 42 62.075 62.075 62.094 -0.019 18261 10654 1 15 . 1 1 42 42 SER CB C 42 62.765 62.765 63.011 -0.246 18261 10655 1 15 . 1 1 42 42 SER H H 42 8.375 8.375 8.342 0.033 18261 10656 1 15 . 1 1 43 43 THR N N 43 118.797 118.797 118.922 -0.125 18261 10657 1 15 . 1 1 43 43 THR HA H 43 4.042 4.042 4.295 -0.253 18261 10658 1 15 . 1 1 43 43 THR C C 43 177.258 177.258 176.944 0.314 18261 10659 1 15 . 1 1 43 43 THR CA C 43 66.584 66.584 66.377 0.207 18261 10660 1 15 . 1 1 43 43 THR CB C 43 68.490 68.490 68.733 -0.243 18261 10661 1 15 . 1 1 43 43 THR H H 43 7.928 7.928 7.729 0.199 18261 10662 1 15 . 1 1 44 44 ILE N N 44 122.960 122.960 121.121 1.839 18261 10663 1 15 . 1 1 44 44 ILE HA H 44 3.930 3.930 3.772 0.158 18261 10664 1 15 . 1 1 44 44 ILE C C 44 178.564 178.564 177.485 1.079 18261 10665 1 15 . 1 1 44 44 ILE CA C 44 64.483 64.483 62.817 1.666 18261 10666 1 15 . 1 1 44 44 ILE CB C 44 38.015 38.015 36.154 1.861 18261 10667 1 15 . 1 1 44 44 ILE H H 44 7.863 7.863 8.458 -0.595 18261 10668 1 15 . 1 1 45 45 ALA N N 45 124.792 124.792 123.548 1.244 18261 10669 1 15 . 1 1 45 45 ALA HA H 45 4.122 4.122 3.870 0.252 18261 10670 1 15 . 1 1 45 45 ALA C C 45 179.404 179.404 179.671 -0.267 18261 10671 1 15 . 1 1 45 45 ALA CA C 45 56.009 56.009 55.278 0.731 18261 10672 1 15 . 1 1 45 45 ALA CB C 45 18.908 18.908 17.988 0.921 18261 10673 1 15 . 1 1 45 45 ALA H H 45 8.853 8.853 7.780 1.073 18261 10674 1 15 . 1 1 46 46 GLN N N 46 116.307 116.307 118.096 -1.789 18261 10675 1 15 . 1 1 46 46 GLN HA H 46 4.068 4.068 4.133 -0.065 18261 10676 1 15 . 1 1 46 46 GLN C C 46 179.014 179.014 178.821 0.193 18261 10677 1 15 . 1 1 46 46 GLN CA C 46 58.903 58.903 58.786 0.117 18261 10678 1 15 . 1 1 46 46 GLN CB C 46 28.250 28.250 28.222 0.028 18261 10679 1 15 . 1 1 46 46 GLN H H 46 8.238 8.238 7.982 0.256 18261 10680 1 15 . 1 1 47 47 SER N N 47 115.959 115.959 115.242 0.717 18261 10681 1 15 . 1 1 47 47 SER HA H 47 4.261 4.261 4.130 0.131 18261 10682 1 15 . 1 1 47 47 SER C C 47 177.483 177.483 176.640 0.843 18261 10683 1 15 . 1 1 47 47 SER CA C 47 61.526 61.526 61.273 0.253 18261 10684 1 15 . 1 1 47 47 SER CB C 47 62.842 62.842 63.070 -0.228 18261 10685 1 15 . 1 1 47 47 SER H H 47 8.223 8.223 7.801 0.422 18261 10686 1 15 . 1 1 48 48 MET N N 48 121.963 121.963 119.327 2.636 18261 10687 1 15 . 1 1 48 48 MET HA H 48 4.110 4.110 4.351 -0.241 18261 10688 1 15 . 1 1 48 48 MET C C 48 177.798 177.798 177.758 0.040 18261 10689 1 15 . 1 1 48 48 MET CA C 48 57.531 57.531 57.492 0.039 18261 10690 1 15 . 1 1 48 48 MET CB C 48 31.169 31.169 32.326 -1.157 18261 10691 1 15 . 1 1 48 48 MET H H 48 8.245 8.245 7.942 0.303 18261 10692 1 15 . 1 1 49 49 VAL N N 49 119.045 119.045 121.651 -2.606 18261 10693 1 15 . 1 1 49 49 VAL HA H 49 3.300 3.300 3.572 -0.272 18261 10694 1 15 . 1 1 49 49 VAL C C 49 177.910 177.910 178.129 -0.219 18261 10695 1 15 . 1 1 49 49 VAL CA C 49 67.811 67.811 67.048 0.763 18261 10696 1 15 . 1 1 49 49 VAL CB C 49 31.370 31.370 30.570 0.800 18261 10697 1 15 . 1 1 49 49 VAL H H 49 7.809 7.809 8.100 -0.291 18261 10698 1 15 . 1 1 50 50 GLN N N 50 118.357 118.357 118.735 -0.378 18261 10699 1 15 . 1 1 50 50 GLN HA H 50 4.091 4.091 4.020 0.071 18261 10700 1 15 . 1 1 50 50 GLN C C 50 179.449 179.449 178.361 1.088 18261 10701 1 15 . 1 1 50 50 GLN CA C 50 59.056 59.056 58.814 0.242 18261 10702 1 15 . 1 1 50 50 GLN CB C 50 28.020 28.020 27.900 0.120 18261 10703 1 15 . 1 1 50 50 GLN H H 50 8.225 8.225 8.235 -0.010 18261 10704 1 15 . 1 1 51 51 SER N N 51 117.253 117.253 113.638 3.615 18261 10705 1 15 . 1 1 51 51 SER HA H 51 4.235 4.235 4.350 -0.115 18261 10706 1 15 . 1 1 51 51 SER C C 51 176.374 176.374 176.147 0.227 18261 10707 1 15 . 1 1 51 51 SER CA C 51 62.752 62.752 60.580 2.172 18261 10708 1 15 . 1 1 51 51 SER CB C 51 62.963 62.963 62.546 0.417 18261 10709 1 15 . 1 1 51 51 SER H H 51 8.328 8.328 7.559 0.769 18261 10710 1 15 . 1 1 52 52 ILE N N 52 123.114 123.114 123.626 -0.512 18261 10711 1 15 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.773 -0.174 18261 10712 1 15 . 1 1 52 52 ILE C C 52 178.684 178.684 177.628 1.056 18261 10713 1 15 . 1 1 52 52 ILE CA C 52 64.736 64.736 63.638 1.098 18261 10714 1 15 . 1 1 52 52 ILE CB C 52 37.838 37.838 36.582 1.256 18261 10715 1 15 . 1 1 52 52 ILE H H 52 8.147 8.147 7.128 1.019 18261 10716 1 15 . 1 1 53 53 GLN N N 53 120.011 120.011 119.251 0.760 18261 10717 1 15 . 1 1 53 53 GLN HA H 53 3.946 3.946 3.960 -0.014 18261 10718 1 15 . 1 1 53 53 GLN C C 53 179.014 179.014 178.788 0.226 18261 10719 1 15 . 1 1 53 53 GLN CA C 53 59.501 59.501 58.770 0.731 18261 10720 1 15 . 1 1 53 53 GLN CB C 53 27.901 27.901 27.949 -0.048 18261 10721 1 15 . 1 1 53 53 GLN H H 53 8.583 8.583 8.452 0.131 18261 10722 1 15 . 1 1 54 54 SER N N 54 115.479 115.479 114.723 0.756 18261 10723 1 15 . 1 1 54 54 SER HA H 54 4.302 4.302 4.275 0.027 18261 10724 1 15 . 1 1 54 54 SER C C 54 176.822 176.822 176.583 0.239 18261 10725 1 15 . 1 1 54 54 SER CA C 54 61.492 61.492 61.409 0.083 18261 10726 1 15 . 1 1 54 54 SER CB C 54 62.880 62.880 63.248 -0.368 18261 10727 1 15 . 1 1 54 54 SER H H 54 8.271 8.271 7.634 0.637 18261 10728 1 15 . 1 1 55 55 LEU N N 55 121.519 121.519 122.792 -1.273 18261 10729 1 15 . 1 1 55 55 LEU HA H 55 4.068 4.068 3.997 0.071 18261 10730 1 15 . 1 1 55 55 LEU C C 55 179.434 179.434 178.110 1.324 18261 10731 1 15 . 1 1 55 55 LEU CA C 55 57.793 57.793 58.371 -0.578 18261 10732 1 15 . 1 1 55 55 LEU CB C 55 42.245 42.245 41.833 0.412 18261 10733 1 15 . 1 1 55 55 LEU H H 55 7.974 7.974 7.666 0.308 18261 10734 1 15 . 1 1 56 56 ALA N N 56 121.040 121.040 117.039 4.001 18261 10735 1 15 . 1 1 56 56 ALA HA H 56 4.228 4.228 4.292 -0.064 18261 10736 1 15 . 1 1 56 56 ALA C C 56 180.530 180.530 177.656 2.874 18261 10737 1 15 . 1 1 56 56 ALA CA C 56 54.331 54.331 53.137 1.194 18261 10738 1 15 . 1 1 56 56 ALA CB C 56 18.075 18.075 18.709 -0.634 18261 10739 1 15 . 1 1 56 56 ALA H H 56 8.032 8.032 7.952 0.080 18261 10740 1 15 . 1 1 57 57 ALA N N 57 121.325 121.325 120.911 0.414 18261 10741 1 15 . 1 1 57 57 ALA HA H 57 4.219 4.219 4.290 -0.071 18261 10742 1 15 . 1 1 57 57 ALA C C 57 179.344 179.344 179.204 0.140 18261 10743 1 15 . 1 1 57 57 ALA CA C 57 54.446 54.446 53.902 0.544 18261 10744 1 15 . 1 1 57 57 ALA CB C 57 18.470 18.470 19.366 -0.895 18261 10745 1 15 . 1 1 57 57 ALA H H 57 8.030 8.030 7.476 0.554 18261 10746 1 15 . 1 1 58 58 GLN N N 58 114.257 114.257 116.812 -2.555 18261 10747 1 15 . 1 1 58 58 GLN HA H 58 4.356 4.356 4.273 0.083 18261 10748 1 15 . 1 1 58 58 GLN C C 58 176.612 176.612 176.761 -0.149 18261 10749 1 15 . 1 1 58 58 GLN CA C 58 55.957 55.957 56.285 -0.328 18261 10750 1 15 . 1 1 58 58 GLN CB C 58 29.767 29.767 29.564 0.203 18261 10751 1 15 . 1 1 58 58 GLN H H 58 7.751 7.751 8.238 -0.487 18261 10752 1 15 . 1 1 59 59 GLY N N 59 108.304 108.304 107.276 1.028 18261 10753 1 15 . 1 1 59 59 GLY C C 59 174.856 174.856 174.579 0.277 18261 10754 1 15 . 1 1 59 59 GLY CA C 59 46.197 46.197 45.557 0.640 18261 10755 1 15 . 1 1 59 59 GLY H H 59 7.910 7.910 7.796 0.114 18261 10756 1 15 . 1 1 60 60 ARG N N 60 118.258 118.258 117.835 0.423 18261 10757 1 15 . 1 1 60 60 ARG HA H 60 4.553 4.553 4.538 0.015 18261 10758 1 15 . 1 1 60 60 ARG C C 60 175.847 175.847 175.580 0.267 18261 10759 1 15 . 1 1 60 60 ARG CA C 60 55.658 55.658 54.650 1.008 18261 10760 1 15 . 1 1 60 60 ARG CB C 60 31.714 31.714 31.242 0.472 18261 10761 1 15 . 1 1 60 60 ARG H H 60 8.108 8.108 8.083 0.025 18261 10762 1 15 . 1 1 61 61 THR N N 61 115.924 115.924 113.582 2.342 18261 10763 1 15 . 1 1 61 61 THR HA H 61 4.785 4.785 4.275 0.510 18261 10764 1 15 . 1 1 61 61 THR C C 61 173.654 173.654 174.300 -0.646 18261 10765 1 15 . 1 1 61 61 THR CA C 61 63.140 63.140 63.028 0.112 18261 10766 1 15 . 1 1 61 61 THR CB C 61 68.602 68.602 68.279 0.323 18261 10767 1 15 . 1 1 61 61 THR H H 61 7.970 7.970 7.758 0.212 18261 10768 1 15 . 1 1 62 62 SER N N 62 119.666 119.666 121.351 -1.685 18261 10769 1 15 . 1 1 62 62 SER HA H 62 4.902 4.902 5.117 -0.215 18261 10770 1 15 . 1 1 62 62 SER C C 62 173.207 173.207 173.465 -0.258 18261 10771 1 15 . 1 1 62 62 SER CA C 62 56.193 56.193 54.459 1.734 18261 10772 1 15 . 1 1 62 62 SER CB C 62 63.781 63.781 65.196 -1.415 18261 10773 1 15 . 1 1 62 62 SER H H 62 7.788 7.788 7.908 -0.120 18261 10774 1 15 . 1 1 63 63 PRO HA H 63 4.313 4.313 4.306 0.007 18261 10775 1 15 . 1 1 63 63 PRO CA C 63 65.746 65.746 65.561 0.185 18261 10776 1 15 . 1 1 63 63 PRO CB C 63 32.147 32.147 31.874 0.273 18261 10777 1 15 . 1 1 64 64 ASN HA H 64 4.550 4.550 4.539 0.011 18261 10778 1 15 . 1 1 64 64 ASN CA C 64 56.202 56.202 55.962 0.239 18261 10779 1 15 . 1 1 64 64 ASN CB C 64 38.000 38.000 38.354 -0.354 18261 10780 1 15 . 1 1 65 65 LYS N N 65 120.530 120.530 120.002 0.528 18261 10781 1 15 . 1 1 65 65 LYS HA H 65 4.197 4.197 4.077 0.120 18261 10782 1 15 . 1 1 65 65 LYS C C 65 178.999 178.999 179.216 -0.217 18261 10783 1 15 . 1 1 65 65 LYS CA C 65 58.250 58.250 59.478 -1.228 18261 10784 1 15 . 1 1 65 65 LYS CB C 65 32.498 32.498 32.659 -0.161 18261 10785 1 15 . 1 1 65 65 LYS H H 65 7.770 7.770 7.689 0.081 18261 10786 1 15 . 1 1 66 66 LEU N N 66 118.804 118.804 118.832 -0.028 18261 10787 1 15 . 1 1 66 66 LEU HA H 66 4.070 4.070 4.159 -0.089 18261 10788 1 15 . 1 1 66 66 LEU C C 66 178.928 178.928 178.807 0.121 18261 10789 1 15 . 1 1 66 66 LEU CA C 66 57.928 57.928 57.429 0.499 18261 10790 1 15 . 1 1 66 66 LEU CB C 66 41.329 41.329 41.499 -0.170 18261 10791 1 15 . 1 1 66 66 LEU H H 66 7.932 7.932 8.532 -0.600 18261 10792 1 15 . 1 1 67 67 GLN N N 67 119.307 119.307 119.134 0.173 18261 10793 1 15 . 1 1 67 67 GLN HA H 67 4.224 4.224 4.057 0.167 18261 10794 1 15 . 1 1 67 67 GLN C C 67 178.789 178.789 178.271 0.518 18261 10795 1 15 . 1 1 67 67 GLN CA C 67 58.862 58.862 59.311 -0.449 18261 10796 1 15 . 1 1 67 67 GLN CB C 67 28.052 28.052 28.497 -0.445 18261 10797 1 15 . 1 1 67 67 GLN H H 67 8.160 8.160 8.196 -0.036 18261 10798 1 15 . 1 1 68 68 ALA N N 68 122.124 122.124 121.750 0.374 18261 10799 1 15 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.141 0.049 18261 10800 1 15 . 1 1 68 68 ALA C C 68 180.320 180.320 179.638 0.682 18261 10801 1 15 . 1 1 68 68 ALA CA C 68 55.282 55.282 54.955 0.328 18261 10802 1 15 . 1 1 68 68 ALA CB C 68 18.251 18.251 18.295 -0.044 18261 10803 1 15 . 1 1 68 68 ALA H H 68 7.844 7.844 7.587 0.257 18261 10804 1 15 . 1 1 69 69 LEU N N 69 119.481 119.481 118.853 0.628 18261 10805 1 15 . 1 1 69 69 LEU HA H 69 3.912 3.912 3.869 0.043 18261 10806 1 15 . 1 1 69 69 LEU C C 69 178.864 178.864 179.236 -0.372 18261 10807 1 15 . 1 1 69 69 LEU CA C 69 57.904 57.904 57.070 0.834 18261 10808 1 15 . 1 1 69 69 LEU CB C 69 41.052 41.052 39.960 1.092 18261 10809 1 15 . 1 1 69 69 LEU H H 69 7.819 7.819 7.682 0.137 18261 10810 1 15 . 1 1 70 70 ASN N N 70 119.633 119.633 119.009 0.624 18261 10811 1 15 . 1 1 70 70 ASN HA H 70 4.553 4.553 4.954 -0.401 18261 10812 1 15 . 1 1 70 70 ASN C C 70 177.483 177.483 178.022 -0.539 18261 10813 1 15 . 1 1 70 70 ASN CA C 70 57.125 57.125 56.759 0.366 18261 10814 1 15 . 1 1 70 70 ASN CB C 70 38.392 38.392 38.527 -0.135 18261 10815 1 15 . 1 1 70 70 ASN H H 70 8.265 8.265 8.103 0.162 18261 10816 1 15 . 1 1 71 71 MET N N 71 118.024 118.024 118.787 -0.763 18261 10817 1 15 . 1 1 71 71 MET HA H 71 4.201 4.201 4.337 -0.136 18261 10818 1 15 . 1 1 71 71 MET C C 71 178.279 178.279 178.563 -0.284 18261 10819 1 15 . 1 1 71 71 MET CA C 71 59.445 59.445 59.307 0.138 18261 10820 1 15 . 1 1 71 71 MET CB C 71 32.313 32.313 32.545 -0.232 18261 10821 1 15 . 1 1 71 71 MET H H 71 8.098 8.098 7.704 0.394 18261 10822 1 15 . 1 1 72 72 ARG N N 72 121.985 121.985 120.844 1.141 18261 10823 1 15 . 1 1 72 72 ARG HA H 72 3.981 3.981 3.970 0.011 18261 10824 1 15 . 1 1 72 72 ARG C C 72 179.059 179.059 178.645 0.414 18261 10825 1 15 . 1 1 72 72 ARG CA C 72 59.058 59.058 59.635 -0.577 18261 10826 1 15 . 1 1 72 72 ARG CB C 72 30.120 30.120 30.097 0.023 18261 10827 1 15 . 1 1 72 72 ARG H H 72 8.292 8.292 8.115 0.177 18261 10828 1 15 . 1 1 73 73 PHE N N 73 122.085 122.085 120.717 1.368 18261 10829 1 15 . 1 1 73 73 PHE HA H 73 4.529 4.529 4.196 0.333 18261 10830 1 15 . 1 1 73 73 PHE C C 73 177.258 177.258 177.005 0.253 18261 10831 1 15 . 1 1 73 73 PHE CA C 73 59.248 59.248 60.631 -1.383 18261 10832 1 15 . 1 1 73 73 PHE CB C 73 39.527 39.527 38.699 0.828 18261 10833 1 15 . 1 1 73 73 PHE H H 73 8.703 8.703 8.599 0.104 18261 10834 1 15 . 1 1 74 74 ALA N N 74 119.273 119.273 120.941 -1.668 18261 10835 1 15 . 1 1 74 74 ALA HA H 74 3.764 3.764 3.755 0.009 18261 10836 1 15 . 1 1 74 74 ALA C C 74 179.374 179.374 179.474 -0.100 18261 10837 1 15 . 1 1 74 74 ALA CA C 74 55.324 55.324 55.063 0.261 18261 10838 1 15 . 1 1 74 74 ALA CB C 74 20.509 20.509 18.635 1.874 18261 10839 1 15 . 1 1 74 74 ALA H H 74 8.598 8.598 7.914 0.684 18261 10840 1 15 . 1 1 75 75 SER N N 75 113.611 113.611 113.709 -0.098 18261 10841 1 15 . 1 1 75 75 SER HA H 75 3.636 3.636 4.241 -0.605 18261 10842 1 15 . 1 1 75 75 SER CA C 75 61.936 61.936 61.387 0.549 18261 10843 1 15 . 1 1 75 75 SER CB C 75 61.869 61.869 62.685 -0.816 18261 10844 1 15 . 1 1 75 75 SER H H 75 8.780 8.780 8.283 0.497 18261 10845 1 15 . 1 1 76 76 SER N N 76 119.013 119.013 119.384 -0.371 18261 10846 1 15 . 1 1 76 76 SER HA H 76 4.310 4.310 4.618 -0.308 18261 10847 1 15 . 1 1 76 76 SER CA C 76 62.536 62.536 61.284 1.252 18261 10848 1 15 . 1 1 76 76 SER CB C 76 62.943 62.943 62.868 0.075 18261 10849 1 15 . 1 1 76 76 SER H H 76 8.210 8.210 8.183 0.027 18261 10850 1 15 . 1 1 77 77 MET N N 77 120.105 120.105 121.597 -1.492 18261 10851 1 15 . 1 1 77 77 MET HA H 77 4.027 4.027 4.288 -0.261 18261 10852 1 15 . 1 1 77 77 MET C C 77 178.354 178.354 178.526 -0.172 18261 10853 1 15 . 1 1 77 77 MET CA C 77 59.954 59.954 58.978 0.976 18261 10854 1 15 . 1 1 77 77 MET CB C 77 34.616 34.616 32.417 2.199 18261 10855 1 15 . 1 1 77 77 MET H H 77 8.005 8.005 7.446 0.559 18261 10856 1 15 . 1 1 78 78 ALA N N 78 121.530 121.530 122.519 -0.989 18261 10857 1 15 . 1 1 78 78 ALA HA H 78 3.933 3.933 4.042 -0.109 18261 10858 1 15 . 1 1 78 78 ALA C C 78 178.354 178.354 179.694 -1.340 18261 10859 1 15 . 1 1 78 78 ALA CA C 78 55.427 55.427 55.343 0.084 18261 10860 1 15 . 1 1 78 78 ALA CB C 78 20.344 20.344 17.834 2.510 18261 10861 1 15 . 1 1 78 78 ALA H H 78 8.550 8.550 7.803 0.748 18261 10862 1 15 . 1 1 79 79 GLU N N 79 117.137 117.137 117.749 -0.612 18261 10863 1 15 . 1 1 79 79 GLU HA H 79 3.919 3.919 4.056 -0.138 18261 10864 1 15 . 1 1 79 79 GLU C C 79 178.894 178.894 178.225 0.669 18261 10865 1 15 . 1 1 79 79 GLU CA C 79 59.445 59.445 58.994 0.451 18261 10866 1 15 . 1 1 79 79 GLU CB C 79 29.895 29.895 29.672 0.223 18261 10867 1 15 . 1 1 79 79 GLU H H 79 7.737 7.737 7.955 -0.218 18261 10868 1 15 . 1 1 80 80 ILE N N 80 118.063 118.063 118.188 -0.125 18261 10869 1 15 . 1 1 80 80 ILE HA H 80 3.932 3.932 3.981 -0.049 18261 10870 1 15 . 1 1 80 80 ILE C C 80 179.014 179.014 177.823 1.191 18261 10871 1 15 . 1 1 80 80 ILE CA C 80 63.727 63.727 63.938 -0.211 18261 10872 1 15 . 1 1 80 80 ILE CB C 80 38.208 38.208 38.415 -0.207 18261 10873 1 15 . 1 1 80 80 ILE H H 80 7.239 7.239 7.178 0.061 18261 10874 1 15 . 1 1 81 81 ALA N N 81 121.494 121.494 122.092 -0.598 18261 10875 1 15 . 1 1 81 81 ALA HA H 81 3.961 3.961 4.276 -0.315 18261 10876 1 15 . 1 1 81 81 ALA C C 81 177.258 177.258 178.368 -1.110 18261 10877 1 15 . 1 1 81 81 ALA CA C 81 54.668 54.668 53.895 0.773 18261 10878 1 15 . 1 1 81 81 ALA CB C 81 17.887 17.887 18.472 -0.585 18261 10879 1 15 . 1 1 81 81 ALA H H 81 8.495 8.495 8.545 -0.050 18261 10880 1 15 . 1 1 82 82 ALA N N 82 116.416 116.416 119.336 -2.920 18261 10881 1 15 . 1 1 82 82 ALA HA H 82 4.316 4.316 4.112 0.204 18261 10882 1 15 . 1 1 82 82 ALA C C 82 177.693 177.693 177.756 -0.063 18261 10883 1 15 . 1 1 82 82 ALA CA C 82 52.630 52.630 53.368 -0.738 18261 10884 1 15 . 1 1 82 82 ALA CB C 82 19.224 19.224 18.919 0.305 18261 10885 1 15 . 1 1 82 82 ALA H H 82 8.034 8.034 7.785 0.249 18261 10886 1 15 . 1 1 83 83 SER N N 83 112.672 112.672 113.686 -1.014 18261 10887 1 15 . 1 1 83 83 SER HA H 83 4.299 4.299 4.384 -0.085 18261 10888 1 15 . 1 1 83 83 SER C C 83 174.856 174.856 174.546 0.310 18261 10889 1 15 . 1 1 83 83 SER CA C 83 59.329 59.329 57.090 2.239 18261 10890 1 15 . 1 1 83 83 SER CB C 83 63.943 63.943 62.434 1.509 18261 10891 1 15 . 1 1 83 83 SER H H 83 7.437 7.437 7.619 -0.182 18261 10892 1 15 . 1 1 84 84 GLU N N 84 122.890 122.890 126.282 -3.392 18261 10893 1 15 . 1 1 84 84 GLU HA H 84 4.420 4.420 4.102 0.318 18261 10894 1 15 . 1 1 84 84 GLU C C 84 176.597 176.597 176.836 -0.239 18261 10895 1 15 . 1 1 84 84 GLU CA C 84 56.586 56.586 57.798 -1.212 18261 10896 1 15 . 1 1 84 84 GLU CB C 84 30.648 30.648 29.564 1.084 18261 10897 1 15 . 1 1 84 84 GLU H H 84 8.245 8.245 7.965 0.280 18261 10898 1 15 . 1 1 85 85 GLU N N 85 122.062 122.062 118.001 4.061 18261 10899 1 15 . 1 1 85 85 GLU HA H 85 4.285 4.285 4.046 0.239 18261 10900 1 15 . 1 1 85 85 GLU C C 85 177.258 177.258 177.530 -0.272 18261 10901 1 15 . 1 1 85 85 GLU CA C 85 57.128 57.128 58.177 -1.049 18261 10902 1 15 . 1 1 85 85 GLU CB C 85 30.121 30.121 29.626 0.495 18261 10903 1 15 . 1 1 85 85 GLU H H 85 8.477 8.477 8.070 0.407 18261 10904 1 15 . 1 1 86 86 GLY N N 86 110.431 110.431 107.327 3.104 18261 10905 1 15 . 1 1 86 86 GLY C C 86 174.856 174.856 173.681 1.175 18261 10906 1 15 . 1 1 86 86 GLY CA C 86 45.654 45.654 44.369 1.285 18261 10907 1 15 . 1 1 86 86 GLY H H 86 8.563 8.563 7.674 0.889 18261 10908 1 15 . 1 1 87 87 GLY N N 87 108.508 108.508 114.394 -5.886 18261 10909 1 15 . 1 1 87 87 GLY C C 87 174.436 174.436 173.526 0.910 18261 10910 1 15 . 1 1 87 87 GLY CA C 87 45.396 45.396 44.465 0.931 18261 10911 1 15 . 1 1 87 87 GLY H H 87 8.274 8.274 7.712 0.562 18261 10912 1 15 . 1 1 88 88 GLY N N 88 107.821 107.821 108.607 -0.786 18261 10913 1 15 . 1 1 88 88 GLY C C 88 173.325 173.325 173.229 0.096 18261 10914 1 15 . 1 1 88 88 GLY CA C 88 44.814 44.814 43.516 1.298 18261 10915 1 15 . 1 1 88 88 GLY H H 88 8.105 8.105 8.371 -0.266 18261 10916 1 15 . 1 1 89 89 SER N N 89 115.747 115.747 114.580 1.167 18261 10917 1 15 . 1 1 89 89 SER HA H 89 4.582 4.582 4.322 0.260 18261 10918 1 15 . 1 1 89 89 SER C C 89 175.066 175.066 175.885 -0.819 18261 10919 1 15 . 1 1 89 89 SER CA C 89 57.256 57.256 58.223 -0.967 18261 10920 1 15 . 1 1 89 89 SER CB C 89 65.130 65.130 63.785 1.345 18261 10921 1 15 . 1 1 89 89 SER H H 89 8.476 8.476 8.243 0.233 18261 10922 1 15 . 1 1 90 90 LEU N N 90 124.735 124.735 123.198 1.537 18261 10923 1 15 . 1 1 90 90 LEU HA H 90 4.106 4.106 4.078 0.028 18261 10924 1 15 . 1 1 90 90 LEU C C 90 179.434 179.434 178.257 1.177 18261 10925 1 15 . 1 1 90 90 LEU CA C 90 58.434 58.434 57.393 1.041 18261 10926 1 15 . 1 1 90 90 LEU CB C 90 41.377 41.377 41.215 0.162 18261 10927 1 15 . 1 1 90 90 LEU H H 90 8.860 8.860 9.525 -0.665 18261 10928 1 15 . 1 1 91 91 SER N N 91 113.851 113.851 114.744 -0.893 18261 10929 1 15 . 1 1 91 91 SER C C 91 177.325 177.325 176.150 1.175 18261 10930 1 15 . 1 1 91 91 SER CA C 91 61.261 61.261 61.995 -0.734 18261 10931 1 15 . 1 1 91 91 SER CB C 91 62.010 62.010 62.717 -0.707 18261 10932 1 15 . 1 1 91 91 SER H H 91 8.537 8.537 8.776 -0.239 18261 10933 1 15 . 1 1 92 92 THR N N 92 120.889 120.889 118.671 2.218 18261 10934 1 15 . 1 1 92 92 THR HA H 92 3.993 3.993 4.069 -0.076 18261 10935 1 15 . 1 1 92 92 THR C C 92 176.162 176.162 176.612 -0.450 18261 10936 1 15 . 1 1 92 92 THR CA C 92 66.467 66.467 66.239 0.228 18261 10937 1 15 . 1 1 92 92 THR CB C 92 68.285 68.285 68.627 -0.342 18261 10938 1 15 . 1 1 92 92 THR H H 92 7.795 7.795 7.384 0.411 18261 10939 1 15 . 1 1 93 93 LYS N N 93 120.210 120.210 122.726 -2.516 18261 10940 1 15 . 1 1 93 93 LYS HA H 93 3.798 3.798 3.716 0.082 18261 10941 1 15 . 1 1 93 93 LYS CA C 93 61.044 61.044 60.071 0.973 18261 10942 1 15 . 1 1 93 93 LYS CB C 93 33.470 33.470 31.888 1.582 18261 10943 1 15 . 1 1 93 93 LYS H H 93 8.098 8.098 7.882 0.216 18261 10944 1 15 . 1 1 94 94 THR N N 94 111.485 111.485 113.590 -2.105 18261 10945 1 15 . 1 1 94 94 THR HA H 94 3.936 3.936 4.156 -0.220 18261 10946 1 15 . 1 1 94 94 THR C C 94 177.033 177.033 176.711 0.322 18261 10947 1 15 . 1 1 94 94 THR CA C 94 66.974 66.974 65.999 0.975 18261 10948 1 15 . 1 1 94 94 THR CB C 94 68.013 68.013 68.679 -0.666 18261 10949 1 15 . 1 1 94 94 THR H H 94 8.891 8.891 8.461 0.430 18261 10950 1 15 . 1 1 95 95 SER N N 95 118.938 118.938 117.091 1.847 18261 10951 1 15 . 1 1 95 95 SER HA H 95 4.394 4.394 4.250 0.144 18261 10952 1 15 . 1 1 95 95 SER C C 95 177.828 177.828 176.589 1.239 18261 10953 1 15 . 1 1 95 95 SER CA C 95 61.990 61.990 62.015 -0.025 18261 10954 1 15 . 1 1 95 95 SER CB C 95 62.580 62.580 62.950 -0.370 18261 10955 1 15 . 1 1 95 95 SER H H 95 8.118 8.118 7.694 0.424 18261 10956 1 15 . 1 1 96 96 SER N N 96 121.520 121.520 118.638 2.882 18261 10957 1 15 . 1 1 96 96 SER HA H 96 4.457 4.457 4.261 0.196 18261 10958 1 15 . 1 1 96 96 SER CA C 96 62.695 62.695 62.246 0.449 18261 10959 1 15 . 1 1 96 96 SER CB C 96 62.796 62.796 63.086 -0.290 18261 10960 1 15 . 1 1 96 96 SER H H 96 8.603 8.603 7.665 0.938 18261 10961 1 15 . 1 1 97 97 ILE N N 97 122.420 122.420 122.717 -0.297 18261 10962 1 15 . 1 1 97 97 ILE HA H 97 3.792 3.792 3.658 0.134 18261 10963 1 15 . 1 1 97 97 ILE C C 97 177.693 177.693 177.882 -0.189 18261 10964 1 15 . 1 1 97 97 ILE CA C 97 66.722 66.722 65.883 0.839 18261 10965 1 15 . 1 1 97 97 ILE CB C 97 38.645 38.645 37.856 0.789 18261 10966 1 15 . 1 1 97 97 ILE H H 97 8.516 8.516 8.137 0.379 18261 10967 1 15 . 1 1 98 98 ALA N N 98 122.031 122.031 121.765 0.266 18261 10968 1 15 . 1 1 98 98 ALA HA H 98 4.063 4.063 4.204 -0.141 18261 10969 1 15 . 1 1 98 98 ALA C C 98 180.740 180.740 179.880 0.860 18261 10970 1 15 . 1 1 98 98 ALA CA C 98 56.158 56.158 55.179 0.979 18261 10971 1 15 . 1 1 98 98 ALA CB C 98 18.347 18.347 18.241 0.106 18261 10972 1 15 . 1 1 98 98 ALA H H 98 8.437 8.437 7.957 0.480 18261 10973 1 15 . 1 1 99 99 SER N N 99 115.676 115.676 114.492 1.184 18261 10974 1 15 . 1 1 99 99 SER HA H 99 4.369 4.369 4.307 0.062 18261 10975 1 15 . 1 1 99 99 SER C C 99 177.168 177.168 176.593 0.575 18261 10976 1 15 . 1 1 99 99 SER CA C 99 61.959 61.959 60.919 1.040 18261 10977 1 15 . 1 1 99 99 SER CB C 99 63.160 63.160 62.737 0.423 18261 10978 1 15 . 1 1 99 99 SER H H 99 8.611 8.611 7.757 0.854 18261 10979 1 15 . 1 1 100 100 ALA N N 100 124.275 124.275 124.260 0.015 18261 10980 1 15 . 1 1 100 100 ALA HA H 100 4.243 4.243 3.968 0.275 18261 10981 1 15 . 1 1 100 100 ALA C C 100 181.851 181.851 179.579 2.272 18261 10982 1 15 . 1 1 100 100 ALA CA C 100 55.321 55.321 54.821 0.500 18261 10983 1 15 . 1 1 100 100 ALA CB C 100 18.479 18.479 17.996 0.483 18261 10984 1 15 . 1 1 100 100 ALA H H 100 8.973 8.973 8.011 0.962 18261 10985 1 15 . 1 1 101 101 MET N N 101 118.986 118.986 118.784 0.202 18261 10986 1 15 . 1 1 101 101 MET HA H 101 4.063 4.063 4.078 -0.015 18261 10987 1 15 . 1 1 101 101 MET C C 101 177.483 177.483 178.437 -0.954 18261 10988 1 15 . 1 1 101 101 MET CA C 101 60.999 60.999 59.979 1.020 18261 10989 1 15 . 1 1 101 101 MET CB C 101 34.583 34.583 32.983 1.600 18261 10990 1 15 . 1 1 101 101 MET H H 101 9.072 9.072 8.625 0.447 18261 10991 1 15 . 1 1 102 102 SER N N 102 116.650 116.650 115.475 1.175 18261 10992 1 15 . 1 1 102 102 SER HA H 102 4.370 4.370 4.378 -0.008 18261 10993 1 15 . 1 1 102 102 SER C C 102 176.357 176.357 176.761 -0.404 18261 10994 1 15 . 1 1 102 102 SER CA C 102 63.278 63.278 62.315 0.963 18261 10995 1 15 . 1 1 102 102 SER CB C 102 62.523 62.523 63.255 -0.733 18261 10996 1 15 . 1 1 102 102 SER H H 102 8.673 8.673 8.458 0.215 18261 10997 1 15 . 1 1 103 103 ASN N N 103 118.060 118.060 120.043 -1.983 18261 10998 1 15 . 1 1 103 103 ASN HA H 103 4.477 4.477 4.497 -0.020 18261 10999 1 15 . 1 1 103 103 ASN C C 103 176.603 176.603 177.292 -0.689 18261 11000 1 15 . 1 1 103 103 ASN CA C 103 56.564 56.564 56.074 0.490 18261 11001 1 15 . 1 1 103 103 ASN CB C 103 38.362 38.362 38.511 -0.149 18261 11002 1 15 . 1 1 103 103 ASN H H 103 8.098 8.098 8.263 -0.165 18261 11003 1 15 . 1 1 104 104 ALA N N 104 122.235 122.235 122.429 -0.194 18261 11004 1 15 . 1 1 104 104 ALA HA H 104 4.255 4.255 3.935 0.320 18261 11005 1 15 . 1 1 104 104 ALA C C 104 181.701 181.701 179.729 1.972 18261 11006 1 15 . 1 1 104 104 ALA CA C 104 54.815 54.815 54.761 0.054 18261 11007 1 15 . 1 1 104 104 ALA CB C 104 18.177 18.177 17.965 0.212 18261 11008 1 15 . 1 1 104 104 ALA H H 104 7.919 7.919 7.729 0.190 18261 11009 1 15 . 1 1 105 105 PHE N N 105 119.159 119.159 119.007 0.152 18261 11010 1 15 . 1 1 105 105 PHE HA H 105 4.401 4.401 4.550 -0.149 18261 11011 1 15 . 1 1 105 105 PHE C C 105 179.224 179.224 178.375 0.849 18261 11012 1 15 . 1 1 105 105 PHE CA C 105 63.744 63.744 61.039 2.704 18261 11013 1 15 . 1 1 105 105 PHE CB C 105 39.417 39.417 38.614 0.803 18261 11014 1 15 . 1 1 105 105 PHE H H 105 8.615 8.615 8.387 0.228 18261 11015 1 15 . 1 1 106 106 LEU N N 106 121.765 121.765 118.718 3.047 18261 11016 1 15 . 1 1 106 106 LEU HA H 106 3.741 3.741 4.107 -0.366 18261 11017 1 15 . 1 1 106 106 LEU C C 106 179.074 179.074 178.506 0.568 18261 11018 1 15 . 1 1 106 106 LEU CA C 106 59.086 59.086 58.042 1.044 18261 11019 1 15 . 1 1 106 106 LEU CB C 106 41.265 41.265 41.566 -0.301 18261 11020 1 15 . 1 1 106 106 LEU H H 106 8.259 8.259 8.263 -0.004 18261 11021 1 15 . 1 1 107 107 GLN N N 107 114.755 114.755 117.649 -2.894 18261 11022 1 15 . 1 1 107 107 GLN HA H 107 4.189 4.189 4.327 -0.138 18261 11023 1 15 . 1 1 107 107 GLN C C 107 176.822 176.822 177.872 -1.050 18261 11024 1 15 . 1 1 107 107 GLN CA C 107 57.461 57.461 57.720 -0.259 18261 11025 1 15 . 1 1 107 107 GLN CB C 107 29.393 29.393 28.794 0.598 18261 11026 1 15 . 1 1 107 107 GLN H H 107 8.176 8.176 7.775 0.401 18261 11027 1 15 . 1 1 108 108 THR N N 108 108.074 108.074 112.680 -4.606 18261 11028 1 15 . 1 1 108 108 THR HA H 108 4.517 4.517 4.360 0.157 18261 11029 1 15 . 1 1 108 108 THR C C 108 175.952 175.952 176.124 -0.172 18261 11030 1 15 . 1 1 108 108 THR CA C 108 62.526 62.526 64.633 -2.107 18261 11031 1 15 . 1 1 108 108 THR CB C 108 70.320 70.320 69.249 1.071 18261 11032 1 15 . 1 1 108 108 THR H H 108 7.740 7.740 7.978 -0.238 18261 11033 1 15 . 1 1 109 109 THR N N 109 113.029 113.029 112.459 0.570 18261 11034 1 15 . 1 1 109 109 THR HA H 109 4.620 4.620 4.621 -0.001 18261 11035 1 15 . 1 1 109 109 THR C C 109 176.162 176.162 175.996 0.166 18261 11036 1 15 . 1 1 109 109 THR CA C 109 62.255 62.255 61.369 0.886 18261 11037 1 15 . 1 1 109 109 THR CB C 109 70.768 70.768 70.965 -0.197 18261 11038 1 15 . 1 1 109 109 THR H H 109 8.869 8.869 8.101 0.768 18261 11039 1 15 . 1 1 110 110 GLY N N 110 109.433 109.433 110.253 -0.820 18261 11040 1 15 . 1 1 110 110 GLY C C 110 172.889 172.889 174.296 -1.407 18261 11041 1 15 . 1 1 110 110 GLY CA C 110 45.555 45.555 45.115 0.440 18261 11042 1 15 . 1 1 110 110 GLY H H 110 8.298 8.298 8.113 0.185 18261 11043 1 15 . 1 1 111 111 VAL N N 111 119.167 119.167 120.251 -1.084 18261 11044 1 15 . 1 1 111 111 VAL HA H 111 4.266 4.266 4.299 -0.033 18261 11045 1 15 . 1 1 111 111 VAL C C 111 174.421 174.421 175.240 -0.819 18261 11046 1 15 . 1 1 111 111 VAL CA C 111 60.783 60.783 60.229 0.554 18261 11047 1 15 . 1 1 111 111 VAL CB C 111 35.394 35.394 34.624 0.770 18261 11048 1 15 . 1 1 111 111 VAL H H 111 7.786 7.786 7.766 0.020 18261 11049 1 15 . 1 1 112 112 VAL N N 112 124.920 124.920 124.047 0.873 18261 11050 1 15 . 1 1 112 112 VAL HA H 112 3.251 3.251 4.057 -0.806 18261 11051 1 15 . 1 1 112 112 VAL C C 112 174.646 174.646 175.031 -0.385 18261 11052 1 15 . 1 1 112 112 VAL CA C 112 64.409 64.409 61.789 2.620 18261 11053 1 15 . 1 1 112 112 VAL CB C 112 32.626 32.626 31.978 0.648 18261 11054 1 15 . 1 1 112 112 VAL H H 112 8.721 8.721 8.297 0.424 18261 11055 1 15 . 1 1 113 113 ASN HA H 113 4.505 4.505 4.460 0.045 18261 11056 1 15 . 1 1 113 113 ASN CA C 113 50.080 50.080 52.138 -2.058 18261 11057 1 15 . 1 1 113 113 ASN CB C 113 36.910 36.910 37.738 -0.828 18261 11058 1 15 . 1 1 114 114 GLN N N 114 123.939 123.939 128.016 -4.077 18261 11059 1 15 . 1 1 114 114 GLN HA H 114 3.944 3.944 4.366 -0.422 18261 11060 1 15 . 1 1 114 114 GLN C C 114 174.811 174.811 174.998 -0.187 18261 11061 1 15 . 1 1 114 114 GLN CA C 114 59.348 59.348 59.478 -0.130 18261 11062 1 15 . 1 1 114 114 GLN CB C 114 26.505 26.505 26.965 -0.460 18261 11063 1 15 . 1 1 114 114 GLN H H 114 8.368 8.368 8.179 0.189 18261 11064 1 15 . 1 1 115 115 PRO HA H 115 4.243 4.243 4.105 0.138 18261 11065 1 15 . 1 1 115 115 PRO CA C 115 66.602 66.602 65.965 0.637 18261 11066 1 15 . 1 1 115 115 PRO CB C 115 31.215 31.215 31.135 0.080 18261 11067 1 15 . 1 1 116 116 PHE N N 116 117.612 117.612 113.025 4.587 18261 11068 1 15 . 1 1 116 116 PHE HA H 116 4.209 4.209 4.677 -0.468 18261 11069 1 15 . 1 1 116 116 PHE C C 116 176.597 176.597 178.102 -1.505 18261 11070 1 15 . 1 1 116 116 PHE CA C 116 61.261 61.261 60.865 0.396 18261 11071 1 15 . 1 1 116 116 PHE CB C 116 39.506 39.506 38.675 0.832 18261 11072 1 15 . 1 1 116 116 PHE H H 116 7.249 7.249 8.067 -0.818 18261 11073 1 15 . 1 1 117 117 ILE N N 117 119.233 119.233 121.438 -2.205 18261 11074 1 15 . 1 1 117 117 ILE HA H 117 3.537 3.537 3.874 -0.337 18261 11075 1 15 . 1 1 117 117 ILE C C 117 178.789 178.789 177.917 0.872 18261 11076 1 15 . 1 1 117 117 ILE CA C 117 65.677 65.677 65.111 0.566 18261 11077 1 15 . 1 1 117 117 ILE CB C 117 38.125 38.125 37.593 0.532 18261 11078 1 15 . 1 1 117 117 ILE H H 117 7.652 7.652 8.094 -0.442 18261 11079 1 15 . 1 1 118 118 ASN N N 118 119.875 119.875 118.561 1.314 18261 11080 1 15 . 1 1 118 118 ASN HA H 118 4.304 4.304 4.647 -0.343 18261 11081 1 15 . 1 1 118 118 ASN C C 118 177.033 177.033 178.006 -0.973 18261 11082 1 15 . 1 1 118 118 ASN CA C 118 55.716 55.716 55.706 0.010 18261 11083 1 15 . 1 1 118 118 ASN CB C 118 37.423 37.423 37.973 -0.550 18261 11084 1 15 . 1 1 118 118 ASN H H 118 8.975 8.975 7.892 1.083 18261 11085 1 15 . 1 1 119 119 GLU N N 119 121.029 121.029 121.435 -0.406 18261 11086 1 15 . 1 1 119 119 GLU HA H 119 4.026 4.026 4.134 -0.108 18261 11087 1 15 . 1 1 119 119 GLU C C 119 178.564 178.564 179.013 -0.449 18261 11088 1 15 . 1 1 119 119 GLU CA C 119 59.426 59.426 59.292 0.134 18261 11089 1 15 . 1 1 119 119 GLU CB C 119 29.646 29.646 29.882 -0.236 18261 11090 1 15 . 1 1 119 119 GLU H H 119 8.120 8.120 7.505 0.615 18261 11091 1 15 . 1 1 120 120 ILE N N 120 117.654 117.654 119.842 -2.188 18261 11092 1 15 . 1 1 120 120 ILE HA H 120 3.734 3.734 3.954 -0.220 18261 11093 1 15 . 1 1 120 120 ILE C C 120 178.279 178.279 178.061 0.218 18261 11094 1 15 . 1 1 120 120 ILE CA C 120 62.756 62.756 65.060 -2.304 18261 11095 1 15 . 1 1 120 120 ILE CB C 120 35.645 35.645 38.025 -2.380 18261 11096 1 15 . 1 1 120 120 ILE H H 120 8.077 8.077 8.616 -0.539 18261 11097 1 15 . 1 1 121 121 THR N N 121 112.585 112.585 115.046 -2.461 18261 11098 1 15 . 1 1 121 121 THR HA H 121 3.753 3.753 4.011 -0.258 18261 11099 1 15 . 1 1 121 121 THR C C 121 177.258 177.258 176.867 0.391 18261 11100 1 15 . 1 1 121 121 THR CA C 121 67.090 67.090 66.114 0.976 18261 11101 1 15 . 1 1 121 121 THR CB C 121 68.254 68.254 68.297 -0.043 18261 11102 1 15 . 1 1 121 121 THR H H 121 8.640 8.640 8.115 0.525 18261 11103 1 15 . 1 1 122 122 GLN N N 122 123.063 123.063 120.289 2.774 18261 11104 1 15 . 1 1 122 122 GLN HA H 122 4.091 4.091 4.098 -0.007 18261 11105 1 15 . 1 1 122 122 GLN C C 122 179.014 179.014 178.665 0.349 18261 11106 1 15 . 1 1 122 122 GLN CA C 122 59.192 59.192 58.662 0.530 18261 11107 1 15 . 1 1 122 122 GLN CB C 122 28.020 28.020 28.116 -0.096 18261 11108 1 15 . 1 1 122 122 GLN H H 122 8.111 8.111 7.898 0.213 18261 11109 1 15 . 1 1 123 123 LEU N N 123 120.494 120.494 120.195 0.299 18261 11110 1 15 . 1 1 123 123 LEU HA H 123 3.841 3.841 3.907 -0.066 18261 11111 1 15 . 1 1 123 123 LEU C C 123 178.354 178.354 179.073 -0.719 18261 11112 1 15 . 1 1 123 123 LEU CA C 123 58.005 58.005 57.784 0.221 18261 11113 1 15 . 1 1 123 123 LEU CB C 123 42.580 42.580 41.651 0.929 18261 11114 1 15 . 1 1 123 123 LEU H H 123 8.131 8.131 7.397 0.734 18261 11115 1 15 . 1 1 124 124 VAL N N 124 118.543 118.543 120.808 -2.265 18261 11116 1 15 . 1 1 124 124 VAL HA H 124 3.560 3.560 3.745 -0.185 18261 11117 1 15 . 1 1 124 124 VAL C C 124 177.453 177.453 178.833 -1.380 18261 11118 1 15 . 1 1 124 124 VAL CA C 124 67.297 67.297 66.336 0.961 18261 11119 1 15 . 1 1 124 124 VAL CB C 124 31.526 31.526 30.631 0.895 18261 11120 1 15 . 1 1 124 124 VAL H H 124 8.732 8.732 8.752 -0.020 18261 11121 1 15 . 1 1 125 125 SER N N 125 112.449 112.449 115.045 -2.596 18261 11122 1 15 . 1 1 125 125 SER HA H 125 4.044 4.044 4.146 -0.102 18261 11123 1 15 . 1 1 125 125 SER C C 125 175.937 175.937 176.988 -1.051 18261 11124 1 15 . 1 1 125 125 SER CA C 125 62.356 62.356 62.087 0.269 18261 11125 1 15 . 1 1 125 125 SER CB C 125 62.890 62.890 62.991 -0.101 18261 11126 1 15 . 1 1 125 125 SER H H 125 7.863 7.863 7.977 -0.114 18261 11127 1 15 . 1 1 126 126 MET N N 126 120.797 120.797 121.502 -0.705 18261 11128 1 15 . 1 1 126 126 MET HA H 126 4.051 4.051 4.073 -0.022 18261 11129 1 15 . 1 1 126 126 MET C C 126 179.254 179.254 178.344 0.910 18261 11130 1 15 . 1 1 126 126 MET CA C 126 58.939 58.939 59.197 -0.258 18261 11131 1 15 . 1 1 126 126 MET CB C 126 32.625 32.625 32.472 0.153 18261 11132 1 15 . 1 1 126 126 MET H H 126 8.033 8.033 7.614 0.419 18261 11133 1 15 . 1 1 127 127 PHE N N 127 118.244 118.244 117.730 0.514 18261 11134 1 15 . 1 1 127 127 PHE HA H 127 4.398 4.398 4.199 0.199 18261 11135 1 15 . 1 1 127 127 PHE C C 127 178.128 178.128 177.176 0.952 18261 11136 1 15 . 1 1 127 127 PHE CA C 127 59.991 59.991 60.613 -0.622 18261 11137 1 15 . 1 1 127 127 PHE CB C 127 38.584 38.584 38.135 0.450 18261 11138 1 15 . 1 1 127 127 PHE H H 127 8.753 8.753 8.417 0.336 18261 11139 1 15 . 1 1 128 128 ALA N N 128 120.518 120.518 120.857 -0.339 18261 11140 1 15 . 1 1 128 128 ALA HA H 128 4.152 4.152 4.233 -0.081 18261 11141 1 15 . 1 1 128 128 ALA C C 128 178.789 178.789 180.501 -1.712 18261 11142 1 15 . 1 1 128 128 ALA CA C 128 54.570 54.570 54.400 0.170 18261 11143 1 15 . 1 1 128 128 ALA CB C 128 19.373 19.373 18.701 0.672 18261 11144 1 15 . 1 1 128 128 ALA H H 128 8.681 8.681 8.253 0.428 18261 11145 1 15 . 1 1 129 129 GLN N N 129 115.315 115.315 119.186 -3.871 18261 11146 1 15 . 1 1 129 129 GLN HA H 129 4.197 4.197 4.037 0.160 18261 11147 1 15 . 1 1 129 129 GLN C C 129 177.258 177.258 177.944 -0.686 18261 11148 1 15 . 1 1 129 129 GLN CA C 129 57.519 57.519 58.630 -1.111 18261 11149 1 15 . 1 1 129 129 GLN CB C 129 29.271 29.271 28.916 0.355 18261 11150 1 15 . 1 1 129 129 GLN H H 129 7.835 7.835 8.027 -0.192 18261 11151 1 15 . 1 1 130 130 ALA N N 130 121.556 121.556 118.906 2.650 18261 11152 1 15 . 1 1 130 130 ALA HA H 130 4.285 4.285 4.590 -0.305 18261 11153 1 15 . 1 1 130 130 ALA C C 130 178.564 178.564 178.302 0.262 18261 11154 1 15 . 1 1 130 130 ALA CA C 130 53.823 53.823 53.162 0.661 18261 11155 1 15 . 1 1 130 130 ALA CB C 130 19.058 19.058 18.857 0.201 18261 11156 1 15 . 1 1 130 130 ALA H H 130 7.758 7.758 7.879 -0.121 18261 11157 1 15 . 1 1 131 131 GLY N N 131 105.780 105.780 104.683 1.097 18261 11158 1 15 . 1 1 131 131 GLY C C 131 173.970 173.970 174.536 -0.566 18261 11159 1 15 . 1 1 131 131 GLY CA C 131 45.702 45.702 45.327 0.375 18261 11160 1 15 . 1 1 131 131 GLY H H 131 8.222 8.222 7.920 0.302 18261 11161 1 15 . 1 1 132 132 MET N N 132 118.358 118.358 120.438 -2.080 18261 11162 1 15 . 1 1 132 132 MET HA H 132 4.540 4.540 4.356 0.184 18261 11163 1 15 . 1 1 132 132 MET C C 132 175.952 175.952 177.734 -1.782 18261 11164 1 15 . 1 1 132 132 MET CA C 132 55.611 55.611 58.027 -2.416 18261 11165 1 15 . 1 1 132 132 MET CB C 132 33.473 33.473 33.233 0.240 18261 11166 1 15 . 1 1 132 132 MET H H 132 7.763 7.763 7.500 0.263 18261 11167 1 15 . 1 1 133 133 ASN N N 133 119.002 119.002 117.170 1.832 18261 11168 1 15 . 1 1 133 133 ASN HA H 133 4.725 4.725 4.717 0.008 18261 11169 1 15 . 1 1 133 133 ASN C C 133 174.646 174.646 175.183 -0.537 18261 11170 1 15 . 1 1 133 133 ASN CA C 133 53.512 53.512 54.457 -0.945 18261 11171 1 15 . 1 1 133 133 ASN CB C 133 39.301 39.301 40.213 -0.912 18261 11172 1 15 . 1 1 133 133 ASN H H 133 8.289 8.289 8.004 0.285 18261 11173 1 15 . 1 1 134 134 ASP N N 134 120.907 120.907 115.670 5.237 18261 11174 1 15 . 1 1 134 134 ASP HA H 134 4.659 4.659 4.716 -0.057 18261 11175 1 15 . 1 1 134 134 ASP C C 134 176.162 176.162 174.753 1.409 18261 11176 1 15 . 1 1 134 134 ASP CA C 134 54.379 54.379 53.955 0.424 18261 11177 1 15 . 1 1 134 134 ASP CB C 134 41.291 41.291 43.255 -1.964 18261 11178 1 15 . 1 1 134 134 ASP H H 134 8.364 8.364 7.982 0.382 18261 11179 1 15 . 1 1 135 135 VAL N N 135 119.971 119.971 120.459 -0.488 18261 11180 1 15 . 1 1 135 135 VAL HA H 135 4.214 4.214 4.245 -0.031 18261 11181 1 15 . 1 1 135 135 VAL C C 135 176.162 176.162 175.990 0.172 18261 11182 1 15 . 1 1 135 135 VAL CA C 135 62.157 62.157 62.595 -0.438 18261 11183 1 15 . 1 1 135 135 VAL CB C 135 32.644 32.644 32.078 0.566 18261 11184 1 15 . 1 1 135 135 VAL H H 135 8.118 8.118 8.521 -0.403 18261 11185 1 15 . 1 1 136 136 SER N N 136 119.918 119.918 120.087 -0.169 18261 11186 1 15 . 1 1 136 136 SER HA H 136 4.462 4.462 4.438 0.024 18261 11187 1 15 . 1 1 136 136 SER C C 136 173.325 173.325 173.387 -0.062 18261 11188 1 15 . 1 1 136 136 SER CA C 136 58.342 58.342 58.302 0.040 18261 11189 1 15 . 1 1 136 136 SER CB C 136 64.041 64.041 61.574 2.467 18261 11190 1 15 . 1 1 136 136 SER H H 136 8.410 8.410 7.997 0.413 18261 11191 1 16 . 1 1 3 3 GLY CA C 3 45.200 45.200 45.133 0.067 18261 11192 1 16 . 1 1 4 4 ASN N N 4 124.083 124.083 117.595 6.488 18261 11193 1 16 . 1 1 4 4 ASN HA H 4 4.530 4.530 4.676 -0.146 18261 11194 1 16 . 1 1 4 4 ASN C C 4 179.449 179.449 175.609 3.840 18261 11195 1 16 . 1 1 4 4 ASN CA C 4 54.803 54.803 54.169 0.635 18261 11196 1 16 . 1 1 4 4 ASN CB C 4 41.106 41.106 39.126 1.980 18261 11197 1 16 . 1 1 4 4 ASN H H 4 7.981 7.981 8.621 -0.640 18261 11198 1 16 . 1 1 6 6 HIS HA H 6 4.693 4.693 4.831 -0.138 18261 11199 1 16 . 1 1 6 6 HIS CA C 6 56.115 56.115 55.245 0.870 18261 11200 1 16 . 1 1 6 6 HIS CB C 6 31.011 31.011 31.103 -0.092 18261 11201 1 16 . 1 1 7 7 THR N N 7 115.238 115.238 118.186 -2.948 18261 11202 1 16 . 1 1 7 7 THR HA H 7 4.318 4.318 4.269 0.049 18261 11203 1 16 . 1 1 7 7 THR C C 7 173.970 173.970 173.742 0.228 18261 11204 1 16 . 1 1 7 7 THR CA C 7 62.099 62.099 63.222 -1.123 18261 11205 1 16 . 1 1 7 7 THR CB C 7 69.779 69.779 68.394 1.385 18261 11206 1 16 . 1 1 7 7 THR H H 7 8.120 8.120 8.706 -0.586 18261 11207 1 16 . 1 1 8 8 THR N N 8 115.713 115.713 122.786 -7.073 18261 11208 1 16 . 1 1 8 8 THR HA H 8 4.146 4.146 4.629 -0.483 18261 11209 1 16 . 1 1 8 8 THR C C 8 172.664 172.664 173.166 -0.502 18261 11210 1 16 . 1 1 8 8 THR CA C 8 58.349 58.349 59.295 -0.946 18261 11211 1 16 . 1 1 8 8 THR CB C 8 69.219 69.219 70.700 -1.481 18261 11212 1 16 . 1 1 8 8 THR H H 8 7.977 7.977 7.822 0.155 18261 11213 1 16 . 1 1 9 9 PRO HA H 9 3.939 3.939 3.894 0.045 18261 11214 1 16 . 1 1 9 9 PRO CA C 9 62.965 62.965 64.253 -1.288 18261 11215 1 16 . 1 1 9 9 PRO CB C 9 30.610 30.610 30.698 -0.088 18261 11216 1 16 . 1 1 10 10 TRP N N 10 111.487 111.487 112.464 -0.977 18261 11217 1 16 . 1 1 10 10 TRP HA H 10 4.899 4.899 4.635 0.264 18261 11218 1 16 . 1 1 10 10 TRP C C 10 175.817 175.817 176.445 -0.628 18261 11219 1 16 . 1 1 10 10 TRP CA C 10 54.292 54.292 55.217 -0.925 18261 11220 1 16 . 1 1 10 10 TRP CB C 10 31.219 31.219 28.720 2.499 18261 11221 1 16 . 1 1 10 10 TRP H H 10 6.681 6.681 7.146 -0.465 18261 11222 1 16 . 1 1 11 11 THR N N 11 106.120 106.120 114.708 -8.588 18261 11223 1 16 . 1 1 11 11 THR HA H 11 3.905 3.905 4.208 -0.303 18261 11224 1 16 . 1 1 11 11 THR C C 11 173.970 173.970 173.981 -0.011 18261 11225 1 16 . 1 1 11 11 THR CA C 11 63.937 63.937 64.648 -0.711 18261 11226 1 16 . 1 1 11 11 THR CB C 11 69.242 69.242 69.575 -0.333 18261 11227 1 16 . 1 1 11 11 THR H H 11 7.189 7.189 7.699 -0.510 18261 11228 1 16 . 1 1 12 12 ASN N N 12 116.403 116.403 116.939 -0.536 18261 11229 1 16 . 1 1 12 12 ASN HA H 12 5.115 5.115 5.203 -0.088 18261 11230 1 16 . 1 1 12 12 ASN C C 12 172.889 172.889 173.498 -0.609 18261 11231 1 16 . 1 1 12 12 ASN CA C 12 51.276 51.276 50.543 0.733 18261 11232 1 16 . 1 1 12 12 ASN CB C 12 40.474 40.474 40.551 -0.077 18261 11233 1 16 . 1 1 12 12 ASN H H 12 7.282 7.282 7.876 -0.594 18261 11234 1 16 . 1 1 13 13 PRO HA H 13 4.210 4.210 4.440 -0.230 18261 11235 1 16 . 1 1 13 13 PRO CA C 13 65.516 65.516 66.176 -0.660 18261 11236 1 16 . 1 1 13 13 PRO CB C 13 32.418 32.418 32.192 0.226 18261 11237 1 16 . 1 1 14 14 GLY N N 14 108.796 108.796 105.782 3.014 18261 11238 1 16 . 1 1 14 14 GLY C C 14 175.952 175.952 176.598 -0.646 18261 11239 1 16 . 1 1 14 14 GLY CA C 14 47.073 47.073 46.708 0.365 18261 11240 1 16 . 1 1 14 14 GLY H H 14 8.363 8.363 8.448 -0.085 18261 11241 1 16 . 1 1 15 15 LEU N N 15 124.473 124.473 123.291 1.182 18261 11242 1 16 . 1 1 15 15 LEU HA H 15 4.335 4.335 4.248 0.087 18261 11243 1 16 . 1 1 15 15 LEU C C 15 178.564 178.564 178.578 -0.014 18261 11244 1 16 . 1 1 15 15 LEU CA C 15 57.402 57.402 56.868 0.534 18261 11245 1 16 . 1 1 15 15 LEU CB C 15 41.600 41.600 41.595 0.005 18261 11246 1 16 . 1 1 15 15 LEU H H 15 7.890 7.890 7.689 0.201 18261 11247 1 16 . 1 1 16 16 ALA N N 16 121.371 121.371 122.272 -0.901 18261 11248 1 16 . 1 1 16 16 ALA HA H 16 4.000 4.000 4.107 -0.107 18261 11249 1 16 . 1 1 16 16 ALA C C 16 179.104 179.104 179.619 -0.515 18261 11250 1 16 . 1 1 16 16 ALA CA C 16 56.360 56.360 55.205 1.155 18261 11251 1 16 . 1 1 16 16 ALA CB C 16 19.351 19.351 18.332 1.018 18261 11252 1 16 . 1 1 16 16 ALA H H 16 8.429 8.429 8.349 0.080 18261 11253 1 16 . 1 1 17 17 GLU N N 17 117.199 117.199 119.153 -1.954 18261 11254 1 16 . 1 1 17 17 GLU HA H 17 3.964 3.964 3.960 0.004 18261 11255 1 16 . 1 1 17 17 GLU C C 17 177.993 177.993 179.083 -1.090 18261 11256 1 16 . 1 1 17 17 GLU CA C 17 59.543 59.543 59.984 -0.441 18261 11257 1 16 . 1 1 17 17 GLU CB C 17 29.932 29.932 29.584 0.348 18261 11258 1 16 . 1 1 17 17 GLU H H 17 8.030 8.030 8.541 -0.511 18261 11259 1 16 . 1 1 18 18 ASN N N 18 118.433 118.433 117.812 0.621 18261 11260 1 16 . 1 1 18 18 ASN HA H 18 4.546 4.546 4.549 -0.003 18261 11261 1 16 . 1 1 18 18 ASN C C 18 178.347 178.347 177.557 0.790 18261 11262 1 16 . 1 1 18 18 ASN CA C 18 56.226 56.226 56.535 -0.309 18261 11263 1 16 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.811 -0.687 18261 11264 1 16 . 1 1 18 18 ASN H H 18 8.075 8.075 8.129 -0.054 18261 11265 1 16 . 1 1 19 19 PHE N N 19 122.078 122.078 123.643 -1.565 18261 11266 1 16 . 1 1 19 19 PHE HA H 19 3.881 3.881 4.107 -0.226 18261 11267 1 16 . 1 1 19 19 PHE C C 19 176.837 176.837 177.301 -0.464 18261 11268 1 16 . 1 1 19 19 PHE CA C 19 62.230 62.230 61.956 0.274 18261 11269 1 16 . 1 1 19 19 PHE CB C 19 39.450 39.450 39.164 0.286 18261 11270 1 16 . 1 1 19 19 PHE H H 19 9.623 9.623 8.813 0.810 18261 11271 1 16 . 1 1 20 20 MET N N 20 118.264 118.264 116.656 1.608 18261 11272 1 16 . 1 1 20 20 MET HA H 20 4.424 4.424 4.072 0.352 18261 11273 1 16 . 1 1 20 20 MET C C 20 178.924 178.924 178.445 0.479 18261 11274 1 16 . 1 1 20 20 MET CA C 20 57.480 57.480 56.989 0.491 18261 11275 1 16 . 1 1 20 20 MET CB C 20 31.929 31.929 30.936 0.993 18261 11276 1 16 . 1 1 20 20 MET H H 20 8.865 8.865 8.586 0.279 18261 11277 1 16 . 1 1 21 21 ASN N N 21 118.455 118.455 119.677 -1.222 18261 11278 1 16 . 1 1 21 21 ASN HA H 21 4.542 4.542 4.418 0.124 18261 11279 1 16 . 1 1 21 21 ASN C C 21 178.249 178.249 178.047 0.202 18261 11280 1 16 . 1 1 21 21 ASN CA C 21 56.305 56.305 56.683 -0.378 18261 11281 1 16 . 1 1 21 21 ASN CB C 21 37.916 37.916 38.299 -0.383 18261 11282 1 16 . 1 1 21 21 ASN H H 21 8.453 8.453 8.031 0.422 18261 11283 1 16 . 1 1 22 22 SER N N 22 116.036 116.036 115.701 0.335 18261 11284 1 16 . 1 1 22 22 SER HA H 22 4.196 4.196 4.374 -0.178 18261 11285 1 16 . 1 1 22 22 SER C C 22 178.143 178.143 176.833 1.310 18261 11286 1 16 . 1 1 22 22 SER CA C 22 62.256 62.256 61.617 0.639 18261 11287 1 16 . 1 1 22 22 SER CB C 22 62.870 62.870 62.989 -0.119 18261 11288 1 16 . 1 1 22 22 SER H H 22 7.959 7.959 7.994 -0.035 18261 11289 1 16 . 1 1 23 23 PHE N N 23 124.987 124.987 124.928 0.059 18261 11290 1 16 . 1 1 23 23 PHE HA H 23 4.005 4.005 4.031 -0.026 18261 11291 1 16 . 1 1 23 23 PHE C C 23 175.652 175.652 177.008 -1.356 18261 11292 1 16 . 1 1 23 23 PHE CA C 23 60.525 60.525 61.388 -0.863 18261 11293 1 16 . 1 1 23 23 PHE CB C 23 38.899 38.899 38.930 -0.031 18261 11294 1 16 . 1 1 23 23 PHE H H 23 9.045 9.045 8.446 0.599 18261 11295 1 16 . 1 1 24 24 MET N N 24 117.260 117.260 117.220 0.040 18261 11296 1 16 . 1 1 24 24 MET HA H 24 4.040 4.040 3.756 0.284 18261 11297 1 16 . 1 1 24 24 MET C C 24 179.797 179.797 178.575 1.222 18261 11298 1 16 . 1 1 24 24 MET CA C 24 56.047 56.047 57.761 -1.714 18261 11299 1 16 . 1 1 24 24 MET CB C 24 30.308 30.308 31.348 -1.040 18261 11300 1 16 . 1 1 24 24 MET H H 24 8.302 8.302 8.679 -0.377 18261 11301 1 16 . 1 1 25 25 GLN N N 25 120.167 120.167 117.646 2.521 18261 11302 1 16 . 1 1 25 25 GLN HA H 25 3.985 3.985 4.093 -0.108 18261 11303 1 16 . 1 1 25 25 GLN C C 25 179.870 179.870 178.356 1.514 18261 11304 1 16 . 1 1 25 25 GLN CA C 25 59.136 59.136 58.304 0.832 18261 11305 1 16 . 1 1 25 25 GLN CB C 25 28.234 28.234 28.604 -0.370 18261 11306 1 16 . 1 1 25 25 GLN H H 25 8.038 8.038 8.020 0.018 18261 11307 1 16 . 1 1 26 26 GLY N N 26 107.636 107.636 106.533 1.103 18261 11308 1 16 . 1 1 26 26 GLY C C 26 176.387 176.387 175.907 0.480 18261 11309 1 16 . 1 1 26 26 GLY CA C 26 46.911 46.911 45.760 1.151 18261 11310 1 16 . 1 1 26 26 GLY H H 26 8.095 8.095 7.779 0.316 18261 11311 1 16 . 1 1 27 27 LEU N N 27 122.877 122.877 124.526 -1.649 18261 11312 1 16 . 1 1 27 27 LEU HA H 27 3.783 3.783 4.003 -0.220 18261 11313 1 16 . 1 1 27 27 LEU C C 27 178.564 178.564 178.912 -0.348 18261 11314 1 16 . 1 1 27 27 LEU CA C 27 57.262 57.262 57.024 0.238 18261 11315 1 16 . 1 1 27 27 LEU CB C 27 42.076 42.076 41.056 1.020 18261 11316 1 16 . 1 1 27 27 LEU H H 27 8.369 8.369 8.155 0.214 18261 11317 1 16 . 1 1 28 28 SER N N 28 109.474 109.474 113.112 -3.638 18261 11318 1 16 . 1 1 28 28 SER HA H 28 4.138 4.138 4.247 -0.109 18261 11319 1 16 . 1 1 28 28 SER C C 28 174.421 174.421 175.546 -1.125 18261 11320 1 16 . 1 1 28 28 SER CA C 28 61.153 61.153 60.465 0.688 18261 11321 1 16 . 1 1 28 28 SER CB C 28 63.320 63.320 63.131 0.189 18261 11322 1 16 . 1 1 28 28 SER H H 28 7.527 7.527 8.191 -0.664 18261 11323 1 16 . 1 1 29 29 SER N N 29 114.550 114.550 115.523 -0.973 18261 11324 1 16 . 1 1 29 29 SER HA H 29 4.734 4.734 4.577 0.157 18261 11325 1 16 . 1 1 29 29 SER C C 29 173.970 173.970 173.942 0.028 18261 11326 1 16 . 1 1 29 29 SER CA C 29 57.927 57.927 58.573 -0.646 18261 11327 1 16 . 1 1 29 29 SER CB C 29 64.500 64.500 63.813 0.687 18261 11328 1 16 . 1 1 29 29 SER H H 29 7.449 7.449 7.641 -0.192 18261 11329 1 16 . 1 1 30 30 MET N N 30 122.420 122.420 122.556 -0.136 18261 11330 1 16 . 1 1 30 30 MET HA H 30 4.952 4.952 4.875 0.077 18261 11331 1 16 . 1 1 30 30 MET C C 30 174.195 174.195 174.283 -0.088 18261 11332 1 16 . 1 1 30 30 MET CA C 30 53.638 53.638 51.506 2.132 18261 11333 1 16 . 1 1 30 30 MET CB C 30 32.305 32.305 31.985 0.320 18261 11334 1 16 . 1 1 30 30 MET H H 30 7.674 7.674 7.663 0.011 18261 11335 1 16 . 1 1 31 31 PRO HA H 31 4.669 4.669 4.511 0.158 18261 11336 1 16 . 1 1 31 31 PRO CA C 31 62.880 62.880 63.179 -0.299 18261 11337 1 16 . 1 1 31 31 PRO CB C 31 32.742 32.742 32.447 0.295 18261 11338 1 16 . 1 1 32 32 GLY N N 32 106.222 106.222 109.531 -3.309 18261 11339 1 16 . 1 1 32 32 GLY C C 32 172.454 172.454 173.427 -0.973 18261 11340 1 16 . 1 1 32 32 GLY CA C 32 45.608 45.608 44.780 0.828 18261 11341 1 16 . 1 1 32 32 GLY H H 32 8.415 8.415 8.512 -0.097 18261 11342 1 16 . 1 1 33 33 PHE N N 33 116.404 116.404 118.816 -2.412 18261 11343 1 16 . 1 1 33 33 PHE HA H 33 5.167 5.167 5.052 0.115 18261 11344 1 16 . 1 1 33 33 PHE C C 33 176.387 176.387 175.045 1.342 18261 11345 1 16 . 1 1 33 33 PHE CA C 33 56.750 56.750 56.680 0.070 18261 11346 1 16 . 1 1 33 33 PHE CB C 33 42.080 42.080 42.065 0.015 18261 11347 1 16 . 1 1 33 33 PHE H H 33 7.871 7.871 7.396 0.475 18261 11348 1 16 . 1 1 34 34 THR N N 34 113.684 113.684 112.025 1.659 18261 11349 1 16 . 1 1 34 34 THR HA H 34 4.545 4.545 4.598 -0.053 18261 11350 1 16 . 1 1 34 34 THR C C 34 175.066 175.066 174.713 0.353 18261 11351 1 16 . 1 1 34 34 THR CA C 34 60.339 60.339 59.992 0.347 18261 11352 1 16 . 1 1 34 34 THR CB C 34 70.381 70.381 70.678 -0.297 18261 11353 1 16 . 1 1 34 34 THR H H 34 8.899 8.899 8.024 0.875 18261 11354 1 16 . 1 1 35 35 ALA N N 35 122.927 122.927 124.756 -1.829 18261 11355 1 16 . 1 1 35 35 ALA HA H 35 4.092 4.092 4.207 -0.116 18261 11356 1 16 . 1 1 35 35 ALA C C 35 180.755 180.755 179.551 1.204 18261 11357 1 16 . 1 1 35 35 ALA CA C 35 55.827 55.827 55.310 0.517 18261 11358 1 16 . 1 1 35 35 ALA CB C 35 18.098 18.098 18.698 -0.600 18261 11359 1 16 . 1 1 35 35 ALA H H 35 8.864 8.864 8.670 0.194 18261 11360 1 16 . 1 1 36 36 SER N N 36 112.708 112.708 113.035 -0.327 18261 11361 1 16 . 1 1 36 36 SER HA H 36 4.276 4.276 4.155 0.121 18261 11362 1 16 . 1 1 36 36 SER C C 36 177.033 177.033 176.715 0.318 18261 11363 1 16 . 1 1 36 36 SER CA C 36 61.403 61.403 61.508 -0.105 18261 11364 1 16 . 1 1 36 36 SER CB C 36 62.371 62.371 62.834 -0.463 18261 11365 1 16 . 1 1 36 36 SER H H 36 8.389 8.389 8.312 0.077 18261 11366 1 16 . 1 1 37 37 GLN N N 37 121.595 121.595 121.069 0.526 18261 11367 1 16 . 1 1 37 37 GLN HA H 37 4.272 4.272 4.191 0.081 18261 11368 1 16 . 1 1 37 37 GLN C C 37 179.149 179.149 178.417 0.732 18261 11369 1 16 . 1 1 37 37 GLN CA C 37 58.638 58.638 58.349 0.289 18261 11370 1 16 . 1 1 37 37 GLN CB C 37 29.123 29.123 28.509 0.615 18261 11371 1 16 . 1 1 37 37 GLN H H 37 7.621 7.621 7.514 0.107 18261 11372 1 16 . 1 1 38 38 LEU N N 38 119.852 119.852 121.086 -1.234 18261 11373 1 16 . 1 1 38 38 LEU HA H 38 3.838 3.838 3.888 -0.050 18261 11374 1 16 . 1 1 38 38 LEU C C 38 179.675 179.675 178.720 0.955 18261 11375 1 16 . 1 1 38 38 LEU CA C 38 57.929 57.929 58.107 -0.178 18261 11376 1 16 . 1 1 38 38 LEU CB C 38 40.918 40.918 41.330 -0.412 18261 11377 1 16 . 1 1 38 38 LEU H H 38 8.341 8.341 8.644 -0.303 18261 11378 1 16 . 1 1 39 39 ASP N N 39 122.065 122.065 119.829 2.236 18261 11379 1 16 . 1 1 39 39 ASP HA H 39 4.439 4.439 4.267 0.172 18261 11380 1 16 . 1 1 39 39 ASP C C 39 179.224 179.224 177.916 1.308 18261 11381 1 16 . 1 1 39 39 ASP CA C 39 57.710 57.710 58.203 -0.493 18261 11382 1 16 . 1 1 39 39 ASP CB C 39 40.245 40.245 40.692 -0.447 18261 11383 1 16 . 1 1 39 39 ASP H H 39 7.955 7.955 8.103 -0.148 18261 11384 1 16 . 1 1 40 40 ASP N N 40 121.957 121.957 120.728 1.229 18261 11385 1 16 . 1 1 40 40 ASP HA H 40 4.483 4.483 4.439 0.044 18261 11386 1 16 . 1 1 40 40 ASP C C 40 179.600 179.600 178.490 1.110 18261 11387 1 16 . 1 1 40 40 ASP CA C 40 57.745 57.745 57.250 0.495 18261 11388 1 16 . 1 1 40 40 ASP CB C 40 40.190 40.190 40.995 -0.805 18261 11389 1 16 . 1 1 40 40 ASP H H 40 8.022 8.022 7.471 0.551 18261 11390 1 16 . 1 1 41 41 MET N N 41 121.160 121.160 119.104 2.056 18261 11391 1 16 . 1 1 41 41 MET HA H 41 4.204 4.204 4.044 0.160 18261 11392 1 16 . 1 1 41 41 MET C C 41 177.693 177.693 178.965 -1.272 18261 11393 1 16 . 1 1 41 41 MET CA C 41 57.634 57.634 58.626 -0.992 18261 11394 1 16 . 1 1 41 41 MET CB C 41 31.422 31.422 31.657 -0.235 18261 11395 1 16 . 1 1 41 41 MET H H 41 8.668 8.668 8.094 0.574 18261 11396 1 16 . 1 1 42 42 SER N N 42 116.421 116.421 115.308 1.113 18261 11397 1 16 . 1 1 42 42 SER HA H 42 4.304 4.304 4.276 0.028 18261 11398 1 16 . 1 1 42 42 SER C C 42 177.483 177.483 176.968 0.515 18261 11399 1 16 . 1 1 42 42 SER CA C 42 62.075 62.075 61.927 0.148 18261 11400 1 16 . 1 1 42 42 SER CB C 42 62.765 62.765 62.453 0.312 18261 11401 1 16 . 1 1 42 42 SER H H 42 8.375 8.375 8.393 -0.018 18261 11402 1 16 . 1 1 43 43 THR N N 43 118.797 118.797 119.502 -0.705 18261 11403 1 16 . 1 1 43 43 THR HA H 43 4.042 4.042 4.079 -0.037 18261 11404 1 16 . 1 1 43 43 THR C C 43 177.258 177.258 176.639 0.619 18261 11405 1 16 . 1 1 43 43 THR CA C 43 66.584 66.584 66.812 -0.228 18261 11406 1 16 . 1 1 43 43 THR CB C 43 68.490 68.490 68.658 -0.168 18261 11407 1 16 . 1 1 43 43 THR H H 43 7.928 7.928 7.590 0.338 18261 11408 1 16 . 1 1 44 44 ILE N N 44 122.960 122.960 121.274 1.686 18261 11409 1 16 . 1 1 44 44 ILE HA H 44 3.930 3.930 3.735 0.195 18261 11410 1 16 . 1 1 44 44 ILE C C 44 178.564 178.564 177.667 0.897 18261 11411 1 16 . 1 1 44 44 ILE CA C 44 64.483 64.483 62.892 1.591 18261 11412 1 16 . 1 1 44 44 ILE CB C 44 38.015 38.015 36.387 1.628 18261 11413 1 16 . 1 1 44 44 ILE H H 44 7.863 7.863 8.537 -0.674 18261 11414 1 16 . 1 1 45 45 ALA N N 45 124.792 124.792 122.867 1.925 18261 11415 1 16 . 1 1 45 45 ALA HA H 45 4.122 4.122 3.887 0.235 18261 11416 1 16 . 1 1 45 45 ALA C C 45 179.404 179.404 179.756 -0.352 18261 11417 1 16 . 1 1 45 45 ALA CA C 45 56.009 56.009 55.327 0.682 18261 11418 1 16 . 1 1 45 45 ALA CB C 45 18.908 18.908 18.336 0.572 18261 11419 1 16 . 1 1 45 45 ALA H H 45 8.853 8.853 8.617 0.235 18261 11420 1 16 . 1 1 46 46 GLN N N 46 116.307 116.307 117.497 -1.190 18261 11421 1 16 . 1 1 46 46 GLN HA H 46 4.068 4.068 3.968 0.100 18261 11422 1 16 . 1 1 46 46 GLN C C 46 179.014 179.014 178.645 0.369 18261 11423 1 16 . 1 1 46 46 GLN CA C 46 58.903 58.903 58.306 0.597 18261 11424 1 16 . 1 1 46 46 GLN CB C 46 28.250 28.250 27.860 0.390 18261 11425 1 16 . 1 1 46 46 GLN H H 46 8.238 8.238 8.015 0.223 18261 11426 1 16 . 1 1 47 47 SER N N 47 115.959 115.959 115.848 0.111 18261 11427 1 16 . 1 1 47 47 SER HA H 47 4.261 4.261 4.148 0.113 18261 11428 1 16 . 1 1 47 47 SER C C 47 177.483 177.483 176.934 0.549 18261 11429 1 16 . 1 1 47 47 SER CA C 47 61.526 61.526 61.465 0.061 18261 11430 1 16 . 1 1 47 47 SER CB C 47 62.842 62.842 62.961 -0.119 18261 11431 1 16 . 1 1 47 47 SER H H 47 8.223 8.223 7.723 0.500 18261 11432 1 16 . 1 1 48 48 MET N N 48 121.963 121.963 118.460 3.503 18261 11433 1 16 . 1 1 48 48 MET HA H 48 4.110 4.110 4.419 -0.309 18261 11434 1 16 . 1 1 48 48 MET C C 48 177.798 177.798 177.756 0.042 18261 11435 1 16 . 1 1 48 48 MET CA C 48 57.531 57.531 58.126 -0.595 18261 11436 1 16 . 1 1 48 48 MET CB C 48 31.169 31.169 32.788 -1.619 18261 11437 1 16 . 1 1 48 48 MET H H 48 8.245 8.245 7.776 0.469 18261 11438 1 16 . 1 1 49 49 VAL N N 49 119.045 119.045 121.249 -2.204 18261 11439 1 16 . 1 1 49 49 VAL HA H 49 3.300 3.300 3.591 -0.291 18261 11440 1 16 . 1 1 49 49 VAL C C 49 177.910 177.910 178.443 -0.533 18261 11441 1 16 . 1 1 49 49 VAL CA C 49 67.811 67.811 66.241 1.570 18261 11442 1 16 . 1 1 49 49 VAL CB C 49 31.370 31.370 30.736 0.634 18261 11443 1 16 . 1 1 49 49 VAL H H 49 7.809 7.809 8.681 -0.872 18261 11444 1 16 . 1 1 50 50 GLN N N 50 118.357 118.357 118.512 -0.155 18261 11445 1 16 . 1 1 50 50 GLN HA H 50 4.091 4.091 4.003 0.088 18261 11446 1 16 . 1 1 50 50 GLN C C 50 179.449 179.449 178.898 0.551 18261 11447 1 16 . 1 1 50 50 GLN CA C 50 59.056 59.056 58.701 0.355 18261 11448 1 16 . 1 1 50 50 GLN CB C 50 28.020 28.020 27.786 0.234 18261 11449 1 16 . 1 1 50 50 GLN H H 50 8.225 8.225 8.149 0.076 18261 11450 1 16 . 1 1 51 51 SER N N 51 117.253 117.253 116.338 0.915 18261 11451 1 16 . 1 1 51 51 SER HA H 51 4.235 4.235 4.149 0.086 18261 11452 1 16 . 1 1 51 51 SER C C 51 176.374 176.374 176.604 -0.230 18261 11453 1 16 . 1 1 51 51 SER CA C 51 62.752 62.752 61.561 1.191 18261 11454 1 16 . 1 1 51 51 SER CB C 51 62.963 62.963 62.815 0.148 18261 11455 1 16 . 1 1 51 51 SER H H 51 8.328 8.328 7.464 0.864 18261 11456 1 16 . 1 1 52 52 ILE N N 52 123.114 123.114 122.568 0.546 18261 11457 1 16 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.680 -0.081 18261 11458 1 16 . 1 1 52 52 ILE C C 52 178.684 178.684 177.668 1.016 18261 11459 1 16 . 1 1 52 52 ILE CA C 52 64.736 64.736 65.216 -0.480 18261 11460 1 16 . 1 1 52 52 ILE CB C 52 37.838 37.838 37.409 0.429 18261 11461 1 16 . 1 1 52 52 ILE H H 52 8.147 8.147 7.521 0.626 18261 11462 1 16 . 1 1 53 53 GLN N N 53 120.011 120.011 118.953 1.058 18261 11463 1 16 . 1 1 53 53 GLN HA H 53 3.946 3.946 3.979 -0.033 18261 11464 1 16 . 1 1 53 53 GLN C C 53 179.014 179.014 177.847 1.167 18261 11465 1 16 . 1 1 53 53 GLN CA C 53 59.501 59.501 58.560 0.941 18261 11466 1 16 . 1 1 53 53 GLN CB C 53 27.901 27.901 28.090 -0.189 18261 11467 1 16 . 1 1 53 53 GLN H H 53 8.583 8.583 8.389 0.194 18261 11468 1 16 . 1 1 54 54 SER N N 54 115.479 115.479 114.701 0.778 18261 11469 1 16 . 1 1 54 54 SER HA H 54 4.302 4.302 4.225 0.077 18261 11470 1 16 . 1 1 54 54 SER C C 54 176.822 176.822 176.546 0.276 18261 11471 1 16 . 1 1 54 54 SER CA C 54 61.492 61.492 61.246 0.246 18261 11472 1 16 . 1 1 54 54 SER CB C 54 62.880 62.880 63.408 -0.528 18261 11473 1 16 . 1 1 54 54 SER H H 54 8.271 8.271 7.553 0.718 18261 11474 1 16 . 1 1 55 55 LEU N N 55 121.519 121.519 122.649 -1.130 18261 11475 1 16 . 1 1 55 55 LEU HA H 55 4.068 4.068 3.973 0.095 18261 11476 1 16 . 1 1 55 55 LEU C C 55 179.434 179.434 178.713 0.721 18261 11477 1 16 . 1 1 55 55 LEU CA C 55 57.793 57.793 58.285 -0.492 18261 11478 1 16 . 1 1 55 55 LEU CB C 55 42.245 42.245 41.773 0.472 18261 11479 1 16 . 1 1 55 55 LEU H H 55 7.974 7.974 8.205 -0.231 18261 11480 1 16 . 1 1 56 56 ALA N N 56 121.040 121.040 117.060 3.980 18261 11481 1 16 . 1 1 56 56 ALA HA H 56 4.228 4.228 4.398 -0.170 18261 11482 1 16 . 1 1 56 56 ALA C C 56 180.530 180.530 177.370 3.160 18261 11483 1 16 . 1 1 56 56 ALA CA C 56 54.331 54.331 52.931 1.400 18261 11484 1 16 . 1 1 56 56 ALA CB C 56 18.075 18.075 18.476 -0.401 18261 11485 1 16 . 1 1 56 56 ALA H H 56 8.032 8.032 7.783 0.249 18261 11486 1 16 . 1 1 57 57 ALA N N 57 121.325 121.325 121.475 -0.150 18261 11487 1 16 . 1 1 57 57 ALA HA H 57 4.219 4.219 4.329 -0.110 18261 11488 1 16 . 1 1 57 57 ALA C C 57 179.344 179.344 179.055 0.289 18261 11489 1 16 . 1 1 57 57 ALA CA C 57 54.446 54.446 53.218 1.228 18261 11490 1 16 . 1 1 57 57 ALA CB C 57 18.470 18.470 19.985 -1.515 18261 11491 1 16 . 1 1 57 57 ALA H H 57 8.030 8.030 7.879 0.151 18261 11492 1 16 . 1 1 58 58 GLN N N 58 114.257 114.257 117.722 -3.465 18261 11493 1 16 . 1 1 58 58 GLN HA H 58 4.356 4.356 4.338 0.018 18261 11494 1 16 . 1 1 58 58 GLN C C 58 176.612 176.612 176.841 -0.229 18261 11495 1 16 . 1 1 58 58 GLN CA C 58 55.957 55.957 56.414 -0.457 18261 11496 1 16 . 1 1 58 58 GLN CB C 58 29.767 29.767 29.726 0.041 18261 11497 1 16 . 1 1 58 58 GLN H H 58 7.751 7.751 8.598 -0.847 18261 11498 1 16 . 1 1 59 59 GLY N N 59 108.304 108.304 107.620 0.684 18261 11499 1 16 . 1 1 59 59 GLY C C 59 174.856 174.856 174.279 0.577 18261 11500 1 16 . 1 1 59 59 GLY CA C 59 46.197 46.197 44.985 1.212 18261 11501 1 16 . 1 1 59 59 GLY H H 59 7.910 7.910 8.315 -0.405 18261 11502 1 16 . 1 1 60 60 ARG N N 60 118.258 118.258 118.207 0.051 18261 11503 1 16 . 1 1 60 60 ARG HA H 60 4.553 4.553 4.577 -0.024 18261 11504 1 16 . 1 1 60 60 ARG C C 60 175.847 175.847 176.175 -0.328 18261 11505 1 16 . 1 1 60 60 ARG CA C 60 55.658 55.658 54.876 0.782 18261 11506 1 16 . 1 1 60 60 ARG CB C 60 31.714 31.714 31.259 0.455 18261 11507 1 16 . 1 1 60 60 ARG H H 60 8.108 8.108 8.084 0.024 18261 11508 1 16 . 1 1 61 61 THR N N 61 115.924 115.924 118.759 -2.835 18261 11509 1 16 . 1 1 61 61 THR HA H 61 4.785 4.785 4.295 0.490 18261 11510 1 16 . 1 1 61 61 THR C C 61 173.654 173.654 173.666 -0.012 18261 11511 1 16 . 1 1 61 61 THR CA C 61 63.140 63.140 63.026 0.113 18261 11512 1 16 . 1 1 61 61 THR CB C 61 68.602 68.602 68.027 0.575 18261 11513 1 16 . 1 1 61 61 THR H H 61 7.970 7.970 8.181 -0.211 18261 11514 1 16 . 1 1 62 62 SER N N 62 119.666 119.666 120.276 -0.610 18261 11515 1 16 . 1 1 62 62 SER HA H 62 4.902 4.902 4.891 0.011 18261 11516 1 16 . 1 1 62 62 SER C C 62 173.207 173.207 174.482 -1.275 18261 11517 1 16 . 1 1 62 62 SER CA C 62 56.193 56.193 55.828 0.365 18261 11518 1 16 . 1 1 62 62 SER CB C 62 63.781 63.781 63.809 -0.029 18261 11519 1 16 . 1 1 62 62 SER H H 62 7.788 7.788 7.983 -0.195 18261 11520 1 16 . 1 1 63 63 PRO HA H 63 4.313 4.313 4.268 0.045 18261 11521 1 16 . 1 1 63 63 PRO CA C 63 65.746 65.746 65.626 0.120 18261 11522 1 16 . 1 1 63 63 PRO CB C 63 32.147 32.147 31.864 0.283 18261 11523 1 16 . 1 1 64 64 ASN HA H 64 4.550 4.550 4.466 0.084 18261 11524 1 16 . 1 1 64 64 ASN CA C 64 56.202 56.202 56.404 -0.202 18261 11525 1 16 . 1 1 64 64 ASN CB C 64 38.000 38.000 37.880 0.120 18261 11526 1 16 . 1 1 65 65 LYS N N 65 120.530 120.530 120.528 0.002 18261 11527 1 16 . 1 1 65 65 LYS HA H 65 4.197 4.197 4.110 0.087 18261 11528 1 16 . 1 1 65 65 LYS C C 65 178.999 178.999 178.691 0.308 18261 11529 1 16 . 1 1 65 65 LYS CA C 65 58.250 58.250 58.902 -0.652 18261 11530 1 16 . 1 1 65 65 LYS CB C 65 32.498 32.498 32.168 0.330 18261 11531 1 16 . 1 1 65 65 LYS H H 65 7.770 7.770 7.864 -0.094 18261 11532 1 16 . 1 1 66 66 LEU N N 66 118.804 118.804 119.573 -0.769 18261 11533 1 16 . 1 1 66 66 LEU HA H 66 4.070 4.070 4.135 -0.065 18261 11534 1 16 . 1 1 66 66 LEU C C 66 178.928 178.928 179.112 -0.184 18261 11535 1 16 . 1 1 66 66 LEU CA C 66 57.928 57.928 56.711 1.217 18261 11536 1 16 . 1 1 66 66 LEU CB C 66 41.329 41.329 40.494 0.835 18261 11537 1 16 . 1 1 66 66 LEU H H 66 7.932 7.932 7.602 0.330 18261 11538 1 16 . 1 1 67 67 GLN N N 67 119.307 119.307 119.394 -0.087 18261 11539 1 16 . 1 1 67 67 GLN HA H 67 4.224 4.224 3.954 0.270 18261 11540 1 16 . 1 1 67 67 GLN C C 67 178.789 178.789 178.080 0.709 18261 11541 1 16 . 1 1 67 67 GLN CA C 67 58.862 58.862 59.273 -0.411 18261 11542 1 16 . 1 1 67 67 GLN CB C 67 28.052 28.052 28.660 -0.608 18261 11543 1 16 . 1 1 67 67 GLN H H 67 8.160 8.160 8.285 -0.125 18261 11544 1 16 . 1 1 68 68 ALA N N 68 122.124 122.124 122.706 -0.582 18261 11545 1 16 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.125 0.065 18261 11546 1 16 . 1 1 68 68 ALA C C 68 180.320 180.320 179.397 0.923 18261 11547 1 16 . 1 1 68 68 ALA CA C 68 55.282 55.282 54.852 0.430 18261 11548 1 16 . 1 1 68 68 ALA CB C 68 18.251 18.251 18.486 -0.235 18261 11549 1 16 . 1 1 68 68 ALA H H 68 7.844 7.844 7.760 0.084 18261 11550 1 16 . 1 1 69 69 LEU N N 69 119.481 119.481 119.417 0.064 18261 11551 1 16 . 1 1 69 69 LEU HA H 69 3.912 3.912 3.765 0.147 18261 11552 1 16 . 1 1 69 69 LEU C C 69 178.864 178.864 178.870 -0.006 18261 11553 1 16 . 1 1 69 69 LEU CA C 69 57.904 57.904 57.201 0.703 18261 11554 1 16 . 1 1 69 69 LEU CB C 69 41.052 41.052 39.769 1.284 18261 11555 1 16 . 1 1 69 69 LEU H H 69 7.819 7.819 7.888 -0.069 18261 11556 1 16 . 1 1 70 70 ASN N N 70 119.633 119.633 118.025 1.608 18261 11557 1 16 . 1 1 70 70 ASN HA H 70 4.553 4.553 4.463 0.090 18261 11558 1 16 . 1 1 70 70 ASN C C 70 177.483 177.483 177.539 -0.056 18261 11559 1 16 . 1 1 70 70 ASN CA C 70 57.125 57.125 56.848 0.277 18261 11560 1 16 . 1 1 70 70 ASN CB C 70 38.392 38.392 38.875 -0.483 18261 11561 1 16 . 1 1 70 70 ASN H H 70 8.265 8.265 8.239 0.026 18261 11562 1 16 . 1 1 71 71 MET N N 71 118.024 118.024 119.802 -1.778 18261 11563 1 16 . 1 1 71 71 MET HA H 71 4.201 4.201 4.242 -0.041 18261 11564 1 16 . 1 1 71 71 MET C C 71 178.279 178.279 178.368 -0.089 18261 11565 1 16 . 1 1 71 71 MET CA C 71 59.445 59.445 59.724 -0.279 18261 11566 1 16 . 1 1 71 71 MET CB C 71 32.313 32.313 32.700 -0.387 18261 11567 1 16 . 1 1 71 71 MET H H 71 8.098 8.098 7.590 0.508 18261 11568 1 16 . 1 1 72 72 ARG N N 72 121.985 121.985 119.636 2.349 18261 11569 1 16 . 1 1 72 72 ARG HA H 72 3.981 3.981 4.085 -0.104 18261 11570 1 16 . 1 1 72 72 ARG C C 72 179.059 179.059 179.297 -0.238 18261 11571 1 16 . 1 1 72 72 ARG CA C 72 59.058 59.058 58.400 0.658 18261 11572 1 16 . 1 1 72 72 ARG CB C 72 30.120 30.120 29.367 0.753 18261 11573 1 16 . 1 1 72 72 ARG H H 72 8.292 8.292 7.987 0.305 18261 11574 1 16 . 1 1 73 73 PHE N N 73 122.085 122.085 121.414 0.671 18261 11575 1 16 . 1 1 73 73 PHE HA H 73 4.529 4.529 4.177 0.352 18261 11576 1 16 . 1 1 73 73 PHE C C 73 177.258 177.258 177.060 0.198 18261 11577 1 16 . 1 1 73 73 PHE CA C 73 59.248 59.248 60.592 -1.344 18261 11578 1 16 . 1 1 73 73 PHE CB C 73 39.527 39.527 38.600 0.927 18261 11579 1 16 . 1 1 73 73 PHE H H 73 8.703 8.703 8.771 -0.068 18261 11580 1 16 . 1 1 74 74 ALA N N 74 119.273 119.273 120.640 -1.367 18261 11581 1 16 . 1 1 74 74 ALA HA H 74 3.764 3.764 3.886 -0.122 18261 11582 1 16 . 1 1 74 74 ALA C C 74 179.374 179.374 179.228 0.146 18261 11583 1 16 . 1 1 74 74 ALA CA C 74 55.324 55.324 54.825 0.499 18261 11584 1 16 . 1 1 74 74 ALA CB C 74 20.509 20.509 18.585 1.924 18261 11585 1 16 . 1 1 74 74 ALA H H 74 8.598 8.598 7.634 0.964 18261 11586 1 16 . 1 1 75 75 SER N N 75 113.611 113.611 113.750 -0.139 18261 11587 1 16 . 1 1 75 75 SER HA H 75 3.636 3.636 4.182 -0.546 18261 11588 1 16 . 1 1 75 75 SER CA C 75 61.936 61.936 61.235 0.701 18261 11589 1 16 . 1 1 75 75 SER CB C 75 61.869 61.869 62.833 -0.964 18261 11590 1 16 . 1 1 75 75 SER H H 75 8.780 8.780 8.365 0.415 18261 11591 1 16 . 1 1 76 76 SER N N 76 119.013 119.013 119.679 -0.666 18261 11592 1 16 . 1 1 76 76 SER HA H 76 4.310 4.310 4.482 -0.172 18261 11593 1 16 . 1 1 76 76 SER CA C 76 62.536 62.536 61.197 1.339 18261 11594 1 16 . 1 1 76 76 SER CB C 76 62.943 62.943 63.315 -0.372 18261 11595 1 16 . 1 1 76 76 SER H H 76 8.210 8.210 8.336 -0.126 18261 11596 1 16 . 1 1 77 77 MET N N 77 120.105 120.105 119.438 0.667 18261 11597 1 16 . 1 1 77 77 MET HA H 77 4.027 4.027 4.355 -0.328 18261 11598 1 16 . 1 1 77 77 MET C C 77 178.354 178.354 178.068 0.286 18261 11599 1 16 . 1 1 77 77 MET CA C 77 59.954 59.954 58.408 1.546 18261 11600 1 16 . 1 1 77 77 MET CB C 77 34.616 34.616 31.900 2.716 18261 11601 1 16 . 1 1 77 77 MET H H 77 8.005 8.005 7.595 0.410 18261 11602 1 16 . 1 1 78 78 ALA N N 78 121.530 121.530 123.374 -1.844 18261 11603 1 16 . 1 1 78 78 ALA HA H 78 3.933 3.933 4.105 -0.172 18261 11604 1 16 . 1 1 78 78 ALA C C 78 178.354 178.354 179.701 -1.347 18261 11605 1 16 . 1 1 78 78 ALA CA C 78 55.427 55.427 55.068 0.359 18261 11606 1 16 . 1 1 78 78 ALA CB C 78 20.344 20.344 17.912 2.432 18261 11607 1 16 . 1 1 78 78 ALA H H 78 8.550 8.550 7.870 0.680 18261 11608 1 16 . 1 1 79 79 GLU N N 79 117.137 117.137 118.492 -1.355 18261 11609 1 16 . 1 1 79 79 GLU HA H 79 3.919 3.919 4.083 -0.164 18261 11610 1 16 . 1 1 79 79 GLU C C 79 178.894 178.894 178.542 0.352 18261 11611 1 16 . 1 1 79 79 GLU CA C 79 59.445 59.445 59.092 0.353 18261 11612 1 16 . 1 1 79 79 GLU CB C 79 29.895 29.895 29.713 0.182 18261 11613 1 16 . 1 1 79 79 GLU H H 79 7.737 7.737 7.736 0.001 18261 11614 1 16 . 1 1 80 80 ILE N N 80 118.063 118.063 118.607 -0.544 18261 11615 1 16 . 1 1 80 80 ILE HA H 80 3.932 3.932 3.878 0.054 18261 11616 1 16 . 1 1 80 80 ILE C C 80 179.014 179.014 178.263 0.751 18261 11617 1 16 . 1 1 80 80 ILE CA C 80 63.727 63.727 64.419 -0.692 18261 11618 1 16 . 1 1 80 80 ILE CB C 80 38.208 38.208 38.183 0.025 18261 11619 1 16 . 1 1 80 80 ILE H H 80 7.239 7.239 7.675 -0.436 18261 11620 1 16 . 1 1 81 81 ALA N N 81 121.494 121.494 122.762 -1.268 18261 11621 1 16 . 1 1 81 81 ALA HA H 81 3.961 3.961 4.440 -0.479 18261 11622 1 16 . 1 1 81 81 ALA C C 81 177.258 177.258 178.540 -1.282 18261 11623 1 16 . 1 1 81 81 ALA CA C 81 54.668 54.668 54.595 0.073 18261 11624 1 16 . 1 1 81 81 ALA CB C 81 17.887 17.887 18.420 -0.533 18261 11625 1 16 . 1 1 81 81 ALA H H 81 8.495 8.495 8.552 -0.057 18261 11626 1 16 . 1 1 82 82 ALA N N 82 116.416 116.416 119.322 -2.906 18261 11627 1 16 . 1 1 82 82 ALA HA H 82 4.316 4.316 4.224 0.092 18261 11628 1 16 . 1 1 82 82 ALA C C 82 177.693 177.693 176.925 0.768 18261 11629 1 16 . 1 1 82 82 ALA CA C 82 52.630 52.630 52.343 0.287 18261 11630 1 16 . 1 1 82 82 ALA CB C 82 19.224 19.224 18.750 0.474 18261 11631 1 16 . 1 1 82 82 ALA H H 82 8.034 8.034 7.928 0.106 18261 11632 1 16 . 1 1 83 83 SER N N 83 112.672 112.672 114.741 -2.069 18261 11633 1 16 . 1 1 83 83 SER HA H 83 4.299 4.299 4.486 -0.187 18261 11634 1 16 . 1 1 83 83 SER C C 83 174.856 174.856 175.430 -0.574 18261 11635 1 16 . 1 1 83 83 SER CA C 83 59.329 59.329 56.559 2.771 18261 11636 1 16 . 1 1 83 83 SER CB C 83 63.943 63.943 62.860 1.083 18261 11637 1 16 . 1 1 83 83 SER H H 83 7.437 7.437 7.591 -0.154 18261 11638 1 16 . 1 1 84 84 GLU N N 84 122.890 122.890 127.682 -4.792 18261 11639 1 16 . 1 1 84 84 GLU HA H 84 4.420 4.420 3.894 0.526 18261 11640 1 16 . 1 1 84 84 GLU C C 84 176.597 176.597 177.156 -0.559 18261 11641 1 16 . 1 1 84 84 GLU CA C 84 56.586 56.586 59.680 -3.094 18261 11642 1 16 . 1 1 84 84 GLU CB C 84 30.648 30.648 29.720 0.929 18261 11643 1 16 . 1 1 84 84 GLU H H 84 8.245 8.245 8.582 -0.337 18261 11644 1 16 . 1 1 85 85 GLU N N 85 122.062 122.062 119.528 2.534 18261 11645 1 16 . 1 1 85 85 GLU HA H 85 4.285 4.285 4.011 0.274 18261 11646 1 16 . 1 1 85 85 GLU C C 85 177.258 177.258 176.742 0.516 18261 11647 1 16 . 1 1 85 85 GLU CA C 85 57.128 57.128 57.446 -0.318 18261 11648 1 16 . 1 1 85 85 GLU CB C 85 30.121 30.121 30.057 0.064 18261 11649 1 16 . 1 1 85 85 GLU H H 85 8.477 8.477 8.369 0.108 18261 11650 1 16 . 1 1 86 86 GLY N N 86 110.431 110.431 112.638 -2.207 18261 11651 1 16 . 1 1 86 86 GLY C C 86 174.856 174.856 173.707 1.149 18261 11652 1 16 . 1 1 86 86 GLY CA C 86 45.654 45.654 44.501 1.153 18261 11653 1 16 . 1 1 86 86 GLY H H 86 8.563 8.563 8.192 0.371 18261 11654 1 16 . 1 1 87 87 GLY N N 87 108.508 108.508 111.178 -2.670 18261 11655 1 16 . 1 1 87 87 GLY C C 87 174.436 174.436 175.117 -0.681 18261 11656 1 16 . 1 1 87 87 GLY CA C 87 45.396 45.396 44.257 1.139 18261 11657 1 16 . 1 1 87 87 GLY H H 87 8.274 8.274 8.108 0.166 18261 11658 1 16 . 1 1 88 88 GLY N N 88 107.821 107.821 109.448 -1.627 18261 11659 1 16 . 1 1 88 88 GLY C C 88 173.325 173.325 174.689 -1.364 18261 11660 1 16 . 1 1 88 88 GLY CA C 88 44.814 44.814 45.156 -0.342 18261 11661 1 16 . 1 1 88 88 GLY H H 88 8.105 8.105 7.750 0.355 18261 11662 1 16 . 1 1 89 89 SER N N 89 115.747 115.747 117.985 -2.238 18261 11663 1 16 . 1 1 89 89 SER HA H 89 4.582 4.582 4.324 0.258 18261 11664 1 16 . 1 1 89 89 SER C C 89 175.066 175.066 175.682 -0.616 18261 11665 1 16 . 1 1 89 89 SER CA C 89 57.256 57.256 57.881 -0.625 18261 11666 1 16 . 1 1 89 89 SER CB C 89 65.130 65.130 63.636 1.494 18261 11667 1 16 . 1 1 89 89 SER H H 89 8.476 8.476 7.861 0.615 18261 11668 1 16 . 1 1 90 90 LEU N N 90 124.735 124.735 128.273 -3.538 18261 11669 1 16 . 1 1 90 90 LEU HA H 90 4.106 4.106 4.211 -0.105 18261 11670 1 16 . 1 1 90 90 LEU C C 90 179.434 179.434 178.005 1.429 18261 11671 1 16 . 1 1 90 90 LEU CA C 90 58.434 58.434 57.327 1.107 18261 11672 1 16 . 1 1 90 90 LEU CB C 90 41.377 41.377 42.171 -0.794 18261 11673 1 16 . 1 1 90 90 LEU H H 90 8.860 8.860 8.745 0.115 18261 11674 1 16 . 1 1 91 91 SER N N 91 113.851 113.851 115.242 -1.391 18261 11675 1 16 . 1 1 91 91 SER C C 91 177.325 177.325 175.873 1.452 18261 11676 1 16 . 1 1 91 91 SER CA C 91 61.261 61.261 61.376 -0.115 18261 11677 1 16 . 1 1 91 91 SER CB C 91 62.010 62.010 62.931 -0.921 18261 11678 1 16 . 1 1 91 91 SER H H 91 8.537 8.537 7.757 0.780 18261 11679 1 16 . 1 1 92 92 THR N N 92 120.889 120.889 118.333 2.556 18261 11680 1 16 . 1 1 92 92 THR HA H 92 3.993 3.993 4.066 -0.073 18261 11681 1 16 . 1 1 92 92 THR C C 92 176.162 176.162 176.358 -0.196 18261 11682 1 16 . 1 1 92 92 THR CA C 92 66.467 66.467 66.012 0.455 18261 11683 1 16 . 1 1 92 92 THR CB C 92 68.285 68.285 68.565 -0.280 18261 11684 1 16 . 1 1 92 92 THR H H 92 7.795 7.795 7.680 0.115 18261 11685 1 16 . 1 1 93 93 LYS N N 93 120.210 120.210 121.891 -1.681 18261 11686 1 16 . 1 1 93 93 LYS HA H 93 3.798 3.798 3.599 0.199 18261 11687 1 16 . 1 1 93 93 LYS CA C 93 61.044 61.044 59.994 1.050 18261 11688 1 16 . 1 1 93 93 LYS CB C 93 33.470 33.470 32.100 1.370 18261 11689 1 16 . 1 1 93 93 LYS H H 93 8.098 8.098 7.458 0.640 18261 11690 1 16 . 1 1 94 94 THR N N 94 111.485 111.485 113.011 -1.526 18261 11691 1 16 . 1 1 94 94 THR HA H 94 3.936 3.936 4.157 -0.221 18261 11692 1 16 . 1 1 94 94 THR C C 94 177.033 177.033 176.677 0.356 18261 11693 1 16 . 1 1 94 94 THR CA C 94 66.974 66.974 66.133 0.841 18261 11694 1 16 . 1 1 94 94 THR CB C 94 68.013 68.013 68.200 -0.187 18261 11695 1 16 . 1 1 94 94 THR H H 94 8.891 8.891 8.456 0.435 18261 11696 1 16 . 1 1 95 95 SER N N 95 118.938 118.938 118.060 0.878 18261 11697 1 16 . 1 1 95 95 SER HA H 95 4.394 4.394 4.268 0.126 18261 11698 1 16 . 1 1 95 95 SER C C 95 177.828 177.828 176.400 1.428 18261 11699 1 16 . 1 1 95 95 SER CA C 95 61.990 61.990 61.542 0.448 18261 11700 1 16 . 1 1 95 95 SER CB C 95 62.580 62.580 62.867 -0.287 18261 11701 1 16 . 1 1 95 95 SER H H 95 8.118 8.118 7.730 0.388 18261 11702 1 16 . 1 1 96 96 SER N N 96 121.520 121.520 118.513 3.007 18261 11703 1 16 . 1 1 96 96 SER HA H 96 4.457 4.457 4.168 0.289 18261 11704 1 16 . 1 1 96 96 SER CA C 96 62.695 62.695 61.603 1.092 18261 11705 1 16 . 1 1 96 96 SER CB C 96 62.796 62.796 63.037 -0.241 18261 11706 1 16 . 1 1 96 96 SER H H 96 8.603 8.603 7.809 0.794 18261 11707 1 16 . 1 1 97 97 ILE N N 97 122.420 122.420 121.670 0.750 18261 11708 1 16 . 1 1 97 97 ILE HA H 97 3.792 3.792 3.735 0.057 18261 11709 1 16 . 1 1 97 97 ILE C C 97 177.693 177.693 177.634 0.059 18261 11710 1 16 . 1 1 97 97 ILE CA C 97 66.722 66.722 65.594 1.128 18261 11711 1 16 . 1 1 97 97 ILE CB C 97 38.645 38.645 38.052 0.593 18261 11712 1 16 . 1 1 97 97 ILE H H 97 8.516 8.516 7.930 0.586 18261 11713 1 16 . 1 1 98 98 ALA N N 98 122.031 122.031 119.805 2.226 18261 11714 1 16 . 1 1 98 98 ALA HA H 98 4.063 4.063 4.141 -0.078 18261 11715 1 16 . 1 1 98 98 ALA C C 98 180.740 180.740 179.117 1.623 18261 11716 1 16 . 1 1 98 98 ALA CA C 98 56.158 56.158 54.820 1.338 18261 11717 1 16 . 1 1 98 98 ALA CB C 98 18.347 18.347 18.253 0.094 18261 11718 1 16 . 1 1 98 98 ALA H H 98 8.437 8.437 7.959 0.478 18261 11719 1 16 . 1 1 99 99 SER N N 99 115.676 115.676 115.136 0.540 18261 11720 1 16 . 1 1 99 99 SER HA H 99 4.369 4.369 4.457 -0.088 18261 11721 1 16 . 1 1 99 99 SER C C 99 177.168 177.168 176.342 0.826 18261 11722 1 16 . 1 1 99 99 SER CA C 99 61.959 61.959 60.665 1.294 18261 11723 1 16 . 1 1 99 99 SER CB C 99 63.160 63.160 62.871 0.289 18261 11724 1 16 . 1 1 99 99 SER H H 99 8.611 8.611 7.658 0.953 18261 11725 1 16 . 1 1 100 100 ALA N N 100 124.275 124.275 124.828 -0.553 18261 11726 1 16 . 1 1 100 100 ALA HA H 100 4.243 4.243 4.106 0.137 18261 11727 1 16 . 1 1 100 100 ALA C C 100 181.851 181.851 179.241 2.610 18261 11728 1 16 . 1 1 100 100 ALA CA C 100 55.321 55.321 54.882 0.439 18261 11729 1 16 . 1 1 100 100 ALA CB C 100 18.479 18.479 18.258 0.221 18261 11730 1 16 . 1 1 100 100 ALA H H 100 8.973 8.973 7.749 1.224 18261 11731 1 16 . 1 1 101 101 MET N N 101 118.986 118.986 119.036 -0.050 18261 11732 1 16 . 1 1 101 101 MET HA H 101 4.063 4.063 4.158 -0.095 18261 11733 1 16 . 1 1 101 101 MET C C 101 177.483 177.483 177.944 -0.461 18261 11734 1 16 . 1 1 101 101 MET CA C 101 60.999 60.999 59.834 1.165 18261 11735 1 16 . 1 1 101 101 MET CB C 101 34.583 34.583 33.140 1.443 18261 11736 1 16 . 1 1 101 101 MET H H 101 9.072 9.072 8.836 0.236 18261 11737 1 16 . 1 1 102 102 SER N N 102 116.650 116.650 114.325 2.325 18261 11738 1 16 . 1 1 102 102 SER HA H 102 4.370 4.370 4.440 -0.070 18261 11739 1 16 . 1 1 102 102 SER C C 102 176.357 176.357 176.904 -0.547 18261 11740 1 16 . 1 1 102 102 SER CA C 102 63.278 63.278 61.999 1.279 18261 11741 1 16 . 1 1 102 102 SER CB C 102 62.523 62.523 62.594 -0.071 18261 11742 1 16 . 1 1 102 102 SER H H 102 8.673 8.673 8.040 0.633 18261 11743 1 16 . 1 1 103 103 ASN N N 103 118.060 118.060 120.966 -2.906 18261 11744 1 16 . 1 1 103 103 ASN HA H 103 4.477 4.477 4.529 -0.052 18261 11745 1 16 . 1 1 103 103 ASN C C 103 176.603 176.603 177.234 -0.631 18261 11746 1 16 . 1 1 103 103 ASN CA C 103 56.564 56.564 55.851 0.713 18261 11747 1 16 . 1 1 103 103 ASN CB C 103 38.362 38.362 38.511 -0.149 18261 11748 1 16 . 1 1 103 103 ASN H H 103 8.098 8.098 7.777 0.321 18261 11749 1 16 . 1 1 104 104 ALA N N 104 122.235 122.235 122.478 -0.243 18261 11750 1 16 . 1 1 104 104 ALA HA H 104 4.255 4.255 3.922 0.333 18261 11751 1 16 . 1 1 104 104 ALA C C 104 181.701 181.701 179.533 2.168 18261 11752 1 16 . 1 1 104 104 ALA CA C 104 54.815 54.815 54.874 -0.059 18261 11753 1 16 . 1 1 104 104 ALA CB C 104 18.177 18.177 17.990 0.187 18261 11754 1 16 . 1 1 104 104 ALA H H 104 7.919 7.919 8.076 -0.157 18261 11755 1 16 . 1 1 105 105 PHE N N 105 119.159 119.159 118.503 0.656 18261 11756 1 16 . 1 1 105 105 PHE HA H 105 4.401 4.401 4.466 -0.065 18261 11757 1 16 . 1 1 105 105 PHE C C 105 179.224 179.224 178.323 0.901 18261 11758 1 16 . 1 1 105 105 PHE CA C 105 63.744 63.744 61.484 2.260 18261 11759 1 16 . 1 1 105 105 PHE CB C 105 39.417 39.417 38.632 0.785 18261 11760 1 16 . 1 1 105 105 PHE H H 105 8.615 8.615 8.193 0.422 18261 11761 1 16 . 1 1 106 106 LEU N N 106 121.765 121.765 118.403 3.362 18261 11762 1 16 . 1 1 106 106 LEU HA H 106 3.741 3.741 4.113 -0.372 18261 11763 1 16 . 1 1 106 106 LEU C C 106 179.074 179.074 179.426 -0.352 18261 11764 1 16 . 1 1 106 106 LEU CA C 106 59.086 59.086 58.061 1.025 18261 11765 1 16 . 1 1 106 106 LEU CB C 106 41.265 41.265 41.258 0.007 18261 11766 1 16 . 1 1 106 106 LEU H H 106 8.259 8.259 7.897 0.362 18261 11767 1 16 . 1 1 107 107 GLN N N 107 114.755 114.755 116.654 -1.899 18261 11768 1 16 . 1 1 107 107 GLN HA H 107 4.189 4.189 4.246 -0.057 18261 11769 1 16 . 1 1 107 107 GLN C C 107 176.822 176.822 177.197 -0.375 18261 11770 1 16 . 1 1 107 107 GLN CA C 107 57.461 57.461 57.926 -0.465 18261 11771 1 16 . 1 1 107 107 GLN CB C 107 29.393 29.393 28.442 0.951 18261 11772 1 16 . 1 1 107 107 GLN H H 107 8.176 8.176 8.058 0.118 18261 11773 1 16 . 1 1 108 108 THR N N 108 108.074 108.074 111.497 -3.423 18261 11774 1 16 . 1 1 108 108 THR HA H 108 4.517 4.517 4.442 0.075 18261 11775 1 16 . 1 1 108 108 THR C C 108 175.952 175.952 176.051 -0.099 18261 11776 1 16 . 1 1 108 108 THR CA C 108 62.526 62.526 64.194 -1.668 18261 11777 1 16 . 1 1 108 108 THR CB C 108 70.320 70.320 70.014 0.306 18261 11778 1 16 . 1 1 108 108 THR H H 108 7.740 7.740 7.596 0.144 18261 11779 1 16 . 1 1 109 109 THR N N 109 113.029 113.029 111.723 1.306 18261 11780 1 16 . 1 1 109 109 THR HA H 109 4.620 4.620 4.564 0.056 18261 11781 1 16 . 1 1 109 109 THR C C 109 176.162 176.162 176.503 -0.341 18261 11782 1 16 . 1 1 109 109 THR CA C 109 62.255 62.255 62.127 0.128 18261 11783 1 16 . 1 1 109 109 THR CB C 109 70.768 70.768 71.099 -0.331 18261 11784 1 16 . 1 1 109 109 THR H H 109 8.869 8.869 8.239 0.630 18261 11785 1 16 . 1 1 110 110 GLY N N 110 109.433 109.433 110.996 -1.563 18261 11786 1 16 . 1 1 110 110 GLY C C 110 172.889 172.889 173.966 -1.077 18261 11787 1 16 . 1 1 110 110 GLY CA C 110 45.555 45.555 45.121 0.434 18261 11788 1 16 . 1 1 110 110 GLY H H 110 8.298 8.298 8.262 0.036 18261 11789 1 16 . 1 1 111 111 VAL N N 111 119.167 119.167 121.509 -2.342 18261 11790 1 16 . 1 1 111 111 VAL HA H 111 4.266 4.266 4.397 -0.131 18261 11791 1 16 . 1 1 111 111 VAL C C 111 174.421 174.421 174.503 -0.082 18261 11792 1 16 . 1 1 111 111 VAL CA C 111 60.783 60.783 60.662 0.121 18261 11793 1 16 . 1 1 111 111 VAL CB C 111 35.394 35.394 34.069 1.325 18261 11794 1 16 . 1 1 111 111 VAL H H 111 7.786 7.786 8.063 -0.277 18261 11795 1 16 . 1 1 112 112 VAL N N 112 124.920 124.920 123.145 1.775 18261 11796 1 16 . 1 1 112 112 VAL HA H 112 3.251 3.251 4.070 -0.819 18261 11797 1 16 . 1 1 112 112 VAL C C 112 174.646 174.646 174.091 0.555 18261 11798 1 16 . 1 1 112 112 VAL CA C 112 64.409 64.409 60.472 3.937 18261 11799 1 16 . 1 1 112 112 VAL CB C 112 32.626 32.626 33.460 -0.834 18261 11800 1 16 . 1 1 112 112 VAL H H 112 8.721 8.721 8.236 0.485 18261 11801 1 16 . 1 1 113 113 ASN HA H 113 4.505 4.505 4.587 -0.082 18261 11802 1 16 . 1 1 113 113 ASN CA C 113 50.080 50.080 52.121 -2.041 18261 11803 1 16 . 1 1 113 113 ASN CB C 113 36.910 36.910 38.635 -1.725 18261 11804 1 16 . 1 1 114 114 GLN N N 114 123.939 123.939 127.862 -3.923 18261 11805 1 16 . 1 1 114 114 GLN HA H 114 3.944 3.944 4.341 -0.397 18261 11806 1 16 . 1 1 114 114 GLN C C 114 174.811 174.811 174.928 -0.117 18261 11807 1 16 . 1 1 114 114 GLN CA C 114 59.348 59.348 59.273 0.075 18261 11808 1 16 . 1 1 114 114 GLN CB C 114 26.505 26.505 27.040 -0.535 18261 11809 1 16 . 1 1 114 114 GLN H H 114 8.368 8.368 8.651 -0.283 18261 11810 1 16 . 1 1 115 115 PRO HA H 115 4.243 4.243 4.060 0.183 18261 11811 1 16 . 1 1 115 115 PRO CA C 115 66.602 66.602 65.698 0.903 18261 11812 1 16 . 1 1 115 115 PRO CB C 115 31.215 31.215 31.034 0.181 18261 11813 1 16 . 1 1 116 116 PHE N N 116 117.612 117.612 115.474 2.138 18261 11814 1 16 . 1 1 116 116 PHE HA H 116 4.209 4.209 4.514 -0.305 18261 11815 1 16 . 1 1 116 116 PHE C C 116 176.597 176.597 178.310 -1.713 18261 11816 1 16 . 1 1 116 116 PHE CA C 116 61.261 61.261 60.302 0.959 18261 11817 1 16 . 1 1 116 116 PHE CB C 116 39.506 39.506 38.194 1.312 18261 11818 1 16 . 1 1 116 116 PHE H H 116 7.249 7.249 8.415 -1.166 18261 11819 1 16 . 1 1 117 117 ILE N N 117 119.233 119.233 121.131 -1.898 18261 11820 1 16 . 1 1 117 117 ILE HA H 117 3.537 3.537 3.860 -0.323 18261 11821 1 16 . 1 1 117 117 ILE C C 117 178.789 178.789 178.438 0.351 18261 11822 1 16 . 1 1 117 117 ILE CA C 117 65.677 65.677 65.144 0.533 18261 11823 1 16 . 1 1 117 117 ILE CB C 117 38.125 38.125 37.576 0.549 18261 11824 1 16 . 1 1 117 117 ILE H H 117 7.652 7.652 7.578 0.074 18261 11825 1 16 . 1 1 118 118 ASN N N 118 119.875 119.875 119.723 0.152 18261 11826 1 16 . 1 1 118 118 ASN HA H 118 4.304 4.304 4.558 -0.254 18261 11827 1 16 . 1 1 118 118 ASN C C 118 177.033 177.033 178.093 -1.060 18261 11828 1 16 . 1 1 118 118 ASN CA C 118 55.716 55.716 56.173 -0.457 18261 11829 1 16 . 1 1 118 118 ASN CB C 118 37.423 37.423 37.841 -0.418 18261 11830 1 16 . 1 1 118 118 ASN H H 118 8.975 8.975 8.163 0.812 18261 11831 1 16 . 1 1 119 119 GLU N N 119 121.029 121.029 121.041 -0.012 18261 11832 1 16 . 1 1 119 119 GLU HA H 119 4.026 4.026 4.104 -0.078 18261 11833 1 16 . 1 1 119 119 GLU C C 119 178.564 178.564 179.228 -0.664 18261 11834 1 16 . 1 1 119 119 GLU CA C 119 59.426 59.426 59.365 0.061 18261 11835 1 16 . 1 1 119 119 GLU CB C 119 29.646 29.646 29.824 -0.178 18261 11836 1 16 . 1 1 119 119 GLU H H 119 8.120 8.120 7.664 0.456 18261 11837 1 16 . 1 1 120 120 ILE N N 120 117.654 117.654 120.102 -2.448 18261 11838 1 16 . 1 1 120 120 ILE HA H 120 3.734 3.734 3.916 -0.182 18261 11839 1 16 . 1 1 120 120 ILE C C 120 178.279 178.279 178.224 0.055 18261 11840 1 16 . 1 1 120 120 ILE CA C 120 62.756 62.756 65.492 -2.736 18261 11841 1 16 . 1 1 120 120 ILE CB C 120 35.645 35.645 38.108 -2.463 18261 11842 1 16 . 1 1 120 120 ILE H H 120 8.077 8.077 8.755 -0.678 18261 11843 1 16 . 1 1 121 121 THR N N 121 112.585 112.585 114.596 -2.011 18261 11844 1 16 . 1 1 121 121 THR HA H 121 3.753 3.753 3.994 -0.241 18261 11845 1 16 . 1 1 121 121 THR C C 121 177.258 177.258 176.980 0.278 18261 11846 1 16 . 1 1 121 121 THR CA C 121 67.090 67.090 66.577 0.513 18261 11847 1 16 . 1 1 121 121 THR CB C 121 68.254 68.254 68.196 0.058 18261 11848 1 16 . 1 1 121 121 THR H H 121 8.640 8.640 8.489 0.151 18261 11849 1 16 . 1 1 122 122 GLN N N 122 123.063 123.063 120.821 2.242 18261 11850 1 16 . 1 1 122 122 GLN HA H 122 4.091 4.091 4.142 -0.051 18261 11851 1 16 . 1 1 122 122 GLN C C 122 179.014 179.014 178.645 0.369 18261 11852 1 16 . 1 1 122 122 GLN CA C 122 59.192 59.192 58.481 0.711 18261 11853 1 16 . 1 1 122 122 GLN CB C 122 28.020 28.020 28.166 -0.145 18261 11854 1 16 . 1 1 122 122 GLN H H 122 8.111 8.111 7.877 0.234 18261 11855 1 16 . 1 1 123 123 LEU N N 123 120.494 120.494 120.513 -0.019 18261 11856 1 16 . 1 1 123 123 LEU HA H 123 3.841 3.841 3.872 -0.031 18261 11857 1 16 . 1 1 123 123 LEU C C 123 178.354 178.354 179.058 -0.704 18261 11858 1 16 . 1 1 123 123 LEU CA C 123 58.005 58.005 57.896 0.109 18261 11859 1 16 . 1 1 123 123 LEU CB C 123 42.580 42.580 41.713 0.867 18261 11860 1 16 . 1 1 123 123 LEU H H 123 8.131 8.131 7.922 0.209 18261 11861 1 16 . 1 1 124 124 VAL N N 124 118.543 118.543 120.743 -2.200 18261 11862 1 16 . 1 1 124 124 VAL HA H 124 3.560 3.560 3.792 -0.232 18261 11863 1 16 . 1 1 124 124 VAL C C 124 177.453 177.453 178.952 -1.499 18261 11864 1 16 . 1 1 124 124 VAL CA C 124 67.297 67.297 66.233 1.064 18261 11865 1 16 . 1 1 124 124 VAL CB C 124 31.526 31.526 30.580 0.946 18261 11866 1 16 . 1 1 124 124 VAL H H 124 8.732 8.732 8.782 -0.050 18261 11867 1 16 . 1 1 125 125 SER N N 125 112.449 112.449 114.924 -2.475 18261 11868 1 16 . 1 1 125 125 SER HA H 125 4.044 4.044 4.196 -0.152 18261 11869 1 16 . 1 1 125 125 SER C C 125 175.937 175.937 177.037 -1.100 18261 11870 1 16 . 1 1 125 125 SER CA C 125 62.356 62.356 61.435 0.921 18261 11871 1 16 . 1 1 125 125 SER CB C 125 62.890 62.890 62.999 -0.109 18261 11872 1 16 . 1 1 125 125 SER H H 125 7.863 7.863 8.052 -0.189 18261 11873 1 16 . 1 1 126 126 MET N N 126 120.797 120.797 121.092 -0.295 18261 11874 1 16 . 1 1 126 126 MET HA H 126 4.051 4.051 4.174 -0.123 18261 11875 1 16 . 1 1 126 126 MET C C 126 179.254 179.254 178.243 1.011 18261 11876 1 16 . 1 1 126 126 MET CA C 126 58.939 58.939 58.900 0.039 18261 11877 1 16 . 1 1 126 126 MET CB C 126 32.625 32.625 32.611 0.014 18261 11878 1 16 . 1 1 126 126 MET H H 126 8.033 8.033 7.499 0.534 18261 11879 1 16 . 1 1 127 127 PHE N N 127 118.244 118.244 117.907 0.337 18261 11880 1 16 . 1 1 127 127 PHE HA H 127 4.398 4.398 4.201 0.197 18261 11881 1 16 . 1 1 127 127 PHE C C 127 178.128 178.128 177.130 0.998 18261 11882 1 16 . 1 1 127 127 PHE CA C 127 59.991 59.991 60.354 -0.363 18261 11883 1 16 . 1 1 127 127 PHE CB C 127 38.584 38.584 38.283 0.301 18261 11884 1 16 . 1 1 127 127 PHE H H 127 8.753 8.753 8.451 0.302 18261 11885 1 16 . 1 1 128 128 ALA N N 128 120.518 120.518 119.894 0.624 18261 11886 1 16 . 1 1 128 128 ALA HA H 128 4.152 4.152 4.277 -0.125 18261 11887 1 16 . 1 1 128 128 ALA C C 128 178.789 178.789 180.360 -1.571 18261 11888 1 16 . 1 1 128 128 ALA CA C 128 54.570 54.570 54.657 -0.087 18261 11889 1 16 . 1 1 128 128 ALA CB C 128 19.373 19.373 18.544 0.829 18261 11890 1 16 . 1 1 128 128 ALA H H 128 8.681 8.681 8.289 0.392 18261 11891 1 16 . 1 1 129 129 GLN N N 129 115.315 115.315 117.379 -2.064 18261 11892 1 16 . 1 1 129 129 GLN HA H 129 4.197 4.197 4.118 0.079 18261 11893 1 16 . 1 1 129 129 GLN C C 129 177.258 177.258 176.796 0.462 18261 11894 1 16 . 1 1 129 129 GLN CA C 129 57.519 57.519 58.194 -0.675 18261 11895 1 16 . 1 1 129 129 GLN CB C 129 29.271 29.271 28.696 0.575 18261 11896 1 16 . 1 1 129 129 GLN H H 129 7.835 7.835 8.008 -0.173 18261 11897 1 16 . 1 1 130 130 ALA N N 130 121.556 121.556 116.667 4.889 18261 11898 1 16 . 1 1 130 130 ALA HA H 130 4.285 4.285 4.445 -0.160 18261 11899 1 16 . 1 1 130 130 ALA C C 130 178.564 178.564 177.834 0.730 18261 11900 1 16 . 1 1 130 130 ALA CA C 130 53.823 53.823 51.923 1.900 18261 11901 1 16 . 1 1 130 130 ALA CB C 130 19.058 19.058 18.654 0.404 18261 11902 1 16 . 1 1 130 130 ALA H H 130 7.758 7.758 7.259 0.499 18261 11903 1 16 . 1 1 131 131 GLY N N 131 105.780 105.780 107.037 -1.257 18261 11904 1 16 . 1 1 131 131 GLY C C 131 173.970 173.970 174.730 -0.760 18261 11905 1 16 . 1 1 131 131 GLY CA C 131 45.702 45.702 44.529 1.173 18261 11906 1 16 . 1 1 131 131 GLY H H 131 8.222 8.222 7.691 0.531 18261 11907 1 16 . 1 1 132 132 MET N N 132 118.358 118.358 119.405 -1.047 18261 11908 1 16 . 1 1 132 132 MET HA H 132 4.540 4.540 4.428 0.112 18261 11909 1 16 . 1 1 132 132 MET C C 132 175.952 175.952 176.326 -0.374 18261 11910 1 16 . 1 1 132 132 MET CA C 132 55.611 55.611 57.892 -2.281 18261 11911 1 16 . 1 1 132 132 MET CB C 132 33.473 33.473 34.246 -0.773 18261 11912 1 16 . 1 1 132 132 MET H H 132 7.763 7.763 7.650 0.113 18261 11913 1 16 . 1 1 133 133 ASN N N 133 119.002 119.002 115.984 3.018 18261 11914 1 16 . 1 1 133 133 ASN HA H 133 4.725 4.725 4.838 -0.113 18261 11915 1 16 . 1 1 133 133 ASN C C 133 174.646 174.646 173.929 0.717 18261 11916 1 16 . 1 1 133 133 ASN CA C 133 53.512 53.512 53.337 0.175 18261 11917 1 16 . 1 1 133 133 ASN CB C 133 39.301 39.301 40.798 -1.497 18261 11918 1 16 . 1 1 133 133 ASN H H 133 8.289 8.289 8.335 -0.046 18261 11919 1 16 . 1 1 134 134 ASP N N 134 120.907 120.907 118.505 2.402 18261 11920 1 16 . 1 1 134 134 ASP HA H 134 4.659 4.659 4.490 0.169 18261 11921 1 16 . 1 1 134 134 ASP C C 134 176.162 176.162 175.891 0.271 18261 11922 1 16 . 1 1 134 134 ASP CA C 134 54.379 54.379 55.346 -0.967 18261 11923 1 16 . 1 1 134 134 ASP CB C 134 41.291 41.291 40.800 0.491 18261 11924 1 16 . 1 1 134 134 ASP H H 134 8.364 8.364 8.595 -0.231 18261 11925 1 16 . 1 1 135 135 VAL N N 135 119.971 119.971 117.150 2.821 18261 11926 1 16 . 1 1 135 135 VAL HA H 135 4.214 4.214 4.261 -0.047 18261 11927 1 16 . 1 1 135 135 VAL C C 135 176.162 176.162 174.962 1.200 18261 11928 1 16 . 1 1 135 135 VAL CA C 135 62.157 62.157 62.580 -0.423 18261 11929 1 16 . 1 1 135 135 VAL CB C 135 32.644 32.644 32.442 0.202 18261 11930 1 16 . 1 1 135 135 VAL H H 135 8.118 8.118 7.800 0.318 18261 11931 1 16 . 1 1 136 136 SER N N 136 119.918 119.918 118.256 1.662 18261 11932 1 16 . 1 1 136 136 SER HA H 136 4.462 4.462 4.840 -0.378 18261 11933 1 16 . 1 1 136 136 SER C C 136 173.325 173.325 173.340 -0.015 18261 11934 1 16 . 1 1 136 136 SER CA C 136 58.342 58.342 57.578 0.764 18261 11935 1 16 . 1 1 136 136 SER CB C 136 64.041 64.041 62.173 1.867 18261 11936 1 16 . 1 1 136 136 SER H H 136 8.410 8.410 8.103 0.307 18261 11937 1 17 . 1 1 3 3 GLY CA C 3 45.200 45.200 45.069 0.131 18261 11938 1 17 . 1 1 4 4 ASN N N 4 124.083 124.083 117.570 6.513 18261 11939 1 17 . 1 1 4 4 ASN HA H 4 4.530 4.530 4.829 -0.299 18261 11940 1 17 . 1 1 4 4 ASN C C 4 179.449 179.449 174.777 4.672 18261 11941 1 17 . 1 1 4 4 ASN CA C 4 54.803 54.803 52.361 2.442 18261 11942 1 17 . 1 1 4 4 ASN CB C 4 41.106 41.106 39.216 1.890 18261 11943 1 17 . 1 1 4 4 ASN H H 4 7.981 7.981 8.151 -0.170 18261 11944 1 17 . 1 1 6 6 HIS HA H 6 4.693 4.693 4.680 0.013 18261 11945 1 17 . 1 1 6 6 HIS CA C 6 56.115 56.115 55.157 0.958 18261 11946 1 17 . 1 1 6 6 HIS CB C 6 31.011 31.011 30.660 0.351 18261 11947 1 17 . 1 1 7 7 THR N N 7 115.238 115.238 122.455 -7.217 18261 11948 1 17 . 1 1 7 7 THR HA H 7 4.318 4.318 4.419 -0.101 18261 11949 1 17 . 1 1 7 7 THR C C 7 173.970 173.970 173.635 0.335 18261 11950 1 17 . 1 1 7 7 THR CA C 7 62.099 62.099 62.596 -0.497 18261 11951 1 17 . 1 1 7 7 THR CB C 7 69.779 69.779 68.124 1.655 18261 11952 1 17 . 1 1 7 7 THR H H 7 8.120 8.120 8.564 -0.444 18261 11953 1 17 . 1 1 8 8 THR N N 8 115.713 115.713 121.756 -6.043 18261 11954 1 17 . 1 1 8 8 THR HA H 8 4.146 4.146 4.401 -0.255 18261 11955 1 17 . 1 1 8 8 THR C C 8 172.664 172.664 173.349 -0.685 18261 11956 1 17 . 1 1 8 8 THR CA C 8 58.349 58.349 58.927 -0.578 18261 11957 1 17 . 1 1 8 8 THR CB C 8 69.219 69.219 70.284 -1.065 18261 11958 1 17 . 1 1 8 8 THR H H 8 7.977 7.977 7.786 0.191 18261 11959 1 17 . 1 1 9 9 PRO HA H 9 3.939 3.939 4.057 -0.118 18261 11960 1 17 . 1 1 9 9 PRO CA C 9 62.965 62.965 64.299 -1.335 18261 11961 1 17 . 1 1 9 9 PRO CB C 9 30.610 30.610 30.959 -0.349 18261 11962 1 17 . 1 1 10 10 TRP N N 10 111.487 111.487 115.208 -3.721 18261 11963 1 17 . 1 1 10 10 TRP HA H 10 4.899 4.899 4.688 0.211 18261 11964 1 17 . 1 1 10 10 TRP C C 10 175.817 175.817 176.752 -0.935 18261 11965 1 17 . 1 1 10 10 TRP CA C 10 54.292 54.292 55.492 -1.200 18261 11966 1 17 . 1 1 10 10 TRP CB C 10 31.219 31.219 29.036 2.183 18261 11967 1 17 . 1 1 10 10 TRP H H 10 6.681 6.681 7.128 -0.447 18261 11968 1 17 . 1 1 11 11 THR N N 11 106.120 106.120 113.144 -7.024 18261 11969 1 17 . 1 1 11 11 THR HA H 11 3.905 3.905 4.138 -0.233 18261 11970 1 17 . 1 1 11 11 THR C C 11 173.970 173.970 174.633 -0.663 18261 11971 1 17 . 1 1 11 11 THR CA C 11 63.937 63.937 64.436 -0.499 18261 11972 1 17 . 1 1 11 11 THR CB C 11 69.242 69.242 69.260 -0.018 18261 11973 1 17 . 1 1 11 11 THR H H 11 7.189 7.189 7.469 -0.280 18261 11974 1 17 . 1 1 12 12 ASN N N 12 116.403 116.403 119.338 -2.935 18261 11975 1 17 . 1 1 12 12 ASN HA H 12 5.115 5.115 5.243 -0.128 18261 11976 1 17 . 1 1 12 12 ASN C C 12 172.889 172.889 174.177 -1.288 18261 11977 1 17 . 1 1 12 12 ASN CA C 12 51.276 51.276 50.191 1.085 18261 11978 1 17 . 1 1 12 12 ASN CB C 12 40.474 40.474 40.073 0.401 18261 11979 1 17 . 1 1 12 12 ASN H H 12 7.282 7.282 8.045 -0.763 18261 11980 1 17 . 1 1 13 13 PRO HA H 13 4.210 4.210 4.264 -0.054 18261 11981 1 17 . 1 1 13 13 PRO CA C 13 65.516 65.516 65.582 -0.066 18261 11982 1 17 . 1 1 13 13 PRO CB C 13 32.418 32.418 32.000 0.418 18261 11983 1 17 . 1 1 14 14 GLY N N 14 108.796 108.796 105.227 3.569 18261 11984 1 17 . 1 1 14 14 GLY C C 14 175.952 175.952 176.161 -0.209 18261 11985 1 17 . 1 1 14 14 GLY CA C 14 47.073 47.073 46.447 0.626 18261 11986 1 17 . 1 1 14 14 GLY H H 14 8.363 8.363 8.516 -0.153 18261 11987 1 17 . 1 1 15 15 LEU N N 15 124.473 124.473 122.812 1.661 18261 11988 1 17 . 1 1 15 15 LEU HA H 15 4.335 4.335 4.249 0.086 18261 11989 1 17 . 1 1 15 15 LEU C C 15 178.564 178.564 178.162 0.402 18261 11990 1 17 . 1 1 15 15 LEU CA C 15 57.402 57.402 56.720 0.682 18261 11991 1 17 . 1 1 15 15 LEU CB C 15 41.600 41.600 41.658 -0.058 18261 11992 1 17 . 1 1 15 15 LEU H H 15 7.890 7.890 7.464 0.426 18261 11993 1 17 . 1 1 16 16 ALA N N 16 121.371 121.371 122.493 -1.122 18261 11994 1 17 . 1 1 16 16 ALA HA H 16 4.000 4.000 4.136 -0.136 18261 11995 1 17 . 1 1 16 16 ALA C C 16 179.104 179.104 179.655 -0.551 18261 11996 1 17 . 1 1 16 16 ALA CA C 16 56.360 56.360 55.644 0.716 18261 11997 1 17 . 1 1 16 16 ALA CB C 16 19.351 19.351 18.584 0.767 18261 11998 1 17 . 1 1 16 16 ALA H H 16 8.429 8.429 8.238 0.191 18261 11999 1 17 . 1 1 17 17 GLU N N 17 117.199 117.199 117.405 -0.206 18261 12000 1 17 . 1 1 17 17 GLU HA H 17 3.964 3.964 3.976 -0.012 18261 12001 1 17 . 1 1 17 17 GLU C C 17 177.993 177.993 178.923 -0.930 18261 12002 1 17 . 1 1 17 17 GLU CA C 17 59.543 59.543 59.347 0.196 18261 12003 1 17 . 1 1 17 17 GLU CB C 17 29.932 29.932 29.171 0.761 18261 12004 1 17 . 1 1 17 17 GLU H H 17 8.030 8.030 8.416 -0.386 18261 12005 1 17 . 1 1 18 18 ASN N N 18 118.433 118.433 118.750 -0.317 18261 12006 1 17 . 1 1 18 18 ASN HA H 18 4.546 4.546 4.594 -0.048 18261 12007 1 17 . 1 1 18 18 ASN C C 18 178.347 178.347 177.544 0.803 18261 12008 1 17 . 1 1 18 18 ASN CA C 18 56.226 56.226 56.342 -0.116 18261 12009 1 17 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.809 -0.685 18261 12010 1 17 . 1 1 18 18 ASN H H 18 8.075 8.075 7.559 0.516 18261 12011 1 17 . 1 1 19 19 PHE N N 19 122.078 122.078 123.976 -1.898 18261 12012 1 17 . 1 1 19 19 PHE HA H 19 3.881 3.881 4.301 -0.420 18261 12013 1 17 . 1 1 19 19 PHE C C 19 176.837 176.837 177.508 -0.671 18261 12014 1 17 . 1 1 19 19 PHE CA C 19 62.230 62.230 61.717 0.513 18261 12015 1 17 . 1 1 19 19 PHE CB C 19 39.450 39.450 39.289 0.161 18261 12016 1 17 . 1 1 19 19 PHE H H 19 9.623 9.623 8.932 0.691 18261 12017 1 17 . 1 1 20 20 MET N N 20 118.264 118.264 117.038 1.226 18261 12018 1 17 . 1 1 20 20 MET HA H 20 4.424 4.424 4.086 0.338 18261 12019 1 17 . 1 1 20 20 MET C C 20 178.924 178.924 178.626 0.298 18261 12020 1 17 . 1 1 20 20 MET CA C 20 57.480 57.480 57.305 0.175 18261 12021 1 17 . 1 1 20 20 MET CB C 20 31.929 31.929 31.032 0.897 18261 12022 1 17 . 1 1 20 20 MET H H 20 8.865 8.865 8.662 0.203 18261 12023 1 17 . 1 1 21 21 ASN N N 21 118.455 118.455 119.591 -1.136 18261 12024 1 17 . 1 1 21 21 ASN HA H 21 4.542 4.542 4.529 0.013 18261 12025 1 17 . 1 1 21 21 ASN C C 21 178.249 178.249 178.050 0.199 18261 12026 1 17 . 1 1 21 21 ASN CA C 21 56.305 56.305 56.558 -0.253 18261 12027 1 17 . 1 1 21 21 ASN CB C 21 37.916 37.916 38.197 -0.281 18261 12028 1 17 . 1 1 21 21 ASN H H 21 8.453 8.453 8.304 0.149 18261 12029 1 17 . 1 1 22 22 SER N N 22 116.036 116.036 116.830 -0.794 18261 12030 1 17 . 1 1 22 22 SER HA H 22 4.196 4.196 4.452 -0.256 18261 12031 1 17 . 1 1 22 22 SER C C 22 178.143 178.143 176.404 1.739 18261 12032 1 17 . 1 1 22 22 SER CA C 22 62.256 62.256 61.721 0.535 18261 12033 1 17 . 1 1 22 22 SER CB C 22 62.870 62.870 63.196 -0.326 18261 12034 1 17 . 1 1 22 22 SER H H 22 7.959 7.959 8.309 -0.350 18261 12035 1 17 . 1 1 23 23 PHE N N 23 124.987 124.987 124.730 0.257 18261 12036 1 17 . 1 1 23 23 PHE HA H 23 4.005 4.005 4.063 -0.058 18261 12037 1 17 . 1 1 23 23 PHE C C 23 175.652 175.652 176.670 -1.018 18261 12038 1 17 . 1 1 23 23 PHE CA C 23 60.525 60.525 61.323 -0.798 18261 12039 1 17 . 1 1 23 23 PHE CB C 23 38.899 38.899 39.059 -0.160 18261 12040 1 17 . 1 1 23 23 PHE H H 23 9.045 9.045 8.246 0.799 18261 12041 1 17 . 1 1 24 24 MET N N 24 117.260 117.260 116.939 0.321 18261 12042 1 17 . 1 1 24 24 MET HA H 24 4.040 4.040 3.898 0.142 18261 12043 1 17 . 1 1 24 24 MET C C 24 179.797 179.797 178.836 0.961 18261 12044 1 17 . 1 1 24 24 MET CA C 24 56.047 56.047 56.497 -0.450 18261 12045 1 17 . 1 1 24 24 MET CB C 24 30.308 30.308 30.824 -0.516 18261 12046 1 17 . 1 1 24 24 MET H H 24 8.302 8.302 8.363 -0.061 18261 12047 1 17 . 1 1 25 25 GLN N N 25 120.167 120.167 119.576 0.591 18261 12048 1 17 . 1 1 25 25 GLN HA H 25 3.985 3.985 4.039 -0.054 18261 12049 1 17 . 1 1 25 25 GLN C C 25 179.870 179.870 178.914 0.956 18261 12050 1 17 . 1 1 25 25 GLN CA C 25 59.136 59.136 59.114 0.022 18261 12051 1 17 . 1 1 25 25 GLN CB C 25 28.234 28.234 28.533 -0.299 18261 12052 1 17 . 1 1 25 25 GLN H H 25 8.038 8.038 8.031 0.007 18261 12053 1 17 . 1 1 26 26 GLY N N 26 107.636 107.636 107.675 -0.039 18261 12054 1 17 . 1 1 26 26 GLY C C 26 176.387 176.387 176.749 -0.362 18261 12055 1 17 . 1 1 26 26 GLY CA C 26 46.911 46.911 46.305 0.606 18261 12056 1 17 . 1 1 26 26 GLY H H 26 8.095 8.095 8.038 0.057 18261 12057 1 17 . 1 1 27 27 LEU N N 27 122.877 122.877 124.607 -1.730 18261 12058 1 17 . 1 1 27 27 LEU HA H 27 3.783 3.783 4.007 -0.224 18261 12059 1 17 . 1 1 27 27 LEU C C 27 178.564 178.564 178.739 -0.175 18261 12060 1 17 . 1 1 27 27 LEU CA C 27 57.262 57.262 56.910 0.352 18261 12061 1 17 . 1 1 27 27 LEU CB C 27 42.076 42.076 41.137 0.939 18261 12062 1 17 . 1 1 27 27 LEU H H 27 8.369 8.369 8.203 0.166 18261 12063 1 17 . 1 1 28 28 SER N N 28 109.474 109.474 111.969 -2.495 18261 12064 1 17 . 1 1 28 28 SER HA H 28 4.138 4.138 4.299 -0.161 18261 12065 1 17 . 1 1 28 28 SER C C 28 174.421 174.421 175.235 -0.814 18261 12066 1 17 . 1 1 28 28 SER CA C 28 61.153 61.153 60.412 0.741 18261 12067 1 17 . 1 1 28 28 SER CB C 28 63.320 63.320 62.819 0.501 18261 12068 1 17 . 1 1 28 28 SER H H 28 7.527 7.527 8.286 -0.759 18261 12069 1 17 . 1 1 29 29 SER N N 29 114.550 114.550 115.723 -1.173 18261 12070 1 17 . 1 1 29 29 SER HA H 29 4.734 4.734 4.549 0.185 18261 12071 1 17 . 1 1 29 29 SER C C 29 173.970 173.970 174.089 -0.119 18261 12072 1 17 . 1 1 29 29 SER CA C 29 57.927 57.927 58.925 -0.998 18261 12073 1 17 . 1 1 29 29 SER CB C 29 64.500 64.500 63.999 0.501 18261 12074 1 17 . 1 1 29 29 SER H H 29 7.449 7.449 7.533 -0.084 18261 12075 1 17 . 1 1 30 30 MET N N 30 122.420 122.420 122.319 0.101 18261 12076 1 17 . 1 1 30 30 MET HA H 30 4.952 4.952 4.873 0.079 18261 12077 1 17 . 1 1 30 30 MET C C 30 174.195 174.195 174.047 0.148 18261 12078 1 17 . 1 1 30 30 MET CA C 30 53.638 53.638 51.351 2.287 18261 12079 1 17 . 1 1 30 30 MET CB C 30 32.305 32.305 32.286 0.019 18261 12080 1 17 . 1 1 30 30 MET H H 30 7.674 7.674 7.637 0.037 18261 12081 1 17 . 1 1 31 31 PRO HA H 31 4.669 4.669 4.481 0.188 18261 12082 1 17 . 1 1 31 31 PRO CA C 31 62.880 62.880 63.486 -0.606 18261 12083 1 17 . 1 1 31 31 PRO CB C 31 32.742 32.742 31.129 1.613 18261 12084 1 17 . 1 1 32 32 GLY N N 32 106.222 106.222 110.004 -3.782 18261 12085 1 17 . 1 1 32 32 GLY C C 32 172.454 172.454 172.889 -0.435 18261 12086 1 17 . 1 1 32 32 GLY CA C 32 45.608 45.608 45.682 -0.074 18261 12087 1 17 . 1 1 32 32 GLY H H 32 8.415 8.415 8.218 0.197 18261 12088 1 17 . 1 1 33 33 PHE N N 33 116.404 116.404 120.053 -3.649 18261 12089 1 17 . 1 1 33 33 PHE HA H 33 5.167 5.167 4.937 0.230 18261 12090 1 17 . 1 1 33 33 PHE C C 33 176.387 176.387 175.656 0.731 18261 12091 1 17 . 1 1 33 33 PHE CA C 33 56.750 56.750 57.797 -1.047 18261 12092 1 17 . 1 1 33 33 PHE CB C 33 42.080 42.080 40.887 1.193 18261 12093 1 17 . 1 1 33 33 PHE H H 33 7.871 7.871 7.508 0.363 18261 12094 1 17 . 1 1 34 34 THR N N 34 113.684 113.684 116.099 -2.415 18261 12095 1 17 . 1 1 34 34 THR HA H 34 4.545 4.545 4.654 -0.109 18261 12096 1 17 . 1 1 34 34 THR C C 34 175.066 175.066 175.854 -0.788 18261 12097 1 17 . 1 1 34 34 THR CA C 34 60.339 60.339 59.397 0.942 18261 12098 1 17 . 1 1 34 34 THR CB C 34 70.381 70.381 71.218 -0.837 18261 12099 1 17 . 1 1 34 34 THR H H 34 8.899 8.899 8.439 0.460 18261 12100 1 17 . 1 1 35 35 ALA N N 35 122.927 122.927 124.968 -2.041 18261 12101 1 17 . 1 1 35 35 ALA HA H 35 4.092 4.092 4.192 -0.100 18261 12102 1 17 . 1 1 35 35 ALA C C 35 180.755 180.755 179.975 0.780 18261 12103 1 17 . 1 1 35 35 ALA CA C 35 55.827 55.827 55.292 0.535 18261 12104 1 17 . 1 1 35 35 ALA CB C 35 18.098 18.098 18.722 -0.624 18261 12105 1 17 . 1 1 35 35 ALA H H 35 8.864 8.864 8.815 0.049 18261 12106 1 17 . 1 1 36 36 SER N N 36 112.708 112.708 113.622 -0.914 18261 12107 1 17 . 1 1 36 36 SER HA H 36 4.276 4.276 4.151 0.125 18261 12108 1 17 . 1 1 36 36 SER C C 36 177.033 177.033 176.969 0.064 18261 12109 1 17 . 1 1 36 36 SER CA C 36 61.403 61.403 61.838 -0.435 18261 12110 1 17 . 1 1 36 36 SER CB C 36 62.371 62.371 63.001 -0.630 18261 12111 1 17 . 1 1 36 36 SER H H 36 8.389 8.389 8.316 0.073 18261 12112 1 17 . 1 1 37 37 GLN N N 37 121.595 121.595 121.721 -0.126 18261 12113 1 17 . 1 1 37 37 GLN HA H 37 4.272 4.272 4.247 0.025 18261 12114 1 17 . 1 1 37 37 GLN C C 37 179.149 179.149 178.384 0.765 18261 12115 1 17 . 1 1 37 37 GLN CA C 37 58.638 58.638 58.791 -0.153 18261 12116 1 17 . 1 1 37 37 GLN CB C 37 29.123 29.123 29.009 0.114 18261 12117 1 17 . 1 1 37 37 GLN H H 37 7.621 7.621 7.554 0.067 18261 12118 1 17 . 1 1 38 38 LEU N N 38 119.852 119.852 120.818 -0.966 18261 12119 1 17 . 1 1 38 38 LEU HA H 38 3.838 3.838 3.851 -0.013 18261 12120 1 17 . 1 1 38 38 LEU C C 38 179.675 179.675 178.899 0.776 18261 12121 1 17 . 1 1 38 38 LEU CA C 38 57.929 57.929 57.859 0.070 18261 12122 1 17 . 1 1 38 38 LEU CB C 38 40.918 40.918 41.535 -0.617 18261 12123 1 17 . 1 1 38 38 LEU H H 38 8.341 8.341 8.076 0.265 18261 12124 1 17 . 1 1 39 39 ASP N N 39 122.065 122.065 119.850 2.215 18261 12125 1 17 . 1 1 39 39 ASP HA H 39 4.439 4.439 4.223 0.216 18261 12126 1 17 . 1 1 39 39 ASP C C 39 179.224 179.224 178.108 1.116 18261 12127 1 17 . 1 1 39 39 ASP CA C 39 57.710 57.710 58.250 -0.540 18261 12128 1 17 . 1 1 39 39 ASP CB C 39 40.245 40.245 40.880 -0.635 18261 12129 1 17 . 1 1 39 39 ASP H H 39 7.955 7.955 8.510 -0.555 18261 12130 1 17 . 1 1 40 40 ASP N N 40 121.957 121.957 119.910 2.047 18261 12131 1 17 . 1 1 40 40 ASP HA H 40 4.483 4.483 4.357 0.126 18261 12132 1 17 . 1 1 40 40 ASP C C 40 179.600 179.600 178.520 1.080 18261 12133 1 17 . 1 1 40 40 ASP CA C 40 57.745 57.745 57.374 0.371 18261 12134 1 17 . 1 1 40 40 ASP CB C 40 40.190 40.190 41.001 -0.811 18261 12135 1 17 . 1 1 40 40 ASP H H 40 8.022 8.022 7.601 0.421 18261 12136 1 17 . 1 1 41 41 MET N N 41 121.160 121.160 119.814 1.346 18261 12137 1 17 . 1 1 41 41 MET HA H 41 4.204 4.204 4.062 0.142 18261 12138 1 17 . 1 1 41 41 MET C C 41 177.693 177.693 178.176 -0.483 18261 12139 1 17 . 1 1 41 41 MET CA C 41 57.634 57.634 59.246 -1.612 18261 12140 1 17 . 1 1 41 41 MET CB C 41 31.422 31.422 32.772 -1.350 18261 12141 1 17 . 1 1 41 41 MET H H 41 8.668 8.668 8.147 0.521 18261 12142 1 17 . 1 1 42 42 SER N N 42 116.421 116.421 114.706 1.715 18261 12143 1 17 . 1 1 42 42 SER HA H 42 4.304 4.304 4.204 0.100 18261 12144 1 17 . 1 1 42 42 SER C C 42 177.483 177.483 176.827 0.656 18261 12145 1 17 . 1 1 42 42 SER CA C 42 62.075 62.075 61.313 0.762 18261 12146 1 17 . 1 1 42 42 SER CB C 42 62.765 62.765 63.039 -0.274 18261 12147 1 17 . 1 1 42 42 SER H H 42 8.375 8.375 8.418 -0.043 18261 12148 1 17 . 1 1 43 43 THR N N 43 118.797 118.797 119.496 -0.699 18261 12149 1 17 . 1 1 43 43 THR HA H 43 4.042 4.042 3.992 0.050 18261 12150 1 17 . 1 1 43 43 THR C C 43 177.258 177.258 176.841 0.417 18261 12151 1 17 . 1 1 43 43 THR CA C 43 66.584 66.584 66.986 -0.402 18261 12152 1 17 . 1 1 43 43 THR CB C 43 68.490 68.490 68.837 -0.347 18261 12153 1 17 . 1 1 43 43 THR H H 43 7.928 7.928 7.939 -0.011 18261 12154 1 17 . 1 1 44 44 ILE N N 44 122.960 122.960 121.048 1.912 18261 12155 1 17 . 1 1 44 44 ILE HA H 44 3.930 3.930 3.806 0.124 18261 12156 1 17 . 1 1 44 44 ILE C C 44 178.564 178.564 177.776 0.788 18261 12157 1 17 . 1 1 44 44 ILE CA C 44 64.483 64.483 62.903 1.580 18261 12158 1 17 . 1 1 44 44 ILE CB C 44 38.015 38.015 36.385 1.630 18261 12159 1 17 . 1 1 44 44 ILE H H 44 7.863 7.863 8.591 -0.728 18261 12160 1 17 . 1 1 45 45 ALA N N 45 124.792 124.792 123.042 1.750 18261 12161 1 17 . 1 1 45 45 ALA HA H 45 4.122 4.122 4.008 0.114 18261 12162 1 17 . 1 1 45 45 ALA C C 45 179.404 179.404 179.935 -0.531 18261 12163 1 17 . 1 1 45 45 ALA CA C 45 56.009 56.009 55.286 0.723 18261 12164 1 17 . 1 1 45 45 ALA CB C 45 18.908 18.908 18.375 0.533 18261 12165 1 17 . 1 1 45 45 ALA H H 45 8.853 8.853 8.429 0.424 18261 12166 1 17 . 1 1 46 46 GLN N N 46 116.307 116.307 117.608 -1.301 18261 12167 1 17 . 1 1 46 46 GLN HA H 46 4.068 4.068 4.091 -0.023 18261 12168 1 17 . 1 1 46 46 GLN C C 46 179.014 179.014 178.625 0.389 18261 12169 1 17 . 1 1 46 46 GLN CA C 46 58.903 58.903 57.768 1.135 18261 12170 1 17 . 1 1 46 46 GLN CB C 46 28.250 28.250 27.871 0.379 18261 12171 1 17 . 1 1 46 46 GLN H H 46 8.238 8.238 8.284 -0.046 18261 12172 1 17 . 1 1 47 47 SER N N 47 115.959 115.959 116.491 -0.532 18261 12173 1 17 . 1 1 47 47 SER HA H 47 4.261 4.261 4.199 0.062 18261 12174 1 17 . 1 1 47 47 SER C C 47 177.483 177.483 176.714 0.769 18261 12175 1 17 . 1 1 47 47 SER CA C 47 61.526 61.526 61.336 0.190 18261 12176 1 17 . 1 1 47 47 SER CB C 47 62.842 62.842 62.901 -0.059 18261 12177 1 17 . 1 1 47 47 SER H H 47 8.223 8.223 7.918 0.305 18261 12178 1 17 . 1 1 48 48 MET N N 48 121.963 121.963 120.347 1.616 18261 12179 1 17 . 1 1 48 48 MET HA H 48 4.110 4.110 3.984 0.126 18261 12180 1 17 . 1 1 48 48 MET C C 48 177.798 177.798 178.438 -0.640 18261 12181 1 17 . 1 1 48 48 MET CA C 48 57.531 57.531 58.090 -0.559 18261 12182 1 17 . 1 1 48 48 MET CB C 48 31.169 31.169 31.649 -0.480 18261 12183 1 17 . 1 1 48 48 MET H H 48 8.245 8.245 8.079 0.166 18261 12184 1 17 . 1 1 49 49 VAL N N 49 119.045 119.045 119.918 -0.873 18261 12185 1 17 . 1 1 49 49 VAL HA H 49 3.300 3.300 3.566 -0.266 18261 12186 1 17 . 1 1 49 49 VAL C C 49 177.910 177.910 178.311 -0.401 18261 12187 1 17 . 1 1 49 49 VAL CA C 49 67.811 67.811 67.206 0.605 18261 12188 1 17 . 1 1 49 49 VAL CB C 49 31.370 31.370 31.128 0.242 18261 12189 1 17 . 1 1 49 49 VAL H H 49 7.809 7.809 7.924 -0.115 18261 12190 1 17 . 1 1 50 50 GLN N N 50 118.357 118.357 117.926 0.431 18261 12191 1 17 . 1 1 50 50 GLN HA H 50 4.091 4.091 3.962 0.129 18261 12192 1 17 . 1 1 50 50 GLN C C 50 179.449 179.449 178.859 0.590 18261 12193 1 17 . 1 1 50 50 GLN CA C 50 59.056 59.056 58.667 0.389 18261 12194 1 17 . 1 1 50 50 GLN CB C 50 28.020 28.020 27.853 0.167 18261 12195 1 17 . 1 1 50 50 GLN H H 50 8.225 8.225 8.503 -0.278 18261 12196 1 17 . 1 1 51 51 SER N N 51 117.253 117.253 115.033 2.220 18261 12197 1 17 . 1 1 51 51 SER HA H 51 4.235 4.235 4.216 0.019 18261 12198 1 17 . 1 1 51 51 SER C C 51 176.374 176.374 176.869 -0.495 18261 12199 1 17 . 1 1 51 51 SER CA C 51 62.752 62.752 60.904 1.847 18261 12200 1 17 . 1 1 51 51 SER CB C 51 62.963 62.963 62.775 0.188 18261 12201 1 17 . 1 1 51 51 SER H H 51 8.328 8.328 7.648 0.680 18261 12202 1 17 . 1 1 52 52 ILE N N 52 123.114 123.114 122.422 0.692 18261 12203 1 17 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.680 -0.081 18261 12204 1 17 . 1 1 52 52 ILE C C 52 178.684 178.684 177.560 1.124 18261 12205 1 17 . 1 1 52 52 ILE CA C 52 64.736 64.736 64.806 -0.070 18261 12206 1 17 . 1 1 52 52 ILE CB C 52 37.838 37.838 37.544 0.294 18261 12207 1 17 . 1 1 52 52 ILE H H 52 8.147 8.147 7.835 0.312 18261 12208 1 17 . 1 1 53 53 GLN N N 53 120.011 120.011 118.764 1.247 18261 12209 1 17 . 1 1 53 53 GLN HA H 53 3.946 3.946 4.013 -0.067 18261 12210 1 17 . 1 1 53 53 GLN C C 53 179.014 179.014 177.483 1.531 18261 12211 1 17 . 1 1 53 53 GLN CA C 53 59.501 59.501 58.648 0.853 18261 12212 1 17 . 1 1 53 53 GLN CB C 53 27.901 27.901 28.340 -0.439 18261 12213 1 17 . 1 1 53 53 GLN H H 53 8.583 8.583 8.297 0.286 18261 12214 1 17 . 1 1 54 54 SER N N 54 115.479 115.479 113.401 2.078 18261 12215 1 17 . 1 1 54 54 SER HA H 54 4.302 4.302 4.455 -0.153 18261 12216 1 17 . 1 1 54 54 SER C C 54 176.822 176.822 175.895 0.927 18261 12217 1 17 . 1 1 54 54 SER CA C 54 61.492 61.492 59.940 1.552 18261 12218 1 17 . 1 1 54 54 SER CB C 54 62.880 62.880 63.579 -0.699 18261 12219 1 17 . 1 1 54 54 SER H H 54 8.271 8.271 7.799 0.472 18261 12220 1 17 . 1 1 55 55 LEU N N 55 121.519 121.519 124.373 -2.854 18261 12221 1 17 . 1 1 55 55 LEU HA H 55 4.068 4.068 4.004 0.064 18261 12222 1 17 . 1 1 55 55 LEU C C 55 179.434 179.434 176.953 2.481 18261 12223 1 17 . 1 1 55 55 LEU CA C 55 57.793 57.793 57.974 -0.181 18261 12224 1 17 . 1 1 55 55 LEU CB C 55 42.245 42.245 41.734 0.511 18261 12225 1 17 . 1 1 55 55 LEU H H 55 7.974 7.974 7.813 0.161 18261 12226 1 17 . 1 1 56 56 ALA N N 56 121.040 121.040 117.465 3.575 18261 12227 1 17 . 1 1 56 56 ALA HA H 56 4.228 4.228 4.610 -0.382 18261 12228 1 17 . 1 1 56 56 ALA C C 56 180.530 180.530 177.439 3.091 18261 12229 1 17 . 1 1 56 56 ALA CA C 56 54.331 54.331 52.560 1.771 18261 12230 1 17 . 1 1 56 56 ALA CB C 56 18.075 18.075 18.325 -0.250 18261 12231 1 17 . 1 1 56 56 ALA H H 56 8.032 8.032 7.891 0.141 18261 12232 1 17 . 1 1 57 57 ALA N N 57 121.325 121.325 122.074 -0.749 18261 12233 1 17 . 1 1 57 57 ALA HA H 57 4.219 4.219 4.290 -0.071 18261 12234 1 17 . 1 1 57 57 ALA C C 57 179.344 179.344 179.004 0.340 18261 12235 1 17 . 1 1 57 57 ALA CA C 57 54.446 54.446 53.489 0.957 18261 12236 1 17 . 1 1 57 57 ALA CB C 57 18.470 18.470 19.962 -1.492 18261 12237 1 17 . 1 1 57 57 ALA H H 57 8.030 8.030 7.737 0.293 18261 12238 1 17 . 1 1 58 58 GLN N N 58 114.257 114.257 117.059 -2.802 18261 12239 1 17 . 1 1 58 58 GLN HA H 58 4.356 4.356 4.369 -0.013 18261 12240 1 17 . 1 1 58 58 GLN C C 58 176.612 176.612 176.334 0.278 18261 12241 1 17 . 1 1 58 58 GLN CA C 58 55.957 55.957 55.383 0.574 18261 12242 1 17 . 1 1 58 58 GLN CB C 58 29.767 29.767 29.485 0.282 18261 12243 1 17 . 1 1 58 58 GLN H H 58 7.751 7.751 8.419 -0.668 18261 12244 1 17 . 1 1 59 59 GLY N N 59 108.304 108.304 107.832 0.472 18261 12245 1 17 . 1 1 59 59 GLY C C 59 174.856 174.856 174.603 0.253 18261 12246 1 17 . 1 1 59 59 GLY CA C 59 46.197 46.197 45.755 0.442 18261 12247 1 17 . 1 1 59 59 GLY H H 59 7.910 7.910 7.750 0.160 18261 12248 1 17 . 1 1 60 60 ARG N N 60 118.258 118.258 117.452 0.806 18261 12249 1 17 . 1 1 60 60 ARG HA H 60 4.553 4.553 4.467 0.086 18261 12250 1 17 . 1 1 60 60 ARG C C 60 175.847 175.847 176.134 -0.287 18261 12251 1 17 . 1 1 60 60 ARG CA C 60 55.658 55.658 54.678 0.980 18261 12252 1 17 . 1 1 60 60 ARG CB C 60 31.714 31.714 31.287 0.427 18261 12253 1 17 . 1 1 60 60 ARG H H 60 8.108 8.108 8.474 -0.366 18261 12254 1 17 . 1 1 61 61 THR N N 61 115.924 115.924 117.229 -1.305 18261 12255 1 17 . 1 1 61 61 THR HA H 61 4.785 4.785 4.206 0.579 18261 12256 1 17 . 1 1 61 61 THR C C 61 173.654 173.654 174.030 -0.376 18261 12257 1 17 . 1 1 61 61 THR CA C 61 63.140 63.140 63.993 -0.854 18261 12258 1 17 . 1 1 61 61 THR CB C 61 68.602 68.602 68.732 -0.130 18261 12259 1 17 . 1 1 61 61 THR H H 61 7.970 7.970 7.688 0.282 18261 12260 1 17 . 1 1 62 62 SER N N 62 119.666 119.666 122.022 -2.356 18261 12261 1 17 . 1 1 62 62 SER HA H 62 4.902 4.902 4.972 -0.070 18261 12262 1 17 . 1 1 62 62 SER C C 62 173.207 173.207 172.999 0.208 18261 12263 1 17 . 1 1 62 62 SER CA C 62 56.193 56.193 54.204 1.989 18261 12264 1 17 . 1 1 62 62 SER CB C 62 63.781 63.781 64.757 -0.976 18261 12265 1 17 . 1 1 62 62 SER H H 62 7.788 7.788 7.852 -0.064 18261 12266 1 17 . 1 1 63 63 PRO HA H 63 4.313 4.313 4.195 0.118 18261 12267 1 17 . 1 1 63 63 PRO CA C 63 65.746 65.746 65.527 0.219 18261 12268 1 17 . 1 1 63 63 PRO CB C 63 32.147 32.147 31.906 0.241 18261 12269 1 17 . 1 1 64 64 ASN HA H 64 4.550 4.550 4.425 0.125 18261 12270 1 17 . 1 1 64 64 ASN CA C 64 56.202 56.202 56.588 -0.386 18261 12271 1 17 . 1 1 64 64 ASN CB C 64 38.000 38.000 38.135 -0.135 18261 12272 1 17 . 1 1 65 65 LYS N N 65 120.530 120.530 120.966 -0.436 18261 12273 1 17 . 1 1 65 65 LYS HA H 65 4.197 4.197 4.086 0.111 18261 12274 1 17 . 1 1 65 65 LYS C C 65 178.999 178.999 178.974 0.025 18261 12275 1 17 . 1 1 65 65 LYS CA C 65 58.250 58.250 58.952 -0.702 18261 12276 1 17 . 1 1 65 65 LYS CB C 65 32.498 32.498 32.008 0.490 18261 12277 1 17 . 1 1 65 65 LYS H H 65 7.770 7.770 7.720 0.050 18261 12278 1 17 . 1 1 66 66 LEU N N 66 118.804 118.804 119.759 -0.955 18261 12279 1 17 . 1 1 66 66 LEU HA H 66 4.070 4.070 4.250 -0.180 18261 12280 1 17 . 1 1 66 66 LEU C C 66 178.928 178.928 178.916 0.012 18261 12281 1 17 . 1 1 66 66 LEU CA C 66 57.928 57.928 57.526 0.402 18261 12282 1 17 . 1 1 66 66 LEU CB C 66 41.329 41.329 41.300 0.029 18261 12283 1 17 . 1 1 66 66 LEU H H 66 7.932 7.932 7.834 0.098 18261 12284 1 17 . 1 1 67 67 GLN N N 67 119.307 119.307 117.940 1.367 18261 12285 1 17 . 1 1 67 67 GLN HA H 67 4.224 4.224 4.159 0.065 18261 12286 1 17 . 1 1 67 67 GLN C C 67 178.789 178.789 178.282 0.507 18261 12287 1 17 . 1 1 67 67 GLN CA C 67 58.862 58.862 58.363 0.499 18261 12288 1 17 . 1 1 67 67 GLN CB C 67 28.052 28.052 28.971 -0.919 18261 12289 1 17 . 1 1 67 67 GLN H H 67 8.160 8.160 8.088 0.072 18261 12290 1 17 . 1 1 68 68 ALA N N 68 122.124 122.124 121.670 0.454 18261 12291 1 17 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.140 0.050 18261 12292 1 17 . 1 1 68 68 ALA C C 68 180.320 180.320 179.345 0.975 18261 12293 1 17 . 1 1 68 68 ALA CA C 68 55.282 55.282 54.937 0.345 18261 12294 1 17 . 1 1 68 68 ALA CB C 68 18.251 18.251 18.495 -0.244 18261 12295 1 17 . 1 1 68 68 ALA H H 68 7.844 7.844 7.780 0.064 18261 12296 1 17 . 1 1 69 69 LEU N N 69 119.481 119.481 115.451 4.030 18261 12297 1 17 . 1 1 69 69 LEU HA H 69 3.912 3.912 4.159 -0.247 18261 12298 1 17 . 1 1 69 69 LEU C C 69 178.864 178.864 177.268 1.596 18261 12299 1 17 . 1 1 69 69 LEU CA C 69 57.904 57.904 55.195 2.709 18261 12300 1 17 . 1 1 69 69 LEU CB C 69 41.052 41.052 40.097 0.955 18261 12301 1 17 . 1 1 69 69 LEU H H 69 7.819 7.819 8.125 -0.306 18261 12302 1 17 . 1 1 70 70 ASN N N 70 119.633 119.633 120.023 -0.390 18261 12303 1 17 . 1 1 70 70 ASN HA H 70 4.553 4.553 4.943 -0.390 18261 12304 1 17 . 1 1 70 70 ASN C C 70 177.483 177.483 177.323 0.160 18261 12305 1 17 . 1 1 70 70 ASN CA C 70 57.125 57.125 55.935 1.190 18261 12306 1 17 . 1 1 70 70 ASN CB C 70 38.392 38.392 39.821 -1.429 18261 12307 1 17 . 1 1 70 70 ASN H H 70 8.265 8.265 7.946 0.319 18261 12308 1 17 . 1 1 71 71 MET N N 71 118.024 118.024 121.386 -3.362 18261 12309 1 17 . 1 1 71 71 MET HA H 71 4.201 4.201 4.179 0.022 18261 12310 1 17 . 1 1 71 71 MET C C 71 178.279 178.279 178.718 -0.439 18261 12311 1 17 . 1 1 71 71 MET CA C 71 59.445 59.445 60.216 -0.771 18261 12312 1 17 . 1 1 71 71 MET CB C 71 32.313 32.313 32.784 -0.471 18261 12313 1 17 . 1 1 71 71 MET H H 71 8.098 8.098 8.023 0.075 18261 12314 1 17 . 1 1 72 72 ARG N N 72 121.985 121.985 118.409 3.576 18261 12315 1 17 . 1 1 72 72 ARG HA H 72 3.981 3.981 4.210 -0.229 18261 12316 1 17 . 1 1 72 72 ARG C C 72 179.059 179.059 178.702 0.357 18261 12317 1 17 . 1 1 72 72 ARG CA C 72 59.058 59.058 58.133 0.925 18261 12318 1 17 . 1 1 72 72 ARG CB C 72 30.120 30.120 29.470 0.650 18261 12319 1 17 . 1 1 72 72 ARG H H 72 8.292 8.292 7.735 0.557 18261 12320 1 17 . 1 1 73 73 PHE N N 73 122.085 122.085 120.617 1.468 18261 12321 1 17 . 1 1 73 73 PHE HA H 73 4.529 4.529 4.168 0.361 18261 12322 1 17 . 1 1 73 73 PHE C C 73 177.258 177.258 176.470 0.788 18261 12323 1 17 . 1 1 73 73 PHE CA C 73 59.248 59.248 60.974 -1.726 18261 12324 1 17 . 1 1 73 73 PHE CB C 73 39.527 39.527 38.592 0.935 18261 12325 1 17 . 1 1 73 73 PHE H H 73 8.703 8.703 7.980 0.723 18261 12326 1 17 . 1 1 74 74 ALA N N 74 119.273 119.273 120.863 -1.590 18261 12327 1 17 . 1 1 74 74 ALA HA H 74 3.764 3.764 3.727 0.037 18261 12328 1 17 . 1 1 74 74 ALA C C 74 179.374 179.374 179.535 -0.161 18261 12329 1 17 . 1 1 74 74 ALA CA C 74 55.324 55.324 55.061 0.263 18261 12330 1 17 . 1 1 74 74 ALA CB C 74 20.509 20.509 18.564 1.944 18261 12331 1 17 . 1 1 74 74 ALA H H 74 8.598 8.598 7.952 0.646 18261 12332 1 17 . 1 1 75 75 SER N N 75 113.611 113.611 113.993 -0.382 18261 12333 1 17 . 1 1 75 75 SER HA H 75 3.636 3.636 4.309 -0.673 18261 12334 1 17 . 1 1 75 75 SER CA C 75 61.936 61.936 61.826 0.110 18261 12335 1 17 . 1 1 75 75 SER CB C 75 61.869 61.869 62.587 -0.718 18261 12336 1 17 . 1 1 75 75 SER H H 75 8.780 8.780 8.271 0.509 18261 12337 1 17 . 1 1 76 76 SER N N 76 119.013 119.013 119.963 -0.950 18261 12338 1 17 . 1 1 76 76 SER HA H 76 4.310 4.310 4.247 0.062 18261 12339 1 17 . 1 1 76 76 SER CA C 76 62.536 62.536 61.756 0.780 18261 12340 1 17 . 1 1 76 76 SER CB C 76 62.943 62.943 63.055 -0.112 18261 12341 1 17 . 1 1 76 76 SER H H 76 8.210 8.210 8.085 0.125 18261 12342 1 17 . 1 1 77 77 MET N N 77 120.105 120.105 120.678 -0.573 18261 12343 1 17 . 1 1 77 77 MET HA H 77 4.027 4.027 4.017 0.010 18261 12344 1 17 . 1 1 77 77 MET C C 77 178.354 178.354 177.961 0.393 18261 12345 1 17 . 1 1 77 77 MET CA C 77 59.954 59.954 59.297 0.657 18261 12346 1 17 . 1 1 77 77 MET CB C 77 34.616 34.616 32.298 2.318 18261 12347 1 17 . 1 1 77 77 MET H H 77 8.005 8.005 7.512 0.493 18261 12348 1 17 . 1 1 78 78 ALA N N 78 121.530 121.530 122.952 -1.422 18261 12349 1 17 . 1 1 78 78 ALA HA H 78 3.933 3.933 4.064 -0.131 18261 12350 1 17 . 1 1 78 78 ALA C C 78 178.354 178.354 179.710 -1.356 18261 12351 1 17 . 1 1 78 78 ALA CA C 78 55.427 55.427 55.394 0.033 18261 12352 1 17 . 1 1 78 78 ALA CB C 78 20.344 20.344 17.923 2.421 18261 12353 1 17 . 1 1 78 78 ALA H H 78 8.550 8.550 7.976 0.574 18261 12354 1 17 . 1 1 79 79 GLU N N 79 117.137 117.137 117.590 -0.453 18261 12355 1 17 . 1 1 79 79 GLU HA H 79 3.919 3.919 4.083 -0.164 18261 12356 1 17 . 1 1 79 79 GLU C C 79 178.894 178.894 178.450 0.444 18261 12357 1 17 . 1 1 79 79 GLU CA C 79 59.445 59.445 58.855 0.590 18261 12358 1 17 . 1 1 79 79 GLU CB C 79 29.895 29.895 29.665 0.230 18261 12359 1 17 . 1 1 79 79 GLU H H 79 7.737 7.737 8.160 -0.423 18261 12360 1 17 . 1 1 80 80 ILE N N 80 118.063 118.063 118.808 -0.745 18261 12361 1 17 . 1 1 80 80 ILE HA H 80 3.932 3.932 3.942 -0.010 18261 12362 1 17 . 1 1 80 80 ILE C C 80 179.014 179.014 178.199 0.815 18261 12363 1 17 . 1 1 80 80 ILE CA C 80 63.727 63.727 64.406 -0.679 18261 12364 1 17 . 1 1 80 80 ILE CB C 80 38.208 38.208 38.258 -0.050 18261 12365 1 17 . 1 1 80 80 ILE H H 80 7.239 7.239 7.370 -0.131 18261 12366 1 17 . 1 1 81 81 ALA N N 81 121.494 121.494 122.386 -0.892 18261 12367 1 17 . 1 1 81 81 ALA HA H 81 3.961 3.961 4.417 -0.456 18261 12368 1 17 . 1 1 81 81 ALA C C 81 177.258 177.258 179.320 -2.062 18261 12369 1 17 . 1 1 81 81 ALA CA C 81 54.668 54.668 54.464 0.204 18261 12370 1 17 . 1 1 81 81 ALA CB C 81 17.887 17.887 18.457 -0.571 18261 12371 1 17 . 1 1 81 81 ALA H H 81 8.495 8.495 8.427 0.068 18261 12372 1 17 . 1 1 82 82 ALA N N 82 116.416 116.416 120.781 -4.365 18261 12373 1 17 . 1 1 82 82 ALA HA H 82 4.316 4.316 4.232 0.084 18261 12374 1 17 . 1 1 82 82 ALA C C 82 177.693 177.693 177.869 -0.176 18261 12375 1 17 . 1 1 82 82 ALA CA C 82 52.630 52.630 53.280 -0.650 18261 12376 1 17 . 1 1 82 82 ALA CB C 82 19.224 19.224 18.825 0.399 18261 12377 1 17 . 1 1 82 82 ALA H H 82 8.034 8.034 8.071 -0.037 18261 12378 1 17 . 1 1 83 83 SER N N 83 112.672 112.672 114.005 -1.333 18261 12379 1 17 . 1 1 83 83 SER HA H 83 4.299 4.299 4.375 -0.076 18261 12380 1 17 . 1 1 83 83 SER C C 83 174.856 174.856 174.824 0.032 18261 12381 1 17 . 1 1 83 83 SER CA C 83 59.329 59.329 57.379 1.950 18261 12382 1 17 . 1 1 83 83 SER CB C 83 63.943 63.943 62.599 1.344 18261 12383 1 17 . 1 1 83 83 SER H H 83 7.437 7.437 7.616 -0.179 18261 12384 1 17 . 1 1 84 84 GLU N N 84 122.890 122.890 126.082 -3.192 18261 12385 1 17 . 1 1 84 84 GLU HA H 84 4.420 4.420 4.095 0.325 18261 12386 1 17 . 1 1 84 84 GLU C C 84 176.597 176.597 177.953 -1.356 18261 12387 1 17 . 1 1 84 84 GLU CA C 84 56.586 56.586 57.266 -0.680 18261 12388 1 17 . 1 1 84 84 GLU CB C 84 30.648 30.648 29.505 1.143 18261 12389 1 17 . 1 1 84 84 GLU H H 84 8.245 8.245 8.104 0.141 18261 12390 1 17 . 1 1 85 85 GLU N N 85 122.062 122.062 121.167 0.895 18261 12391 1 17 . 1 1 85 85 GLU HA H 85 4.285 4.285 4.124 0.161 18261 12392 1 17 . 1 1 85 85 GLU C C 85 177.258 177.258 177.517 -0.259 18261 12393 1 17 . 1 1 85 85 GLU CA C 85 57.128 57.128 58.479 -1.351 18261 12394 1 17 . 1 1 85 85 GLU CB C 85 30.121 30.121 29.558 0.563 18261 12395 1 17 . 1 1 85 85 GLU H H 85 8.477 8.477 8.426 0.051 18261 12396 1 17 . 1 1 86 86 GLY N N 86 110.431 110.431 106.977 3.454 18261 12397 1 17 . 1 1 86 86 GLY C C 86 174.856 174.856 173.111 1.745 18261 12398 1 17 . 1 1 86 86 GLY CA C 86 45.654 45.654 44.229 1.425 18261 12399 1 17 . 1 1 86 86 GLY H H 86 8.563 8.563 7.801 0.762 18261 12400 1 17 . 1 1 87 87 GLY N N 87 108.508 108.508 109.009 -0.501 18261 12401 1 17 . 1 1 87 87 GLY C C 87 174.436 174.436 173.613 0.823 18261 12402 1 17 . 1 1 87 87 GLY CA C 87 45.396 45.396 45.727 -0.331 18261 12403 1 17 . 1 1 87 87 GLY H H 87 8.274 8.274 7.470 0.804 18261 12404 1 17 . 1 1 88 88 GLY N N 88 107.821 107.821 108.754 -0.933 18261 12405 1 17 . 1 1 88 88 GLY C C 88 173.325 173.325 173.984 -0.659 18261 12406 1 17 . 1 1 88 88 GLY CA C 88 44.814 44.814 45.126 -0.312 18261 12407 1 17 . 1 1 88 88 GLY H H 88 8.105 8.105 8.081 0.024 18261 12408 1 17 . 1 1 89 89 SER N N 89 115.747 115.747 114.058 1.689 18261 12409 1 17 . 1 1 89 89 SER HA H 89 4.582 4.582 4.623 -0.041 18261 12410 1 17 . 1 1 89 89 SER C C 89 175.066 175.066 173.503 1.563 18261 12411 1 17 . 1 1 89 89 SER CA C 89 57.256 57.256 58.199 -0.943 18261 12412 1 17 . 1 1 89 89 SER CB C 89 65.130 65.130 63.493 1.637 18261 12413 1 17 . 1 1 89 89 SER H H 89 8.476 8.476 7.858 0.618 18261 12414 1 17 . 1 1 90 90 LEU N N 90 124.735 124.735 124.644 0.091 18261 12415 1 17 . 1 1 90 90 LEU HA H 90 4.106 4.106 3.960 0.146 18261 12416 1 17 . 1 1 90 90 LEU C C 90 179.434 179.434 177.317 2.117 18261 12417 1 17 . 1 1 90 90 LEU CA C 90 58.434 58.434 57.781 0.653 18261 12418 1 17 . 1 1 90 90 LEU CB C 90 41.377 41.377 41.661 -0.284 18261 12419 1 17 . 1 1 90 90 LEU H H 90 8.860 8.860 8.588 0.272 18261 12420 1 17 . 1 1 91 91 SER N N 91 113.851 113.851 114.237 -0.386 18261 12421 1 17 . 1 1 91 91 SER C C 91 177.325 177.325 176.367 0.958 18261 12422 1 17 . 1 1 91 91 SER CA C 91 61.261 61.261 62.137 -0.876 18261 12423 1 17 . 1 1 91 91 SER CB C 91 62.010 62.010 62.596 -0.586 18261 12424 1 17 . 1 1 91 91 SER H H 91 8.537 8.537 8.697 -0.160 18261 12425 1 17 . 1 1 92 92 THR N N 92 120.889 120.889 118.559 2.330 18261 12426 1 17 . 1 1 92 92 THR HA H 92 3.993 3.993 4.046 -0.053 18261 12427 1 17 . 1 1 92 92 THR C C 92 176.162 176.162 176.499 -0.337 18261 12428 1 17 . 1 1 92 92 THR CA C 92 66.467 66.467 66.094 0.373 18261 12429 1 17 . 1 1 92 92 THR CB C 92 68.285 68.285 68.787 -0.502 18261 12430 1 17 . 1 1 92 92 THR H H 92 7.795 7.795 7.754 0.041 18261 12431 1 17 . 1 1 93 93 LYS N N 93 120.210 120.210 121.761 -1.551 18261 12432 1 17 . 1 1 93 93 LYS HA H 93 3.798 3.798 3.665 0.133 18261 12433 1 17 . 1 1 93 93 LYS CA C 93 61.044 61.044 60.223 0.821 18261 12434 1 17 . 1 1 93 93 LYS CB C 93 33.470 33.470 31.629 1.841 18261 12435 1 17 . 1 1 93 93 LYS H H 93 8.098 8.098 8.010 0.088 18261 12436 1 17 . 1 1 94 94 THR N N 94 111.485 111.485 112.911 -1.426 18261 12437 1 17 . 1 1 94 94 THR HA H 94 3.936 3.936 4.212 -0.276 18261 12438 1 17 . 1 1 94 94 THR C C 94 177.033 177.033 176.788 0.245 18261 12439 1 17 . 1 1 94 94 THR CA C 94 66.974 66.974 65.787 1.187 18261 12440 1 17 . 1 1 94 94 THR CB C 94 68.013 68.013 68.631 -0.618 18261 12441 1 17 . 1 1 94 94 THR H H 94 8.891 8.891 8.424 0.467 18261 12442 1 17 . 1 1 95 95 SER N N 95 118.938 118.938 116.817 2.121 18261 12443 1 17 . 1 1 95 95 SER HA H 95 4.394 4.394 4.360 0.034 18261 12444 1 17 . 1 1 95 95 SER C C 95 177.828 177.828 175.954 1.874 18261 12445 1 17 . 1 1 95 95 SER CA C 95 61.990 61.990 61.303 0.687 18261 12446 1 17 . 1 1 95 95 SER CB C 95 62.580 62.580 63.166 -0.586 18261 12447 1 17 . 1 1 95 95 SER H H 95 8.118 8.118 7.707 0.411 18261 12448 1 17 . 1 1 96 96 SER N N 96 121.520 121.520 119.435 2.085 18261 12449 1 17 . 1 1 96 96 SER HA H 96 4.457 4.457 4.218 0.239 18261 12450 1 17 . 1 1 96 96 SER CA C 96 62.695 62.695 61.577 1.118 18261 12451 1 17 . 1 1 96 96 SER CB C 96 62.796 62.796 62.971 -0.174 18261 12452 1 17 . 1 1 96 96 SER H H 96 8.603 8.603 7.863 0.740 18261 12453 1 17 . 1 1 97 97 ILE N N 97 122.420 122.420 122.158 0.262 18261 12454 1 17 . 1 1 97 97 ILE HA H 97 3.792 3.792 3.714 0.078 18261 12455 1 17 . 1 1 97 97 ILE C C 97 177.693 177.693 177.789 -0.096 18261 12456 1 17 . 1 1 97 97 ILE CA C 97 66.722 66.722 65.407 1.315 18261 12457 1 17 . 1 1 97 97 ILE CB C 97 38.645 38.645 37.816 0.830 18261 12458 1 17 . 1 1 97 97 ILE H H 97 8.516 8.516 7.722 0.794 18261 12459 1 17 . 1 1 98 98 ALA N N 98 122.031 122.031 121.450 0.581 18261 12460 1 17 . 1 1 98 98 ALA HA H 98 4.063 4.063 4.179 -0.116 18261 12461 1 17 . 1 1 98 98 ALA C C 98 180.740 180.740 179.538 1.202 18261 12462 1 17 . 1 1 98 98 ALA CA C 98 56.158 56.158 55.322 0.836 18261 12463 1 17 . 1 1 98 98 ALA CB C 98 18.347 18.347 18.094 0.253 18261 12464 1 17 . 1 1 98 98 ALA H H 98 8.437 8.437 8.167 0.270 18261 12465 1 17 . 1 1 99 99 SER N N 99 115.676 115.676 115.753 -0.077 18261 12466 1 17 . 1 1 99 99 SER HA H 99 4.369 4.369 4.235 0.134 18261 12467 1 17 . 1 1 99 99 SER C C 99 177.168 177.168 176.649 0.519 18261 12468 1 17 . 1 1 99 99 SER CA C 99 61.959 61.959 62.294 -0.335 18261 12469 1 17 . 1 1 99 99 SER CB C 99 63.160 63.160 62.910 0.251 18261 12470 1 17 . 1 1 99 99 SER H H 99 8.611 8.611 7.572 1.039 18261 12471 1 17 . 1 1 100 100 ALA N N 100 124.275 124.275 124.665 -0.390 18261 12472 1 17 . 1 1 100 100 ALA HA H 100 4.243 4.243 3.954 0.289 18261 12473 1 17 . 1 1 100 100 ALA C C 100 181.851 181.851 179.290 2.561 18261 12474 1 17 . 1 1 100 100 ALA CA C 100 55.321 55.321 54.911 0.410 18261 12475 1 17 . 1 1 100 100 ALA CB C 100 18.479 18.479 18.116 0.362 18261 12476 1 17 . 1 1 100 100 ALA H H 100 8.973 8.973 8.372 0.601 18261 12477 1 17 . 1 1 101 101 MET N N 101 118.986 118.986 118.826 0.160 18261 12478 1 17 . 1 1 101 101 MET HA H 101 4.063 4.063 4.193 -0.130 18261 12479 1 17 . 1 1 101 101 MET C C 101 177.483 177.483 178.786 -1.303 18261 12480 1 17 . 1 1 101 101 MET CA C 101 60.999 60.999 60.211 0.788 18261 12481 1 17 . 1 1 101 101 MET CB C 101 34.583 34.583 32.965 1.618 18261 12482 1 17 . 1 1 101 101 MET H H 101 9.072 9.072 8.748 0.324 18261 12483 1 17 . 1 1 102 102 SER N N 102 116.650 116.650 114.997 1.653 18261 12484 1 17 . 1 1 102 102 SER HA H 102 4.370 4.370 4.156 0.214 18261 12485 1 17 . 1 1 102 102 SER C C 102 176.357 176.357 176.752 -0.395 18261 12486 1 17 . 1 1 102 102 SER CA C 102 63.278 63.278 62.409 0.869 18261 12487 1 17 . 1 1 102 102 SER CB C 102 62.523 62.523 63.234 -0.712 18261 12488 1 17 . 1 1 102 102 SER H H 102 8.673 8.673 8.551 0.122 18261 12489 1 17 . 1 1 103 103 ASN N N 103 118.060 118.060 119.801 -1.741 18261 12490 1 17 . 1 1 103 103 ASN HA H 103 4.477 4.477 4.528 -0.051 18261 12491 1 17 . 1 1 103 103 ASN C C 103 176.603 176.603 177.464 -0.861 18261 12492 1 17 . 1 1 103 103 ASN CA C 103 56.564 56.564 55.837 0.727 18261 12493 1 17 . 1 1 103 103 ASN CB C 103 38.362 38.362 38.415 -0.053 18261 12494 1 17 . 1 1 103 103 ASN H H 103 8.098 8.098 8.138 -0.040 18261 12495 1 17 . 1 1 104 104 ALA N N 104 122.235 122.235 122.130 0.105 18261 12496 1 17 . 1 1 104 104 ALA HA H 104 4.255 4.255 4.035 0.220 18261 12497 1 17 . 1 1 104 104 ALA C C 104 181.701 181.701 179.488 2.213 18261 12498 1 17 . 1 1 104 104 ALA CA C 104 54.815 54.815 55.050 -0.235 18261 12499 1 17 . 1 1 104 104 ALA CB C 104 18.177 18.177 18.306 -0.129 18261 12500 1 17 . 1 1 104 104 ALA H H 104 7.919 7.919 8.320 -0.401 18261 12501 1 17 . 1 1 105 105 PHE N N 105 119.159 119.159 120.678 -1.519 18261 12502 1 17 . 1 1 105 105 PHE HA H 105 4.401 4.401 4.626 -0.225 18261 12503 1 17 . 1 1 105 105 PHE C C 105 179.224 179.224 178.000 1.224 18261 12504 1 17 . 1 1 105 105 PHE CA C 105 63.744 63.744 61.753 1.991 18261 12505 1 17 . 1 1 105 105 PHE CB C 105 39.417 39.417 39.774 -0.357 18261 12506 1 17 . 1 1 105 105 PHE H H 105 8.615 8.615 8.707 -0.092 18261 12507 1 17 . 1 1 106 106 LEU N N 106 121.765 121.765 119.615 2.150 18261 12508 1 17 . 1 1 106 106 LEU HA H 106 3.741 3.741 4.170 -0.429 18261 12509 1 17 . 1 1 106 106 LEU C C 106 179.074 179.074 178.925 0.149 18261 12510 1 17 . 1 1 106 106 LEU CA C 106 59.086 59.086 57.715 1.371 18261 12511 1 17 . 1 1 106 106 LEU CB C 106 41.265 41.265 41.826 -0.561 18261 12512 1 17 . 1 1 106 106 LEU H H 106 8.259 8.259 7.941 0.318 18261 12513 1 17 . 1 1 107 107 GLN N N 107 114.755 114.755 114.761 -0.006 18261 12514 1 17 . 1 1 107 107 GLN HA H 107 4.189 4.189 4.305 -0.116 18261 12515 1 17 . 1 1 107 107 GLN C C 107 176.822 176.822 177.052 -0.230 18261 12516 1 17 . 1 1 107 107 GLN CA C 107 57.461 57.461 57.415 0.046 18261 12517 1 17 . 1 1 107 107 GLN CB C 107 29.393 29.393 28.125 1.268 18261 12518 1 17 . 1 1 107 107 GLN H H 107 8.176 8.176 7.934 0.242 18261 12519 1 17 . 1 1 108 108 THR N N 108 108.074 108.074 111.453 -3.379 18261 12520 1 17 . 1 1 108 108 THR HA H 108 4.517 4.517 4.447 0.070 18261 12521 1 17 . 1 1 108 108 THR C C 108 175.952 175.952 175.826 0.126 18261 12522 1 17 . 1 1 108 108 THR CA C 108 62.526 62.526 63.571 -1.045 18261 12523 1 17 . 1 1 108 108 THR CB C 108 70.320 70.320 69.881 0.439 18261 12524 1 17 . 1 1 108 108 THR H H 108 7.740 7.740 7.500 0.240 18261 12525 1 17 . 1 1 109 109 THR N N 109 113.029 113.029 113.280 -0.251 18261 12526 1 17 . 1 1 109 109 THR HA H 109 4.620 4.620 4.280 0.340 18261 12527 1 17 . 1 1 109 109 THR C C 109 176.162 176.162 175.673 0.489 18261 12528 1 17 . 1 1 109 109 THR CA C 109 62.255 62.255 62.464 -0.208 18261 12529 1 17 . 1 1 109 109 THR CB C 109 70.768 70.768 69.527 1.241 18261 12530 1 17 . 1 1 109 109 THR H H 109 8.869 8.869 7.947 0.922 18261 12531 1 17 . 1 1 110 110 GLY N N 110 109.433 109.433 108.591 0.842 18261 12532 1 17 . 1 1 110 110 GLY C C 110 172.889 172.889 174.089 -1.200 18261 12533 1 17 . 1 1 110 110 GLY CA C 110 45.555 45.555 44.956 0.599 18261 12534 1 17 . 1 1 110 110 GLY H H 110 8.298 8.298 8.203 0.095 18261 12535 1 17 . 1 1 111 111 VAL N N 111 119.167 119.167 119.265 -0.098 18261 12536 1 17 . 1 1 111 111 VAL HA H 111 4.266 4.266 4.501 -0.235 18261 12537 1 17 . 1 1 111 111 VAL C C 111 174.421 174.421 174.637 -0.216 18261 12538 1 17 . 1 1 111 111 VAL CA C 111 60.783 60.783 60.307 0.476 18261 12539 1 17 . 1 1 111 111 VAL CB C 111 35.394 35.394 35.331 0.063 18261 12540 1 17 . 1 1 111 111 VAL H H 111 7.786 7.786 7.821 -0.035 18261 12541 1 17 . 1 1 112 112 VAL N N 112 124.920 124.920 121.428 3.492 18261 12542 1 17 . 1 1 112 112 VAL HA H 112 3.251 3.251 4.494 -1.243 18261 12543 1 17 . 1 1 112 112 VAL C C 112 174.646 174.646 174.439 0.207 18261 12544 1 17 . 1 1 112 112 VAL CA C 112 64.409 64.409 60.608 3.801 18261 12545 1 17 . 1 1 112 112 VAL CB C 112 32.626 32.626 34.321 -1.695 18261 12546 1 17 . 1 1 112 112 VAL H H 112 8.721 8.721 8.290 0.431 18261 12547 1 17 . 1 1 113 113 ASN HA H 113 4.505 4.505 4.766 -0.261 18261 12548 1 17 . 1 1 113 113 ASN CA C 113 50.080 50.080 51.515 -1.435 18261 12549 1 17 . 1 1 113 113 ASN CB C 113 36.910 36.910 38.072 -1.162 18261 12550 1 17 . 1 1 114 114 GLN N N 114 123.939 123.939 127.961 -4.022 18261 12551 1 17 . 1 1 114 114 GLN HA H 114 3.944 3.944 4.324 -0.380 18261 12552 1 17 . 1 1 114 114 GLN C C 114 174.811 174.811 174.826 -0.015 18261 12553 1 17 . 1 1 114 114 GLN CA C 114 59.348 59.348 59.845 -0.497 18261 12554 1 17 . 1 1 114 114 GLN CB C 114 26.505 26.505 27.012 -0.507 18261 12555 1 17 . 1 1 114 114 GLN H H 114 8.368 8.368 8.590 -0.222 18261 12556 1 17 . 1 1 115 115 PRO HA H 115 4.243 4.243 4.080 0.163 18261 12557 1 17 . 1 1 115 115 PRO CA C 115 66.602 66.602 66.014 0.588 18261 12558 1 17 . 1 1 115 115 PRO CB C 115 31.215 31.215 31.239 -0.024 18261 12559 1 17 . 1 1 116 116 PHE N N 116 117.612 117.612 116.951 0.661 18261 12560 1 17 . 1 1 116 116 PHE HA H 116 4.209 4.209 4.314 -0.105 18261 12561 1 17 . 1 1 116 116 PHE C C 116 176.597 176.597 177.883 -1.286 18261 12562 1 17 . 1 1 116 116 PHE CA C 116 61.261 61.261 61.114 0.147 18261 12563 1 17 . 1 1 116 116 PHE CB C 116 39.506 39.506 39.164 0.342 18261 12564 1 17 . 1 1 116 116 PHE H H 116 7.249 7.249 8.288 -1.039 18261 12565 1 17 . 1 1 117 117 ILE N N 117 119.233 119.233 119.934 -0.701 18261 12566 1 17 . 1 1 117 117 ILE HA H 117 3.537 3.537 3.632 -0.095 18261 12567 1 17 . 1 1 117 117 ILE C C 117 178.789 178.789 177.652 1.137 18261 12568 1 17 . 1 1 117 117 ILE CA C 117 65.677 65.677 65.114 0.563 18261 12569 1 17 . 1 1 117 117 ILE CB C 117 38.125 38.125 37.717 0.409 18261 12570 1 17 . 1 1 117 117 ILE H H 117 7.652 7.652 7.315 0.337 18261 12571 1 17 . 1 1 118 118 ASN N N 118 119.875 119.875 118.958 0.917 18261 12572 1 17 . 1 1 118 118 ASN HA H 118 4.304 4.304 4.521 -0.217 18261 12573 1 17 . 1 1 118 118 ASN C C 118 177.033 177.033 178.279 -1.246 18261 12574 1 17 . 1 1 118 118 ASN CA C 118 55.716 55.716 55.876 -0.160 18261 12575 1 17 . 1 1 118 118 ASN CB C 118 37.423 37.423 37.828 -0.405 18261 12576 1 17 . 1 1 118 118 ASN H H 118 8.975 8.975 8.609 0.366 18261 12577 1 17 . 1 1 119 119 GLU N N 119 121.029 121.029 120.583 0.446 18261 12578 1 17 . 1 1 119 119 GLU HA H 119 4.026 4.026 4.039 -0.013 18261 12579 1 17 . 1 1 119 119 GLU C C 119 178.564 178.564 178.877 -0.313 18261 12580 1 17 . 1 1 119 119 GLU CA C 119 59.426 59.426 59.112 0.314 18261 12581 1 17 . 1 1 119 119 GLU CB C 119 29.646 29.646 29.599 0.047 18261 12582 1 17 . 1 1 119 119 GLU H H 119 8.120 8.120 7.731 0.389 18261 12583 1 17 . 1 1 120 120 ILE N N 120 117.654 117.654 120.073 -2.419 18261 12584 1 17 . 1 1 120 120 ILE HA H 120 3.734 3.734 3.772 -0.038 18261 12585 1 17 . 1 1 120 120 ILE C C 120 178.279 178.279 177.940 0.339 18261 12586 1 17 . 1 1 120 120 ILE CA C 120 62.756 62.756 64.730 -1.974 18261 12587 1 17 . 1 1 120 120 ILE CB C 120 35.645 35.645 37.878 -2.233 18261 12588 1 17 . 1 1 120 120 ILE H H 120 8.077 8.077 7.709 0.368 18261 12589 1 17 . 1 1 121 121 THR N N 121 112.585 112.585 114.629 -2.044 18261 12590 1 17 . 1 1 121 121 THR HA H 121 3.753 3.753 3.911 -0.158 18261 12591 1 17 . 1 1 121 121 THR C C 121 177.258 177.258 176.872 0.386 18261 12592 1 17 . 1 1 121 121 THR CA C 121 67.090 67.090 66.800 0.290 18261 12593 1 17 . 1 1 121 121 THR CB C 121 68.254 68.254 67.902 0.352 18261 12594 1 17 . 1 1 121 121 THR H H 121 8.640 8.640 8.591 0.049 18261 12595 1 17 . 1 1 122 122 GLN N N 122 123.063 123.063 120.523 2.540 18261 12596 1 17 . 1 1 122 122 GLN HA H 122 4.091 4.091 4.029 0.062 18261 12597 1 17 . 1 1 122 122 GLN C C 122 179.014 179.014 178.617 0.397 18261 12598 1 17 . 1 1 122 122 GLN CA C 122 59.192 59.192 58.550 0.642 18261 12599 1 17 . 1 1 122 122 GLN CB C 122 28.020 28.020 27.785 0.235 18261 12600 1 17 . 1 1 122 122 GLN H H 122 8.111 8.111 7.750 0.361 18261 12601 1 17 . 1 1 123 123 LEU N N 123 120.494 120.494 119.758 0.736 18261 12602 1 17 . 1 1 123 123 LEU HA H 123 3.841 3.841 3.760 0.081 18261 12603 1 17 . 1 1 123 123 LEU C C 123 178.354 178.354 178.814 -0.460 18261 12604 1 17 . 1 1 123 123 LEU CA C 123 58.005 58.005 57.368 0.637 18261 12605 1 17 . 1 1 123 123 LEU CB C 123 42.580 42.580 41.743 0.837 18261 12606 1 17 . 1 1 123 123 LEU H H 123 8.131 8.131 7.474 0.657 18261 12607 1 17 . 1 1 124 124 VAL N N 124 118.543 118.543 121.812 -3.269 18261 12608 1 17 . 1 1 124 124 VAL HA H 124 3.560 3.560 3.588 -0.028 18261 12609 1 17 . 1 1 124 124 VAL C C 124 177.453 177.453 178.458 -1.005 18261 12610 1 17 . 1 1 124 124 VAL CA C 124 67.297 67.297 67.041 0.256 18261 12611 1 17 . 1 1 124 124 VAL CB C 124 31.526 31.526 31.483 0.043 18261 12612 1 17 . 1 1 124 124 VAL H H 124 8.732 8.732 8.752 -0.020 18261 12613 1 17 . 1 1 125 125 SER N N 125 112.449 112.449 112.931 -0.482 18261 12614 1 17 . 1 1 125 125 SER HA H 125 4.044 4.044 4.235 -0.191 18261 12615 1 17 . 1 1 125 125 SER C C 125 175.937 175.937 176.153 -0.216 18261 12616 1 17 . 1 1 125 125 SER CA C 125 62.356 62.356 61.410 0.946 18261 12617 1 17 . 1 1 125 125 SER CB C 125 62.890 62.890 62.745 0.145 18261 12618 1 17 . 1 1 125 125 SER H H 125 7.863 7.863 8.104 -0.241 18261 12619 1 17 . 1 1 126 126 MET N N 126 120.797 120.797 120.983 -0.186 18261 12620 1 17 . 1 1 126 126 MET HA H 126 4.051 4.051 4.252 -0.201 18261 12621 1 17 . 1 1 126 126 MET C C 126 179.254 179.254 176.940 2.314 18261 12622 1 17 . 1 1 126 126 MET CA C 126 58.939 58.939 58.656 0.283 18261 12623 1 17 . 1 1 126 126 MET CB C 126 32.625 32.625 32.758 -0.133 18261 12624 1 17 . 1 1 126 126 MET H H 126 8.033 8.033 7.201 0.832 18261 12625 1 17 . 1 1 127 127 PHE N N 127 118.244 118.244 117.661 0.583 18261 12626 1 17 . 1 1 127 127 PHE HA H 127 4.398 4.398 4.328 0.070 18261 12627 1 17 . 1 1 127 127 PHE C C 127 178.128 178.128 177.418 0.710 18261 12628 1 17 . 1 1 127 127 PHE CA C 127 59.991 59.991 59.158 0.833 18261 12629 1 17 . 1 1 127 127 PHE CB C 127 38.584 38.584 38.180 0.404 18261 12630 1 17 . 1 1 127 127 PHE H H 127 8.753 8.753 8.418 0.335 18261 12631 1 17 . 1 1 128 128 ALA N N 128 120.518 120.518 121.084 -0.566 18261 12632 1 17 . 1 1 128 128 ALA HA H 128 4.152 4.152 4.240 -0.088 18261 12633 1 17 . 1 1 128 128 ALA C C 128 178.789 178.789 179.085 -0.296 18261 12634 1 17 . 1 1 128 128 ALA CA C 128 54.570 54.570 54.561 0.009 18261 12635 1 17 . 1 1 128 128 ALA CB C 128 19.373 19.373 18.860 0.513 18261 12636 1 17 . 1 1 128 128 ALA H H 128 8.681 8.681 8.163 0.518 18261 12637 1 17 . 1 1 129 129 GLN N N 129 115.315 115.315 117.205 -1.890 18261 12638 1 17 . 1 1 129 129 GLN HA H 129 4.197 4.197 4.050 0.147 18261 12639 1 17 . 1 1 129 129 GLN C C 129 177.258 177.258 177.067 0.191 18261 12640 1 17 . 1 1 129 129 GLN CA C 129 57.519 57.519 57.812 -0.293 18261 12641 1 17 . 1 1 129 129 GLN CB C 129 29.271 29.271 28.965 0.306 18261 12642 1 17 . 1 1 129 129 GLN H H 129 7.835 7.835 7.784 0.051 18261 12643 1 17 . 1 1 130 130 ALA N N 130 121.556 121.556 119.779 1.777 18261 12644 1 17 . 1 1 130 130 ALA HA H 130 4.285 4.285 4.066 0.219 18261 12645 1 17 . 1 1 130 130 ALA C C 130 178.564 178.564 177.365 1.199 18261 12646 1 17 . 1 1 130 130 ALA CA C 130 53.823 53.823 53.288 0.535 18261 12647 1 17 . 1 1 130 130 ALA CB C 130 19.058 19.058 18.352 0.706 18261 12648 1 17 . 1 1 130 130 ALA H H 130 7.758 7.758 7.687 0.071 18261 12649 1 17 . 1 1 131 131 GLY N N 131 105.780 105.780 101.753 4.027 18261 12650 1 17 . 1 1 131 131 GLY C C 131 173.970 173.970 175.019 -1.049 18261 12651 1 17 . 1 1 131 131 GLY CA C 131 45.702 45.702 45.124 0.578 18261 12652 1 17 . 1 1 131 131 GLY H H 131 8.222 8.222 7.945 0.277 18261 12653 1 17 . 1 1 132 132 MET N N 132 118.358 118.358 118.710 -0.352 18261 12654 1 17 . 1 1 132 132 MET HA H 132 4.540 4.540 3.965 0.575 18261 12655 1 17 . 1 1 132 132 MET C C 132 175.952 175.952 176.886 -0.934 18261 12656 1 17 . 1 1 132 132 MET CA C 132 55.611 55.611 58.010 -2.399 18261 12657 1 17 . 1 1 132 132 MET CB C 132 33.473 33.473 32.895 0.578 18261 12658 1 17 . 1 1 132 132 MET H H 132 7.763 7.763 8.001 -0.238 18261 12659 1 17 . 1 1 133 133 ASN N N 133 119.002 119.002 118.091 0.911 18261 12660 1 17 . 1 1 133 133 ASN HA H 133 4.725 4.725 4.439 0.286 18261 12661 1 17 . 1 1 133 133 ASN C C 133 174.646 174.646 174.960 -0.314 18261 12662 1 17 . 1 1 133 133 ASN CA C 133 53.512 53.512 54.735 -1.223 18261 12663 1 17 . 1 1 133 133 ASN CB C 133 39.301 39.301 37.987 1.314 18261 12664 1 17 . 1 1 133 133 ASN H H 133 8.289 8.289 7.910 0.379 18261 12665 1 17 . 1 1 134 134 ASP N N 134 120.907 120.907 122.988 -2.081 18261 12666 1 17 . 1 1 134 134 ASP HA H 134 4.659 4.659 4.410 0.249 18261 12667 1 17 . 1 1 134 134 ASP C C 134 176.162 176.162 175.027 1.135 18261 12668 1 17 . 1 1 134 134 ASP CA C 134 54.379 54.379 55.210 -0.831 18261 12669 1 17 . 1 1 134 134 ASP CB C 134 41.291 41.291 40.389 0.902 18261 12670 1 17 . 1 1 134 134 ASP H H 134 8.364 8.364 8.596 -0.232 18261 12671 1 17 . 1 1 135 135 VAL N N 135 119.971 119.971 117.719 2.252 18261 12672 1 17 . 1 1 135 135 VAL HA H 135 4.214 4.214 4.223 -0.009 18261 12673 1 17 . 1 1 135 135 VAL C C 135 176.162 176.162 175.813 0.349 18261 12674 1 17 . 1 1 135 135 VAL CA C 135 62.157 62.157 62.441 -0.284 18261 12675 1 17 . 1 1 135 135 VAL CB C 135 32.644 32.644 32.574 0.070 18261 12676 1 17 . 1 1 135 135 VAL H H 135 8.118 8.118 7.963 0.155 18261 12677 1 17 . 1 1 136 136 SER N N 136 119.918 119.918 119.062 0.856 18261 12678 1 17 . 1 1 136 136 SER HA H 136 4.462 4.462 4.606 -0.144 18261 12679 1 17 . 1 1 136 136 SER C C 136 173.325 173.325 173.932 -0.607 18261 12680 1 17 . 1 1 136 136 SER CA C 136 58.342 58.342 58.761 -0.419 18261 12681 1 17 . 1 1 136 136 SER CB C 136 64.041 64.041 61.922 2.119 18261 12682 1 17 . 1 1 136 136 SER H H 136 8.410 8.410 8.318 0.092 18261 12683 1 18 . 1 1 3 3 GLY CA C 3 45.200 45.200 44.727 0.473 18261 12684 1 18 . 1 1 4 4 ASN N N 4 124.083 124.083 119.459 4.624 18261 12685 1 18 . 1 1 4 4 ASN HA H 4 4.530 4.530 4.718 -0.188 18261 12686 1 18 . 1 1 4 4 ASN C C 4 179.449 179.449 175.501 3.948 18261 12687 1 18 . 1 1 4 4 ASN CA C 4 54.803 54.803 53.984 0.819 18261 12688 1 18 . 1 1 4 4 ASN CB C 4 41.106 41.106 39.135 1.972 18261 12689 1 18 . 1 1 4 4 ASN H H 4 7.981 7.981 8.086 -0.105 18261 12690 1 18 . 1 1 6 6 HIS HA H 6 4.693 4.693 4.527 0.166 18261 12691 1 18 . 1 1 6 6 HIS CA C 6 56.115 56.115 55.423 0.692 18261 12692 1 18 . 1 1 6 6 HIS CB C 6 31.011 31.011 30.427 0.584 18261 12693 1 18 . 1 1 7 7 THR N N 7 115.238 115.238 122.449 -7.211 18261 12694 1 18 . 1 1 7 7 THR HA H 7 4.318 4.318 4.153 0.165 18261 12695 1 18 . 1 1 7 7 THR C C 7 173.970 173.970 174.090 -0.120 18261 12696 1 18 . 1 1 7 7 THR CA C 7 62.099 62.099 62.687 -0.588 18261 12697 1 18 . 1 1 7 7 THR CB C 7 69.779 69.779 68.534 1.245 18261 12698 1 18 . 1 1 7 7 THR H H 7 8.120 8.120 8.486 -0.366 18261 12699 1 18 . 1 1 8 8 THR N N 8 115.713 115.713 121.884 -6.171 18261 12700 1 18 . 1 1 8 8 THR HA H 8 4.146 4.146 4.323 -0.177 18261 12701 1 18 . 1 1 8 8 THR C C 8 172.664 172.664 173.191 -0.527 18261 12702 1 18 . 1 1 8 8 THR CA C 8 58.349 58.349 58.846 -0.497 18261 12703 1 18 . 1 1 8 8 THR CB C 8 69.219 69.219 70.751 -1.532 18261 12704 1 18 . 1 1 8 8 THR H H 8 7.977 7.977 7.724 0.253 18261 12705 1 18 . 1 1 9 9 PRO HA H 9 3.939 3.939 4.204 -0.265 18261 12706 1 18 . 1 1 9 9 PRO CA C 9 62.965 62.965 64.315 -1.350 18261 12707 1 18 . 1 1 9 9 PRO CB C 9 30.610 30.610 31.029 -0.419 18261 12708 1 18 . 1 1 10 10 TRP N N 10 111.487 111.487 114.183 -2.696 18261 12709 1 18 . 1 1 10 10 TRP HA H 10 4.899 4.899 4.534 0.365 18261 12710 1 18 . 1 1 10 10 TRP C C 10 175.817 175.817 176.836 -1.019 18261 12711 1 18 . 1 1 10 10 TRP CA C 10 54.292 54.292 55.797 -1.505 18261 12712 1 18 . 1 1 10 10 TRP CB C 10 31.219 31.219 29.079 2.140 18261 12713 1 18 . 1 1 10 10 TRP H H 10 6.681 6.681 7.070 -0.389 18261 12714 1 18 . 1 1 11 11 THR N N 11 106.120 106.120 112.898 -6.778 18261 12715 1 18 . 1 1 11 11 THR HA H 11 3.905 3.905 4.080 -0.175 18261 12716 1 18 . 1 1 11 11 THR C C 11 173.970 173.970 174.949 -0.979 18261 12717 1 18 . 1 1 11 11 THR CA C 11 63.937 63.937 63.743 0.194 18261 12718 1 18 . 1 1 11 11 THR CB C 11 69.242 69.242 69.084 0.158 18261 12719 1 18 . 1 1 11 11 THR H H 11 7.189 7.189 7.403 -0.214 18261 12720 1 18 . 1 1 12 12 ASN N N 12 116.403 116.403 119.704 -3.301 18261 12721 1 18 . 1 1 12 12 ASN HA H 12 5.115 5.115 5.020 0.095 18261 12722 1 18 . 1 1 12 12 ASN C C 12 172.889 172.889 174.573 -1.684 18261 12723 1 18 . 1 1 12 12 ASN CA C 12 51.276 51.276 49.659 1.617 18261 12724 1 18 . 1 1 12 12 ASN CB C 12 40.474 40.474 39.910 0.564 18261 12725 1 18 . 1 1 12 12 ASN H H 12 7.282 7.282 7.786 -0.504 18261 12726 1 18 . 1 1 13 13 PRO HA H 13 4.210 4.210 4.342 -0.132 18261 12727 1 18 . 1 1 13 13 PRO CA C 13 65.516 65.516 65.203 0.313 18261 12728 1 18 . 1 1 13 13 PRO CB C 13 32.418 32.418 32.041 0.377 18261 12729 1 18 . 1 1 14 14 GLY N N 14 108.796 108.796 106.144 2.652 18261 12730 1 18 . 1 1 14 14 GLY C C 14 175.952 175.952 175.927 0.025 18261 12731 1 18 . 1 1 14 14 GLY CA C 14 47.073 47.073 46.788 0.285 18261 12732 1 18 . 1 1 14 14 GLY H H 14 8.363 8.363 8.872 -0.509 18261 12733 1 18 . 1 1 15 15 LEU N N 15 124.473 124.473 123.540 0.933 18261 12734 1 18 . 1 1 15 15 LEU HA H 15 4.335 4.335 4.161 0.174 18261 12735 1 18 . 1 1 15 15 LEU C C 15 178.564 178.564 178.396 0.168 18261 12736 1 18 . 1 1 15 15 LEU CA C 15 57.402 57.402 57.122 0.280 18261 12737 1 18 . 1 1 15 15 LEU CB C 15 41.600 41.600 41.607 -0.007 18261 12738 1 18 . 1 1 15 15 LEU H H 15 7.890 7.890 7.518 0.372 18261 12739 1 18 . 1 1 16 16 ALA N N 16 121.371 121.371 121.112 0.259 18261 12740 1 18 . 1 1 16 16 ALA HA H 16 4.000 4.000 4.021 -0.021 18261 12741 1 18 . 1 1 16 16 ALA C C 16 179.104 179.104 179.563 -0.459 18261 12742 1 18 . 1 1 16 16 ALA CA C 16 56.360 56.360 55.484 0.876 18261 12743 1 18 . 1 1 16 16 ALA CB C 16 19.351 19.351 18.001 1.350 18261 12744 1 18 . 1 1 16 16 ALA H H 16 8.429 8.429 8.253 0.176 18261 12745 1 18 . 1 1 17 17 GLU N N 17 117.199 117.199 119.545 -2.346 18261 12746 1 18 . 1 1 17 17 GLU HA H 17 3.964 3.964 3.930 0.034 18261 12747 1 18 . 1 1 17 17 GLU C C 17 177.993 177.993 178.887 -0.894 18261 12748 1 18 . 1 1 17 17 GLU CA C 17 59.543 59.543 59.942 -0.399 18261 12749 1 18 . 1 1 17 17 GLU CB C 17 29.932 29.932 29.676 0.256 18261 12750 1 18 . 1 1 17 17 GLU H H 17 8.030 8.030 8.267 -0.237 18261 12751 1 18 . 1 1 18 18 ASN N N 18 118.433 118.433 117.855 0.578 18261 12752 1 18 . 1 1 18 18 ASN HA H 18 4.546 4.546 4.521 0.025 18261 12753 1 18 . 1 1 18 18 ASN C C 18 178.347 178.347 177.815 0.532 18261 12754 1 18 . 1 1 18 18 ASN CA C 18 56.226 56.226 56.356 -0.130 18261 12755 1 18 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.676 -0.552 18261 12756 1 18 . 1 1 18 18 ASN H H 18 8.075 8.075 8.034 0.041 18261 12757 1 18 . 1 1 19 19 PHE N N 19 122.078 122.078 123.948 -1.870 18261 12758 1 18 . 1 1 19 19 PHE HA H 19 3.881 3.881 4.253 -0.372 18261 12759 1 18 . 1 1 19 19 PHE C C 19 176.837 176.837 177.214 -0.377 18261 12760 1 18 . 1 1 19 19 PHE CA C 19 62.230 62.230 62.046 0.184 18261 12761 1 18 . 1 1 19 19 PHE CB C 19 39.450 39.450 39.266 0.184 18261 12762 1 18 . 1 1 19 19 PHE H H 19 9.623 9.623 8.779 0.844 18261 12763 1 18 . 1 1 20 20 MET N N 20 118.264 118.264 117.086 1.178 18261 12764 1 18 . 1 1 20 20 MET HA H 20 4.424 4.424 4.131 0.293 18261 12765 1 18 . 1 1 20 20 MET C C 20 178.924 178.924 178.946 -0.022 18261 12766 1 18 . 1 1 20 20 MET CA C 20 57.480 57.480 57.325 0.155 18261 12767 1 18 . 1 1 20 20 MET CB C 20 31.929 31.929 31.135 0.794 18261 12768 1 18 . 1 1 20 20 MET H H 20 8.865 8.865 8.516 0.349 18261 12769 1 18 . 1 1 21 21 ASN N N 21 118.455 118.455 119.457 -1.002 18261 12770 1 18 . 1 1 21 21 ASN HA H 21 4.542 4.542 4.473 0.069 18261 12771 1 18 . 1 1 21 21 ASN C C 21 178.249 178.249 177.921 0.328 18261 12772 1 18 . 1 1 21 21 ASN CA C 21 56.305 56.305 56.991 -0.686 18261 12773 1 18 . 1 1 21 21 ASN CB C 21 37.916 37.916 38.593 -0.677 18261 12774 1 18 . 1 1 21 21 ASN H H 21 8.453 8.453 8.151 0.302 18261 12775 1 18 . 1 1 22 22 SER N N 22 116.036 116.036 116.255 -0.219 18261 12776 1 18 . 1 1 22 22 SER HA H 22 4.196 4.196 4.481 -0.285 18261 12777 1 18 . 1 1 22 22 SER C C 22 178.143 178.143 176.258 1.885 18261 12778 1 18 . 1 1 22 22 SER CA C 22 62.256 62.256 61.581 0.675 18261 12779 1 18 . 1 1 22 22 SER CB C 22 62.870 62.870 63.201 -0.331 18261 12780 1 18 . 1 1 22 22 SER H H 22 7.959 7.959 8.313 -0.354 18261 12781 1 18 . 1 1 23 23 PHE N N 23 124.987 124.987 124.692 0.295 18261 12782 1 18 . 1 1 23 23 PHE HA H 23 4.005 4.005 4.119 -0.114 18261 12783 1 18 . 1 1 23 23 PHE C C 23 175.652 175.652 176.742 -1.090 18261 12784 1 18 . 1 1 23 23 PHE CA C 23 60.525 60.525 61.014 -0.488 18261 12785 1 18 . 1 1 23 23 PHE CB C 23 38.899 38.899 39.144 -0.245 18261 12786 1 18 . 1 1 23 23 PHE H H 23 9.045 9.045 8.408 0.637 18261 12787 1 18 . 1 1 24 24 MET N N 24 117.260 117.260 115.891 1.369 18261 12788 1 18 . 1 1 24 24 MET HA H 24 4.040 4.040 3.982 0.058 18261 12789 1 18 . 1 1 24 24 MET C C 24 179.797 179.797 177.793 2.004 18261 12790 1 18 . 1 1 24 24 MET CA C 24 56.047 56.047 55.421 0.626 18261 12791 1 18 . 1 1 24 24 MET CB C 24 30.308 30.308 31.371 -1.063 18261 12792 1 18 . 1 1 24 24 MET H H 24 8.302 8.302 8.114 0.188 18261 12793 1 18 . 1 1 25 25 GLN N N 25 120.167 120.167 118.583 1.584 18261 12794 1 18 . 1 1 25 25 GLN HA H 25 3.985 3.985 4.169 -0.184 18261 12795 1 18 . 1 1 25 25 GLN C C 25 179.870 179.870 178.054 1.816 18261 12796 1 18 . 1 1 25 25 GLN CA C 25 59.136 59.136 58.428 0.708 18261 12797 1 18 . 1 1 25 25 GLN CB C 25 28.234 28.234 28.659 -0.425 18261 12798 1 18 . 1 1 25 25 GLN H H 25 8.038 8.038 7.354 0.684 18261 12799 1 18 . 1 1 26 26 GLY N N 26 107.636 107.636 107.506 0.130 18261 12800 1 18 . 1 1 26 26 GLY C C 26 176.387 176.387 175.798 0.589 18261 12801 1 18 . 1 1 26 26 GLY CA C 26 46.911 46.911 45.745 1.166 18261 12802 1 18 . 1 1 26 26 GLY H H 26 8.095 8.095 7.584 0.511 18261 12803 1 18 . 1 1 27 27 LEU N N 27 122.877 122.877 123.688 -0.811 18261 12804 1 18 . 1 1 27 27 LEU HA H 27 3.783 3.783 3.963 -0.180 18261 12805 1 18 . 1 1 27 27 LEU C C 27 178.564 178.564 178.530 0.034 18261 12806 1 18 . 1 1 27 27 LEU CA C 27 57.262 57.262 57.279 -0.016 18261 12807 1 18 . 1 1 27 27 LEU CB C 27 42.076 42.076 41.028 1.048 18261 12808 1 18 . 1 1 27 27 LEU H H 27 8.369 8.369 8.344 0.025 18261 12809 1 18 . 1 1 28 28 SER N N 28 109.474 109.474 112.246 -2.772 18261 12810 1 18 . 1 1 28 28 SER HA H 28 4.138 4.138 4.268 -0.130 18261 12811 1 18 . 1 1 28 28 SER C C 28 174.421 174.421 175.357 -0.936 18261 12812 1 18 . 1 1 28 28 SER CA C 28 61.153 61.153 60.411 0.742 18261 12813 1 18 . 1 1 28 28 SER CB C 28 63.320 63.320 62.964 0.356 18261 12814 1 18 . 1 1 28 28 SER H H 28 7.527 7.527 7.768 -0.241 18261 12815 1 18 . 1 1 29 29 SER N N 29 114.550 114.550 115.574 -1.024 18261 12816 1 18 . 1 1 29 29 SER HA H 29 4.734 4.734 4.574 0.160 18261 12817 1 18 . 1 1 29 29 SER C C 29 173.970 173.970 174.023 -0.053 18261 12818 1 18 . 1 1 29 29 SER CA C 29 57.927 57.927 58.581 -0.654 18261 12819 1 18 . 1 1 29 29 SER CB C 29 64.500 64.500 64.040 0.460 18261 12820 1 18 . 1 1 29 29 SER H H 29 7.449 7.449 7.762 -0.313 18261 12821 1 18 . 1 1 30 30 MET N N 30 122.420 122.420 122.881 -0.461 18261 12822 1 18 . 1 1 30 30 MET HA H 30 4.952 4.952 4.866 0.086 18261 12823 1 18 . 1 1 30 30 MET C C 30 174.195 174.195 174.212 -0.017 18261 12824 1 18 . 1 1 30 30 MET CA C 30 53.638 53.638 51.415 2.223 18261 12825 1 18 . 1 1 30 30 MET CB C 30 32.305 32.305 31.855 0.450 18261 12826 1 18 . 1 1 30 30 MET H H 30 7.674 7.674 7.627 0.047 18261 12827 1 18 . 1 1 31 31 PRO HA H 31 4.669 4.669 4.439 0.230 18261 12828 1 18 . 1 1 31 31 PRO CA C 31 62.880 62.880 63.408 -0.528 18261 12829 1 18 . 1 1 31 31 PRO CB C 31 32.742 32.742 31.969 0.773 18261 12830 1 18 . 1 1 32 32 GLY N N 32 106.222 106.222 110.078 -3.856 18261 12831 1 18 . 1 1 32 32 GLY C C 32 172.454 172.454 173.144 -0.690 18261 12832 1 18 . 1 1 32 32 GLY CA C 32 45.608 45.608 45.123 0.485 18261 12833 1 18 . 1 1 32 32 GLY H H 32 8.415 8.415 8.476 -0.061 18261 12834 1 18 . 1 1 33 33 PHE N N 33 116.404 116.404 119.904 -3.500 18261 12835 1 18 . 1 1 33 33 PHE HA H 33 5.167 5.167 5.056 0.111 18261 12836 1 18 . 1 1 33 33 PHE C C 33 176.387 176.387 175.621 0.766 18261 12837 1 18 . 1 1 33 33 PHE CA C 33 56.750 56.750 57.467 -0.717 18261 12838 1 18 . 1 1 33 33 PHE CB C 33 42.080 42.080 41.204 0.876 18261 12839 1 18 . 1 1 33 33 PHE H H 33 7.871 7.871 7.491 0.380 18261 12840 1 18 . 1 1 34 34 THR N N 34 113.684 113.684 117.494 -3.810 18261 12841 1 18 . 1 1 34 34 THR HA H 34 4.545 4.545 4.534 0.011 18261 12842 1 18 . 1 1 34 34 THR C C 34 175.066 175.066 175.890 -0.824 18261 12843 1 18 . 1 1 34 34 THR CA C 34 60.339 60.339 59.982 0.357 18261 12844 1 18 . 1 1 34 34 THR CB C 34 70.381 70.381 71.159 -0.778 18261 12845 1 18 . 1 1 34 34 THR H H 34 8.899 8.899 8.599 0.300 18261 12846 1 18 . 1 1 35 35 ALA N N 35 122.927 122.927 127.760 -4.833 18261 12847 1 18 . 1 1 35 35 ALA HA H 35 4.092 4.092 4.101 -0.009 18261 12848 1 18 . 1 1 35 35 ALA C C 35 180.755 180.755 179.556 1.199 18261 12849 1 18 . 1 1 35 35 ALA CA C 35 55.827 55.827 55.110 0.717 18261 12850 1 18 . 1 1 35 35 ALA CB C 35 18.098 18.098 18.791 -0.693 18261 12851 1 18 . 1 1 35 35 ALA H H 35 8.864 8.864 8.831 0.033 18261 12852 1 18 . 1 1 36 36 SER N N 36 112.708 112.708 114.704 -1.996 18261 12853 1 18 . 1 1 36 36 SER HA H 36 4.276 4.276 4.098 0.178 18261 12854 1 18 . 1 1 36 36 SER C C 36 177.033 177.033 176.398 0.635 18261 12855 1 18 . 1 1 36 36 SER CA C 36 61.403 61.403 61.499 -0.096 18261 12856 1 18 . 1 1 36 36 SER CB C 36 62.371 62.371 62.801 -0.430 18261 12857 1 18 . 1 1 36 36 SER H H 36 8.389 8.389 7.990 0.399 18261 12858 1 18 . 1 1 37 37 GLN N N 37 121.595 121.595 121.328 0.267 18261 12859 1 18 . 1 1 37 37 GLN HA H 37 4.272 4.272 4.174 0.098 18261 12860 1 18 . 1 1 37 37 GLN C C 37 179.149 179.149 178.523 0.626 18261 12861 1 18 . 1 1 37 37 GLN CA C 37 58.638 58.638 59.104 -0.466 18261 12862 1 18 . 1 1 37 37 GLN CB C 37 29.123 29.123 28.202 0.921 18261 12863 1 18 . 1 1 37 37 GLN H H 37 7.621 7.621 8.447 -0.826 18261 12864 1 18 . 1 1 38 38 LEU N N 38 119.852 119.852 121.801 -1.949 18261 12865 1 18 . 1 1 38 38 LEU HA H 38 3.838 3.838 3.900 -0.062 18261 12866 1 18 . 1 1 38 38 LEU C C 38 179.675 179.675 178.500 1.175 18261 12867 1 18 . 1 1 38 38 LEU CA C 38 57.929 57.929 58.639 -0.710 18261 12868 1 18 . 1 1 38 38 LEU CB C 38 40.918 40.918 41.802 -0.884 18261 12869 1 18 . 1 1 38 38 LEU H H 38 8.341 8.341 8.868 -0.527 18261 12870 1 18 . 1 1 39 39 ASP N N 39 122.065 122.065 118.877 3.188 18261 12871 1 18 . 1 1 39 39 ASP HA H 39 4.439 4.439 4.318 0.121 18261 12872 1 18 . 1 1 39 39 ASP C C 39 179.224 179.224 178.720 0.504 18261 12873 1 18 . 1 1 39 39 ASP CA C 39 57.710 57.710 57.599 0.111 18261 12874 1 18 . 1 1 39 39 ASP CB C 39 40.245 40.245 40.587 -0.343 18261 12875 1 18 . 1 1 39 39 ASP H H 39 7.955 7.955 8.260 -0.305 18261 12876 1 18 . 1 1 40 40 ASP N N 40 121.957 121.957 120.523 1.434 18261 12877 1 18 . 1 1 40 40 ASP HA H 40 4.483 4.483 4.381 0.102 18261 12878 1 18 . 1 1 40 40 ASP C C 40 179.600 179.600 178.531 1.069 18261 12879 1 18 . 1 1 40 40 ASP CA C 40 57.745 57.745 57.507 0.238 18261 12880 1 18 . 1 1 40 40 ASP CB C 40 40.190 40.190 40.792 -0.602 18261 12881 1 18 . 1 1 40 40 ASP H H 40 8.022 8.022 8.296 -0.274 18261 12882 1 18 . 1 1 41 41 MET N N 41 121.160 121.160 119.850 1.310 18261 12883 1 18 . 1 1 41 41 MET HA H 41 4.204 4.204 4.114 0.090 18261 12884 1 18 . 1 1 41 41 MET C C 41 177.693 177.693 178.195 -0.502 18261 12885 1 18 . 1 1 41 41 MET CA C 41 57.634 57.634 59.075 -1.441 18261 12886 1 18 . 1 1 41 41 MET CB C 41 31.422 31.422 32.786 -1.364 18261 12887 1 18 . 1 1 41 41 MET H H 41 8.668 8.668 8.363 0.305 18261 12888 1 18 . 1 1 42 42 SER N N 42 116.421 116.421 114.648 1.773 18261 12889 1 18 . 1 1 42 42 SER HA H 42 4.304 4.304 4.198 0.106 18261 12890 1 18 . 1 1 42 42 SER C C 42 177.483 177.483 176.702 0.781 18261 12891 1 18 . 1 1 42 42 SER CA C 42 62.075 62.075 62.049 0.026 18261 12892 1 18 . 1 1 42 42 SER CB C 42 62.765 62.765 63.103 -0.338 18261 12893 1 18 . 1 1 42 42 SER H H 42 8.375 8.375 8.543 -0.168 18261 12894 1 18 . 1 1 43 43 THR N N 43 118.797 118.797 118.671 0.126 18261 12895 1 18 . 1 1 43 43 THR HA H 43 4.042 4.042 4.092 -0.050 18261 12896 1 18 . 1 1 43 43 THR C C 43 177.258 177.258 176.637 0.621 18261 12897 1 18 . 1 1 43 43 THR CA C 43 66.584 66.584 66.990 -0.406 18261 12898 1 18 . 1 1 43 43 THR CB C 43 68.490 68.490 68.564 -0.075 18261 12899 1 18 . 1 1 43 43 THR H H 43 7.928 7.928 8.107 -0.179 18261 12900 1 18 . 1 1 44 44 ILE N N 44 122.960 122.960 121.003 1.957 18261 12901 1 18 . 1 1 44 44 ILE HA H 44 3.930 3.930 3.819 0.111 18261 12902 1 18 . 1 1 44 44 ILE C C 44 178.564 178.564 177.726 0.838 18261 12903 1 18 . 1 1 44 44 ILE CA C 44 64.483 64.483 62.754 1.730 18261 12904 1 18 . 1 1 44 44 ILE CB C 44 38.015 38.015 36.328 1.688 18261 12905 1 18 . 1 1 44 44 ILE H H 44 7.863 7.863 8.460 -0.597 18261 12906 1 18 . 1 1 45 45 ALA N N 45 124.792 124.792 123.226 1.566 18261 12907 1 18 . 1 1 45 45 ALA HA H 45 4.122 4.122 4.062 0.060 18261 12908 1 18 . 1 1 45 45 ALA C C 45 179.404 179.404 179.864 -0.460 18261 12909 1 18 . 1 1 45 45 ALA CA C 45 56.009 56.009 55.346 0.663 18261 12910 1 18 . 1 1 45 45 ALA CB C 45 18.908 18.908 18.430 0.478 18261 12911 1 18 . 1 1 45 45 ALA H H 45 8.853 8.853 8.432 0.421 18261 12912 1 18 . 1 1 46 46 GLN N N 46 116.307 116.307 117.229 -0.922 18261 12913 1 18 . 1 1 46 46 GLN HA H 46 4.068 4.068 4.070 -0.002 18261 12914 1 18 . 1 1 46 46 GLN C C 46 179.014 179.014 178.588 0.426 18261 12915 1 18 . 1 1 46 46 GLN CA C 46 58.903 58.903 57.613 1.290 18261 12916 1 18 . 1 1 46 46 GLN CB C 46 28.250 28.250 27.753 0.497 18261 12917 1 18 . 1 1 46 46 GLN H H 46 8.238 8.238 8.259 -0.021 18261 12918 1 18 . 1 1 47 47 SER N N 47 115.959 115.959 116.429 -0.470 18261 12919 1 18 . 1 1 47 47 SER HA H 47 4.261 4.261 4.192 0.069 18261 12920 1 18 . 1 1 47 47 SER C C 47 177.483 177.483 176.738 0.745 18261 12921 1 18 . 1 1 47 47 SER CA C 47 61.526 61.526 61.491 0.035 18261 12922 1 18 . 1 1 47 47 SER CB C 47 62.842 62.842 62.936 -0.094 18261 12923 1 18 . 1 1 47 47 SER H H 47 8.223 8.223 7.996 0.227 18261 12924 1 18 . 1 1 48 48 MET N N 48 121.963 121.963 120.434 1.529 18261 12925 1 18 . 1 1 48 48 MET HA H 48 4.110 4.110 4.005 0.105 18261 12926 1 18 . 1 1 48 48 MET C C 48 177.798 177.798 178.439 -0.641 18261 12927 1 18 . 1 1 48 48 MET CA C 48 57.531 57.531 57.837 -0.306 18261 12928 1 18 . 1 1 48 48 MET CB C 48 31.169 31.169 31.640 -0.470 18261 12929 1 18 . 1 1 48 48 MET H H 48 8.245 8.245 8.090 0.155 18261 12930 1 18 . 1 1 49 49 VAL N N 49 119.045 119.045 120.325 -1.280 18261 12931 1 18 . 1 1 49 49 VAL HA H 49 3.300 3.300 3.544 -0.244 18261 12932 1 18 . 1 1 49 49 VAL C C 49 177.910 177.910 178.397 -0.487 18261 12933 1 18 . 1 1 49 49 VAL CA C 49 67.811 67.811 67.299 0.511 18261 12934 1 18 . 1 1 49 49 VAL CB C 49 31.370 31.370 31.168 0.202 18261 12935 1 18 . 1 1 49 49 VAL H H 49 7.809 7.809 8.135 -0.326 18261 12936 1 18 . 1 1 50 50 GLN N N 50 118.357 118.357 117.505 0.852 18261 12937 1 18 . 1 1 50 50 GLN HA H 50 4.091 4.091 3.937 0.154 18261 12938 1 18 . 1 1 50 50 GLN C C 50 179.449 179.449 178.514 0.935 18261 12939 1 18 . 1 1 50 50 GLN CA C 50 59.056 59.056 58.440 0.616 18261 12940 1 18 . 1 1 50 50 GLN CB C 50 28.020 28.020 27.914 0.106 18261 12941 1 18 . 1 1 50 50 GLN H H 50 8.225 8.225 8.653 -0.428 18261 12942 1 18 . 1 1 51 51 SER N N 51 117.253 117.253 115.856 1.397 18261 12943 1 18 . 1 1 51 51 SER HA H 51 4.235 4.235 4.228 0.007 18261 12944 1 18 . 1 1 51 51 SER C C 51 176.374 176.374 176.910 -0.536 18261 12945 1 18 . 1 1 51 51 SER CA C 51 62.752 62.752 61.082 1.670 18261 12946 1 18 . 1 1 51 51 SER CB C 51 62.963 62.963 62.728 0.235 18261 12947 1 18 . 1 1 51 51 SER H H 51 8.328 8.328 7.947 0.381 18261 12948 1 18 . 1 1 52 52 ILE N N 52 123.114 123.114 122.348 0.766 18261 12949 1 18 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.676 -0.077 18261 12950 1 18 . 1 1 52 52 ILE C C 52 178.684 178.684 177.583 1.101 18261 12951 1 18 . 1 1 52 52 ILE CA C 52 64.736 64.736 64.685 0.051 18261 12952 1 18 . 1 1 52 52 ILE CB C 52 37.838 37.838 37.525 0.313 18261 12953 1 18 . 1 1 52 52 ILE H H 52 8.147 8.147 8.036 0.111 18261 12954 1 18 . 1 1 53 53 GLN N N 53 120.011 120.011 119.523 0.488 18261 12955 1 18 . 1 1 53 53 GLN HA H 53 3.946 3.946 3.992 -0.046 18261 12956 1 18 . 1 1 53 53 GLN C C 53 179.014 179.014 178.217 0.797 18261 12957 1 18 . 1 1 53 53 GLN CA C 53 59.501 59.501 58.795 0.706 18261 12958 1 18 . 1 1 53 53 GLN CB C 53 27.901 27.901 28.360 -0.459 18261 12959 1 18 . 1 1 53 53 GLN H H 53 8.583 8.583 8.417 0.166 18261 12960 1 18 . 1 1 54 54 SER N N 54 115.479 115.479 113.809 1.670 18261 12961 1 18 . 1 1 54 54 SER HA H 54 4.302 4.302 4.411 -0.109 18261 12962 1 18 . 1 1 54 54 SER C C 54 176.822 176.822 176.231 0.591 18261 12963 1 18 . 1 1 54 54 SER CA C 54 61.492 61.492 60.374 1.118 18261 12964 1 18 . 1 1 54 54 SER CB C 54 62.880 62.880 63.812 -0.932 18261 12965 1 18 . 1 1 54 54 SER H H 54 8.271 8.271 7.726 0.545 18261 12966 1 18 . 1 1 55 55 LEU N N 55 121.519 121.519 124.285 -2.766 18261 12967 1 18 . 1 1 55 55 LEU HA H 55 4.068 4.068 3.991 0.077 18261 12968 1 18 . 1 1 55 55 LEU C C 55 179.434 179.434 177.400 2.034 18261 12969 1 18 . 1 1 55 55 LEU CA C 55 57.793 57.793 57.842 -0.049 18261 12970 1 18 . 1 1 55 55 LEU CB C 55 42.245 42.245 41.811 0.434 18261 12971 1 18 . 1 1 55 55 LEU H H 55 7.974 7.974 8.001 -0.027 18261 12972 1 18 . 1 1 56 56 ALA N N 56 121.040 121.040 118.237 2.803 18261 12973 1 18 . 1 1 56 56 ALA HA H 56 4.228 4.228 4.277 -0.049 18261 12974 1 18 . 1 1 56 56 ALA C C 56 180.530 180.530 177.930 2.600 18261 12975 1 18 . 1 1 56 56 ALA CA C 56 54.331 54.331 53.695 0.636 18261 12976 1 18 . 1 1 56 56 ALA CB C 56 18.075 18.075 18.286 -0.211 18261 12977 1 18 . 1 1 56 56 ALA H H 56 8.032 8.032 8.219 -0.187 18261 12978 1 18 . 1 1 57 57 ALA N N 57 121.325 121.325 120.326 0.999 18261 12979 1 18 . 1 1 57 57 ALA HA H 57 4.219 4.219 4.378 -0.159 18261 12980 1 18 . 1 1 57 57 ALA C C 57 179.344 179.344 179.027 0.317 18261 12981 1 18 . 1 1 57 57 ALA CA C 57 54.446 54.446 53.553 0.893 18261 12982 1 18 . 1 1 57 57 ALA CB C 57 18.470 18.470 19.747 -1.277 18261 12983 1 18 . 1 1 57 57 ALA H H 57 8.030 8.030 7.550 0.480 18261 12984 1 18 . 1 1 58 58 GLN N N 58 114.257 114.257 117.246 -2.989 18261 12985 1 18 . 1 1 58 58 GLN HA H 58 4.356 4.356 4.287 0.069 18261 12986 1 18 . 1 1 58 58 GLN C C 58 176.612 176.612 177.138 -0.526 18261 12987 1 18 . 1 1 58 58 GLN CA C 58 55.957 55.957 56.367 -0.410 18261 12988 1 18 . 1 1 58 58 GLN CB C 58 29.767 29.767 29.627 0.140 18261 12989 1 18 . 1 1 58 58 GLN H H 58 7.751 7.751 8.090 -0.339 18261 12990 1 18 . 1 1 59 59 GLY N N 59 108.304 108.304 107.631 0.673 18261 12991 1 18 . 1 1 59 59 GLY C C 59 174.856 174.856 174.551 0.305 18261 12992 1 18 . 1 1 59 59 GLY CA C 59 46.197 46.197 45.042 1.155 18261 12993 1 18 . 1 1 59 59 GLY H H 59 7.910 7.910 8.300 -0.390 18261 12994 1 18 . 1 1 60 60 ARG N N 60 118.258 118.258 122.593 -4.335 18261 12995 1 18 . 1 1 60 60 ARG HA H 60 4.553 4.553 4.366 0.187 18261 12996 1 18 . 1 1 60 60 ARG C C 60 175.847 175.847 175.340 0.507 18261 12997 1 18 . 1 1 60 60 ARG CA C 60 55.658 55.658 55.373 0.285 18261 12998 1 18 . 1 1 60 60 ARG CB C 60 31.714 31.714 29.213 2.501 18261 12999 1 18 . 1 1 60 60 ARG H H 60 8.108 8.108 7.791 0.317 18261 13000 1 18 . 1 1 61 61 THR N N 61 115.924 115.924 114.196 1.728 18261 13001 1 18 . 1 1 61 61 THR HA H 61 4.785 4.785 4.707 0.078 18261 13002 1 18 . 1 1 61 61 THR C C 61 173.654 173.654 173.155 0.499 18261 13003 1 18 . 1 1 61 61 THR CA C 61 63.140 63.140 60.209 2.931 18261 13004 1 18 . 1 1 61 61 THR CB C 61 68.602 68.602 70.968 -2.366 18261 13005 1 18 . 1 1 61 61 THR H H 61 7.970 7.970 7.813 0.157 18261 13006 1 18 . 1 1 62 62 SER N N 62 119.666 119.666 115.646 4.020 18261 13007 1 18 . 1 1 62 62 SER HA H 62 4.902 4.902 4.740 0.162 18261 13008 1 18 . 1 1 62 62 SER C C 62 173.207 173.207 172.674 0.533 18261 13009 1 18 . 1 1 62 62 SER CA C 62 56.193 56.193 55.730 0.463 18261 13010 1 18 . 1 1 62 62 SER CB C 62 63.781 63.781 64.696 -0.915 18261 13011 1 18 . 1 1 62 62 SER H H 62 7.788 7.788 8.414 -0.626 18261 13012 1 18 . 1 1 63 63 PRO HA H 63 4.313 4.313 4.319 -0.006 18261 13013 1 18 . 1 1 63 63 PRO CA C 63 65.746 65.746 65.902 -0.156 18261 13014 1 18 . 1 1 63 63 PRO CB C 63 32.147 32.147 32.116 0.031 18261 13015 1 18 . 1 1 64 64 ASN HA H 64 4.550 4.550 4.536 0.014 18261 13016 1 18 . 1 1 64 64 ASN CA C 64 56.202 56.202 56.427 -0.225 18261 13017 1 18 . 1 1 64 64 ASN CB C 64 38.000 38.000 38.406 -0.406 18261 13018 1 18 . 1 1 65 65 LYS N N 65 120.530 120.530 121.537 -1.007 18261 13019 1 18 . 1 1 65 65 LYS HA H 65 4.197 4.197 4.143 0.054 18261 13020 1 18 . 1 1 65 65 LYS C C 65 178.999 178.999 178.350 0.649 18261 13021 1 18 . 1 1 65 65 LYS CA C 65 58.250 58.250 59.007 -0.757 18261 13022 1 18 . 1 1 65 65 LYS CB C 65 32.498 32.498 32.143 0.355 18261 13023 1 18 . 1 1 65 65 LYS H H 65 7.770 7.770 7.556 0.214 18261 13024 1 18 . 1 1 66 66 LEU N N 66 118.804 118.804 120.747 -1.943 18261 13025 1 18 . 1 1 66 66 LEU HA H 66 4.070 4.070 4.267 -0.197 18261 13026 1 18 . 1 1 66 66 LEU C C 66 178.928 178.928 179.151 -0.223 18261 13027 1 18 . 1 1 66 66 LEU CA C 66 57.928 57.928 57.892 0.035 18261 13028 1 18 . 1 1 66 66 LEU CB C 66 41.329 41.329 40.914 0.415 18261 13029 1 18 . 1 1 66 66 LEU H H 66 7.932 7.932 8.769 -0.837 18261 13030 1 18 . 1 1 67 67 GLN N N 67 119.307 119.307 119.778 -0.471 18261 13031 1 18 . 1 1 67 67 GLN HA H 67 4.224 4.224 4.085 0.139 18261 13032 1 18 . 1 1 67 67 GLN C C 67 178.789 178.789 178.152 0.637 18261 13033 1 18 . 1 1 67 67 GLN CA C 67 58.862 58.862 59.291 -0.429 18261 13034 1 18 . 1 1 67 67 GLN CB C 67 28.052 28.052 28.728 -0.676 18261 13035 1 18 . 1 1 67 67 GLN H H 67 8.160 8.160 7.971 0.189 18261 13036 1 18 . 1 1 68 68 ALA N N 68 122.124 122.124 122.474 -0.350 18261 13037 1 18 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.125 0.065 18261 13038 1 18 . 1 1 68 68 ALA C C 68 180.320 180.320 179.645 0.675 18261 13039 1 18 . 1 1 68 68 ALA CA C 68 55.282 55.282 55.111 0.171 18261 13040 1 18 . 1 1 68 68 ALA CB C 68 18.251 18.251 18.421 -0.170 18261 13041 1 18 . 1 1 68 68 ALA H H 68 7.844 7.844 8.079 -0.234 18261 13042 1 18 . 1 1 69 69 LEU N N 69 119.481 119.481 118.312 1.169 18261 13043 1 18 . 1 1 69 69 LEU HA H 69 3.912 3.912 3.873 0.039 18261 13044 1 18 . 1 1 69 69 LEU C C 69 178.864 178.864 179.064 -0.200 18261 13045 1 18 . 1 1 69 69 LEU CA C 69 57.904 57.904 57.688 0.216 18261 13046 1 18 . 1 1 69 69 LEU CB C 69 41.052 41.052 41.069 -0.018 18261 13047 1 18 . 1 1 69 69 LEU H H 69 7.819 7.819 8.415 -0.596 18261 13048 1 18 . 1 1 70 70 ASN N N 70 119.633 119.633 119.171 0.462 18261 13049 1 18 . 1 1 70 70 ASN HA H 70 4.553 4.553 4.829 -0.276 18261 13050 1 18 . 1 1 70 70 ASN C C 70 177.483 177.483 177.802 -0.319 18261 13051 1 18 . 1 1 70 70 ASN CA C 70 57.125 57.125 56.614 0.511 18261 13052 1 18 . 1 1 70 70 ASN CB C 70 38.392 38.392 38.512 -0.120 18261 13053 1 18 . 1 1 70 70 ASN H H 70 8.265 8.265 8.040 0.225 18261 13054 1 18 . 1 1 71 71 MET N N 71 118.024 118.024 119.353 -1.329 18261 13055 1 18 . 1 1 71 71 MET HA H 71 4.201 4.201 4.259 -0.058 18261 13056 1 18 . 1 1 71 71 MET C C 71 178.279 178.279 178.841 -0.562 18261 13057 1 18 . 1 1 71 71 MET CA C 71 59.445 59.445 59.442 0.003 18261 13058 1 18 . 1 1 71 71 MET CB C 71 32.313 32.313 32.633 -0.320 18261 13059 1 18 . 1 1 71 71 MET H H 71 8.098 8.098 8.028 0.070 18261 13060 1 18 . 1 1 72 72 ARG N N 72 121.985 121.985 120.562 1.423 18261 13061 1 18 . 1 1 72 72 ARG HA H 72 3.981 3.981 4.042 -0.061 18261 13062 1 18 . 1 1 72 72 ARG C C 72 179.059 179.059 178.607 0.452 18261 13063 1 18 . 1 1 72 72 ARG CA C 72 59.058 59.058 59.572 -0.514 18261 13064 1 18 . 1 1 72 72 ARG CB C 72 30.120 30.120 30.165 -0.045 18261 13065 1 18 . 1 1 72 72 ARG H H 72 8.292 8.292 8.522 -0.230 18261 13066 1 18 . 1 1 73 73 PHE N N 73 122.085 122.085 120.409 1.676 18261 13067 1 18 . 1 1 73 73 PHE HA H 73 4.529 4.529 4.168 0.361 18261 13068 1 18 . 1 1 73 73 PHE C C 73 177.258 177.258 176.743 0.515 18261 13069 1 18 . 1 1 73 73 PHE CA C 73 59.248 59.248 60.650 -1.401 18261 13070 1 18 . 1 1 73 73 PHE CB C 73 39.527 39.527 38.874 0.653 18261 13071 1 18 . 1 1 73 73 PHE H H 73 8.703 8.703 8.513 0.190 18261 13072 1 18 . 1 1 74 74 ALA N N 74 119.273 119.273 121.255 -1.982 18261 13073 1 18 . 1 1 74 74 ALA HA H 74 3.764 3.764 3.738 0.026 18261 13074 1 18 . 1 1 74 74 ALA C C 74 179.374 179.374 179.496 -0.122 18261 13075 1 18 . 1 1 74 74 ALA CA C 74 55.324 55.324 55.226 0.098 18261 13076 1 18 . 1 1 74 74 ALA CB C 74 20.509 20.509 18.532 1.977 18261 13077 1 18 . 1 1 74 74 ALA H H 74 8.598 8.598 8.309 0.289 18261 13078 1 18 . 1 1 75 75 SER N N 75 113.611 113.611 114.191 -0.580 18261 13079 1 18 . 1 1 75 75 SER HA H 75 3.636 3.636 4.255 -0.619 18261 13080 1 18 . 1 1 75 75 SER CA C 75 61.936 61.936 61.715 0.221 18261 13081 1 18 . 1 1 75 75 SER CB C 75 61.869 61.869 62.430 -0.561 18261 13082 1 18 . 1 1 75 75 SER H H 75 8.780 8.780 8.528 0.252 18261 13083 1 18 . 1 1 76 76 SER N N 76 119.013 119.013 119.929 -0.916 18261 13084 1 18 . 1 1 76 76 SER HA H 76 4.310 4.310 4.454 -0.144 18261 13085 1 18 . 1 1 76 76 SER CA C 76 62.536 62.536 61.699 0.837 18261 13086 1 18 . 1 1 76 76 SER CB C 76 62.943 62.943 63.050 -0.106 18261 13087 1 18 . 1 1 76 76 SER H H 76 8.210 8.210 8.326 -0.116 18261 13088 1 18 . 1 1 77 77 MET N N 77 120.105 120.105 120.911 -0.806 18261 13089 1 18 . 1 1 77 77 MET HA H 77 4.027 4.027 4.024 0.003 18261 13090 1 18 . 1 1 77 77 MET C C 77 178.354 178.354 177.910 0.444 18261 13091 1 18 . 1 1 77 77 MET CA C 77 59.954 59.954 59.224 0.730 18261 13092 1 18 . 1 1 77 77 MET CB C 77 34.616 34.616 32.376 2.240 18261 13093 1 18 . 1 1 77 77 MET H H 77 8.005 8.005 7.685 0.320 18261 13094 1 18 . 1 1 78 78 ALA N N 78 121.530 121.530 122.793 -1.263 18261 13095 1 18 . 1 1 78 78 ALA HA H 78 3.933 3.933 4.050 -0.117 18261 13096 1 18 . 1 1 78 78 ALA C C 78 178.354 178.354 179.661 -1.307 18261 13097 1 18 . 1 1 78 78 ALA CA C 78 55.427 55.427 55.343 0.084 18261 13098 1 18 . 1 1 78 78 ALA CB C 78 20.344 20.344 18.001 2.343 18261 13099 1 18 . 1 1 78 78 ALA H H 78 8.550 8.550 8.416 0.134 18261 13100 1 18 . 1 1 79 79 GLU N N 79 117.137 117.137 117.764 -0.627 18261 13101 1 18 . 1 1 79 79 GLU HA H 79 3.919 3.919 4.065 -0.146 18261 13102 1 18 . 1 1 79 79 GLU C C 79 178.894 178.894 177.807 1.087 18261 13103 1 18 . 1 1 79 79 GLU CA C 79 59.445 59.445 58.917 0.527 18261 13104 1 18 . 1 1 79 79 GLU CB C 79 29.895 29.895 29.785 0.110 18261 13105 1 18 . 1 1 79 79 GLU H H 79 7.737 7.737 7.831 -0.094 18261 13106 1 18 . 1 1 80 80 ILE N N 80 118.063 118.063 117.944 0.119 18261 13107 1 18 . 1 1 80 80 ILE HA H 80 3.932 3.932 4.048 -0.116 18261 13108 1 18 . 1 1 80 80 ILE C C 80 179.014 179.014 177.985 1.029 18261 13109 1 18 . 1 1 80 80 ILE CA C 80 63.727 63.727 63.373 0.354 18261 13110 1 18 . 1 1 80 80 ILE CB C 80 38.208 38.208 38.163 0.045 18261 13111 1 18 . 1 1 80 80 ILE H H 80 7.239 7.239 7.147 0.092 18261 13112 1 18 . 1 1 81 81 ALA N N 81 121.494 121.494 122.508 -1.014 18261 13113 1 18 . 1 1 81 81 ALA HA H 81 3.961 3.961 4.361 -0.400 18261 13114 1 18 . 1 1 81 81 ALA C C 81 177.258 177.258 178.346 -1.088 18261 13115 1 18 . 1 1 81 81 ALA CA C 81 54.668 54.668 54.300 0.368 18261 13116 1 18 . 1 1 81 81 ALA CB C 81 17.887 17.887 18.434 -0.547 18261 13117 1 18 . 1 1 81 81 ALA H H 81 8.495 8.495 8.584 -0.089 18261 13118 1 18 . 1 1 82 82 ALA N N 82 116.416 116.416 118.664 -2.248 18261 13119 1 18 . 1 1 82 82 ALA HA H 82 4.316 4.316 4.253 0.063 18261 13120 1 18 . 1 1 82 82 ALA C C 82 177.693 177.693 177.909 -0.216 18261 13121 1 18 . 1 1 82 82 ALA CA C 82 52.630 52.630 53.179 -0.549 18261 13122 1 18 . 1 1 82 82 ALA CB C 82 19.224 19.224 18.737 0.487 18261 13123 1 18 . 1 1 82 82 ALA H H 82 8.034 8.034 7.743 0.291 18261 13124 1 18 . 1 1 83 83 SER N N 83 112.672 112.672 114.277 -1.605 18261 13125 1 18 . 1 1 83 83 SER HA H 83 4.299 4.299 4.447 -0.148 18261 13126 1 18 . 1 1 83 83 SER C C 83 174.856 174.856 174.940 -0.084 18261 13127 1 18 . 1 1 83 83 SER CA C 83 59.329 59.329 57.082 2.247 18261 13128 1 18 . 1 1 83 83 SER CB C 83 63.943 63.943 62.071 1.872 18261 13129 1 18 . 1 1 83 83 SER H H 83 7.437 7.437 7.627 -0.190 18261 13130 1 18 . 1 1 84 84 GLU N N 84 122.890 122.890 127.294 -4.404 18261 13131 1 18 . 1 1 84 84 GLU HA H 84 4.420 4.420 4.099 0.321 18261 13132 1 18 . 1 1 84 84 GLU C C 84 176.597 176.597 177.678 -1.081 18261 13133 1 18 . 1 1 84 84 GLU CA C 84 56.586 56.586 57.890 -1.304 18261 13134 1 18 . 1 1 84 84 GLU CB C 84 30.648 30.648 29.491 1.157 18261 13135 1 18 . 1 1 84 84 GLU H H 84 8.245 8.245 8.059 0.186 18261 13136 1 18 . 1 1 85 85 GLU N N 85 122.062 122.062 121.082 0.980 18261 13137 1 18 . 1 1 85 85 GLU HA H 85 4.285 4.285 4.120 0.165 18261 13138 1 18 . 1 1 85 85 GLU C C 85 177.258 177.258 177.165 0.093 18261 13139 1 18 . 1 1 85 85 GLU CA C 85 57.128 57.128 57.826 -0.698 18261 13140 1 18 . 1 1 85 85 GLU CB C 85 30.121 30.121 29.709 0.412 18261 13141 1 18 . 1 1 85 85 GLU H H 85 8.477 8.477 8.234 0.243 18261 13142 1 18 . 1 1 86 86 GLY N N 86 110.431 110.431 106.712 3.719 18261 13143 1 18 . 1 1 86 86 GLY C C 86 174.856 174.856 174.459 0.397 18261 13144 1 18 . 1 1 86 86 GLY CA C 86 45.654 45.654 44.286 1.368 18261 13145 1 18 . 1 1 86 86 GLY H H 86 8.563 8.563 7.568 0.995 18261 13146 1 18 . 1 1 87 87 GLY N N 87 108.508 108.508 112.933 -4.425 18261 13147 1 18 . 1 1 87 87 GLY C C 87 174.436 174.436 174.220 0.216 18261 13148 1 18 . 1 1 87 87 GLY CA C 87 45.396 45.396 44.740 0.656 18261 13149 1 18 . 1 1 87 87 GLY H H 87 8.274 8.274 8.013 0.261 18261 13150 1 18 . 1 1 88 88 GLY N N 88 107.821 107.821 108.833 -1.012 18261 13151 1 18 . 1 1 88 88 GLY C C 88 173.325 173.325 172.877 0.448 18261 13152 1 18 . 1 1 88 88 GLY CA C 88 44.814 44.814 44.445 0.369 18261 13153 1 18 . 1 1 88 88 GLY H H 88 8.105 8.105 7.627 0.478 18261 13154 1 18 . 1 1 89 89 SER N N 89 115.747 115.747 114.073 1.674 18261 13155 1 18 . 1 1 89 89 SER HA H 89 4.582 4.582 3.987 0.595 18261 13156 1 18 . 1 1 89 89 SER C C 89 175.066 175.066 174.443 0.623 18261 13157 1 18 . 1 1 89 89 SER CA C 89 57.256 57.256 58.149 -0.893 18261 13158 1 18 . 1 1 89 89 SER CB C 89 65.130 65.130 63.385 1.745 18261 13159 1 18 . 1 1 89 89 SER H H 89 8.476 8.476 8.279 0.197 18261 13160 1 18 . 1 1 90 90 LEU N N 90 124.735 124.735 128.929 -4.194 18261 13161 1 18 . 1 1 90 90 LEU HA H 90 4.106 4.106 4.332 -0.226 18261 13162 1 18 . 1 1 90 90 LEU C C 90 179.434 179.434 177.599 1.835 18261 13163 1 18 . 1 1 90 90 LEU CA C 90 58.434 58.434 57.175 1.259 18261 13164 1 18 . 1 1 90 90 LEU CB C 90 41.377 41.377 42.432 -1.055 18261 13165 1 18 . 1 1 90 90 LEU H H 90 8.860 8.860 8.425 0.434 18261 13166 1 18 . 1 1 91 91 SER N N 91 113.851 113.851 113.582 0.269 18261 13167 1 18 . 1 1 91 91 SER C C 91 177.325 177.325 176.242 1.083 18261 13168 1 18 . 1 1 91 91 SER CA C 91 61.261 61.261 61.334 -0.073 18261 13169 1 18 . 1 1 91 91 SER CB C 91 62.010 62.010 62.804 -0.794 18261 13170 1 18 . 1 1 91 91 SER H H 91 8.537 8.537 8.394 0.143 18261 13171 1 18 . 1 1 92 92 THR N N 92 120.889 120.889 116.886 4.003 18261 13172 1 18 . 1 1 92 92 THR HA H 92 3.993 3.993 4.184 -0.191 18261 13173 1 18 . 1 1 92 92 THR C C 92 176.162 176.162 175.859 0.303 18261 13174 1 18 . 1 1 92 92 THR CA C 92 66.467 66.467 65.525 0.942 18261 13175 1 18 . 1 1 92 92 THR CB C 92 68.285 68.285 68.830 -0.545 18261 13176 1 18 . 1 1 92 92 THR H H 92 7.795 7.795 7.640 0.155 18261 13177 1 18 . 1 1 93 93 LYS N N 93 120.210 120.210 121.825 -1.615 18261 13178 1 18 . 1 1 93 93 LYS HA H 93 3.798 3.798 3.906 -0.108 18261 13179 1 18 . 1 1 93 93 LYS CA C 93 61.044 61.044 60.042 1.002 18261 13180 1 18 . 1 1 93 93 LYS CB C 93 33.470 33.470 31.988 1.482 18261 13181 1 18 . 1 1 93 93 LYS H H 93 8.098 8.098 7.482 0.616 18261 13182 1 18 . 1 1 94 94 THR N N 94 111.485 111.485 113.255 -1.770 18261 13183 1 18 . 1 1 94 94 THR HA H 94 3.936 3.936 4.101 -0.165 18261 13184 1 18 . 1 1 94 94 THR C C 94 177.033 177.033 176.921 0.112 18261 13185 1 18 . 1 1 94 94 THR CA C 94 66.974 66.974 66.396 0.578 18261 13186 1 18 . 1 1 94 94 THR CB C 94 68.013 68.013 68.297 -0.284 18261 13187 1 18 . 1 1 94 94 THR H H 94 8.891 8.891 7.881 1.010 18261 13188 1 18 . 1 1 95 95 SER N N 95 118.938 118.938 117.568 1.370 18261 13189 1 18 . 1 1 95 95 SER HA H 95 4.394 4.394 4.319 0.075 18261 13190 1 18 . 1 1 95 95 SER C C 95 177.828 177.828 176.757 1.071 18261 13191 1 18 . 1 1 95 95 SER CA C 95 61.990 61.990 61.291 0.699 18261 13192 1 18 . 1 1 95 95 SER CB C 95 62.580 62.580 62.330 0.250 18261 13193 1 18 . 1 1 95 95 SER H H 95 8.118 8.118 8.140 -0.022 18261 13194 1 18 . 1 1 96 96 SER N N 96 121.520 121.520 119.323 2.197 18261 13195 1 18 . 1 1 96 96 SER HA H 96 4.457 4.457 4.281 0.176 18261 13196 1 18 . 1 1 96 96 SER CA C 96 62.695 62.695 61.645 1.050 18261 13197 1 18 . 1 1 96 96 SER CB C 96 62.796 62.796 63.154 -0.358 18261 13198 1 18 . 1 1 96 96 SER H H 96 8.603 8.603 7.573 1.030 18261 13199 1 18 . 1 1 97 97 ILE N N 97 122.420 122.420 121.808 0.612 18261 13200 1 18 . 1 1 97 97 ILE HA H 97 3.792 3.792 3.784 0.008 18261 13201 1 18 . 1 1 97 97 ILE C C 97 177.693 177.693 177.948 -0.255 18261 13202 1 18 . 1 1 97 97 ILE CA C 97 66.722 66.722 65.513 1.209 18261 13203 1 18 . 1 1 97 97 ILE CB C 97 38.645 38.645 37.987 0.658 18261 13204 1 18 . 1 1 97 97 ILE H H 97 8.516 8.516 8.002 0.514 18261 13205 1 18 . 1 1 98 98 ALA N N 98 122.031 122.031 122.136 -0.105 18261 13206 1 18 . 1 1 98 98 ALA HA H 98 4.063 4.063 4.126 -0.063 18261 13207 1 18 . 1 1 98 98 ALA C C 98 180.740 180.740 179.626 1.114 18261 13208 1 18 . 1 1 98 98 ALA CA C 98 56.158 56.158 55.407 0.751 18261 13209 1 18 . 1 1 98 98 ALA CB C 98 18.347 18.347 18.486 -0.139 18261 13210 1 18 . 1 1 98 98 ALA H H 98 8.437 8.437 7.832 0.605 18261 13211 1 18 . 1 1 99 99 SER N N 99 115.676 115.676 114.853 0.823 18261 13212 1 18 . 1 1 99 99 SER HA H 99 4.369 4.369 4.198 0.171 18261 13213 1 18 . 1 1 99 99 SER C C 99 177.168 177.168 176.706 0.462 18261 13214 1 18 . 1 1 99 99 SER CA C 99 61.959 61.959 61.723 0.236 18261 13215 1 18 . 1 1 99 99 SER CB C 99 63.160 63.160 63.055 0.105 18261 13216 1 18 . 1 1 99 99 SER H H 99 8.611 8.611 7.984 0.627 18261 13217 1 18 . 1 1 100 100 ALA N N 100 124.275 124.275 125.101 -0.826 18261 13218 1 18 . 1 1 100 100 ALA HA H 100 4.243 4.243 3.957 0.286 18261 13219 1 18 . 1 1 100 100 ALA C C 100 181.851 181.851 179.403 2.448 18261 13220 1 18 . 1 1 100 100 ALA CA C 100 55.321 55.321 54.870 0.451 18261 13221 1 18 . 1 1 100 100 ALA CB C 100 18.479 18.479 18.059 0.420 18261 13222 1 18 . 1 1 100 100 ALA H H 100 8.973 8.973 7.707 1.266 18261 13223 1 18 . 1 1 101 101 MET N N 101 118.986 118.986 118.773 0.213 18261 13224 1 18 . 1 1 101 101 MET HA H 101 4.063 4.063 4.228 -0.165 18261 13225 1 18 . 1 1 101 101 MET C C 101 177.483 177.483 178.036 -0.553 18261 13226 1 18 . 1 1 101 101 MET CA C 101 60.999 60.999 59.631 1.368 18261 13227 1 18 . 1 1 101 101 MET CB C 101 34.583 34.583 32.907 1.676 18261 13228 1 18 . 1 1 101 101 MET H H 101 9.072 9.072 8.596 0.476 18261 13229 1 18 . 1 1 102 102 SER N N 102 116.650 116.650 115.140 1.510 18261 13230 1 18 . 1 1 102 102 SER HA H 102 4.370 4.370 4.225 0.145 18261 13231 1 18 . 1 1 102 102 SER C C 102 176.357 176.357 177.160 -0.803 18261 13232 1 18 . 1 1 102 102 SER CA C 102 63.278 63.278 61.823 1.455 18261 13233 1 18 . 1 1 102 102 SER CB C 102 62.523 62.523 62.833 -0.310 18261 13234 1 18 . 1 1 102 102 SER H H 102 8.673 8.673 8.454 0.219 18261 13235 1 18 . 1 1 103 103 ASN N N 103 118.060 118.060 119.999 -1.939 18261 13236 1 18 . 1 1 103 103 ASN HA H 103 4.477 4.477 4.554 -0.077 18261 13237 1 18 . 1 1 103 103 ASN C C 103 176.603 176.603 177.394 -0.791 18261 13238 1 18 . 1 1 103 103 ASN CA C 103 56.564 56.564 55.687 0.877 18261 13239 1 18 . 1 1 103 103 ASN CB C 103 38.362 38.362 38.416 -0.054 18261 13240 1 18 . 1 1 103 103 ASN H H 103 8.098 8.098 8.053 0.045 18261 13241 1 18 . 1 1 104 104 ALA N N 104 122.235 122.235 122.563 -0.328 18261 13242 1 18 . 1 1 104 104 ALA HA H 104 4.255 4.255 4.004 0.251 18261 13243 1 18 . 1 1 104 104 ALA C C 104 181.701 181.701 179.848 1.853 18261 13244 1 18 . 1 1 104 104 ALA CA C 104 54.815 54.815 54.921 -0.106 18261 13245 1 18 . 1 1 104 104 ALA CB C 104 18.177 18.177 18.273 -0.096 18261 13246 1 18 . 1 1 104 104 ALA H H 104 7.919 7.919 8.009 -0.090 18261 13247 1 18 . 1 1 105 105 PHE N N 105 119.159 119.159 120.378 -1.219 18261 13248 1 18 . 1 1 105 105 PHE HA H 105 4.401 4.401 4.611 -0.210 18261 13249 1 18 . 1 1 105 105 PHE C C 105 179.224 179.224 177.480 1.744 18261 13250 1 18 . 1 1 105 105 PHE CA C 105 63.744 63.744 60.779 2.965 18261 13251 1 18 . 1 1 105 105 PHE CB C 105 39.417 39.417 39.870 -0.453 18261 13252 1 18 . 1 1 105 105 PHE H H 105 8.615 8.615 8.468 0.147 18261 13253 1 18 . 1 1 106 106 LEU N N 106 121.765 121.765 119.322 2.443 18261 13254 1 18 . 1 1 106 106 LEU HA H 106 3.741 3.741 4.097 -0.356 18261 13255 1 18 . 1 1 106 106 LEU C C 106 179.074 179.074 178.055 1.019 18261 13256 1 18 . 1 1 106 106 LEU CA C 106 59.086 59.086 57.801 1.285 18261 13257 1 18 . 1 1 106 106 LEU CB C 106 41.265 41.265 41.750 -0.485 18261 13258 1 18 . 1 1 106 106 LEU H H 106 8.259 8.259 7.870 0.389 18261 13259 1 18 . 1 1 107 107 GLN N N 107 114.755 114.755 116.058 -1.303 18261 13260 1 18 . 1 1 107 107 GLN HA H 107 4.189 4.189 4.342 -0.153 18261 13261 1 18 . 1 1 107 107 GLN C C 107 176.822 176.822 177.282 -0.460 18261 13262 1 18 . 1 1 107 107 GLN CA C 107 57.461 57.461 57.340 0.121 18261 13263 1 18 . 1 1 107 107 GLN CB C 107 29.393 29.393 28.578 0.815 18261 13264 1 18 . 1 1 107 107 GLN H H 107 8.176 8.176 7.944 0.232 18261 13265 1 18 . 1 1 108 108 THR N N 108 108.074 108.074 111.030 -2.956 18261 13266 1 18 . 1 1 108 108 THR HA H 108 4.517 4.517 4.361 0.156 18261 13267 1 18 . 1 1 108 108 THR C C 108 175.952 175.952 175.713 0.239 18261 13268 1 18 . 1 1 108 108 THR CA C 108 62.526 62.526 63.950 -1.424 18261 13269 1 18 . 1 1 108 108 THR CB C 108 70.320 70.320 69.793 0.527 18261 13270 1 18 . 1 1 108 108 THR H H 108 7.740 7.740 7.552 0.188 18261 13271 1 18 . 1 1 109 109 THR N N 109 113.029 113.029 110.993 2.036 18261 13272 1 18 . 1 1 109 109 THR HA H 109 4.620 4.620 4.391 0.229 18261 13273 1 18 . 1 1 109 109 THR C C 109 176.162 176.162 175.997 0.165 18261 13274 1 18 . 1 1 109 109 THR CA C 109 62.255 62.255 61.911 0.344 18261 13275 1 18 . 1 1 109 109 THR CB C 109 70.768 70.768 70.805 -0.037 18261 13276 1 18 . 1 1 109 109 THR H H 109 8.869 8.869 7.814 1.055 18261 13277 1 18 . 1 1 110 110 GLY N N 110 109.433 109.433 110.842 -1.409 18261 13278 1 18 . 1 1 110 110 GLY C C 110 172.889 172.889 173.873 -0.984 18261 13279 1 18 . 1 1 110 110 GLY CA C 110 45.555 45.555 45.046 0.509 18261 13280 1 18 . 1 1 110 110 GLY H H 110 8.298 8.298 7.751 0.547 18261 13281 1 18 . 1 1 111 111 VAL N N 111 119.167 119.167 119.804 -0.637 18261 13282 1 18 . 1 1 111 111 VAL HA H 111 4.266 4.266 4.503 -0.237 18261 13283 1 18 . 1 1 111 111 VAL C C 111 174.421 174.421 174.814 -0.393 18261 13284 1 18 . 1 1 111 111 VAL CA C 111 60.783 60.783 60.127 0.656 18261 13285 1 18 . 1 1 111 111 VAL CB C 111 35.394 35.394 35.294 0.100 18261 13286 1 18 . 1 1 111 111 VAL H H 111 7.786 7.786 7.797 -0.011 18261 13287 1 18 . 1 1 112 112 VAL N N 112 124.920 124.920 120.891 4.029 18261 13288 1 18 . 1 1 112 112 VAL HA H 112 3.251 3.251 4.476 -1.225 18261 13289 1 18 . 1 1 112 112 VAL C C 112 174.646 174.646 175.084 -0.438 18261 13290 1 18 . 1 1 112 112 VAL CA C 112 64.409 64.409 60.852 3.557 18261 13291 1 18 . 1 1 112 112 VAL CB C 112 32.626 32.626 33.224 -0.598 18261 13292 1 18 . 1 1 112 112 VAL H H 112 8.721 8.721 8.286 0.435 18261 13293 1 18 . 1 1 113 113 ASN HA H 113 4.505 4.505 4.625 -0.120 18261 13294 1 18 . 1 1 113 113 ASN CA C 113 50.080 50.080 52.719 -2.639 18261 13295 1 18 . 1 1 113 113 ASN CB C 113 36.910 36.910 38.564 -1.654 18261 13296 1 18 . 1 1 114 114 GLN N N 114 123.939 123.939 127.846 -3.907 18261 13297 1 18 . 1 1 114 114 GLN HA H 114 3.944 3.944 4.263 -0.319 18261 13298 1 18 . 1 1 114 114 GLN C C 114 174.811 174.811 175.336 -0.525 18261 13299 1 18 . 1 1 114 114 GLN CA C 114 59.348 59.348 60.080 -0.732 18261 13300 1 18 . 1 1 114 114 GLN CB C 114 26.505 26.505 27.268 -0.763 18261 13301 1 18 . 1 1 114 114 GLN H H 114 8.368 8.368 8.543 -0.175 18261 13302 1 18 . 1 1 115 115 PRO HA H 115 4.243 4.243 4.164 0.079 18261 13303 1 18 . 1 1 115 115 PRO CA C 115 66.602 66.602 65.753 0.849 18261 13304 1 18 . 1 1 115 115 PRO CB C 115 31.215 31.215 31.275 -0.060 18261 13305 1 18 . 1 1 116 116 PHE N N 116 117.612 117.612 116.143 1.469 18261 13306 1 18 . 1 1 116 116 PHE HA H 116 4.209 4.209 4.439 -0.230 18261 13307 1 18 . 1 1 116 116 PHE C C 116 176.597 176.597 178.173 -1.576 18261 13308 1 18 . 1 1 116 116 PHE CA C 116 61.261 61.261 61.491 -0.230 18261 13309 1 18 . 1 1 116 116 PHE CB C 116 39.506 39.506 38.653 0.853 18261 13310 1 18 . 1 1 116 116 PHE H H 116 7.249 7.249 8.409 -1.160 18261 13311 1 18 . 1 1 117 117 ILE N N 117 119.233 119.233 121.268 -2.035 18261 13312 1 18 . 1 1 117 117 ILE HA H 117 3.537 3.537 3.727 -0.190 18261 13313 1 18 . 1 1 117 117 ILE C C 117 178.789 178.789 178.289 0.500 18261 13314 1 18 . 1 1 117 117 ILE CA C 117 65.677 65.677 64.986 0.691 18261 13315 1 18 . 1 1 117 117 ILE CB C 117 38.125 38.125 37.422 0.703 18261 13316 1 18 . 1 1 117 117 ILE H H 117 7.652 7.652 7.693 -0.041 18261 13317 1 18 . 1 1 118 118 ASN N N 118 119.875 119.875 119.240 0.635 18261 13318 1 18 . 1 1 118 118 ASN HA H 118 4.304 4.304 4.452 -0.148 18261 13319 1 18 . 1 1 118 118 ASN C C 118 177.033 177.033 177.972 -0.939 18261 13320 1 18 . 1 1 118 118 ASN CA C 118 55.716 55.716 56.341 -0.625 18261 13321 1 18 . 1 1 118 118 ASN CB C 118 37.423 37.423 37.785 -0.361 18261 13322 1 18 . 1 1 118 118 ASN H H 118 8.975 8.975 8.286 0.689 18261 13323 1 18 . 1 1 119 119 GLU N N 119 121.029 121.029 120.582 0.447 18261 13324 1 18 . 1 1 119 119 GLU HA H 119 4.026 4.026 4.033 -0.007 18261 13325 1 18 . 1 1 119 119 GLU C C 119 178.564 178.564 179.106 -0.542 18261 13326 1 18 . 1 1 119 119 GLU CA C 119 59.426 59.426 59.168 0.258 18261 13327 1 18 . 1 1 119 119 GLU CB C 119 29.646 29.646 29.738 -0.092 18261 13328 1 18 . 1 1 119 119 GLU H H 119 8.120 8.120 7.609 0.511 18261 13329 1 18 . 1 1 120 120 ILE N N 120 117.654 117.654 119.594 -1.940 18261 13330 1 18 . 1 1 120 120 ILE HA H 120 3.734 3.734 3.859 -0.125 18261 13331 1 18 . 1 1 120 120 ILE C C 120 178.279 178.279 178.277 0.002 18261 13332 1 18 . 1 1 120 120 ILE CA C 120 62.756 62.756 65.436 -2.680 18261 13333 1 18 . 1 1 120 120 ILE CB C 120 35.645 35.645 38.104 -2.459 18261 13334 1 18 . 1 1 120 120 ILE H H 120 8.077 8.077 8.637 -0.560 18261 13335 1 18 . 1 1 121 121 THR N N 121 112.585 112.585 113.998 -1.413 18261 13336 1 18 . 1 1 121 121 THR HA H 121 3.753 3.753 3.907 -0.154 18261 13337 1 18 . 1 1 121 121 THR C C 121 177.258 177.258 176.820 0.438 18261 13338 1 18 . 1 1 121 121 THR CA C 121 67.090 67.090 66.308 0.781 18261 13339 1 18 . 1 1 121 121 THR CB C 121 68.254 68.254 68.499 -0.245 18261 13340 1 18 . 1 1 121 121 THR H H 121 8.640 8.640 8.147 0.493 18261 13341 1 18 . 1 1 122 122 GLN N N 122 123.063 123.063 120.800 2.263 18261 13342 1 18 . 1 1 122 122 GLN HA H 122 4.091 4.091 4.084 0.007 18261 13343 1 18 . 1 1 122 122 GLN C C 122 179.014 179.014 178.749 0.265 18261 13344 1 18 . 1 1 122 122 GLN CA C 122 59.192 59.192 58.246 0.946 18261 13345 1 18 . 1 1 122 122 GLN CB C 122 28.020 28.020 28.044 -0.024 18261 13346 1 18 . 1 1 122 122 GLN H H 122 8.111 8.111 7.666 0.445 18261 13347 1 18 . 1 1 123 123 LEU N N 123 120.494 120.494 119.378 1.116 18261 13348 1 18 . 1 1 123 123 LEU HA H 123 3.841 3.841 3.887 -0.046 18261 13349 1 18 . 1 1 123 123 LEU C C 123 178.354 178.354 179.062 -0.708 18261 13350 1 18 . 1 1 123 123 LEU CA C 123 58.005 58.005 57.358 0.647 18261 13351 1 18 . 1 1 123 123 LEU CB C 123 42.580 42.580 41.615 0.965 18261 13352 1 18 . 1 1 123 123 LEU H H 123 8.131 8.131 7.583 0.548 18261 13353 1 18 . 1 1 124 124 VAL N N 124 118.543 118.543 121.516 -2.973 18261 13354 1 18 . 1 1 124 124 VAL HA H 124 3.560 3.560 3.738 -0.178 18261 13355 1 18 . 1 1 124 124 VAL C C 124 177.453 177.453 178.599 -1.146 18261 13356 1 18 . 1 1 124 124 VAL CA C 124 67.297 67.297 66.863 0.434 18261 13357 1 18 . 1 1 124 124 VAL CB C 124 31.526 31.526 31.398 0.128 18261 13358 1 18 . 1 1 124 124 VAL H H 124 8.732 8.732 8.544 0.188 18261 13359 1 18 . 1 1 125 125 SER N N 125 112.449 112.449 113.964 -1.515 18261 13360 1 18 . 1 1 125 125 SER HA H 125 4.044 4.044 4.212 -0.168 18261 13361 1 18 . 1 1 125 125 SER C C 125 175.937 175.937 175.910 0.027 18261 13362 1 18 . 1 1 125 125 SER CA C 125 62.356 62.356 61.363 0.993 18261 13363 1 18 . 1 1 125 125 SER CB C 125 62.890 62.890 63.005 -0.115 18261 13364 1 18 . 1 1 125 125 SER H H 125 7.863 7.863 8.071 -0.208 18261 13365 1 18 . 1 1 126 126 MET N N 126 120.797 120.797 119.831 0.966 18261 13366 1 18 . 1 1 126 126 MET HA H 126 4.051 4.051 4.263 -0.212 18261 13367 1 18 . 1 1 126 126 MET C C 126 179.254 179.254 178.277 0.977 18261 13368 1 18 . 1 1 126 126 MET CA C 126 58.939 58.939 58.656 0.283 18261 13369 1 18 . 1 1 126 126 MET CB C 126 32.625 32.625 32.926 -0.301 18261 13370 1 18 . 1 1 126 126 MET H H 126 8.033 8.033 7.315 0.718 18261 13371 1 18 . 1 1 127 127 PHE N N 127 118.244 118.244 118.128 0.116 18261 13372 1 18 . 1 1 127 127 PHE HA H 127 4.398 4.398 4.339 0.059 18261 13373 1 18 . 1 1 127 127 PHE C C 127 178.128 178.128 178.046 0.082 18261 13374 1 18 . 1 1 127 127 PHE CA C 127 59.991 59.991 59.864 0.127 18261 13375 1 18 . 1 1 127 127 PHE CB C 127 38.584 38.584 37.788 0.796 18261 13376 1 18 . 1 1 127 127 PHE H H 127 8.753 8.753 8.626 0.127 18261 13377 1 18 . 1 1 128 128 ALA N N 128 120.518 120.518 123.065 -2.547 18261 13378 1 18 . 1 1 128 128 ALA HA H 128 4.152 4.152 4.339 -0.187 18261 13379 1 18 . 1 1 128 128 ALA C C 128 178.789 178.789 179.466 -0.677 18261 13380 1 18 . 1 1 128 128 ALA CA C 128 54.570 54.570 54.749 -0.179 18261 13381 1 18 . 1 1 128 128 ALA CB C 128 19.373 19.373 18.261 1.112 18261 13382 1 18 . 1 1 128 128 ALA H H 128 8.681 8.681 7.902 0.779 18261 13383 1 18 . 1 1 129 129 GLN N N 129 115.315 115.315 116.504 -1.189 18261 13384 1 18 . 1 1 129 129 GLN HA H 129 4.197 4.197 4.232 -0.035 18261 13385 1 18 . 1 1 129 129 GLN C C 129 177.258 177.258 176.292 0.966 18261 13386 1 18 . 1 1 129 129 GLN CA C 129 57.519 57.519 57.047 0.472 18261 13387 1 18 . 1 1 129 129 GLN CB C 129 29.271 29.271 28.610 0.661 18261 13388 1 18 . 1 1 129 129 GLN H H 129 7.835 7.835 7.875 -0.040 18261 13389 1 18 . 1 1 130 130 ALA N N 130 121.556 121.556 120.636 0.920 18261 13390 1 18 . 1 1 130 130 ALA HA H 130 4.285 4.285 4.710 -0.425 18261 13391 1 18 . 1 1 130 130 ALA C C 130 178.564 178.564 177.906 0.658 18261 13392 1 18 . 1 1 130 130 ALA CA C 130 53.823 53.823 52.331 1.492 18261 13393 1 18 . 1 1 130 130 ALA CB C 130 19.058 19.058 19.891 -0.833 18261 13394 1 18 . 1 1 130 130 ALA H H 130 7.758 7.758 7.714 0.044 18261 13395 1 18 . 1 1 131 131 GLY N N 131 105.780 105.780 106.521 -0.741 18261 13396 1 18 . 1 1 131 131 GLY C C 131 173.970 173.970 175.329 -1.359 18261 13397 1 18 . 1 1 131 131 GLY CA C 131 45.702 45.702 45.282 0.420 18261 13398 1 18 . 1 1 131 131 GLY H H 131 8.222 8.222 7.812 0.410 18261 13399 1 18 . 1 1 132 132 MET N N 132 118.358 118.358 117.979 0.379 18261 13400 1 18 . 1 1 132 132 MET HA H 132 4.540 4.540 4.297 0.243 18261 13401 1 18 . 1 1 132 132 MET C C 132 175.952 175.952 176.489 -0.537 18261 13402 1 18 . 1 1 132 132 MET CA C 132 55.611 55.611 57.397 -1.786 18261 13403 1 18 . 1 1 132 132 MET CB C 132 33.473 33.473 33.180 0.293 18261 13404 1 18 . 1 1 132 132 MET H H 132 7.763 7.763 7.394 0.369 18261 13405 1 18 . 1 1 133 133 ASN N N 133 119.002 119.002 116.883 2.119 18261 13406 1 18 . 1 1 133 133 ASN HA H 133 4.725 4.725 4.914 -0.189 18261 13407 1 18 . 1 1 133 133 ASN C C 133 174.646 174.646 173.972 0.674 18261 13408 1 18 . 1 1 133 133 ASN CA C 133 53.512 53.512 52.243 1.269 18261 13409 1 18 . 1 1 133 133 ASN CB C 133 39.301 39.301 41.235 -1.934 18261 13410 1 18 . 1 1 133 133 ASN H H 133 8.289 8.289 7.676 0.613 18261 13411 1 18 . 1 1 134 134 ASP N N 134 120.907 120.907 122.483 -1.576 18261 13412 1 18 . 1 1 134 134 ASP HA H 134 4.659 4.659 4.613 0.046 18261 13413 1 18 . 1 1 134 134 ASP C C 134 176.162 176.162 175.367 0.795 18261 13414 1 18 . 1 1 134 134 ASP CA C 134 54.379 54.379 55.213 -0.834 18261 13415 1 18 . 1 1 134 134 ASP CB C 134 41.291 41.291 40.093 1.198 18261 13416 1 18 . 1 1 134 134 ASP H H 134 8.364 8.364 8.694 -0.330 18261 13417 1 18 . 1 1 135 135 VAL N N 135 119.971 119.971 123.309 -3.338 18261 13418 1 18 . 1 1 135 135 VAL HA H 135 4.214 4.214 4.206 0.008 18261 13419 1 18 . 1 1 135 135 VAL C C 135 176.162 176.162 175.480 0.682 18261 13420 1 18 . 1 1 135 135 VAL CA C 135 62.157 62.157 62.877 -0.720 18261 13421 1 18 . 1 1 135 135 VAL CB C 135 32.644 32.644 32.852 -0.208 18261 13422 1 18 . 1 1 135 135 VAL H H 135 8.118 8.118 8.016 0.102 18261 13423 1 18 . 1 1 136 136 SER N N 136 119.918 119.918 117.610 2.308 18261 13424 1 18 . 1 1 136 136 SER HA H 136 4.462 4.462 4.571 -0.109 18261 13425 1 18 . 1 1 136 136 SER C C 136 173.325 173.325 174.883 -1.558 18261 13426 1 18 . 1 1 136 136 SER CA C 136 58.342 58.342 58.367 -0.025 18261 13427 1 18 . 1 1 136 136 SER CB C 136 64.041 64.041 63.124 0.917 18261 13428 1 18 . 1 1 136 136 SER H H 136 8.410 8.410 8.274 0.136 18261 13429 1 19 . 1 1 3 3 GLY CA C 3 45.200 45.200 45.029 0.172 18261 13430 1 19 . 1 1 4 4 ASN N N 4 124.083 124.083 123.643 0.440 18261 13431 1 19 . 1 1 4 4 ASN HA H 4 4.530 4.530 4.701 -0.171 18261 13432 1 19 . 1 1 4 4 ASN C C 4 179.449 179.449 175.039 4.410 18261 13433 1 19 . 1 1 4 4 ASN CA C 4 54.803 54.803 54.205 0.598 18261 13434 1 19 . 1 1 4 4 ASN CB C 4 41.106 41.106 39.248 1.858 18261 13435 1 19 . 1 1 4 4 ASN H H 4 7.981 7.981 8.270 -0.289 18261 13436 1 19 . 1 1 6 6 HIS HA H 6 4.693 4.693 4.462 0.231 18261 13437 1 19 . 1 1 6 6 HIS CA C 6 56.115 56.115 56.250 -0.135 18261 13438 1 19 . 1 1 6 6 HIS CB C 6 31.011 31.011 30.206 0.805 18261 13439 1 19 . 1 1 7 7 THR N N 7 115.238 115.238 119.554 -4.316 18261 13440 1 19 . 1 1 7 7 THR HA H 7 4.318 4.318 4.041 0.277 18261 13441 1 19 . 1 1 7 7 THR C C 7 173.970 173.970 173.650 0.320 18261 13442 1 19 . 1 1 7 7 THR CA C 7 62.099 62.099 62.439 -0.340 18261 13443 1 19 . 1 1 7 7 THR CB C 7 69.779 69.779 69.478 0.301 18261 13444 1 19 . 1 1 7 7 THR H H 7 8.120 8.120 8.246 -0.126 18261 13445 1 19 . 1 1 8 8 THR N N 8 115.713 115.713 122.379 -6.666 18261 13446 1 19 . 1 1 8 8 THR HA H 8 4.146 4.146 3.884 0.262 18261 13447 1 19 . 1 1 8 8 THR C C 8 172.664 172.664 173.744 -1.080 18261 13448 1 19 . 1 1 8 8 THR CA C 8 58.349 58.349 58.240 0.109 18261 13449 1 19 . 1 1 8 8 THR CB C 8 69.219 69.219 69.743 -0.523 18261 13450 1 19 . 1 1 8 8 THR H H 8 7.977 7.977 7.880 0.097 18261 13451 1 19 . 1 1 9 9 PRO HA H 9 3.939 3.939 3.989 -0.050 18261 13452 1 19 . 1 1 9 9 PRO CA C 9 62.965 62.965 64.422 -1.458 18261 13453 1 19 . 1 1 9 9 PRO CB C 9 30.610 30.610 30.790 -0.180 18261 13454 1 19 . 1 1 10 10 TRP N N 10 111.487 111.487 115.107 -3.620 18261 13455 1 19 . 1 1 10 10 TRP HA H 10 4.899 4.899 4.507 0.392 18261 13456 1 19 . 1 1 10 10 TRP C C 10 175.817 175.817 176.646 -0.829 18261 13457 1 19 . 1 1 10 10 TRP CA C 10 54.292 54.292 55.659 -1.367 18261 13458 1 19 . 1 1 10 10 TRP CB C 10 31.219 31.219 28.547 2.672 18261 13459 1 19 . 1 1 10 10 TRP H H 10 6.681 6.681 7.116 -0.435 18261 13460 1 19 . 1 1 11 11 THR N N 11 106.120 106.120 113.652 -7.532 18261 13461 1 19 . 1 1 11 11 THR HA H 11 3.905 3.905 4.073 -0.168 18261 13462 1 19 . 1 1 11 11 THR C C 11 173.970 173.970 175.218 -1.248 18261 13463 1 19 . 1 1 11 11 THR CA C 11 63.937 63.937 63.850 0.087 18261 13464 1 19 . 1 1 11 11 THR CB C 11 69.242 69.242 69.009 0.233 18261 13465 1 19 . 1 1 11 11 THR H H 11 7.189 7.189 7.475 -0.286 18261 13466 1 19 . 1 1 12 12 ASN N N 12 116.403 116.403 119.814 -3.411 18261 13467 1 19 . 1 1 12 12 ASN HA H 12 5.115 5.115 5.125 -0.010 18261 13468 1 19 . 1 1 12 12 ASN C C 12 172.889 172.889 174.354 -1.465 18261 13469 1 19 . 1 1 12 12 ASN CA C 12 51.276 51.276 50.855 0.421 18261 13470 1 19 . 1 1 12 12 ASN CB C 12 40.474 40.474 38.148 2.326 18261 13471 1 19 . 1 1 12 12 ASN H H 12 7.282 7.282 8.064 -0.782 18261 13472 1 19 . 1 1 13 13 PRO HA H 13 4.210 4.210 4.233 -0.023 18261 13473 1 19 . 1 1 13 13 PRO CA C 13 65.516 65.516 66.459 -0.943 18261 13474 1 19 . 1 1 13 13 PRO CB C 13 32.418 32.418 31.864 0.553 18261 13475 1 19 . 1 1 14 14 GLY N N 14 108.796 108.796 106.062 2.734 18261 13476 1 19 . 1 1 14 14 GLY C C 14 175.952 175.952 176.605 -0.653 18261 13477 1 19 . 1 1 14 14 GLY CA C 14 47.073 47.073 46.929 0.144 18261 13478 1 19 . 1 1 14 14 GLY H H 14 8.363 8.363 8.584 -0.221 18261 13479 1 19 . 1 1 15 15 LEU N N 15 124.473 124.473 123.745 0.728 18261 13480 1 19 . 1 1 15 15 LEU HA H 15 4.335 4.335 4.176 0.159 18261 13481 1 19 . 1 1 15 15 LEU C C 15 178.564 178.564 178.622 -0.058 18261 13482 1 19 . 1 1 15 15 LEU CA C 15 57.402 57.402 57.423 -0.021 18261 13483 1 19 . 1 1 15 15 LEU CB C 15 41.600 41.600 41.262 0.338 18261 13484 1 19 . 1 1 15 15 LEU H H 15 7.890 7.890 7.163 0.727 18261 13485 1 19 . 1 1 16 16 ALA N N 16 121.371 121.371 121.774 -0.403 18261 13486 1 19 . 1 1 16 16 ALA HA H 16 4.000 4.000 4.061 -0.061 18261 13487 1 19 . 1 1 16 16 ALA C C 16 179.104 179.104 179.834 -0.730 18261 13488 1 19 . 1 1 16 16 ALA CA C 16 56.360 56.360 55.221 1.139 18261 13489 1 19 . 1 1 16 16 ALA CB C 16 19.351 19.351 18.309 1.042 18261 13490 1 19 . 1 1 16 16 ALA H H 16 8.429 8.429 8.349 0.080 18261 13491 1 19 . 1 1 17 17 GLU N N 17 117.199 117.199 118.725 -1.526 18261 13492 1 19 . 1 1 17 17 GLU HA H 17 3.964 3.964 3.948 0.016 18261 13493 1 19 . 1 1 17 17 GLU C C 17 177.993 177.993 178.872 -0.879 18261 13494 1 19 . 1 1 17 17 GLU CA C 17 59.543 59.543 59.754 -0.211 18261 13495 1 19 . 1 1 17 17 GLU CB C 17 29.932 29.932 29.758 0.174 18261 13496 1 19 . 1 1 17 17 GLU H H 17 8.030 8.030 8.485 -0.455 18261 13497 1 19 . 1 1 18 18 ASN N N 18 118.433 118.433 118.178 0.255 18261 13498 1 19 . 1 1 18 18 ASN HA H 18 4.546 4.546 4.525 0.021 18261 13499 1 19 . 1 1 18 18 ASN C C 18 178.347 178.347 177.659 0.688 18261 13500 1 19 . 1 1 18 18 ASN CA C 18 56.226 56.226 55.779 0.447 18261 13501 1 19 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.244 -0.120 18261 13502 1 19 . 1 1 18 18 ASN H H 18 8.075 8.075 7.878 0.197 18261 13503 1 19 . 1 1 19 19 PHE N N 19 122.078 122.078 123.678 -1.600 18261 13504 1 19 . 1 1 19 19 PHE HA H 19 3.881 3.881 4.115 -0.234 18261 13505 1 19 . 1 1 19 19 PHE C C 19 176.837 176.837 177.223 -0.386 18261 13506 1 19 . 1 1 19 19 PHE CA C 19 62.230 62.230 62.123 0.107 18261 13507 1 19 . 1 1 19 19 PHE CB C 19 39.450 39.450 39.020 0.430 18261 13508 1 19 . 1 1 19 19 PHE H H 19 9.623 9.623 8.640 0.983 18261 13509 1 19 . 1 1 20 20 MET N N 20 118.264 118.264 117.417 0.847 18261 13510 1 19 . 1 1 20 20 MET HA H 20 4.424 4.424 3.983 0.441 18261 13511 1 19 . 1 1 20 20 MET C C 20 178.924 178.924 178.335 0.589 18261 13512 1 19 . 1 1 20 20 MET CA C 20 57.480 57.480 58.179 -0.699 18261 13513 1 19 . 1 1 20 20 MET CB C 20 31.929 31.929 31.679 0.250 18261 13514 1 19 . 1 1 20 20 MET H H 20 8.865 8.865 8.540 0.325 18261 13515 1 19 . 1 1 21 21 ASN N N 21 118.455 118.455 118.620 -0.165 18261 13516 1 19 . 1 1 21 21 ASN HA H 21 4.542 4.542 4.418 0.124 18261 13517 1 19 . 1 1 21 21 ASN C C 21 178.249 178.249 177.831 0.418 18261 13518 1 19 . 1 1 21 21 ASN CA C 21 56.305 56.305 56.501 -0.196 18261 13519 1 19 . 1 1 21 21 ASN CB C 21 37.916 37.916 38.184 -0.268 18261 13520 1 19 . 1 1 21 21 ASN H H 21 8.453 8.453 8.104 0.349 18261 13521 1 19 . 1 1 22 22 SER N N 22 116.036 116.036 116.076 -0.040 18261 13522 1 19 . 1 1 22 22 SER HA H 22 4.196 4.196 4.196 -0.000 18261 13523 1 19 . 1 1 22 22 SER C C 22 178.143 178.143 176.503 1.640 18261 13524 1 19 . 1 1 22 22 SER CA C 22 62.256 62.256 61.552 0.704 18261 13525 1 19 . 1 1 22 22 SER CB C 22 62.870 62.870 63.166 -0.296 18261 13526 1 19 . 1 1 22 22 SER H H 22 7.959 7.959 8.286 -0.327 18261 13527 1 19 . 1 1 23 23 PHE N N 23 124.987 124.987 124.634 0.353 18261 13528 1 19 . 1 1 23 23 PHE HA H 23 4.005 4.005 4.041 -0.036 18261 13529 1 19 . 1 1 23 23 PHE C C 23 175.652 175.652 177.083 -1.431 18261 13530 1 19 . 1 1 23 23 PHE CA C 23 60.525 60.525 61.378 -0.853 18261 13531 1 19 . 1 1 23 23 PHE CB C 23 38.899 38.899 39.139 -0.240 18261 13532 1 19 . 1 1 23 23 PHE H H 23 9.045 9.045 8.264 0.781 18261 13533 1 19 . 1 1 24 24 MET N N 24 117.260 117.260 116.178 1.082 18261 13534 1 19 . 1 1 24 24 MET HA H 24 4.040 4.040 4.002 0.038 18261 13535 1 19 . 1 1 24 24 MET C C 24 179.797 179.797 178.728 1.069 18261 13536 1 19 . 1 1 24 24 MET CA C 24 56.047 56.047 56.312 -0.265 18261 13537 1 19 . 1 1 24 24 MET CB C 24 30.308 30.308 30.877 -0.568 18261 13538 1 19 . 1 1 24 24 MET H H 24 8.302 8.302 8.248 0.054 18261 13539 1 19 . 1 1 25 25 GLN N N 25 120.167 120.167 118.119 2.048 18261 13540 1 19 . 1 1 25 25 GLN HA H 25 3.985 3.985 4.085 -0.100 18261 13541 1 19 . 1 1 25 25 GLN C C 25 179.870 179.870 178.521 1.349 18261 13542 1 19 . 1 1 25 25 GLN CA C 25 59.136 59.136 58.383 0.753 18261 13543 1 19 . 1 1 25 25 GLN CB C 25 28.234 28.234 28.314 -0.080 18261 13544 1 19 . 1 1 25 25 GLN H H 25 8.038 8.038 7.816 0.222 18261 13545 1 19 . 1 1 26 26 GLY N N 26 107.636 107.636 106.233 1.403 18261 13546 1 19 . 1 1 26 26 GLY C C 26 176.387 176.387 175.634 0.753 18261 13547 1 19 . 1 1 26 26 GLY CA C 26 46.911 46.911 45.372 1.539 18261 13548 1 19 . 1 1 26 26 GLY H H 26 8.095 8.095 7.665 0.430 18261 13549 1 19 . 1 1 27 27 LEU N N 27 122.877 122.877 124.032 -1.155 18261 13550 1 19 . 1 1 27 27 LEU HA H 27 3.783 3.783 4.011 -0.228 18261 13551 1 19 . 1 1 27 27 LEU C C 27 178.564 178.564 178.544 0.020 18261 13552 1 19 . 1 1 27 27 LEU CA C 27 57.262 57.262 57.089 0.173 18261 13553 1 19 . 1 1 27 27 LEU CB C 27 42.076 42.076 42.036 0.040 18261 13554 1 19 . 1 1 27 27 LEU H H 27 8.369 8.369 7.895 0.474 18261 13555 1 19 . 1 1 28 28 SER N N 28 109.474 109.474 112.569 -3.095 18261 13556 1 19 . 1 1 28 28 SER HA H 28 4.138 4.138 4.296 -0.158 18261 13557 1 19 . 1 1 28 28 SER C C 28 174.421 174.421 175.563 -1.142 18261 13558 1 19 . 1 1 28 28 SER CA C 28 61.153 61.153 60.446 0.707 18261 13559 1 19 . 1 1 28 28 SER CB C 28 63.320 63.320 63.164 0.156 18261 13560 1 19 . 1 1 28 28 SER H H 28 7.527 7.527 7.856 -0.329 18261 13561 1 19 . 1 1 29 29 SER N N 29 114.550 114.550 116.222 -1.672 18261 13562 1 19 . 1 1 29 29 SER HA H 29 4.734 4.734 4.540 0.194 18261 13563 1 19 . 1 1 29 29 SER C C 29 173.970 173.970 174.107 -0.137 18261 13564 1 19 . 1 1 29 29 SER CA C 29 57.927 57.927 58.859 -0.932 18261 13565 1 19 . 1 1 29 29 SER CB C 29 64.500 64.500 63.925 0.575 18261 13566 1 19 . 1 1 29 29 SER H H 29 7.449 7.449 7.644 -0.195 18261 13567 1 19 . 1 1 30 30 MET N N 30 122.420 122.420 122.844 -0.424 18261 13568 1 19 . 1 1 30 30 MET HA H 30 4.952 4.952 4.788 0.164 18261 13569 1 19 . 1 1 30 30 MET C C 30 174.195 174.195 174.194 0.001 18261 13570 1 19 . 1 1 30 30 MET CA C 30 53.638 53.638 53.246 0.392 18261 13571 1 19 . 1 1 30 30 MET CB C 30 32.305 32.305 32.734 -0.429 18261 13572 1 19 . 1 1 30 30 MET H H 30 7.674 7.674 7.683 -0.009 18261 13573 1 19 . 1 1 31 31 PRO HA H 31 4.669 4.669 4.496 0.173 18261 13574 1 19 . 1 1 31 31 PRO CA C 31 62.880 62.880 62.984 -0.104 18261 13575 1 19 . 1 1 31 31 PRO CB C 31 32.742 32.742 32.061 0.681 18261 13576 1 19 . 1 1 32 32 GLY N N 32 106.222 106.222 110.175 -3.953 18261 13577 1 19 . 1 1 32 32 GLY C C 32 172.454 172.454 173.696 -1.242 18261 13578 1 19 . 1 1 32 32 GLY CA C 32 45.608 45.608 45.177 0.431 18261 13579 1 19 . 1 1 32 32 GLY H H 32 8.415 8.415 8.476 -0.061 18261 13580 1 19 . 1 1 33 33 PHE N N 33 116.404 116.404 121.690 -5.286 18261 13581 1 19 . 1 1 33 33 PHE HA H 33 5.167 5.167 4.806 0.361 18261 13582 1 19 . 1 1 33 33 PHE C C 33 176.387 176.387 175.784 0.603 18261 13583 1 19 . 1 1 33 33 PHE CA C 33 56.750 56.750 58.151 -1.401 18261 13584 1 19 . 1 1 33 33 PHE CB C 33 42.080 42.080 40.120 1.960 18261 13585 1 19 . 1 1 33 33 PHE H H 33 7.871 7.871 8.014 -0.143 18261 13586 1 19 . 1 1 34 34 THR N N 34 113.684 113.684 116.168 -2.484 18261 13587 1 19 . 1 1 34 34 THR HA H 34 4.545 4.545 4.568 -0.023 18261 13588 1 19 . 1 1 34 34 THR C C 34 175.066 175.066 175.897 -0.831 18261 13589 1 19 . 1 1 34 34 THR CA C 34 60.339 60.339 59.589 0.750 18261 13590 1 19 . 1 1 34 34 THR CB C 34 70.381 70.381 70.890 -0.509 18261 13591 1 19 . 1 1 34 34 THR H H 34 8.899 8.899 8.202 0.697 18261 13592 1 19 . 1 1 35 35 ALA N N 35 122.927 122.927 125.959 -3.032 18261 13593 1 19 . 1 1 35 35 ALA HA H 35 4.092 4.092 4.079 0.013 18261 13594 1 19 . 1 1 35 35 ALA C C 35 180.755 180.755 179.508 1.247 18261 13595 1 19 . 1 1 35 35 ALA CA C 35 55.827 55.827 55.094 0.733 18261 13596 1 19 . 1 1 35 35 ALA CB C 35 18.098 18.098 18.706 -0.608 18261 13597 1 19 . 1 1 35 35 ALA H H 35 8.864 8.864 8.778 0.086 18261 13598 1 19 . 1 1 36 36 SER N N 36 112.708 112.708 113.760 -1.052 18261 13599 1 19 . 1 1 36 36 SER HA H 36 4.276 4.276 4.126 0.150 18261 13600 1 19 . 1 1 36 36 SER C C 36 177.033 177.033 176.859 0.174 18261 13601 1 19 . 1 1 36 36 SER CA C 36 61.403 61.403 61.828 -0.425 18261 13602 1 19 . 1 1 36 36 SER CB C 36 62.371 62.371 62.797 -0.427 18261 13603 1 19 . 1 1 36 36 SER H H 36 8.389 8.389 8.010 0.379 18261 13604 1 19 . 1 1 37 37 GLN N N 37 121.595 121.595 120.805 0.790 18261 13605 1 19 . 1 1 37 37 GLN HA H 37 4.272 4.272 4.222 0.050 18261 13606 1 19 . 1 1 37 37 GLN C C 37 179.149 179.149 178.610 0.539 18261 13607 1 19 . 1 1 37 37 GLN CA C 37 58.638 58.638 57.787 0.851 18261 13608 1 19 . 1 1 37 37 GLN CB C 37 29.123 29.123 28.242 0.881 18261 13609 1 19 . 1 1 37 37 GLN H H 37 7.621 7.621 7.688 -0.067 18261 13610 1 19 . 1 1 38 38 LEU N N 38 119.852 119.852 121.319 -1.467 18261 13611 1 19 . 1 1 38 38 LEU HA H 38 3.838 3.838 3.931 -0.093 18261 13612 1 19 . 1 1 38 38 LEU C C 38 179.675 179.675 179.007 0.668 18261 13613 1 19 . 1 1 38 38 LEU CA C 38 57.929 57.929 58.648 -0.719 18261 13614 1 19 . 1 1 38 38 LEU CB C 38 40.918 40.918 41.476 -0.558 18261 13615 1 19 . 1 1 38 38 LEU H H 38 8.341 8.341 8.075 0.266 18261 13616 1 19 . 1 1 39 39 ASP N N 39 122.065 122.065 119.708 2.357 18261 13617 1 19 . 1 1 39 39 ASP HA H 39 4.439 4.439 4.302 0.137 18261 13618 1 19 . 1 1 39 39 ASP C C 39 179.224 179.224 178.430 0.794 18261 13619 1 19 . 1 1 39 39 ASP CA C 39 57.710 57.710 57.970 -0.260 18261 13620 1 19 . 1 1 39 39 ASP CB C 39 40.245 40.245 40.761 -0.517 18261 13621 1 19 . 1 1 39 39 ASP H H 39 7.955 7.955 8.086 -0.131 18261 13622 1 19 . 1 1 40 40 ASP N N 40 121.957 121.957 120.314 1.643 18261 13623 1 19 . 1 1 40 40 ASP HA H 40 4.483 4.483 4.381 0.102 18261 13624 1 19 . 1 1 40 40 ASP C C 40 179.600 179.600 178.492 1.108 18261 13625 1 19 . 1 1 40 40 ASP CA C 40 57.745 57.745 58.110 -0.365 18261 13626 1 19 . 1 1 40 40 ASP CB C 40 40.190 40.190 40.957 -0.767 18261 13627 1 19 . 1 1 40 40 ASP H H 40 8.022 8.022 7.878 0.144 18261 13628 1 19 . 1 1 41 41 MET N N 41 121.160 121.160 119.542 1.618 18261 13629 1 19 . 1 1 41 41 MET HA H 41 4.204 4.204 4.049 0.155 18261 13630 1 19 . 1 1 41 41 MET C C 41 177.693 177.693 177.885 -0.192 18261 13631 1 19 . 1 1 41 41 MET CA C 41 57.634 57.634 58.956 -1.322 18261 13632 1 19 . 1 1 41 41 MET CB C 41 31.422 31.422 32.754 -1.332 18261 13633 1 19 . 1 1 41 41 MET H H 41 8.668 8.668 8.303 0.365 18261 13634 1 19 . 1 1 42 42 SER N N 42 116.421 116.421 114.749 1.672 18261 13635 1 19 . 1 1 42 42 SER HA H 42 4.304 4.304 4.122 0.182 18261 13636 1 19 . 1 1 42 42 SER C C 42 177.483 177.483 176.654 0.829 18261 13637 1 19 . 1 1 42 42 SER CA C 42 62.075 62.075 61.594 0.481 18261 13638 1 19 . 1 1 42 42 SER CB C 42 62.765 62.765 62.979 -0.214 18261 13639 1 19 . 1 1 42 42 SER H H 42 8.375 8.375 8.575 -0.200 18261 13640 1 19 . 1 1 43 43 THR N N 43 118.797 118.797 118.742 0.055 18261 13641 1 19 . 1 1 43 43 THR HA H 43 4.042 4.042 4.028 0.014 18261 13642 1 19 . 1 1 43 43 THR C C 43 177.258 177.258 176.866 0.392 18261 13643 1 19 . 1 1 43 43 THR CA C 43 66.584 66.584 66.502 0.082 18261 13644 1 19 . 1 1 43 43 THR CB C 43 68.490 68.490 68.570 -0.080 18261 13645 1 19 . 1 1 43 43 THR H H 43 7.928 7.928 7.688 0.240 18261 13646 1 19 . 1 1 44 44 ILE N N 44 122.960 122.960 121.067 1.893 18261 13647 1 19 . 1 1 44 44 ILE HA H 44 3.930 3.930 3.796 0.134 18261 13648 1 19 . 1 1 44 44 ILE C C 44 178.564 178.564 177.757 0.807 18261 13649 1 19 . 1 1 44 44 ILE CA C 44 64.483 64.483 62.864 1.619 18261 13650 1 19 . 1 1 44 44 ILE CB C 44 38.015 38.015 36.270 1.745 18261 13651 1 19 . 1 1 44 44 ILE H H 44 7.863 7.863 8.145 -0.282 18261 13652 1 19 . 1 1 45 45 ALA N N 45 124.792 124.792 122.643 2.149 18261 13653 1 19 . 1 1 45 45 ALA HA H 45 4.122 4.122 3.914 0.208 18261 13654 1 19 . 1 1 45 45 ALA C C 45 179.404 179.404 179.873 -0.469 18261 13655 1 19 . 1 1 45 45 ALA CA C 45 56.009 56.009 55.529 0.479 18261 13656 1 19 . 1 1 45 45 ALA CB C 45 18.908 18.908 18.075 0.833 18261 13657 1 19 . 1 1 45 45 ALA H H 45 8.853 8.853 8.483 0.370 18261 13658 1 19 . 1 1 46 46 GLN N N 46 116.307 116.307 117.716 -1.409 18261 13659 1 19 . 1 1 46 46 GLN HA H 46 4.068 4.068 3.999 0.069 18261 13660 1 19 . 1 1 46 46 GLN C C 46 179.014 179.014 178.634 0.380 18261 13661 1 19 . 1 1 46 46 GLN CA C 46 58.903 58.903 58.116 0.787 18261 13662 1 19 . 1 1 46 46 GLN CB C 46 28.250 28.250 27.865 0.385 18261 13663 1 19 . 1 1 46 46 GLN H H 46 8.238 8.238 8.148 0.090 18261 13664 1 19 . 1 1 47 47 SER N N 47 115.959 115.959 115.781 0.178 18261 13665 1 19 . 1 1 47 47 SER HA H 47 4.261 4.261 4.180 0.081 18261 13666 1 19 . 1 1 47 47 SER C C 47 177.483 177.483 176.722 0.761 18261 13667 1 19 . 1 1 47 47 SER CA C 47 61.526 61.526 61.488 0.038 18261 13668 1 19 . 1 1 47 47 SER CB C 47 62.842 62.842 62.941 -0.099 18261 13669 1 19 . 1 1 47 47 SER H H 47 8.223 8.223 7.633 0.590 18261 13670 1 19 . 1 1 48 48 MET N N 48 121.963 121.963 120.948 1.015 18261 13671 1 19 . 1 1 48 48 MET HA H 48 4.110 4.110 4.002 0.108 18261 13672 1 19 . 1 1 48 48 MET C C 48 177.798 177.798 178.296 -0.498 18261 13673 1 19 . 1 1 48 48 MET CA C 48 57.531 57.531 57.903 -0.372 18261 13674 1 19 . 1 1 48 48 MET CB C 48 31.169 31.169 31.472 -0.303 18261 13675 1 19 . 1 1 48 48 MET H H 48 8.245 8.245 8.079 0.166 18261 13676 1 19 . 1 1 49 49 VAL N N 49 119.045 119.045 118.923 0.122 18261 13677 1 19 . 1 1 49 49 VAL HA H 49 3.300 3.300 3.573 -0.273 18261 13678 1 19 . 1 1 49 49 VAL C C 49 177.910 177.910 178.381 -0.471 18261 13679 1 19 . 1 1 49 49 VAL CA C 49 67.811 67.811 66.664 1.147 18261 13680 1 19 . 1 1 49 49 VAL CB C 49 31.370 31.370 30.340 1.030 18261 13681 1 19 . 1 1 49 49 VAL H H 49 7.809 7.809 8.313 -0.504 18261 13682 1 19 . 1 1 50 50 GLN N N 50 118.357 118.357 118.200 0.157 18261 13683 1 19 . 1 1 50 50 GLN HA H 50 4.091 4.091 3.950 0.141 18261 13684 1 19 . 1 1 50 50 GLN C C 50 179.449 179.449 178.604 0.845 18261 13685 1 19 . 1 1 50 50 GLN CA C 50 59.056 59.056 58.228 0.828 18261 13686 1 19 . 1 1 50 50 GLN CB C 50 28.020 28.020 27.628 0.392 18261 13687 1 19 . 1 1 50 50 GLN H H 50 8.225 8.225 8.434 -0.209 18261 13688 1 19 . 1 1 51 51 SER N N 51 117.253 117.253 116.381 0.872 18261 13689 1 19 . 1 1 51 51 SER HA H 51 4.235 4.235 4.147 0.088 18261 13690 1 19 . 1 1 51 51 SER C C 51 176.374 176.374 176.703 -0.329 18261 13691 1 19 . 1 1 51 51 SER CA C 51 62.752 62.752 61.570 1.182 18261 13692 1 19 . 1 1 51 51 SER CB C 51 62.963 62.963 62.703 0.260 18261 13693 1 19 . 1 1 51 51 SER H H 51 8.328 8.328 7.838 0.490 18261 13694 1 19 . 1 1 52 52 ILE N N 52 123.114 123.114 122.549 0.565 18261 13695 1 19 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.609 -0.010 18261 13696 1 19 . 1 1 52 52 ILE C C 52 178.684 178.684 177.896 0.788 18261 13697 1 19 . 1 1 52 52 ILE CA C 52 64.736 64.736 65.368 -0.632 18261 13698 1 19 . 1 1 52 52 ILE CB C 52 37.838 37.838 37.620 0.218 18261 13699 1 19 . 1 1 52 52 ILE H H 52 8.147 8.147 7.929 0.218 18261 13700 1 19 . 1 1 53 53 GLN N N 53 120.011 120.011 119.101 0.910 18261 13701 1 19 . 1 1 53 53 GLN HA H 53 3.946 3.946 3.944 0.002 18261 13702 1 19 . 1 1 53 53 GLN C C 53 179.014 179.014 178.915 0.099 18261 13703 1 19 . 1 1 53 53 GLN CA C 53 59.501 59.501 59.047 0.454 18261 13704 1 19 . 1 1 53 53 GLN CB C 53 27.901 27.901 28.007 -0.106 18261 13705 1 19 . 1 1 53 53 GLN H H 53 8.583 8.583 8.619 -0.036 18261 13706 1 19 . 1 1 54 54 SER N N 54 115.479 115.479 116.633 -1.154 18261 13707 1 19 . 1 1 54 54 SER HA H 54 4.302 4.302 4.177 0.125 18261 13708 1 19 . 1 1 54 54 SER C C 54 176.822 176.822 176.663 0.159 18261 13709 1 19 . 1 1 54 54 SER CA C 54 61.492 61.492 62.070 -0.578 18261 13710 1 19 . 1 1 54 54 SER CB C 54 62.880 62.880 62.888 -0.008 18261 13711 1 19 . 1 1 54 54 SER H H 54 8.271 8.271 7.846 0.425 18261 13712 1 19 . 1 1 55 55 LEU N N 55 121.519 121.519 121.664 -0.145 18261 13713 1 19 . 1 1 55 55 LEU HA H 55 4.068 4.068 3.944 0.124 18261 13714 1 19 . 1 1 55 55 LEU C C 55 179.434 179.434 178.607 0.827 18261 13715 1 19 . 1 1 55 55 LEU CA C 55 57.793 57.793 58.147 -0.354 18261 13716 1 19 . 1 1 55 55 LEU CB C 55 42.245 42.245 41.506 0.739 18261 13717 1 19 . 1 1 55 55 LEU H H 55 7.974 7.974 8.421 -0.447 18261 13718 1 19 . 1 1 56 56 ALA N N 56 121.040 121.040 119.614 1.426 18261 13719 1 19 . 1 1 56 56 ALA HA H 56 4.228 4.228 4.272 -0.044 18261 13720 1 19 . 1 1 56 56 ALA C C 56 180.530 180.530 178.709 1.821 18261 13721 1 19 . 1 1 56 56 ALA CA C 56 54.331 54.331 54.100 0.231 18261 13722 1 19 . 1 1 56 56 ALA CB C 56 18.075 18.075 18.557 -0.482 18261 13723 1 19 . 1 1 56 56 ALA H H 56 8.032 8.032 8.173 -0.141 18261 13724 1 19 . 1 1 57 57 ALA N N 57 121.325 121.325 120.564 0.761 18261 13725 1 19 . 1 1 57 57 ALA HA H 57 4.219 4.219 4.235 -0.016 18261 13726 1 19 . 1 1 57 57 ALA C C 57 179.344 179.344 179.357 -0.013 18261 13727 1 19 . 1 1 57 57 ALA CA C 57 54.446 54.446 53.992 0.454 18261 13728 1 19 . 1 1 57 57 ALA CB C 57 18.470 18.470 18.956 -0.485 18261 13729 1 19 . 1 1 57 57 ALA H H 57 8.030 8.030 7.525 0.505 18261 13730 1 19 . 1 1 58 58 GLN N N 58 114.257 114.257 116.726 -2.469 18261 13731 1 19 . 1 1 58 58 GLN HA H 58 4.356 4.356 4.280 0.076 18261 13732 1 19 . 1 1 58 58 GLN C C 58 176.612 176.612 176.515 0.097 18261 13733 1 19 . 1 1 58 58 GLN CA C 58 55.957 55.957 56.008 -0.050 18261 13734 1 19 . 1 1 58 58 GLN CB C 58 29.767 29.767 29.396 0.371 18261 13735 1 19 . 1 1 58 58 GLN H H 58 7.751 7.751 8.337 -0.586 18261 13736 1 19 . 1 1 59 59 GLY N N 59 108.304 108.304 106.921 1.383 18261 13737 1 19 . 1 1 59 59 GLY C C 59 174.856 174.856 174.619 0.237 18261 13738 1 19 . 1 1 59 59 GLY CA C 59 46.197 46.197 45.493 0.704 18261 13739 1 19 . 1 1 59 59 GLY H H 59 7.910 7.910 7.668 0.242 18261 13740 1 19 . 1 1 60 60 ARG N N 60 118.258 118.258 117.955 0.303 18261 13741 1 19 . 1 1 60 60 ARG HA H 60 4.553 4.553 4.524 0.029 18261 13742 1 19 . 1 1 60 60 ARG C C 60 175.847 175.847 175.770 0.077 18261 13743 1 19 . 1 1 60 60 ARG CA C 60 55.658 55.658 54.811 0.847 18261 13744 1 19 . 1 1 60 60 ARG CB C 60 31.714 31.714 31.465 0.249 18261 13745 1 19 . 1 1 60 60 ARG H H 60 8.108 8.108 8.499 -0.391 18261 13746 1 19 . 1 1 61 61 THR N N 61 115.924 115.924 114.239 1.685 18261 13747 1 19 . 1 1 61 61 THR HA H 61 4.785 4.785 4.343 0.442 18261 13748 1 19 . 1 1 61 61 THR C C 61 173.654 173.654 174.137 -0.483 18261 13749 1 19 . 1 1 61 61 THR CA C 61 63.140 63.140 63.180 -0.040 18261 13750 1 19 . 1 1 61 61 THR CB C 61 68.602 68.602 69.200 -0.598 18261 13751 1 19 . 1 1 61 61 THR H H 61 7.970 7.970 7.620 0.350 18261 13752 1 19 . 1 1 62 62 SER N N 62 119.666 119.666 120.702 -1.036 18261 13753 1 19 . 1 1 62 62 SER HA H 62 4.902 4.902 4.911 -0.009 18261 13754 1 19 . 1 1 62 62 SER C C 62 173.207 173.207 172.965 0.242 18261 13755 1 19 . 1 1 62 62 SER CA C 62 56.193 56.193 54.572 1.621 18261 13756 1 19 . 1 1 62 62 SER CB C 62 63.781 63.781 64.874 -1.093 18261 13757 1 19 . 1 1 62 62 SER H H 62 7.788 7.788 8.049 -0.261 18261 13758 1 19 . 1 1 63 63 PRO HA H 63 4.313 4.313 4.316 -0.003 18261 13759 1 19 . 1 1 63 63 PRO CA C 63 65.746 65.746 65.382 0.365 18261 13760 1 19 . 1 1 63 63 PRO CB C 63 32.147 32.147 32.239 -0.091 18261 13761 1 19 . 1 1 64 64 ASN HA H 64 4.550 4.550 4.590 -0.040 18261 13762 1 19 . 1 1 64 64 ASN CA C 64 56.202 56.202 54.536 1.666 18261 13763 1 19 . 1 1 64 64 ASN CB C 64 38.000 38.000 38.062 -0.062 18261 13764 1 19 . 1 1 65 65 LYS N N 65 120.530 120.530 120.278 0.252 18261 13765 1 19 . 1 1 65 65 LYS HA H 65 4.197 4.197 4.310 -0.113 18261 13766 1 19 . 1 1 65 65 LYS C C 65 178.999 178.999 178.488 0.511 18261 13767 1 19 . 1 1 65 65 LYS CA C 65 58.250 58.250 57.949 0.301 18261 13768 1 19 . 1 1 65 65 LYS CB C 65 32.498 32.498 33.198 -0.700 18261 13769 1 19 . 1 1 65 65 LYS H H 65 7.770 7.770 7.568 0.202 18261 13770 1 19 . 1 1 66 66 LEU N N 66 118.804 118.804 119.861 -1.057 18261 13771 1 19 . 1 1 66 66 LEU HA H 66 4.070 4.070 4.134 -0.064 18261 13772 1 19 . 1 1 66 66 LEU C C 66 178.928 178.928 178.562 0.366 18261 13773 1 19 . 1 1 66 66 LEU CA C 66 57.928 57.928 57.648 0.280 18261 13774 1 19 . 1 1 66 66 LEU CB C 66 41.329 41.329 41.587 -0.258 18261 13775 1 19 . 1 1 66 66 LEU H H 66 7.932 7.932 8.414 -0.482 18261 13776 1 19 . 1 1 67 67 GLN N N 67 119.307 119.307 118.230 1.077 18261 13777 1 19 . 1 1 67 67 GLN HA H 67 4.224 4.224 4.126 0.098 18261 13778 1 19 . 1 1 67 67 GLN C C 67 178.789 178.789 177.906 0.883 18261 13779 1 19 . 1 1 67 67 GLN CA C 67 58.862 58.862 58.643 0.219 18261 13780 1 19 . 1 1 67 67 GLN CB C 67 28.052 28.052 27.352 0.700 18261 13781 1 19 . 1 1 67 67 GLN H H 67 8.160 8.160 8.000 0.160 18261 13782 1 19 . 1 1 68 68 ALA N N 68 122.124 122.124 122.152 -0.028 18261 13783 1 19 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.223 -0.033 18261 13784 1 19 . 1 1 68 68 ALA C C 68 180.320 180.320 179.206 1.114 18261 13785 1 19 . 1 1 68 68 ALA CA C 68 55.282 55.282 54.541 0.741 18261 13786 1 19 . 1 1 68 68 ALA CB C 68 18.251 18.251 18.567 -0.317 18261 13787 1 19 . 1 1 68 68 ALA H H 68 7.844 7.844 7.502 0.342 18261 13788 1 19 . 1 1 69 69 LEU N N 69 119.481 119.481 118.854 0.627 18261 13789 1 19 . 1 1 69 69 LEU HA H 69 3.912 3.912 3.940 -0.028 18261 13790 1 19 . 1 1 69 69 LEU C C 69 178.864 178.864 178.955 -0.091 18261 13791 1 19 . 1 1 69 69 LEU CA C 69 57.904 57.904 57.275 0.629 18261 13792 1 19 . 1 1 69 69 LEU CB C 69 41.052 41.052 40.009 1.043 18261 13793 1 19 . 1 1 69 69 LEU H H 69 7.819 7.819 7.622 0.197 18261 13794 1 19 . 1 1 70 70 ASN N N 70 119.633 119.633 119.077 0.556 18261 13795 1 19 . 1 1 70 70 ASN HA H 70 4.553 4.553 4.798 -0.245 18261 13796 1 19 . 1 1 70 70 ASN C C 70 177.483 177.483 177.586 -0.103 18261 13797 1 19 . 1 1 70 70 ASN CA C 70 57.125 57.125 56.829 0.296 18261 13798 1 19 . 1 1 70 70 ASN CB C 70 38.392 38.392 38.714 -0.322 18261 13799 1 19 . 1 1 70 70 ASN H H 70 8.265 8.265 8.017 0.248 18261 13800 1 19 . 1 1 71 71 MET N N 71 118.024 118.024 119.584 -1.560 18261 13801 1 19 . 1 1 71 71 MET HA H 71 4.201 4.201 4.227 -0.026 18261 13802 1 19 . 1 1 71 71 MET C C 71 178.279 178.279 178.927 -0.648 18261 13803 1 19 . 1 1 71 71 MET CA C 71 59.445 59.445 59.894 -0.449 18261 13804 1 19 . 1 1 71 71 MET CB C 71 32.313 32.313 32.621 -0.308 18261 13805 1 19 . 1 1 71 71 MET H H 71 8.098 8.098 7.667 0.431 18261 13806 1 19 . 1 1 72 72 ARG N N 72 121.985 121.985 119.616 2.369 18261 13807 1 19 . 1 1 72 72 ARG HA H 72 3.981 3.981 4.048 -0.067 18261 13808 1 19 . 1 1 72 72 ARG C C 72 179.059 179.059 178.976 0.083 18261 13809 1 19 . 1 1 72 72 ARG CA C 72 59.058 59.058 59.542 -0.484 18261 13810 1 19 . 1 1 72 72 ARG CB C 72 30.120 30.120 30.003 0.117 18261 13811 1 19 . 1 1 72 72 ARG H H 72 8.292 8.292 8.057 0.235 18261 13812 1 19 . 1 1 73 73 PHE N N 73 122.085 122.085 121.081 1.004 18261 13813 1 19 . 1 1 73 73 PHE HA H 73 4.529 4.529 4.100 0.429 18261 13814 1 19 . 1 1 73 73 PHE C C 73 177.258 177.258 176.785 0.473 18261 13815 1 19 . 1 1 73 73 PHE CA C 73 59.248 59.248 60.696 -1.448 18261 13816 1 19 . 1 1 73 73 PHE CB C 73 39.527 39.527 38.815 0.713 18261 13817 1 19 . 1 1 73 73 PHE H H 73 8.703 8.703 8.642 0.061 18261 13818 1 19 . 1 1 74 74 ALA N N 74 119.273 119.273 121.089 -1.816 18261 13819 1 19 . 1 1 74 74 ALA HA H 74 3.764 3.764 3.795 -0.031 18261 13820 1 19 . 1 1 74 74 ALA C C 74 179.374 179.374 179.494 -0.120 18261 13821 1 19 . 1 1 74 74 ALA CA C 74 55.324 55.324 55.275 0.049 18261 13822 1 19 . 1 1 74 74 ALA CB C 74 20.509 20.509 18.590 1.919 18261 13823 1 19 . 1 1 74 74 ALA H H 74 8.598 8.598 8.286 0.312 18261 13824 1 19 . 1 1 75 75 SER N N 75 113.611 113.611 113.151 0.460 18261 13825 1 19 . 1 1 75 75 SER HA H 75 3.636 3.636 4.252 -0.616 18261 13826 1 19 . 1 1 75 75 SER CA C 75 61.936 61.936 61.376 0.561 18261 13827 1 19 . 1 1 75 75 SER CB C 75 61.869 61.869 62.493 -0.624 18261 13828 1 19 . 1 1 75 75 SER H H 75 8.780 8.780 8.119 0.661 18261 13829 1 19 . 1 1 76 76 SER N N 76 119.013 119.013 119.517 -0.504 18261 13830 1 19 . 1 1 76 76 SER HA H 76 4.310 4.310 4.221 0.089 18261 13831 1 19 . 1 1 76 76 SER CA C 76 62.536 62.536 61.872 0.664 18261 13832 1 19 . 1 1 76 76 SER CB C 76 62.943 62.943 62.913 0.030 18261 13833 1 19 . 1 1 76 76 SER H H 76 8.210 8.210 8.127 0.083 18261 13834 1 19 . 1 1 77 77 MET N N 77 120.105 120.105 120.557 -0.452 18261 13835 1 19 . 1 1 77 77 MET HA H 77 4.027 4.027 4.052 -0.025 18261 13836 1 19 . 1 1 77 77 MET C C 77 178.354 178.354 177.737 0.617 18261 13837 1 19 . 1 1 77 77 MET CA C 77 59.954 59.954 58.793 1.161 18261 13838 1 19 . 1 1 77 77 MET CB C 77 34.616 34.616 32.285 2.331 18261 13839 1 19 . 1 1 77 77 MET H H 77 8.005 8.005 7.662 0.343 18261 13840 1 19 . 1 1 78 78 ALA N N 78 121.530 121.530 123.107 -1.577 18261 13841 1 19 . 1 1 78 78 ALA HA H 78 3.933 3.933 4.053 -0.120 18261 13842 1 19 . 1 1 78 78 ALA C C 78 178.354 178.354 179.511 -1.157 18261 13843 1 19 . 1 1 78 78 ALA CA C 78 55.427 55.427 55.463 -0.036 18261 13844 1 19 . 1 1 78 78 ALA CB C 78 20.344 20.344 17.953 2.390 18261 13845 1 19 . 1 1 78 78 ALA H H 78 8.550 8.550 8.027 0.523 18261 13846 1 19 . 1 1 79 79 GLU N N 79 117.137 117.137 115.896 1.241 18261 13847 1 19 . 1 1 79 79 GLU HA H 79 3.919 3.919 4.135 -0.216 18261 13848 1 19 . 1 1 79 79 GLU C C 79 178.894 178.894 177.621 1.273 18261 13849 1 19 . 1 1 79 79 GLU CA C 79 59.445 59.445 58.410 1.035 18261 13850 1 19 . 1 1 79 79 GLU CB C 79 29.895 29.895 29.682 0.213 18261 13851 1 19 . 1 1 79 79 GLU H H 79 7.737 7.737 7.727 0.010 18261 13852 1 19 . 1 1 80 80 ILE N N 80 118.063 118.063 118.278 -0.215 18261 13853 1 19 . 1 1 80 80 ILE HA H 80 3.932 3.932 4.103 -0.171 18261 13854 1 19 . 1 1 80 80 ILE C C 80 179.014 179.014 177.963 1.051 18261 13855 1 19 . 1 1 80 80 ILE CA C 80 63.727 63.727 63.372 0.355 18261 13856 1 19 . 1 1 80 80 ILE CB C 80 38.208 38.208 38.684 -0.476 18261 13857 1 19 . 1 1 80 80 ILE H H 80 7.239 7.239 7.417 -0.178 18261 13858 1 19 . 1 1 81 81 ALA N N 81 121.494 121.494 122.656 -1.162 18261 13859 1 19 . 1 1 81 81 ALA HA H 81 3.961 3.961 4.256 -0.295 18261 13860 1 19 . 1 1 81 81 ALA C C 81 177.258 177.258 178.491 -1.233 18261 13861 1 19 . 1 1 81 81 ALA CA C 81 54.668 54.668 54.269 0.399 18261 13862 1 19 . 1 1 81 81 ALA CB C 81 17.887 17.887 18.458 -0.571 18261 13863 1 19 . 1 1 81 81 ALA H H 81 8.495 8.495 8.690 -0.195 18261 13864 1 19 . 1 1 82 82 ALA N N 82 116.416 116.416 119.287 -2.871 18261 13865 1 19 . 1 1 82 82 ALA HA H 82 4.316 4.316 4.112 0.204 18261 13866 1 19 . 1 1 82 82 ALA C C 82 177.693 177.693 177.972 -0.279 18261 13867 1 19 . 1 1 82 82 ALA CA C 82 52.630 52.630 53.609 -0.979 18261 13868 1 19 . 1 1 82 82 ALA CB C 82 19.224 19.224 18.845 0.379 18261 13869 1 19 . 1 1 82 82 ALA H H 82 8.034 8.034 7.974 0.060 18261 13870 1 19 . 1 1 83 83 SER N N 83 112.672 112.672 113.037 -0.365 18261 13871 1 19 . 1 1 83 83 SER HA H 83 4.299 4.299 4.406 -0.107 18261 13872 1 19 . 1 1 83 83 SER C C 83 174.856 174.856 174.998 -0.142 18261 13873 1 19 . 1 1 83 83 SER CA C 83 59.329 59.329 57.068 2.261 18261 13874 1 19 . 1 1 83 83 SER CB C 83 63.943 63.943 62.544 1.399 18261 13875 1 19 . 1 1 83 83 SER H H 83 7.437 7.437 7.555 -0.118 18261 13876 1 19 . 1 1 84 84 GLU N N 84 122.890 122.890 125.581 -2.691 18261 13877 1 19 . 1 1 84 84 GLU HA H 84 4.420 4.420 4.008 0.412 18261 13878 1 19 . 1 1 84 84 GLU C C 84 176.597 176.597 176.755 -0.158 18261 13879 1 19 . 1 1 84 84 GLU CA C 84 56.586 56.586 58.040 -1.454 18261 13880 1 19 . 1 1 84 84 GLU CB C 84 30.648 30.648 29.726 0.922 18261 13881 1 19 . 1 1 84 84 GLU H H 84 8.245 8.245 7.925 0.320 18261 13882 1 19 . 1 1 85 85 GLU N N 85 122.062 122.062 120.039 2.023 18261 13883 1 19 . 1 1 85 85 GLU HA H 85 4.285 4.285 4.064 0.221 18261 13884 1 19 . 1 1 85 85 GLU C C 85 177.258 177.258 176.608 0.650 18261 13885 1 19 . 1 1 85 85 GLU CA C 85 57.128 57.128 57.276 -0.148 18261 13886 1 19 . 1 1 85 85 GLU CB C 85 30.121 30.121 28.927 1.194 18261 13887 1 19 . 1 1 85 85 GLU H H 85 8.477 8.477 8.062 0.415 18261 13888 1 19 . 1 1 86 86 GLY N N 86 110.431 110.431 112.991 -2.560 18261 13889 1 19 . 1 1 86 86 GLY C C 86 174.856 174.856 173.129 1.727 18261 13890 1 19 . 1 1 86 86 GLY CA C 86 45.654 45.654 44.752 0.902 18261 13891 1 19 . 1 1 86 86 GLY H H 86 8.563 8.563 8.239 0.324 18261 13892 1 19 . 1 1 87 87 GLY N N 87 108.508 108.508 108.670 -0.162 18261 13893 1 19 . 1 1 87 87 GLY C C 87 174.436 174.436 173.822 0.614 18261 13894 1 19 . 1 1 87 87 GLY CA C 87 45.396 45.396 45.255 0.141 18261 13895 1 19 . 1 1 87 87 GLY H H 87 8.274 8.274 7.450 0.824 18261 13896 1 19 . 1 1 88 88 GLY N N 88 107.821 107.821 110.498 -2.677 18261 13897 1 19 . 1 1 88 88 GLY C C 88 173.325 173.325 173.897 -0.572 18261 13898 1 19 . 1 1 88 88 GLY CA C 88 44.814 44.814 44.097 0.717 18261 13899 1 19 . 1 1 88 88 GLY H H 88 8.105 8.105 7.891 0.214 18261 13900 1 19 . 1 1 89 89 SER N N 89 115.747 115.747 114.900 0.847 18261 13901 1 19 . 1 1 89 89 SER HA H 89 4.582 4.582 4.468 0.114 18261 13902 1 19 . 1 1 89 89 SER C C 89 175.066 175.066 175.432 -0.366 18261 13903 1 19 . 1 1 89 89 SER CA C 89 57.256 57.256 57.666 -0.410 18261 13904 1 19 . 1 1 89 89 SER CB C 89 65.130 65.130 65.123 0.007 18261 13905 1 19 . 1 1 89 89 SER H H 89 8.476 8.476 7.826 0.650 18261 13906 1 19 . 1 1 90 90 LEU N N 90 124.735 124.735 122.380 2.355 18261 13907 1 19 . 1 1 90 90 LEU HA H 90 4.106 4.106 4.013 0.093 18261 13908 1 19 . 1 1 90 90 LEU C C 90 179.434 179.434 178.720 0.714 18261 13909 1 19 . 1 1 90 90 LEU CA C 90 58.434 58.434 58.144 0.290 18261 13910 1 19 . 1 1 90 90 LEU CB C 90 41.377 41.377 41.575 -0.198 18261 13911 1 19 . 1 1 90 90 LEU H H 90 8.860 8.860 8.851 0.009 18261 13912 1 19 . 1 1 91 91 SER N N 91 113.851 113.851 111.391 2.460 18261 13913 1 19 . 1 1 91 91 SER C C 91 177.325 177.325 175.871 1.454 18261 13914 1 19 . 1 1 91 91 SER CA C 91 61.261 61.261 61.481 -0.220 18261 13915 1 19 . 1 1 91 91 SER CB C 91 62.010 62.010 62.716 -0.706 18261 13916 1 19 . 1 1 91 91 SER H H 91 8.537 8.537 8.322 0.215 18261 13917 1 19 . 1 1 92 92 THR N N 92 120.889 120.889 116.170 4.719 18261 13918 1 19 . 1 1 92 92 THR HA H 92 3.993 3.993 4.123 -0.130 18261 13919 1 19 . 1 1 92 92 THR C C 92 176.162 176.162 176.579 -0.417 18261 13920 1 19 . 1 1 92 92 THR CA C 92 66.467 66.467 65.546 0.921 18261 13921 1 19 . 1 1 92 92 THR CB C 92 68.285 68.285 68.823 -0.537 18261 13922 1 19 . 1 1 92 92 THR H H 92 7.795 7.795 7.472 0.323 18261 13923 1 19 . 1 1 93 93 LYS N N 93 120.210 120.210 121.814 -1.604 18261 13924 1 19 . 1 1 93 93 LYS HA H 93 3.798 3.798 3.860 -0.062 18261 13925 1 19 . 1 1 93 93 LYS CA C 93 61.044 61.044 59.255 1.789 18261 13926 1 19 . 1 1 93 93 LYS CB C 93 33.470 33.470 31.827 1.643 18261 13927 1 19 . 1 1 93 93 LYS H H 93 8.098 8.098 7.944 0.154 18261 13928 1 19 . 1 1 94 94 THR N N 94 111.485 111.485 113.966 -2.481 18261 13929 1 19 . 1 1 94 94 THR HA H 94 3.936 3.936 4.171 -0.235 18261 13930 1 19 . 1 1 94 94 THR C C 94 177.033 177.033 176.673 0.360 18261 13931 1 19 . 1 1 94 94 THR CA C 94 66.974 66.974 65.685 1.289 18261 13932 1 19 . 1 1 94 94 THR CB C 94 68.013 68.013 68.683 -0.670 18261 13933 1 19 . 1 1 94 94 THR H H 94 8.891 8.891 8.349 0.542 18261 13934 1 19 . 1 1 95 95 SER N N 95 118.938 118.938 116.542 2.396 18261 13935 1 19 . 1 1 95 95 SER HA H 95 4.394 4.394 4.350 0.044 18261 13936 1 19 . 1 1 95 95 SER C C 95 177.828 177.828 176.123 1.705 18261 13937 1 19 . 1 1 95 95 SER CA C 95 61.990 61.990 60.994 0.996 18261 13938 1 19 . 1 1 95 95 SER CB C 95 62.580 62.580 63.085 -0.505 18261 13939 1 19 . 1 1 95 95 SER H H 95 8.118 8.118 8.050 0.068 18261 13940 1 19 . 1 1 96 96 SER N N 96 121.520 121.520 118.906 2.614 18261 13941 1 19 . 1 1 96 96 SER HA H 96 4.457 4.457 4.245 0.212 18261 13942 1 19 . 1 1 96 96 SER CA C 96 62.695 62.695 61.230 1.465 18261 13943 1 19 . 1 1 96 96 SER CB C 96 62.796 62.796 62.663 0.133 18261 13944 1 19 . 1 1 96 96 SER H H 96 8.603 8.603 7.430 1.173 18261 13945 1 19 . 1 1 97 97 ILE N N 97 122.420 122.420 121.568 0.852 18261 13946 1 19 . 1 1 97 97 ILE HA H 97 3.792 3.792 3.775 0.017 18261 13947 1 19 . 1 1 97 97 ILE C C 97 177.693 177.693 177.960 -0.267 18261 13948 1 19 . 1 1 97 97 ILE CA C 97 66.722 66.722 65.667 1.055 18261 13949 1 19 . 1 1 97 97 ILE CB C 97 38.645 38.645 37.722 0.923 18261 13950 1 19 . 1 1 97 97 ILE H H 97 8.516 8.516 7.754 0.762 18261 13951 1 19 . 1 1 98 98 ALA N N 98 122.031 122.031 121.880 0.151 18261 13952 1 19 . 1 1 98 98 ALA HA H 98 4.063 4.063 4.210 -0.147 18261 13953 1 19 . 1 1 98 98 ALA C C 98 180.740 180.740 179.726 1.014 18261 13954 1 19 . 1 1 98 98 ALA CA C 98 56.158 56.158 54.924 1.234 18261 13955 1 19 . 1 1 98 98 ALA CB C 98 18.347 18.347 18.135 0.212 18261 13956 1 19 . 1 1 98 98 ALA H H 98 8.437 8.437 7.974 0.463 18261 13957 1 19 . 1 1 99 99 SER N N 99 115.676 115.676 114.676 1.000 18261 13958 1 19 . 1 1 99 99 SER HA H 99 4.369 4.369 4.204 0.165 18261 13959 1 19 . 1 1 99 99 SER C C 99 177.168 177.168 176.541 0.627 18261 13960 1 19 . 1 1 99 99 SER CA C 99 61.959 61.959 61.290 0.669 18261 13961 1 19 . 1 1 99 99 SER CB C 99 63.160 63.160 62.875 0.285 18261 13962 1 19 . 1 1 99 99 SER H H 99 8.611 8.611 7.869 0.742 18261 13963 1 19 . 1 1 100 100 ALA N N 100 124.275 124.275 124.423 -0.148 18261 13964 1 19 . 1 1 100 100 ALA HA H 100 4.243 4.243 3.883 0.360 18261 13965 1 19 . 1 1 100 100 ALA C C 100 181.851 181.851 179.527 2.324 18261 13966 1 19 . 1 1 100 100 ALA CA C 100 55.321 55.321 54.886 0.435 18261 13967 1 19 . 1 1 100 100 ALA CB C 100 18.479 18.479 17.922 0.557 18261 13968 1 19 . 1 1 100 100 ALA H H 100 8.973 8.973 7.950 1.023 18261 13969 1 19 . 1 1 101 101 MET N N 101 118.986 118.986 118.808 0.178 18261 13970 1 19 . 1 1 101 101 MET HA H 101 4.063 4.063 4.011 0.052 18261 13971 1 19 . 1 1 101 101 MET C C 101 177.483 177.483 178.531 -1.048 18261 13972 1 19 . 1 1 101 101 MET CA C 101 60.999 60.999 60.053 0.946 18261 13973 1 19 . 1 1 101 101 MET CB C 101 34.583 34.583 32.993 1.590 18261 13974 1 19 . 1 1 101 101 MET H H 101 9.072 9.072 8.589 0.483 18261 13975 1 19 . 1 1 102 102 SER N N 102 116.650 116.650 115.574 1.076 18261 13976 1 19 . 1 1 102 102 SER HA H 102 4.370 4.370 4.338 0.032 18261 13977 1 19 . 1 1 102 102 SER C C 102 176.357 176.357 176.631 -0.274 18261 13978 1 19 . 1 1 102 102 SER CA C 102 63.278 63.278 62.202 1.076 18261 13979 1 19 . 1 1 102 102 SER CB C 102 62.523 62.523 63.304 -0.781 18261 13980 1 19 . 1 1 102 102 SER H H 102 8.673 8.673 8.673 -0.000 18261 13981 1 19 . 1 1 103 103 ASN N N 103 118.060 118.060 120.141 -2.081 18261 13982 1 19 . 1 1 103 103 ASN HA H 103 4.477 4.477 4.453 0.024 18261 13983 1 19 . 1 1 103 103 ASN C C 103 176.603 176.603 177.344 -0.741 18261 13984 1 19 . 1 1 103 103 ASN CA C 103 56.564 56.564 56.192 0.372 18261 13985 1 19 . 1 1 103 103 ASN CB C 103 38.362 38.362 38.445 -0.083 18261 13986 1 19 . 1 1 103 103 ASN H H 103 8.098 8.098 8.429 -0.331 18261 13987 1 19 . 1 1 104 104 ALA N N 104 122.235 122.235 122.139 0.096 18261 13988 1 19 . 1 1 104 104 ALA HA H 104 4.255 4.255 3.922 0.333 18261 13989 1 19 . 1 1 104 104 ALA C C 104 181.701 181.701 179.779 1.922 18261 13990 1 19 . 1 1 104 104 ALA CA C 104 54.815 54.815 54.761 0.054 18261 13991 1 19 . 1 1 104 104 ALA CB C 104 18.177 18.177 17.910 0.267 18261 13992 1 19 . 1 1 104 104 ALA H H 104 7.919 7.919 7.791 0.128 18261 13993 1 19 . 1 1 105 105 PHE N N 105 119.159 119.159 119.229 -0.070 18261 13994 1 19 . 1 1 105 105 PHE HA H 105 4.401 4.401 4.538 -0.137 18261 13995 1 19 . 1 1 105 105 PHE C C 105 179.224 179.224 178.490 0.734 18261 13996 1 19 . 1 1 105 105 PHE CA C 105 63.744 63.744 61.159 2.585 18261 13997 1 19 . 1 1 105 105 PHE CB C 105 39.417 39.417 38.795 0.622 18261 13998 1 19 . 1 1 105 105 PHE H H 105 8.615 8.615 8.369 0.246 18261 13999 1 19 . 1 1 106 106 LEU N N 106 121.765 121.765 117.009 4.756 18261 14000 1 19 . 1 1 106 106 LEU HA H 106 3.741 3.741 4.061 -0.320 18261 14001 1 19 . 1 1 106 106 LEU C C 106 179.074 179.074 179.066 0.008 18261 14002 1 19 . 1 1 106 106 LEU CA C 106 59.086 59.086 57.715 1.371 18261 14003 1 19 . 1 1 106 106 LEU CB C 106 41.265 41.265 41.345 -0.080 18261 14004 1 19 . 1 1 106 106 LEU H H 106 8.259 8.259 8.463 -0.204 18261 14005 1 19 . 1 1 107 107 GLN N N 107 114.755 114.755 116.826 -2.071 18261 14006 1 19 . 1 1 107 107 GLN HA H 107 4.189 4.189 4.330 -0.141 18261 14007 1 19 . 1 1 107 107 GLN C C 107 176.822 176.822 177.871 -1.049 18261 14008 1 19 . 1 1 107 107 GLN CA C 107 57.461 57.461 57.984 -0.523 18261 14009 1 19 . 1 1 107 107 GLN CB C 107 29.393 29.393 28.759 0.634 18261 14010 1 19 . 1 1 107 107 GLN H H 107 8.176 8.176 7.764 0.412 18261 14011 1 19 . 1 1 108 108 THR N N 108 108.074 108.074 111.971 -3.897 18261 14012 1 19 . 1 1 108 108 THR HA H 108 4.517 4.517 4.438 0.079 18261 14013 1 19 . 1 1 108 108 THR C C 108 175.952 175.952 175.861 0.091 18261 14014 1 19 . 1 1 108 108 THR CA C 108 62.526 62.526 64.602 -2.076 18261 14015 1 19 . 1 1 108 108 THR CB C 108 70.320 70.320 69.634 0.686 18261 14016 1 19 . 1 1 108 108 THR H H 108 7.740 7.740 8.065 -0.325 18261 14017 1 19 . 1 1 109 109 THR N N 109 113.029 113.029 112.487 0.542 18261 14018 1 19 . 1 1 109 109 THR HA H 109 4.620 4.620 4.516 0.104 18261 14019 1 19 . 1 1 109 109 THR C C 109 176.162 176.162 176.296 -0.134 18261 14020 1 19 . 1 1 109 109 THR CA C 109 62.255 62.255 62.555 -0.300 18261 14021 1 19 . 1 1 109 109 THR CB C 109 70.768 70.768 72.029 -1.261 18261 14022 1 19 . 1 1 109 109 THR H H 109 8.869 8.869 8.259 0.610 18261 14023 1 19 . 1 1 110 110 GLY N N 110 109.433 109.433 111.968 -2.535 18261 14024 1 19 . 1 1 110 110 GLY C C 110 172.889 172.889 173.836 -0.947 18261 14025 1 19 . 1 1 110 110 GLY CA C 110 45.555 45.555 45.375 0.180 18261 14026 1 19 . 1 1 110 110 GLY H H 110 8.298 8.298 8.462 -0.164 18261 14027 1 19 . 1 1 111 111 VAL N N 111 119.167 119.167 121.309 -2.142 18261 14028 1 19 . 1 1 111 111 VAL HA H 111 4.266 4.266 4.328 -0.062 18261 14029 1 19 . 1 1 111 111 VAL C C 111 174.421 174.421 175.239 -0.818 18261 14030 1 19 . 1 1 111 111 VAL CA C 111 60.783 60.783 60.270 0.513 18261 14031 1 19 . 1 1 111 111 VAL CB C 111 35.394 35.394 34.322 1.071 18261 14032 1 19 . 1 1 111 111 VAL H H 111 7.786 7.786 7.919 -0.133 18261 14033 1 19 . 1 1 112 112 VAL N N 112 124.920 124.920 123.672 1.248 18261 14034 1 19 . 1 1 112 112 VAL HA H 112 3.251 3.251 4.080 -0.829 18261 14035 1 19 . 1 1 112 112 VAL C C 112 174.646 174.646 175.386 -0.740 18261 14036 1 19 . 1 1 112 112 VAL CA C 112 64.409 64.409 61.497 2.912 18261 14037 1 19 . 1 1 112 112 VAL CB C 112 32.626 32.626 31.667 0.959 18261 14038 1 19 . 1 1 112 112 VAL H H 112 8.721 8.721 8.263 0.458 18261 14039 1 19 . 1 1 113 113 ASN HA H 113 4.505 4.505 4.469 0.036 18261 14040 1 19 . 1 1 113 113 ASN CA C 113 50.080 50.080 51.953 -1.873 18261 14041 1 19 . 1 1 113 113 ASN CB C 113 36.910 36.910 36.894 0.016 18261 14042 1 19 . 1 1 114 114 GLN N N 114 123.939 123.939 125.686 -1.747 18261 14043 1 19 . 1 1 114 114 GLN HA H 114 3.944 3.944 4.170 -0.226 18261 14044 1 19 . 1 1 114 114 GLN C C 114 174.811 174.811 175.014 -0.203 18261 14045 1 19 . 1 1 114 114 GLN CA C 114 59.348 59.348 60.097 -0.749 18261 14046 1 19 . 1 1 114 114 GLN CB C 114 26.505 26.505 27.012 -0.506 18261 14047 1 19 . 1 1 114 114 GLN H H 114 8.368 8.368 8.121 0.247 18261 14048 1 19 . 1 1 115 115 PRO HA H 115 4.243 4.243 4.069 0.174 18261 14049 1 19 . 1 1 115 115 PRO CA C 115 66.602 66.602 65.517 1.085 18261 14050 1 19 . 1 1 115 115 PRO CB C 115 31.215 31.215 31.115 0.100 18261 14051 1 19 . 1 1 116 116 PHE N N 116 117.612 117.612 112.355 5.257 18261 14052 1 19 . 1 1 116 116 PHE HA H 116 4.209 4.209 4.678 -0.469 18261 14053 1 19 . 1 1 116 116 PHE C C 116 176.597 176.597 176.585 0.012 18261 14054 1 19 . 1 1 116 116 PHE CA C 116 61.261 61.261 58.588 2.673 18261 14055 1 19 . 1 1 116 116 PHE CB C 116 39.506 39.506 38.956 0.550 18261 14056 1 19 . 1 1 116 116 PHE H H 116 7.249 7.249 7.725 -0.476 18261 14057 1 19 . 1 1 117 117 ILE N N 117 119.233 119.233 119.923 -0.690 18261 14058 1 19 . 1 1 117 117 ILE HA H 117 3.537 3.537 4.202 -0.665 18261 14059 1 19 . 1 1 117 117 ILE C C 117 178.789 178.789 176.997 1.792 18261 14060 1 19 . 1 1 117 117 ILE CA C 117 65.677 65.677 63.328 2.349 18261 14061 1 19 . 1 1 117 117 ILE CB C 117 38.125 38.125 39.072 -0.947 18261 14062 1 19 . 1 1 117 117 ILE H H 117 7.652 7.652 7.960 -0.308 18261 14063 1 19 . 1 1 118 118 ASN N N 118 119.875 119.875 120.069 -0.194 18261 14064 1 19 . 1 1 118 118 ASN HA H 118 4.304 4.304 4.496 -0.192 18261 14065 1 19 . 1 1 118 118 ASN C C 118 177.033 177.033 177.998 -0.965 18261 14066 1 19 . 1 1 118 118 ASN CA C 118 55.716 55.716 56.454 -0.738 18261 14067 1 19 . 1 1 118 118 ASN CB C 118 37.423 37.423 38.022 -0.599 18261 14068 1 19 . 1 1 118 118 ASN H H 118 8.975 8.975 8.388 0.587 18261 14069 1 19 . 1 1 119 119 GLU N N 119 121.029 121.029 119.558 1.471 18261 14070 1 19 . 1 1 119 119 GLU HA H 119 4.026 4.026 4.135 -0.109 18261 14071 1 19 . 1 1 119 119 GLU C C 119 178.564 178.564 179.019 -0.455 18261 14072 1 19 . 1 1 119 119 GLU CA C 119 59.426 59.426 59.363 0.063 18261 14073 1 19 . 1 1 119 119 GLU CB C 119 29.646 29.646 29.582 0.063 18261 14074 1 19 . 1 1 119 119 GLU H H 119 8.120 8.120 7.617 0.503 18261 14075 1 19 . 1 1 120 120 ILE N N 120 117.654 117.654 119.712 -2.058 18261 14076 1 19 . 1 1 120 120 ILE HA H 120 3.734 3.734 3.980 -0.246 18261 14077 1 19 . 1 1 120 120 ILE C C 120 178.279 178.279 178.447 -0.168 18261 14078 1 19 . 1 1 120 120 ILE CA C 120 62.756 62.756 64.958 -2.202 18261 14079 1 19 . 1 1 120 120 ILE CB C 120 35.645 35.645 37.952 -2.307 18261 14080 1 19 . 1 1 120 120 ILE H H 120 8.077 8.077 7.567 0.510 18261 14081 1 19 . 1 1 121 121 THR N N 121 112.585 112.585 115.969 -3.384 18261 14082 1 19 . 1 1 121 121 THR HA H 121 3.753 3.753 4.060 -0.307 18261 14083 1 19 . 1 1 121 121 THR C C 121 177.258 177.258 177.171 0.087 18261 14084 1 19 . 1 1 121 121 THR CA C 121 67.090 67.090 66.069 1.021 18261 14085 1 19 . 1 1 121 121 THR CB C 121 68.254 68.254 68.174 0.080 18261 14086 1 19 . 1 1 121 121 THR H H 121 8.640 8.640 7.912 0.728 18261 14087 1 19 . 1 1 122 122 GLN N N 122 123.063 123.063 121.141 1.922 18261 14088 1 19 . 1 1 122 122 GLN HA H 122 4.091 4.091 4.091 -0.000 18261 14089 1 19 . 1 1 122 122 GLN C C 122 179.014 179.014 178.809 0.205 18261 14090 1 19 . 1 1 122 122 GLN CA C 122 59.192 59.192 58.588 0.604 18261 14091 1 19 . 1 1 122 122 GLN CB C 122 28.020 28.020 28.054 -0.034 18261 14092 1 19 . 1 1 122 122 GLN H H 122 8.111 8.111 7.911 0.200 18261 14093 1 19 . 1 1 123 123 LEU N N 123 120.494 120.494 120.540 -0.046 18261 14094 1 19 . 1 1 123 123 LEU HA H 123 3.841 3.841 3.970 -0.129 18261 14095 1 19 . 1 1 123 123 LEU C C 123 178.354 178.354 179.051 -0.697 18261 14096 1 19 . 1 1 123 123 LEU CA C 123 58.005 58.005 57.690 0.315 18261 14097 1 19 . 1 1 123 123 LEU CB C 123 42.580 42.580 41.713 0.867 18261 14098 1 19 . 1 1 123 123 LEU H H 123 8.131 8.131 7.971 0.160 18261 14099 1 19 . 1 1 124 124 VAL N N 124 118.543 118.543 121.139 -2.596 18261 14100 1 19 . 1 1 124 124 VAL HA H 124 3.560 3.560 3.722 -0.162 18261 14101 1 19 . 1 1 124 124 VAL C C 124 177.453 177.453 178.552 -1.099 18261 14102 1 19 . 1 1 124 124 VAL CA C 124 67.297 67.297 66.758 0.539 18261 14103 1 19 . 1 1 124 124 VAL CB C 124 31.526 31.526 30.760 0.766 18261 14104 1 19 . 1 1 124 124 VAL H H 124 8.732 8.732 8.874 -0.142 18261 14105 1 19 . 1 1 125 125 SER N N 125 112.449 112.449 114.402 -1.953 18261 14106 1 19 . 1 1 125 125 SER HA H 125 4.044 4.044 4.147 -0.103 18261 14107 1 19 . 1 1 125 125 SER C C 125 175.937 175.937 177.005 -1.068 18261 14108 1 19 . 1 1 125 125 SER CA C 125 62.356 62.356 61.380 0.976 18261 14109 1 19 . 1 1 125 125 SER CB C 125 62.890 62.890 62.960 -0.070 18261 14110 1 19 . 1 1 125 125 SER H H 125 7.863 7.863 7.946 -0.083 18261 14111 1 19 . 1 1 126 126 MET N N 126 120.797 120.797 121.316 -0.519 18261 14112 1 19 . 1 1 126 126 MET HA H 126 4.051 4.051 4.111 -0.060 18261 14113 1 19 . 1 1 126 126 MET C C 126 179.254 179.254 178.727 0.527 18261 14114 1 19 . 1 1 126 126 MET CA C 126 58.939 58.939 58.797 0.142 18261 14115 1 19 . 1 1 126 126 MET CB C 126 32.625 32.625 32.636 -0.011 18261 14116 1 19 . 1 1 126 126 MET H H 126 8.033 8.033 7.426 0.607 18261 14117 1 19 . 1 1 127 127 PHE N N 127 118.244 118.244 118.454 -0.210 18261 14118 1 19 . 1 1 127 127 PHE HA H 127 4.398 4.398 4.316 0.082 18261 14119 1 19 . 1 1 127 127 PHE C C 127 178.128 178.128 178.016 0.112 18261 14120 1 19 . 1 1 127 127 PHE CA C 127 59.991 59.991 60.156 -0.165 18261 14121 1 19 . 1 1 127 127 PHE CB C 127 38.584 38.584 38.060 0.524 18261 14122 1 19 . 1 1 127 127 PHE H H 127 8.753 8.753 8.600 0.153 18261 14123 1 19 . 1 1 128 128 ALA N N 128 120.518 120.518 122.145 -1.627 18261 14124 1 19 . 1 1 128 128 ALA HA H 128 4.152 4.152 4.261 -0.109 18261 14125 1 19 . 1 1 128 128 ALA C C 128 178.789 178.789 179.597 -0.808 18261 14126 1 19 . 1 1 128 128 ALA CA C 128 54.570 54.570 54.818 -0.248 18261 14127 1 19 . 1 1 128 128 ALA CB C 128 19.373 19.373 18.134 1.240 18261 14128 1 19 . 1 1 128 128 ALA H H 128 8.681 8.681 8.700 -0.019 18261 14129 1 19 . 1 1 129 129 GLN N N 129 115.315 115.315 117.399 -2.084 18261 14130 1 19 . 1 1 129 129 GLN HA H 129 4.197 4.197 4.088 0.109 18261 14131 1 19 . 1 1 129 129 GLN C C 129 177.258 177.258 177.025 0.233 18261 14132 1 19 . 1 1 129 129 GLN CA C 129 57.519 57.519 58.085 -0.566 18261 14133 1 19 . 1 1 129 129 GLN CB C 129 29.271 29.271 28.642 0.629 18261 14134 1 19 . 1 1 129 129 GLN H H 129 7.835 7.835 7.932 -0.097 18261 14135 1 19 . 1 1 130 130 ALA N N 130 121.556 121.556 119.737 1.819 18261 14136 1 19 . 1 1 130 130 ALA HA H 130 4.285 4.285 4.594 -0.309 18261 14137 1 19 . 1 1 130 130 ALA C C 130 178.564 178.564 177.132 1.432 18261 14138 1 19 . 1 1 130 130 ALA CA C 130 53.823 53.823 52.188 1.635 18261 14139 1 19 . 1 1 130 130 ALA CB C 130 19.058 19.058 19.031 0.027 18261 14140 1 19 . 1 1 130 130 ALA H H 130 7.758 7.758 7.533 0.225 18261 14141 1 19 . 1 1 131 131 GLY N N 131 105.780 105.780 105.976 -0.196 18261 14142 1 19 . 1 1 131 131 GLY C C 131 173.970 173.970 175.381 -1.411 18261 14143 1 19 . 1 1 131 131 GLY CA C 131 45.702 45.702 45.317 0.385 18261 14144 1 19 . 1 1 131 131 GLY H H 131 8.222 8.222 7.814 0.408 18261 14145 1 19 . 1 1 132 132 MET N N 132 118.358 118.358 116.226 2.132 18261 14146 1 19 . 1 1 132 132 MET HA H 132 4.540 4.540 4.482 0.058 18261 14147 1 19 . 1 1 132 132 MET C C 132 175.952 175.952 175.974 -0.022 18261 14148 1 19 . 1 1 132 132 MET CA C 132 55.611 55.611 56.906 -1.295 18261 14149 1 19 . 1 1 132 132 MET CB C 132 33.473 33.473 34.048 -0.575 18261 14150 1 19 . 1 1 132 132 MET H H 132 7.763 7.763 7.605 0.158 18261 14151 1 19 . 1 1 133 133 ASN N N 133 119.002 119.002 117.464 1.538 18261 14152 1 19 . 1 1 133 133 ASN HA H 133 4.725 4.725 4.945 -0.220 18261 14153 1 19 . 1 1 133 133 ASN C C 133 174.646 174.646 173.229 1.417 18261 14154 1 19 . 1 1 133 133 ASN CA C 133 53.512 53.512 52.744 0.768 18261 14155 1 19 . 1 1 133 133 ASN CB C 133 39.301 39.301 42.424 -3.123 18261 14156 1 19 . 1 1 133 133 ASN H H 133 8.289 8.289 7.594 0.695 18261 14157 1 19 . 1 1 134 134 ASP N N 134 120.907 120.907 121.464 -0.557 18261 14158 1 19 . 1 1 134 134 ASP HA H 134 4.659 4.659 4.675 -0.016 18261 14159 1 19 . 1 1 134 134 ASP C C 134 176.162 176.162 175.545 0.617 18261 14160 1 19 . 1 1 134 134 ASP CA C 134 54.379 54.379 55.012 -0.633 18261 14161 1 19 . 1 1 134 134 ASP CB C 134 41.291 41.291 40.178 1.113 18261 14162 1 19 . 1 1 134 134 ASP H H 134 8.364 8.364 8.699 -0.335 18261 14163 1 19 . 1 1 135 135 VAL N N 135 119.971 119.971 122.810 -2.839 18261 14164 1 19 . 1 1 135 135 VAL HA H 135 4.214 4.214 4.346 -0.132 18261 14165 1 19 . 1 1 135 135 VAL C C 135 176.162 176.162 175.839 0.323 18261 14166 1 19 . 1 1 135 135 VAL CA C 135 62.157 62.157 62.222 -0.065 18261 14167 1 19 . 1 1 135 135 VAL CB C 135 32.644 32.644 32.660 -0.016 18261 14168 1 19 . 1 1 135 135 VAL H H 135 8.118 8.118 8.135 -0.017 18261 14169 1 19 . 1 1 136 136 SER N N 136 119.918 119.918 117.213 2.705 18261 14170 1 19 . 1 1 136 136 SER HA H 136 4.462 4.462 4.496 -0.034 18261 14171 1 19 . 1 1 136 136 SER C C 136 173.325 173.325 174.367 -1.042 18261 14172 1 19 . 1 1 136 136 SER CA C 136 58.342 58.342 59.044 -0.702 18261 14173 1 19 . 1 1 136 136 SER CB C 136 64.041 64.041 63.570 0.471 18261 14174 1 19 . 1 1 136 136 SER H H 136 8.410 8.410 8.522 -0.112 18261 14175 1 20 . 1 1 3 3 GLY CA C 3 45.200 45.200 45.962 -0.762 18261 14176 1 20 . 1 1 4 4 ASN N N 4 124.083 124.083 119.559 4.524 18261 14177 1 20 . 1 1 4 4 ASN HA H 4 4.530 4.530 4.825 -0.295 18261 14178 1 20 . 1 1 4 4 ASN C C 4 179.449 179.449 174.579 4.870 18261 14179 1 20 . 1 1 4 4 ASN CA C 4 54.803 54.803 53.417 1.386 18261 14180 1 20 . 1 1 4 4 ASN CB C 4 41.106 41.106 40.391 0.715 18261 14181 1 20 . 1 1 4 4 ASN H H 4 7.981 7.981 8.571 -0.590 18261 14182 1 20 . 1 1 6 6 HIS HA H 6 4.693 4.693 4.876 -0.183 18261 14183 1 20 . 1 1 6 6 HIS CA C 6 56.115 56.115 54.136 1.979 18261 14184 1 20 . 1 1 6 6 HIS CB C 6 31.011 31.011 31.136 -0.125 18261 14185 1 20 . 1 1 7 7 THR N N 7 115.238 115.238 122.925 -7.687 18261 14186 1 20 . 1 1 7 7 THR HA H 7 4.318 4.318 4.239 0.079 18261 14187 1 20 . 1 1 7 7 THR C C 7 173.970 173.970 173.728 0.242 18261 14188 1 20 . 1 1 7 7 THR CA C 7 62.099 62.099 62.484 -0.385 18261 14189 1 20 . 1 1 7 7 THR CB C 7 69.779 69.779 68.776 1.003 18261 14190 1 20 . 1 1 7 7 THR H H 7 8.120 8.120 8.542 -0.422 18261 14191 1 20 . 1 1 8 8 THR N N 8 115.713 115.713 121.592 -5.879 18261 14192 1 20 . 1 1 8 8 THR HA H 8 4.146 4.146 4.281 -0.135 18261 14193 1 20 . 1 1 8 8 THR C C 8 172.664 172.664 173.241 -0.577 18261 14194 1 20 . 1 1 8 8 THR CA C 8 58.349 58.349 59.063 -0.714 18261 14195 1 20 . 1 1 8 8 THR CB C 8 69.219 69.219 71.214 -1.995 18261 14196 1 20 . 1 1 8 8 THR H H 8 7.977 7.977 7.727 0.250 18261 14197 1 20 . 1 1 9 9 PRO HA H 9 3.939 3.939 4.177 -0.238 18261 14198 1 20 . 1 1 9 9 PRO CA C 9 62.965 62.965 64.028 -1.063 18261 14199 1 20 . 1 1 9 9 PRO CB C 9 30.610 30.610 30.811 -0.201 18261 14200 1 20 . 1 1 10 10 TRP N N 10 111.487 111.487 115.000 -3.513 18261 14201 1 20 . 1 1 10 10 TRP HA H 10 4.899 4.899 4.716 0.183 18261 14202 1 20 . 1 1 10 10 TRP C C 10 175.817 175.817 176.642 -0.825 18261 14203 1 20 . 1 1 10 10 TRP CA C 10 54.292 54.292 55.590 -1.298 18261 14204 1 20 . 1 1 10 10 TRP CB C 10 31.219 31.219 28.869 2.349 18261 14205 1 20 . 1 1 10 10 TRP H H 10 6.681 6.681 7.217 -0.536 18261 14206 1 20 . 1 1 11 11 THR N N 11 106.120 106.120 111.461 -5.341 18261 14207 1 20 . 1 1 11 11 THR HA H 11 3.905 3.905 4.195 -0.290 18261 14208 1 20 . 1 1 11 11 THR C C 11 173.970 173.970 173.977 -0.007 18261 14209 1 20 . 1 1 11 11 THR CA C 11 63.937 63.937 64.391 -0.454 18261 14210 1 20 . 1 1 11 11 THR CB C 11 69.242 69.242 69.310 -0.068 18261 14211 1 20 . 1 1 11 11 THR H H 11 7.189 7.189 7.460 -0.271 18261 14212 1 20 . 1 1 12 12 ASN N N 12 116.403 116.403 118.120 -1.717 18261 14213 1 20 . 1 1 12 12 ASN HA H 12 5.115 5.115 5.187 -0.072 18261 14214 1 20 . 1 1 12 12 ASN C C 12 172.889 172.889 173.813 -0.924 18261 14215 1 20 . 1 1 12 12 ASN CA C 12 51.276 51.276 50.989 0.288 18261 14216 1 20 . 1 1 12 12 ASN CB C 12 40.474 40.474 41.095 -0.621 18261 14217 1 20 . 1 1 12 12 ASN H H 12 7.282 7.282 7.966 -0.684 18261 14218 1 20 . 1 1 13 13 PRO HA H 13 4.210 4.210 4.303 -0.093 18261 14219 1 20 . 1 1 13 13 PRO CA C 13 65.516 65.516 66.291 -0.775 18261 14220 1 20 . 1 1 13 13 PRO CB C 13 32.418 32.418 31.965 0.453 18261 14221 1 20 . 1 1 14 14 GLY N N 14 108.796 108.796 106.637 2.159 18261 14222 1 20 . 1 1 14 14 GLY C C 14 175.952 175.952 176.549 -0.597 18261 14223 1 20 . 1 1 14 14 GLY CA C 14 47.073 47.073 46.911 0.162 18261 14224 1 20 . 1 1 14 14 GLY H H 14 8.363 8.363 8.395 -0.032 18261 14225 1 20 . 1 1 15 15 LEU N N 15 124.473 124.473 123.153 1.320 18261 14226 1 20 . 1 1 15 15 LEU HA H 15 4.335 4.335 4.124 0.211 18261 14227 1 20 . 1 1 15 15 LEU C C 15 178.564 178.564 178.760 -0.196 18261 14228 1 20 . 1 1 15 15 LEU CA C 15 57.402 57.402 56.735 0.667 18261 14229 1 20 . 1 1 15 15 LEU CB C 15 41.600 41.600 41.513 0.087 18261 14230 1 20 . 1 1 15 15 LEU H H 15 7.890 7.890 7.885 0.005 18261 14231 1 20 . 1 1 16 16 ALA N N 16 121.371 121.371 122.043 -0.672 18261 14232 1 20 . 1 1 16 16 ALA HA H 16 4.000 4.000 4.245 -0.245 18261 14233 1 20 . 1 1 16 16 ALA C C 16 179.104 179.104 179.753 -0.649 18261 14234 1 20 . 1 1 16 16 ALA CA C 16 56.360 56.360 55.245 1.115 18261 14235 1 20 . 1 1 16 16 ALA CB C 16 19.351 19.351 18.742 0.609 18261 14236 1 20 . 1 1 16 16 ALA H H 16 8.429 8.429 8.337 0.092 18261 14237 1 20 . 1 1 17 17 GLU N N 17 117.199 117.199 118.234 -1.035 18261 14238 1 20 . 1 1 17 17 GLU HA H 17 3.964 3.964 3.997 -0.033 18261 14239 1 20 . 1 1 17 17 GLU C C 17 177.993 177.993 179.061 -1.068 18261 14240 1 20 . 1 1 17 17 GLU CA C 17 59.543 59.543 59.376 0.167 18261 14241 1 20 . 1 1 17 17 GLU CB C 17 29.932 29.932 29.309 0.623 18261 14242 1 20 . 1 1 17 17 GLU H H 17 8.030 8.030 8.569 -0.539 18261 14243 1 20 . 1 1 18 18 ASN N N 18 118.433 118.433 118.838 -0.405 18261 14244 1 20 . 1 1 18 18 ASN HA H 18 4.546 4.546 4.580 -0.034 18261 14245 1 20 . 1 1 18 18 ASN C C 18 178.347 178.347 177.455 0.892 18261 14246 1 20 . 1 1 18 18 ASN CA C 18 56.226 56.226 56.553 -0.327 18261 14247 1 20 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.786 -0.662 18261 14248 1 20 . 1 1 18 18 ASN H H 18 8.075 8.075 8.037 0.038 18261 14249 1 20 . 1 1 19 19 PHE N N 19 122.078 122.078 123.930 -1.852 18261 14250 1 20 . 1 1 19 19 PHE HA H 19 3.881 3.881 4.307 -0.426 18261 14251 1 20 . 1 1 19 19 PHE C C 19 176.837 176.837 177.294 -0.457 18261 14252 1 20 . 1 1 19 19 PHE CA C 19 62.230 62.230 61.740 0.490 18261 14253 1 20 . 1 1 19 19 PHE CB C 19 39.450 39.450 39.269 0.181 18261 14254 1 20 . 1 1 19 19 PHE H H 19 9.623 9.623 8.658 0.965 18261 14255 1 20 . 1 1 20 20 MET N N 20 118.264 118.264 117.700 0.564 18261 14256 1 20 . 1 1 20 20 MET HA H 20 4.424 4.424 4.054 0.370 18261 14257 1 20 . 1 1 20 20 MET C C 20 178.924 178.924 178.775 0.149 18261 14258 1 20 . 1 1 20 20 MET CA C 20 57.480 57.480 57.289 0.191 18261 14259 1 20 . 1 1 20 20 MET CB C 20 31.929 31.929 31.110 0.819 18261 14260 1 20 . 1 1 20 20 MET H H 20 8.865 8.865 8.450 0.415 18261 14261 1 20 . 1 1 21 21 ASN N N 21 118.455 118.455 119.156 -0.701 18261 14262 1 20 . 1 1 21 21 ASN HA H 21 4.542 4.542 4.416 0.126 18261 14263 1 20 . 1 1 21 21 ASN C C 21 178.249 178.249 177.766 0.483 18261 14264 1 20 . 1 1 21 21 ASN CA C 21 56.305 56.305 57.106 -0.801 18261 14265 1 20 . 1 1 21 21 ASN CB C 21 37.916 37.916 38.810 -0.894 18261 14266 1 20 . 1 1 21 21 ASN H H 21 8.453 8.453 8.733 -0.280 18261 14267 1 20 . 1 1 22 22 SER N N 22 116.036 116.036 115.588 0.448 18261 14268 1 20 . 1 1 22 22 SER HA H 22 4.196 4.196 4.213 -0.017 18261 14269 1 20 . 1 1 22 22 SER C C 22 178.143 178.143 176.382 1.761 18261 14270 1 20 . 1 1 22 22 SER CA C 22 62.256 62.256 61.580 0.677 18261 14271 1 20 . 1 1 22 22 SER CB C 22 62.870 62.870 63.167 -0.297 18261 14272 1 20 . 1 1 22 22 SER H H 22 7.959 7.959 8.185 -0.226 18261 14273 1 20 . 1 1 23 23 PHE N N 23 124.987 124.987 124.745 0.242 18261 14274 1 20 . 1 1 23 23 PHE HA H 23 4.005 4.005 4.116 -0.111 18261 14275 1 20 . 1 1 23 23 PHE C C 23 175.652 175.652 176.789 -1.137 18261 14276 1 20 . 1 1 23 23 PHE CA C 23 60.525 60.525 61.058 -0.533 18261 14277 1 20 . 1 1 23 23 PHE CB C 23 38.899 38.899 39.069 -0.170 18261 14278 1 20 . 1 1 23 23 PHE H H 23 9.045 9.045 8.244 0.801 18261 14279 1 20 . 1 1 24 24 MET N N 24 117.260 117.260 116.937 0.323 18261 14280 1 20 . 1 1 24 24 MET HA H 24 4.040 4.040 3.886 0.154 18261 14281 1 20 . 1 1 24 24 MET C C 24 179.797 179.797 178.551 1.246 18261 14282 1 20 . 1 1 24 24 MET CA C 24 56.047 56.047 58.134 -2.087 18261 14283 1 20 . 1 1 24 24 MET CB C 24 30.308 30.308 31.472 -1.164 18261 14284 1 20 . 1 1 24 24 MET H H 24 8.302 8.302 8.317 -0.015 18261 14285 1 20 . 1 1 25 25 GLN N N 25 120.167 120.167 118.082 2.085 18261 14286 1 20 . 1 1 25 25 GLN HA H 25 3.985 3.985 4.056 -0.071 18261 14287 1 20 . 1 1 25 25 GLN C C 25 179.870 179.870 178.769 1.101 18261 14288 1 20 . 1 1 25 25 GLN CA C 25 59.136 59.136 58.576 0.560 18261 14289 1 20 . 1 1 25 25 GLN CB C 25 28.234 28.234 28.090 0.144 18261 14290 1 20 . 1 1 25 25 GLN H H 25 8.038 8.038 7.894 0.144 18261 14291 1 20 . 1 1 26 26 GLY N N 26 107.636 107.636 105.972 1.664 18261 14292 1 20 . 1 1 26 26 GLY C C 26 176.387 176.387 176.546 -0.159 18261 14293 1 20 . 1 1 26 26 GLY CA C 26 46.911 46.911 45.464 1.447 18261 14294 1 20 . 1 1 26 26 GLY H H 26 8.095 8.095 7.674 0.421 18261 14295 1 20 . 1 1 27 27 LEU N N 27 122.877 122.877 124.403 -1.526 18261 14296 1 20 . 1 1 27 27 LEU HA H 27 3.783 3.783 4.046 -0.263 18261 14297 1 20 . 1 1 27 27 LEU C C 27 178.564 178.564 178.759 -0.195 18261 14298 1 20 . 1 1 27 27 LEU CA C 27 57.262 57.262 56.875 0.387 18261 14299 1 20 . 1 1 27 27 LEU CB C 27 42.076 42.076 41.029 1.047 18261 14300 1 20 . 1 1 27 27 LEU H H 27 8.369 8.369 8.040 0.329 18261 14301 1 20 . 1 1 28 28 SER N N 28 109.474 109.474 112.567 -3.093 18261 14302 1 20 . 1 1 28 28 SER HA H 28 4.138 4.138 4.261 -0.123 18261 14303 1 20 . 1 1 28 28 SER C C 28 174.421 174.421 175.553 -1.132 18261 14304 1 20 . 1 1 28 28 SER CA C 28 61.153 61.153 60.499 0.654 18261 14305 1 20 . 1 1 28 28 SER CB C 28 63.320 63.320 62.995 0.325 18261 14306 1 20 . 1 1 28 28 SER H H 28 7.527 7.527 8.079 -0.552 18261 14307 1 20 . 1 1 29 29 SER N N 29 114.550 114.550 115.518 -0.968 18261 14308 1 20 . 1 1 29 29 SER HA H 29 4.734 4.734 4.484 0.250 18261 14309 1 20 . 1 1 29 29 SER C C 29 173.970 173.970 173.959 0.011 18261 14310 1 20 . 1 1 29 29 SER CA C 29 57.927 57.927 58.234 -0.307 18261 14311 1 20 . 1 1 29 29 SER CB C 29 64.500 64.500 63.825 0.675 18261 14312 1 20 . 1 1 29 29 SER H H 29 7.449 7.449 7.628 -0.179 18261 14313 1 20 . 1 1 30 30 MET N N 30 122.420 122.420 122.495 -0.075 18261 14314 1 20 . 1 1 30 30 MET HA H 30 4.952 4.952 4.914 0.038 18261 14315 1 20 . 1 1 30 30 MET C C 30 174.195 174.195 175.016 -0.821 18261 14316 1 20 . 1 1 30 30 MET CA C 30 53.638 53.638 51.966 1.672 18261 14317 1 20 . 1 1 30 30 MET CB C 30 32.305 32.305 31.433 0.872 18261 14318 1 20 . 1 1 30 30 MET H H 30 7.674 7.674 7.515 0.159 18261 14319 1 20 . 1 1 31 31 PRO HA H 31 4.669 4.669 4.547 0.122 18261 14320 1 20 . 1 1 31 31 PRO CA C 31 62.880 62.880 63.829 -0.949 18261 14321 1 20 . 1 1 31 31 PRO CB C 31 32.742 32.742 31.957 0.785 18261 14322 1 20 . 1 1 32 32 GLY N N 32 106.222 106.222 106.740 -0.518 18261 14323 1 20 . 1 1 32 32 GLY C C 32 172.454 172.454 172.946 -0.492 18261 14324 1 20 . 1 1 32 32 GLY CA C 32 45.608 45.608 45.438 0.170 18261 14325 1 20 . 1 1 32 32 GLY H H 32 8.415 8.415 8.391 0.024 18261 14326 1 20 . 1 1 33 33 PHE N N 33 116.404 116.404 116.757 -0.353 18261 14327 1 20 . 1 1 33 33 PHE HA H 33 5.167 5.167 5.207 -0.040 18261 14328 1 20 . 1 1 33 33 PHE C C 33 176.387 176.387 174.939 1.448 18261 14329 1 20 . 1 1 33 33 PHE CA C 33 56.750 56.750 56.830 -0.080 18261 14330 1 20 . 1 1 33 33 PHE CB C 33 42.080 42.080 42.849 -0.769 18261 14331 1 20 . 1 1 33 33 PHE H H 33 7.871 7.871 7.401 0.470 18261 14332 1 20 . 1 1 34 34 THR N N 34 113.684 113.684 114.808 -1.124 18261 14333 1 20 . 1 1 34 34 THR HA H 34 4.545 4.545 4.581 -0.036 18261 14334 1 20 . 1 1 34 34 THR C C 34 175.066 175.066 175.931 -0.865 18261 14335 1 20 . 1 1 34 34 THR CA C 34 60.339 60.339 59.673 0.666 18261 14336 1 20 . 1 1 34 34 THR CB C 34 70.381 70.381 70.913 -0.532 18261 14337 1 20 . 1 1 34 34 THR H H 34 8.899 8.899 8.367 0.532 18261 14338 1 20 . 1 1 35 35 ALA N N 35 122.927 122.927 125.652 -2.725 18261 14339 1 20 . 1 1 35 35 ALA HA H 35 4.092 4.092 4.222 -0.130 18261 14340 1 20 . 1 1 35 35 ALA C C 35 180.755 180.755 179.712 1.043 18261 14341 1 20 . 1 1 35 35 ALA CA C 35 55.827 55.827 55.469 0.358 18261 14342 1 20 . 1 1 35 35 ALA CB C 35 18.098 18.098 18.691 -0.593 18261 14343 1 20 . 1 1 35 35 ALA H H 35 8.864 8.864 8.686 0.178 18261 14344 1 20 . 1 1 36 36 SER N N 36 112.708 112.708 112.772 -0.064 18261 14345 1 20 . 1 1 36 36 SER HA H 36 4.276 4.276 4.136 0.140 18261 14346 1 20 . 1 1 36 36 SER C C 36 177.033 177.033 176.793 0.240 18261 14347 1 20 . 1 1 36 36 SER CA C 36 61.403 61.403 61.300 0.103 18261 14348 1 20 . 1 1 36 36 SER CB C 36 62.371 62.371 62.944 -0.573 18261 14349 1 20 . 1 1 36 36 SER H H 36 8.389 8.389 8.393 -0.004 18261 14350 1 20 . 1 1 37 37 GLN N N 37 121.595 121.595 120.691 0.904 18261 14351 1 20 . 1 1 37 37 GLN HA H 37 4.272 4.272 4.163 0.109 18261 14352 1 20 . 1 1 37 37 GLN C C 37 179.149 179.149 178.371 0.778 18261 14353 1 20 . 1 1 37 37 GLN CA C 37 58.638 58.638 58.574 0.064 18261 14354 1 20 . 1 1 37 37 GLN CB C 37 29.123 29.123 28.924 0.199 18261 14355 1 20 . 1 1 37 37 GLN H H 37 7.621 7.621 7.525 0.096 18261 14356 1 20 . 1 1 38 38 LEU N N 38 119.852 119.852 121.411 -1.559 18261 14357 1 20 . 1 1 38 38 LEU HA H 38 3.838 3.838 3.877 -0.039 18261 14358 1 20 . 1 1 38 38 LEU C C 38 179.675 179.675 178.854 0.821 18261 14359 1 20 . 1 1 38 38 LEU CA C 38 57.929 57.929 58.223 -0.294 18261 14360 1 20 . 1 1 38 38 LEU CB C 38 40.918 40.918 41.556 -0.638 18261 14361 1 20 . 1 1 38 38 LEU H H 38 8.341 8.341 8.359 -0.018 18261 14362 1 20 . 1 1 39 39 ASP N N 39 122.065 122.065 119.108 2.957 18261 14363 1 20 . 1 1 39 39 ASP HA H 39 4.439 4.439 4.286 0.153 18261 14364 1 20 . 1 1 39 39 ASP C C 39 179.224 179.224 178.001 1.223 18261 14365 1 20 . 1 1 39 39 ASP CA C 39 57.710 57.710 57.905 -0.195 18261 14366 1 20 . 1 1 39 39 ASP CB C 39 40.245 40.245 40.751 -0.506 18261 14367 1 20 . 1 1 39 39 ASP H H 39 7.955 7.955 8.300 -0.345 18261 14368 1 20 . 1 1 40 40 ASP N N 40 121.957 121.957 120.299 1.658 18261 14369 1 20 . 1 1 40 40 ASP HA H 40 4.483 4.483 4.437 0.046 18261 14370 1 20 . 1 1 40 40 ASP C C 40 179.600 179.600 178.355 1.245 18261 14371 1 20 . 1 1 40 40 ASP CA C 40 57.745 57.745 57.162 0.583 18261 14372 1 20 . 1 1 40 40 ASP CB C 40 40.190 40.190 40.934 -0.744 18261 14373 1 20 . 1 1 40 40 ASP H H 40 8.022 8.022 7.469 0.553 18261 14374 1 20 . 1 1 41 41 MET N N 41 121.160 121.160 119.158 2.002 18261 14375 1 20 . 1 1 41 41 MET HA H 41 4.204 4.204 4.069 0.135 18261 14376 1 20 . 1 1 41 41 MET C C 41 177.693 177.693 178.984 -1.291 18261 14377 1 20 . 1 1 41 41 MET CA C 41 57.634 57.634 58.344 -0.710 18261 14378 1 20 . 1 1 41 41 MET CB C 41 31.422 31.422 31.693 -0.271 18261 14379 1 20 . 1 1 41 41 MET H H 41 8.668 8.668 8.358 0.310 18261 14380 1 20 . 1 1 42 42 SER N N 42 116.421 116.421 115.495 0.926 18261 14381 1 20 . 1 1 42 42 SER HA H 42 4.304 4.304 4.286 0.018 18261 14382 1 20 . 1 1 42 42 SER C C 42 177.483 177.483 177.120 0.363 18261 14383 1 20 . 1 1 42 42 SER CA C 42 62.075 62.075 61.991 0.084 18261 14384 1 20 . 1 1 42 42 SER CB C 42 62.765 62.765 62.420 0.345 18261 14385 1 20 . 1 1 42 42 SER H H 42 8.375 8.375 8.803 -0.428 18261 14386 1 20 . 1 1 43 43 THR N N 43 118.797 118.797 119.410 -0.613 18261 14387 1 20 . 1 1 43 43 THR HA H 43 4.042 4.042 4.088 -0.046 18261 14388 1 20 . 1 1 43 43 THR C C 43 177.258 177.258 176.722 0.536 18261 14389 1 20 . 1 1 43 43 THR CA C 43 66.584 66.584 66.800 -0.216 18261 14390 1 20 . 1 1 43 43 THR CB C 43 68.490 68.490 68.648 -0.158 18261 14391 1 20 . 1 1 43 43 THR H H 43 7.928 7.928 7.709 0.219 18261 14392 1 20 . 1 1 44 44 ILE N N 44 122.960 122.960 121.130 1.830 18261 14393 1 20 . 1 1 44 44 ILE HA H 44 3.930 3.930 3.781 0.149 18261 14394 1 20 . 1 1 44 44 ILE C C 44 178.564 178.564 177.728 0.836 18261 14395 1 20 . 1 1 44 44 ILE CA C 44 64.483 64.483 62.831 1.651 18261 14396 1 20 . 1 1 44 44 ILE CB C 44 38.015 38.015 36.463 1.552 18261 14397 1 20 . 1 1 44 44 ILE H H 44 7.863 7.863 8.260 -0.397 18261 14398 1 20 . 1 1 45 45 ALA N N 45 124.792 124.792 122.732 2.060 18261 14399 1 20 . 1 1 45 45 ALA HA H 45 4.122 4.122 4.026 0.096 18261 14400 1 20 . 1 1 45 45 ALA C C 45 179.404 179.404 179.846 -0.442 18261 14401 1 20 . 1 1 45 45 ALA CA C 45 56.009 56.009 55.245 0.764 18261 14402 1 20 . 1 1 45 45 ALA CB C 45 18.908 18.908 18.422 0.486 18261 14403 1 20 . 1 1 45 45 ALA H H 45 8.853 8.853 8.539 0.314 18261 14404 1 20 . 1 1 46 46 GLN N N 46 116.307 116.307 117.011 -0.704 18261 14405 1 20 . 1 1 46 46 GLN HA H 46 4.068 4.068 4.057 0.011 18261 14406 1 20 . 1 1 46 46 GLN C C 46 179.014 179.014 178.618 0.396 18261 14407 1 20 . 1 1 46 46 GLN CA C 46 58.903 58.903 58.227 0.676 18261 14408 1 20 . 1 1 46 46 GLN CB C 46 28.250 28.250 27.847 0.403 18261 14409 1 20 . 1 1 46 46 GLN H H 46 8.238 8.238 8.286 -0.048 18261 14410 1 20 . 1 1 47 47 SER N N 47 115.959 115.959 115.530 0.429 18261 14411 1 20 . 1 1 47 47 SER HA H 47 4.261 4.261 4.125 0.136 18261 14412 1 20 . 1 1 47 47 SER C C 47 177.483 177.483 176.338 1.145 18261 14413 1 20 . 1 1 47 47 SER CA C 47 61.526 61.526 61.949 -0.423 18261 14414 1 20 . 1 1 47 47 SER CB C 47 62.842 62.842 62.706 0.136 18261 14415 1 20 . 1 1 47 47 SER H H 47 8.223 8.223 7.466 0.757 18261 14416 1 20 . 1 1 48 48 MET N N 48 121.963 121.963 120.853 1.110 18261 14417 1 20 . 1 1 48 48 MET HA H 48 4.110 4.110 4.059 0.051 18261 14418 1 20 . 1 1 48 48 MET C C 48 177.798 177.798 178.281 -0.483 18261 14419 1 20 . 1 1 48 48 MET CA C 48 57.531 57.531 59.531 -2.000 18261 14420 1 20 . 1 1 48 48 MET CB C 48 31.169 31.169 32.706 -1.537 18261 14421 1 20 . 1 1 48 48 MET H H 48 8.245 8.245 7.616 0.629 18261 14422 1 20 . 1 1 49 49 VAL N N 49 119.045 119.045 120.581 -1.536 18261 14423 1 20 . 1 1 49 49 VAL HA H 49 3.300 3.300 3.522 -0.222 18261 14424 1 20 . 1 1 49 49 VAL C C 49 177.910 177.910 178.328 -0.418 18261 14425 1 20 . 1 1 49 49 VAL CA C 49 67.811 67.811 66.955 0.856 18261 14426 1 20 . 1 1 49 49 VAL CB C 49 31.370 31.370 31.416 -0.045 18261 14427 1 20 . 1 1 49 49 VAL H H 49 7.809 7.809 8.280 -0.471 18261 14428 1 20 . 1 1 50 50 GLN N N 50 118.357 118.357 118.215 0.142 18261 14429 1 20 . 1 1 50 50 GLN HA H 50 4.091 4.091 4.048 0.043 18261 14430 1 20 . 1 1 50 50 GLN C C 50 179.449 179.449 178.706 0.743 18261 14431 1 20 . 1 1 50 50 GLN CA C 50 59.056 59.056 59.044 0.012 18261 14432 1 20 . 1 1 50 50 GLN CB C 50 28.020 28.020 28.127 -0.106 18261 14433 1 20 . 1 1 50 50 GLN H H 50 8.225 8.225 8.514 -0.289 18261 14434 1 20 . 1 1 51 51 SER N N 51 117.253 117.253 115.405 1.848 18261 14435 1 20 . 1 1 51 51 SER HA H 51 4.235 4.235 4.239 -0.004 18261 14436 1 20 . 1 1 51 51 SER C C 51 176.374 176.374 176.560 -0.186 18261 14437 1 20 . 1 1 51 51 SER CA C 51 62.752 62.752 62.106 0.646 18261 14438 1 20 . 1 1 51 51 SER CB C 51 62.963 62.963 62.862 0.101 18261 14439 1 20 . 1 1 51 51 SER H H 51 8.328 8.328 7.427 0.901 18261 14440 1 20 . 1 1 52 52 ILE N N 52 123.114 123.114 122.382 0.732 18261 14441 1 20 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.658 -0.059 18261 14442 1 20 . 1 1 52 52 ILE C C 52 178.684 178.684 177.426 1.258 18261 14443 1 20 . 1 1 52 52 ILE CA C 52 64.736 64.736 65.063 -0.327 18261 14444 1 20 . 1 1 52 52 ILE CB C 52 37.838 37.838 37.365 0.473 18261 14445 1 20 . 1 1 52 52 ILE H H 52 8.147 8.147 8.164 -0.017 18261 14446 1 20 . 1 1 53 53 GLN N N 53 120.011 120.011 119.128 0.883 18261 14447 1 20 . 1 1 53 53 GLN HA H 53 3.946 3.946 3.999 -0.053 18261 14448 1 20 . 1 1 53 53 GLN C C 53 179.014 179.014 178.832 0.182 18261 14449 1 20 . 1 1 53 53 GLN CA C 53 59.501 59.501 58.751 0.750 18261 14450 1 20 . 1 1 53 53 GLN CB C 53 27.901 27.901 27.974 -0.073 18261 14451 1 20 . 1 1 53 53 GLN H H 53 8.583 8.583 7.990 0.593 18261 14452 1 20 . 1 1 54 54 SER N N 54 115.479 115.479 115.852 -0.373 18261 14453 1 20 . 1 1 54 54 SER HA H 54 4.302 4.302 4.244 0.058 18261 14454 1 20 . 1 1 54 54 SER C C 54 176.822 176.822 176.686 0.136 18261 14455 1 20 . 1 1 54 54 SER CA C 54 61.492 61.492 61.585 -0.093 18261 14456 1 20 . 1 1 54 54 SER CB C 54 62.880 62.880 62.924 -0.044 18261 14457 1 20 . 1 1 54 54 SER H H 54 8.271 8.271 7.516 0.755 18261 14458 1 20 . 1 1 55 55 LEU N N 55 121.519 121.519 121.911 -0.392 18261 14459 1 20 . 1 1 55 55 LEU HA H 55 4.068 4.068 4.039 0.029 18261 14460 1 20 . 1 1 55 55 LEU C C 55 179.434 179.434 178.804 0.630 18261 14461 1 20 . 1 1 55 55 LEU CA C 55 57.793 57.793 57.959 -0.166 18261 14462 1 20 . 1 1 55 55 LEU CB C 55 42.245 42.245 41.452 0.793 18261 14463 1 20 . 1 1 55 55 LEU H H 55 7.974 7.974 7.919 0.055 18261 14464 1 20 . 1 1 56 56 ALA N N 56 121.040 121.040 118.737 2.303 18261 14465 1 20 . 1 1 56 56 ALA HA H 56 4.228 4.228 4.211 0.017 18261 14466 1 20 . 1 1 56 56 ALA C C 56 180.530 180.530 178.026 2.504 18261 14467 1 20 . 1 1 56 56 ALA CA C 56 54.331 54.331 54.054 0.277 18261 14468 1 20 . 1 1 56 56 ALA CB C 56 18.075 18.075 18.731 -0.656 18261 14469 1 20 . 1 1 56 56 ALA H H 56 8.032 8.032 7.937 0.095 18261 14470 1 20 . 1 1 57 57 ALA N N 57 121.325 121.325 121.257 0.068 18261 14471 1 20 . 1 1 57 57 ALA HA H 57 4.219 4.219 4.250 -0.031 18261 14472 1 20 . 1 1 57 57 ALA C C 57 179.344 179.344 179.391 -0.047 18261 14473 1 20 . 1 1 57 57 ALA CA C 57 54.446 54.446 53.413 1.034 18261 14474 1 20 . 1 1 57 57 ALA CB C 57 18.470 18.470 19.701 -1.231 18261 14475 1 20 . 1 1 57 57 ALA H H 57 8.030 8.030 7.611 0.419 18261 14476 1 20 . 1 1 58 58 GLN N N 58 114.257 114.257 117.286 -3.029 18261 14477 1 20 . 1 1 58 58 GLN HA H 58 4.356 4.356 4.225 0.131 18261 14478 1 20 . 1 1 58 58 GLN C C 58 176.612 176.612 176.935 -0.323 18261 14479 1 20 . 1 1 58 58 GLN CA C 58 55.957 55.957 56.710 -0.753 18261 14480 1 20 . 1 1 58 58 GLN CB C 58 29.767 29.767 29.573 0.195 18261 14481 1 20 . 1 1 58 58 GLN H H 58 7.751 7.751 8.403 -0.652 18261 14482 1 20 . 1 1 59 59 GLY N N 59 108.304 108.304 106.960 1.344 18261 14483 1 20 . 1 1 59 59 GLY C C 59 174.856 174.856 174.389 0.467 18261 14484 1 20 . 1 1 59 59 GLY CA C 59 46.197 46.197 45.535 0.662 18261 14485 1 20 . 1 1 59 59 GLY H H 59 7.910 7.910 8.145 -0.235 18261 14486 1 20 . 1 1 60 60 ARG N N 60 118.258 118.258 118.543 -0.285 18261 14487 1 20 . 1 1 60 60 ARG HA H 60 4.553 4.553 4.685 -0.132 18261 14488 1 20 . 1 1 60 60 ARG C C 60 175.847 175.847 176.834 -0.987 18261 14489 1 20 . 1 1 60 60 ARG CA C 60 55.658 55.658 54.184 1.474 18261 14490 1 20 . 1 1 60 60 ARG CB C 60 31.714 31.714 30.938 0.776 18261 14491 1 20 . 1 1 60 60 ARG H H 60 8.108 8.108 7.721 0.387 18261 14492 1 20 . 1 1 61 61 THR N N 61 115.924 115.924 115.507 0.417 18261 14493 1 20 . 1 1 61 61 THR HA H 61 4.785 4.785 3.960 0.825 18261 14494 1 20 . 1 1 61 61 THR C C 61 173.654 173.654 174.354 -0.700 18261 14495 1 20 . 1 1 61 61 THR CA C 61 63.140 63.140 65.901 -2.761 18261 14496 1 20 . 1 1 61 61 THR CB C 61 68.602 68.602 68.859 -0.257 18261 14497 1 20 . 1 1 61 61 THR H H 61 7.970 7.970 8.125 -0.155 18261 14498 1 20 . 1 1 62 62 SER N N 62 119.666 119.666 113.607 6.059 18261 14499 1 20 . 1 1 62 62 SER HA H 62 4.902 4.902 4.257 0.645 18261 14500 1 20 . 1 1 62 62 SER C C 62 173.207 173.207 173.284 -0.077 18261 14501 1 20 . 1 1 62 62 SER CA C 62 56.193 56.193 59.110 -2.917 18261 14502 1 20 . 1 1 62 62 SER CB C 62 63.781 63.781 61.614 2.167 18261 14503 1 20 . 1 1 62 62 SER H H 62 7.788 7.788 8.055 -0.267 18261 14504 1 20 . 1 1 63 63 PRO HA H 63 4.313 4.313 4.502 -0.189 18261 14505 1 20 . 1 1 63 63 PRO CA C 63 65.746 65.746 64.775 0.971 18261 14506 1 20 . 1 1 63 63 PRO CB C 63 32.147 32.147 31.757 0.390 18261 14507 1 20 . 1 1 64 64 ASN HA H 64 4.550 4.550 4.494 0.056 18261 14508 1 20 . 1 1 64 64 ASN CA C 64 56.202 56.202 56.781 -0.578 18261 14509 1 20 . 1 1 64 64 ASN CB C 64 38.000 38.000 38.116 -0.116 18261 14510 1 20 . 1 1 65 65 LYS N N 65 120.530 120.530 121.095 -0.565 18261 14511 1 20 . 1 1 65 65 LYS HA H 65 4.197 4.197 4.050 0.147 18261 14512 1 20 . 1 1 65 65 LYS C C 65 178.999 178.999 178.742 0.257 18261 14513 1 20 . 1 1 65 65 LYS CA C 65 58.250 58.250 59.152 -0.902 18261 14514 1 20 . 1 1 65 65 LYS CB C 65 32.498 32.498 32.047 0.451 18261 14515 1 20 . 1 1 65 65 LYS H H 65 7.770 7.770 7.581 0.189 18261 14516 1 20 . 1 1 66 66 LEU N N 66 118.804 118.804 118.891 -0.087 18261 14517 1 20 . 1 1 66 66 LEU HA H 66 4.070 4.070 4.186 -0.117 18261 14518 1 20 . 1 1 66 66 LEU C C 66 178.928 178.928 178.636 0.292 18261 14519 1 20 . 1 1 66 66 LEU CA C 66 57.928 57.928 57.533 0.395 18261 14520 1 20 . 1 1 66 66 LEU CB C 66 41.329 41.329 41.303 0.026 18261 14521 1 20 . 1 1 66 66 LEU H H 66 7.932 7.932 7.620 0.312 18261 14522 1 20 . 1 1 67 67 GLN N N 67 119.307 119.307 118.513 0.794 18261 14523 1 20 . 1 1 67 67 GLN HA H 67 4.224 4.224 4.138 0.086 18261 14524 1 20 . 1 1 67 67 GLN C C 67 178.789 178.789 178.048 0.741 18261 14525 1 20 . 1 1 67 67 GLN CA C 67 58.862 58.862 58.729 0.133 18261 14526 1 20 . 1 1 67 67 GLN CB C 67 28.052 28.052 29.196 -1.144 18261 14527 1 20 . 1 1 67 67 GLN H H 67 8.160 8.160 7.793 0.367 18261 14528 1 20 . 1 1 68 68 ALA N N 68 122.124 122.124 122.140 -0.016 18261 14529 1 20 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.122 0.068 18261 14530 1 20 . 1 1 68 68 ALA C C 68 180.320 180.320 179.430 0.890 18261 14531 1 20 . 1 1 68 68 ALA CA C 68 55.282 55.282 54.866 0.416 18261 14532 1 20 . 1 1 68 68 ALA CB C 68 18.251 18.251 18.652 -0.401 18261 14533 1 20 . 1 1 68 68 ALA H H 68 7.844 7.844 7.956 -0.112 18261 14534 1 20 . 1 1 69 69 LEU N N 69 119.481 119.481 116.557 2.924 18261 14535 1 20 . 1 1 69 69 LEU HA H 69 3.912 3.912 4.017 -0.105 18261 14536 1 20 . 1 1 69 69 LEU C C 69 178.864 178.864 177.748 1.116 18261 14537 1 20 . 1 1 69 69 LEU CA C 69 57.904 57.904 56.159 1.745 18261 14538 1 20 . 1 1 69 69 LEU CB C 69 41.052 41.052 40.759 0.293 18261 14539 1 20 . 1 1 69 69 LEU H H 69 7.819 7.819 8.584 -0.765 18261 14540 1 20 . 1 1 70 70 ASN N N 70 119.633 119.633 118.664 0.969 18261 14541 1 20 . 1 1 70 70 ASN HA H 70 4.553 4.553 4.796 -0.243 18261 14542 1 20 . 1 1 70 70 ASN C C 70 177.483 177.483 176.830 0.653 18261 14543 1 20 . 1 1 70 70 ASN CA C 70 57.125 57.125 56.242 0.883 18261 14544 1 20 . 1 1 70 70 ASN CB C 70 38.392 38.392 39.500 -1.108 18261 14545 1 20 . 1 1 70 70 ASN H H 70 8.265 8.265 7.992 0.273 18261 14546 1 20 . 1 1 71 71 MET N N 71 118.024 118.024 120.215 -2.191 18261 14547 1 20 . 1 1 71 71 MET HA H 71 4.201 4.201 4.339 -0.138 18261 14548 1 20 . 1 1 71 71 MET C C 71 178.279 178.279 178.216 0.063 18261 14549 1 20 . 1 1 71 71 MET CA C 71 59.445 59.445 59.561 -0.116 18261 14550 1 20 . 1 1 71 71 MET CB C 71 32.313 32.313 32.698 -0.385 18261 14551 1 20 . 1 1 71 71 MET H H 71 8.098 8.098 7.536 0.562 18261 14552 1 20 . 1 1 72 72 ARG N N 72 121.985 121.985 118.869 3.116 18261 14553 1 20 . 1 1 72 72 ARG HA H 72 3.981 3.981 4.005 -0.024 18261 14554 1 20 . 1 1 72 72 ARG C C 72 179.059 179.059 178.809 0.250 18261 14555 1 20 . 1 1 72 72 ARG CA C 72 59.058 59.058 59.215 -0.157 18261 14556 1 20 . 1 1 72 72 ARG CB C 72 30.120 30.120 29.863 0.258 18261 14557 1 20 . 1 1 72 72 ARG H H 72 8.292 8.292 8.396 -0.104 18261 14558 1 20 . 1 1 73 73 PHE N N 73 122.085 122.085 120.052 2.033 18261 14559 1 20 . 1 1 73 73 PHE HA H 73 4.529 4.529 4.113 0.416 18261 14560 1 20 . 1 1 73 73 PHE C C 73 177.258 177.258 176.327 0.931 18261 14561 1 20 . 1 1 73 73 PHE CA C 73 59.248 59.248 60.634 -1.386 18261 14562 1 20 . 1 1 73 73 PHE CB C 73 39.527 39.527 38.632 0.895 18261 14563 1 20 . 1 1 73 73 PHE H H 73 8.703 8.703 7.956 0.747 18261 14564 1 20 . 1 1 74 74 ALA N N 74 119.273 119.273 120.515 -1.242 18261 14565 1 20 . 1 1 74 74 ALA HA H 74 3.764 3.764 3.688 0.076 18261 14566 1 20 . 1 1 74 74 ALA C C 74 179.374 179.374 179.475 -0.101 18261 14567 1 20 . 1 1 74 74 ALA CA C 74 55.324 55.324 54.960 0.364 18261 14568 1 20 . 1 1 74 74 ALA CB C 74 20.509 20.509 18.435 2.074 18261 14569 1 20 . 1 1 74 74 ALA H H 74 8.598 8.598 7.684 0.913 18261 14570 1 20 . 1 1 75 75 SER N N 75 113.611 113.611 112.903 0.708 18261 14571 1 20 . 1 1 75 75 SER HA H 75 3.636 3.636 4.154 -0.518 18261 14572 1 20 . 1 1 75 75 SER CA C 75 61.936 61.936 61.262 0.674 18261 14573 1 20 . 1 1 75 75 SER CB C 75 61.869 61.869 62.447 -0.577 18261 14574 1 20 . 1 1 75 75 SER H H 75 8.780 8.780 8.141 0.639 18261 14575 1 20 . 1 1 76 76 SER N N 76 119.013 119.013 120.195 -1.182 18261 14576 1 20 . 1 1 76 76 SER HA H 76 4.310 4.310 4.219 0.091 18261 14577 1 20 . 1 1 76 76 SER CA C 76 62.536 62.536 61.790 0.746 18261 14578 1 20 . 1 1 76 76 SER CB C 76 62.943 62.943 63.040 -0.097 18261 14579 1 20 . 1 1 76 76 SER H H 76 8.210 8.210 7.613 0.597 18261 14580 1 20 . 1 1 77 77 MET N N 77 120.105 120.105 120.698 -0.593 18261 14581 1 20 . 1 1 77 77 MET HA H 77 4.027 4.027 4.240 -0.213 18261 14582 1 20 . 1 1 77 77 MET C C 77 178.354 178.354 178.014 0.340 18261 14583 1 20 . 1 1 77 77 MET CA C 77 59.954 59.954 57.988 1.966 18261 14584 1 20 . 1 1 77 77 MET CB C 77 34.616 34.616 32.306 2.310 18261 14585 1 20 . 1 1 77 77 MET H H 77 8.005 8.005 7.450 0.555 18261 14586 1 20 . 1 1 78 78 ALA N N 78 121.530 121.530 123.157 -1.627 18261 14587 1 20 . 1 1 78 78 ALA HA H 78 3.933 3.933 3.999 -0.066 18261 14588 1 20 . 1 1 78 78 ALA C C 78 178.354 178.354 179.634 -1.280 18261 14589 1 20 . 1 1 78 78 ALA CA C 78 55.427 55.427 55.568 -0.141 18261 14590 1 20 . 1 1 78 78 ALA CB C 78 20.344 20.344 17.980 2.364 18261 14591 1 20 . 1 1 78 78 ALA H H 78 8.550 8.550 7.952 0.598 18261 14592 1 20 . 1 1 79 79 GLU N N 79 117.137 117.137 118.573 -1.436 18261 14593 1 20 . 1 1 79 79 GLU HA H 79 3.919 3.919 3.973 -0.054 18261 14594 1 20 . 1 1 79 79 GLU C C 79 178.894 178.894 179.129 -0.235 18261 14595 1 20 . 1 1 79 79 GLU CA C 79 59.445 59.445 59.375 0.070 18261 14596 1 20 . 1 1 79 79 GLU CB C 79 29.895 29.895 29.680 0.215 18261 14597 1 20 . 1 1 79 79 GLU H H 79 7.737 7.737 7.781 -0.044 18261 14598 1 20 . 1 1 80 80 ILE N N 80 118.063 118.063 119.371 -1.308 18261 14599 1 20 . 1 1 80 80 ILE HA H 80 3.932 3.932 3.750 0.182 18261 14600 1 20 . 1 1 80 80 ILE C C 80 179.014 179.014 178.745 0.269 18261 14601 1 20 . 1 1 80 80 ILE CA C 80 63.727 63.727 64.825 -1.097 18261 14602 1 20 . 1 1 80 80 ILE CB C 80 38.208 38.208 37.810 0.398 18261 14603 1 20 . 1 1 80 80 ILE H H 80 7.239 7.239 7.346 -0.107 18261 14604 1 20 . 1 1 81 81 ALA N N 81 121.494 121.494 122.662 -1.168 18261 14605 1 20 . 1 1 81 81 ALA HA H 81 3.961 3.961 4.328 -0.367 18261 14606 1 20 . 1 1 81 81 ALA C C 81 177.258 177.258 179.180 -1.922 18261 14607 1 20 . 1 1 81 81 ALA CA C 81 54.668 54.668 54.754 -0.086 18261 14608 1 20 . 1 1 81 81 ALA CB C 81 17.887 17.887 18.673 -0.786 18261 14609 1 20 . 1 1 81 81 ALA H H 81 8.495 8.495 8.587 -0.092 18261 14610 1 20 . 1 1 82 82 ALA N N 82 116.416 116.416 117.829 -1.413 18261 14611 1 20 . 1 1 82 82 ALA HA H 82 4.316 4.316 4.249 0.067 18261 14612 1 20 . 1 1 82 82 ALA C C 82 177.693 177.693 177.706 -0.013 18261 14613 1 20 . 1 1 82 82 ALA CA C 82 52.630 52.630 52.890 -0.260 18261 14614 1 20 . 1 1 82 82 ALA CB C 82 19.224 19.224 18.254 0.970 18261 14615 1 20 . 1 1 82 82 ALA H H 82 8.034 8.034 8.148 -0.114 18261 14616 1 20 . 1 1 83 83 SER N N 83 112.672 112.672 113.755 -1.083 18261 14617 1 20 . 1 1 83 83 SER HA H 83 4.299 4.299 4.287 0.012 18261 14618 1 20 . 1 1 83 83 SER C C 83 174.856 174.856 174.586 0.270 18261 14619 1 20 . 1 1 83 83 SER CA C 83 59.329 59.329 58.999 0.330 18261 14620 1 20 . 1 1 83 83 SER CB C 83 63.943 63.943 63.717 0.226 18261 14621 1 20 . 1 1 83 83 SER H H 83 7.437 7.437 7.447 -0.010 18261 14622 1 20 . 1 1 84 84 GLU N N 84 122.890 122.890 119.261 3.629 18261 14623 1 20 . 1 1 84 84 GLU HA H 84 4.420 4.420 3.922 0.498 18261 14624 1 20 . 1 1 84 84 GLU C C 84 176.597 176.597 174.766 1.831 18261 14625 1 20 . 1 1 84 84 GLU CA C 84 56.586 56.586 57.434 -0.848 18261 14626 1 20 . 1 1 84 84 GLU CB C 84 30.648 30.648 28.696 1.952 18261 14627 1 20 . 1 1 84 84 GLU H H 84 8.245 8.245 7.656 0.589 18261 14628 1 20 . 1 1 85 85 GLU N N 85 122.062 122.062 124.982 -2.920 18261 14629 1 20 . 1 1 85 85 GLU HA H 85 4.285 4.285 4.468 -0.183 18261 14630 1 20 . 1 1 85 85 GLU C C 85 177.258 177.258 176.696 0.562 18261 14631 1 20 . 1 1 85 85 GLU CA C 85 57.128 57.128 55.860 1.268 18261 14632 1 20 . 1 1 85 85 GLU CB C 85 30.121 30.121 31.678 -1.557 18261 14633 1 20 . 1 1 85 85 GLU H H 85 8.477 8.477 8.277 0.200 18261 14634 1 20 . 1 1 86 86 GLY N N 86 110.431 110.431 114.036 -3.605 18261 14635 1 20 . 1 1 86 86 GLY C C 86 174.856 174.856 173.846 1.010 18261 14636 1 20 . 1 1 86 86 GLY CA C 86 45.654 45.654 45.240 0.414 18261 14637 1 20 . 1 1 86 86 GLY H H 86 8.563 8.563 8.616 -0.053 18261 14638 1 20 . 1 1 87 87 GLY N N 87 108.508 108.508 108.677 -0.169 18261 14639 1 20 . 1 1 87 87 GLY C C 87 174.436 174.436 172.391 2.045 18261 14640 1 20 . 1 1 87 87 GLY CA C 87 45.396 45.396 44.741 0.655 18261 14641 1 20 . 1 1 87 87 GLY H H 87 8.274 8.274 8.012 0.262 18261 14642 1 20 . 1 1 88 88 GLY N N 88 107.821 107.821 107.288 0.533 18261 14643 1 20 . 1 1 88 88 GLY C C 88 173.325 173.325 174.056 -0.731 18261 14644 1 20 . 1 1 88 88 GLY CA C 88 44.814 44.814 44.752 0.062 18261 14645 1 20 . 1 1 88 88 GLY H H 88 8.105 8.105 8.200 -0.095 18261 14646 1 20 . 1 1 89 89 SER N N 89 115.747 115.747 118.577 -2.830 18261 14647 1 20 . 1 1 89 89 SER HA H 89 4.582 4.582 4.514 0.068 18261 14648 1 20 . 1 1 89 89 SER C C 89 175.066 175.066 175.751 -0.685 18261 14649 1 20 . 1 1 89 89 SER CA C 89 57.256 57.256 56.202 1.054 18261 14650 1 20 . 1 1 89 89 SER CB C 89 65.130 65.130 64.422 0.708 18261 14651 1 20 . 1 1 89 89 SER H H 89 8.476 8.476 7.977 0.499 18261 14652 1 20 . 1 1 90 90 LEU N N 90 124.735 124.735 122.081 2.654 18261 14653 1 20 . 1 1 90 90 LEU HA H 90 4.106 4.106 4.164 -0.058 18261 14654 1 20 . 1 1 90 90 LEU C C 90 179.434 179.434 178.306 1.128 18261 14655 1 20 . 1 1 90 90 LEU CA C 90 58.434 58.434 57.678 0.756 18261 14656 1 20 . 1 1 90 90 LEU CB C 90 41.377 41.377 41.837 -0.461 18261 14657 1 20 . 1 1 90 90 LEU H H 90 8.860 8.860 8.858 0.002 18261 14658 1 20 . 1 1 91 91 SER N N 91 113.851 113.851 113.412 0.439 18261 14659 1 20 . 1 1 91 91 SER C C 91 177.325 177.325 175.694 1.631 18261 14660 1 20 . 1 1 91 91 SER CA C 91 61.261 61.261 61.612 -0.351 18261 14661 1 20 . 1 1 91 91 SER CB C 91 62.010 62.010 62.784 -0.774 18261 14662 1 20 . 1 1 91 91 SER H H 91 8.537 8.537 8.054 0.483 18261 14663 1 20 . 1 1 92 92 THR N N 92 120.889 120.889 117.879 3.010 18261 14664 1 20 . 1 1 92 92 THR HA H 92 3.993 3.993 4.220 -0.227 18261 14665 1 20 . 1 1 92 92 THR C C 92 176.162 176.162 176.743 -0.581 18261 14666 1 20 . 1 1 92 92 THR CA C 92 66.467 66.467 65.467 1.000 18261 14667 1 20 . 1 1 92 92 THR CB C 92 68.285 68.285 68.746 -0.460 18261 14668 1 20 . 1 1 92 92 THR H H 92 7.795 7.795 7.481 0.314 18261 14669 1 20 . 1 1 93 93 LYS N N 93 120.210 120.210 122.567 -2.357 18261 14670 1 20 . 1 1 93 93 LYS HA H 93 3.798 3.798 3.731 0.067 18261 14671 1 20 . 1 1 93 93 LYS CA C 93 61.044 61.044 59.959 1.085 18261 14672 1 20 . 1 1 93 93 LYS CB C 93 33.470 33.470 32.101 1.369 18261 14673 1 20 . 1 1 93 93 LYS H H 93 8.098 8.098 8.020 0.078 18261 14674 1 20 . 1 1 94 94 THR N N 94 111.485 111.485 113.083 -1.598 18261 14675 1 20 . 1 1 94 94 THR HA H 94 3.936 3.936 4.102 -0.166 18261 14676 1 20 . 1 1 94 94 THR C C 94 177.033 177.033 176.752 0.281 18261 14677 1 20 . 1 1 94 94 THR CA C 94 66.974 66.974 66.600 0.374 18261 14678 1 20 . 1 1 94 94 THR CB C 94 68.013 68.013 68.115 -0.102 18261 14679 1 20 . 1 1 94 94 THR H H 94 8.891 8.891 8.291 0.600 18261 14680 1 20 . 1 1 95 95 SER N N 95 118.938 118.938 118.677 0.261 18261 14681 1 20 . 1 1 95 95 SER HA H 95 4.394 4.394 4.201 0.193 18261 14682 1 20 . 1 1 95 95 SER C C 95 177.828 177.828 176.916 0.912 18261 14683 1 20 . 1 1 95 95 SER CA C 95 61.990 61.990 61.311 0.679 18261 14684 1 20 . 1 1 95 95 SER CB C 95 62.580 62.580 62.733 -0.153 18261 14685 1 20 . 1 1 95 95 SER H H 95 8.118 8.118 7.901 0.217 18261 14686 1 20 . 1 1 96 96 SER N N 96 121.520 121.520 118.856 2.664 18261 14687 1 20 . 1 1 96 96 SER HA H 96 4.457 4.457 4.231 0.226 18261 14688 1 20 . 1 1 96 96 SER CA C 96 62.695 62.695 62.395 0.300 18261 14689 1 20 . 1 1 96 96 SER CB C 96 62.796 62.796 63.059 -0.263 18261 14690 1 20 . 1 1 96 96 SER H H 96 8.603 8.603 7.695 0.908 18261 14691 1 20 . 1 1 97 97 ILE N N 97 122.420 122.420 122.201 0.219 18261 14692 1 20 . 1 1 97 97 ILE HA H 97 3.792 3.792 3.749 0.043 18261 14693 1 20 . 1 1 97 97 ILE C C 97 177.693 177.693 177.967 -0.274 18261 14694 1 20 . 1 1 97 97 ILE CA C 97 66.722 66.722 65.732 0.990 18261 14695 1 20 . 1 1 97 97 ILE CB C 97 38.645 38.645 37.830 0.815 18261 14696 1 20 . 1 1 97 97 ILE H H 97 8.516 8.516 7.929 0.587 18261 14697 1 20 . 1 1 98 98 ALA N N 98 122.031 122.031 122.149 -0.118 18261 14698 1 20 . 1 1 98 98 ALA HA H 98 4.063 4.063 4.146 -0.083 18261 14699 1 20 . 1 1 98 98 ALA C C 98 180.740 180.740 179.724 1.016 18261 14700 1 20 . 1 1 98 98 ALA CA C 98 56.158 56.158 54.987 1.171 18261 14701 1 20 . 1 1 98 98 ALA CB C 98 18.347 18.347 18.147 0.200 18261 14702 1 20 . 1 1 98 98 ALA H H 98 8.437 8.437 7.951 0.486 18261 14703 1 20 . 1 1 99 99 SER N N 99 115.676 115.676 114.395 1.281 18261 14704 1 20 . 1 1 99 99 SER HA H 99 4.369 4.369 4.200 0.169 18261 14705 1 20 . 1 1 99 99 SER C C 99 177.168 177.168 176.609 0.559 18261 14706 1 20 . 1 1 99 99 SER CA C 99 61.959 61.959 61.306 0.653 18261 14707 1 20 . 1 1 99 99 SER CB C 99 63.160 63.160 62.914 0.246 18261 14708 1 20 . 1 1 99 99 SER H H 99 8.611 8.611 8.260 0.351 18261 14709 1 20 . 1 1 100 100 ALA N N 100 124.275 124.275 124.405 -0.130 18261 14710 1 20 . 1 1 100 100 ALA HA H 100 4.243 4.243 4.037 0.206 18261 14711 1 20 . 1 1 100 100 ALA C C 100 181.851 181.851 179.581 2.270 18261 14712 1 20 . 1 1 100 100 ALA CA C 100 55.321 55.321 54.918 0.403 18261 14713 1 20 . 1 1 100 100 ALA CB C 100 18.479 18.479 18.332 0.147 18261 14714 1 20 . 1 1 100 100 ALA H H 100 8.973 8.973 7.671 1.302 18261 14715 1 20 . 1 1 101 101 MET N N 101 118.986 118.986 118.984 0.002 18261 14716 1 20 . 1 1 101 101 MET HA H 101 4.063 4.063 4.124 -0.061 18261 14717 1 20 . 1 1 101 101 MET C C 101 177.483 177.483 178.707 -1.224 18261 14718 1 20 . 1 1 101 101 MET CA C 101 60.999 60.999 60.133 0.866 18261 14719 1 20 . 1 1 101 101 MET CB C 101 34.583 34.583 32.914 1.669 18261 14720 1 20 . 1 1 101 101 MET H H 101 9.072 9.072 8.734 0.338 18261 14721 1 20 . 1 1 102 102 SER N N 102 116.650 116.650 114.854 1.796 18261 14722 1 20 . 1 1 102 102 SER HA H 102 4.370 4.370 4.163 0.207 18261 14723 1 20 . 1 1 102 102 SER C C 102 176.357 176.357 176.697 -0.340 18261 14724 1 20 . 1 1 102 102 SER CA C 102 63.278 63.278 62.288 0.990 18261 14725 1 20 . 1 1 102 102 SER CB C 102 62.523 62.523 63.276 -0.753 18261 14726 1 20 . 1 1 102 102 SER H H 102 8.673 8.673 8.644 0.029 18261 14727 1 20 . 1 1 103 103 ASN N N 103 118.060 118.060 119.920 -1.860 18261 14728 1 20 . 1 1 103 103 ASN HA H 103 4.477 4.477 4.513 -0.036 18261 14729 1 20 . 1 1 103 103 ASN C C 103 176.603 176.603 177.398 -0.795 18261 14730 1 20 . 1 1 103 103 ASN CA C 103 56.564 56.564 55.812 0.752 18261 14731 1 20 . 1 1 103 103 ASN CB C 103 38.362 38.362 38.392 -0.030 18261 14732 1 20 . 1 1 103 103 ASN H H 103 8.098 8.098 8.030 0.068 18261 14733 1 20 . 1 1 104 104 ALA N N 104 122.235 122.235 122.357 -0.122 18261 14734 1 20 . 1 1 104 104 ALA HA H 104 4.255 4.255 4.049 0.206 18261 14735 1 20 . 1 1 104 104 ALA C C 104 181.701 181.701 179.852 1.849 18261 14736 1 20 . 1 1 104 104 ALA CA C 104 54.815 54.815 55.027 -0.212 18261 14737 1 20 . 1 1 104 104 ALA CB C 104 18.177 18.177 18.286 -0.109 18261 14738 1 20 . 1 1 104 104 ALA H H 104 7.919 7.919 8.038 -0.119 18261 14739 1 20 . 1 1 105 105 PHE N N 105 119.159 119.159 120.347 -1.188 18261 14740 1 20 . 1 1 105 105 PHE HA H 105 4.401 4.401 4.660 -0.259 18261 14741 1 20 . 1 1 105 105 PHE C C 105 179.224 179.224 177.716 1.508 18261 14742 1 20 . 1 1 105 105 PHE CA C 105 63.744 63.744 60.346 3.397 18261 14743 1 20 . 1 1 105 105 PHE CB C 105 39.417 39.417 39.755 -0.338 18261 14744 1 20 . 1 1 105 105 PHE H H 105 8.615 8.615 8.547 0.068 18261 14745 1 20 . 1 1 106 106 LEU N N 106 121.765 121.765 119.070 2.695 18261 14746 1 20 . 1 1 106 106 LEU HA H 106 3.741 3.741 4.073 -0.332 18261 14747 1 20 . 1 1 106 106 LEU C C 106 179.074 179.074 178.408 0.666 18261 14748 1 20 . 1 1 106 106 LEU CA C 106 59.086 59.086 58.056 1.030 18261 14749 1 20 . 1 1 106 106 LEU CB C 106 41.265 41.265 41.787 -0.522 18261 14750 1 20 . 1 1 106 106 LEU H H 106 8.259 8.259 8.083 0.176 18261 14751 1 20 . 1 1 107 107 GLN N N 107 114.755 114.755 116.616 -1.861 18261 14752 1 20 . 1 1 107 107 GLN HA H 107 4.189 4.189 4.333 -0.144 18261 14753 1 20 . 1 1 107 107 GLN C C 107 176.822 176.822 177.119 -0.297 18261 14754 1 20 . 1 1 107 107 GLN CA C 107 57.461 57.461 57.652 -0.191 18261 14755 1 20 . 1 1 107 107 GLN CB C 107 29.393 29.393 28.489 0.903 18261 14756 1 20 . 1 1 107 107 GLN H H 107 8.176 8.176 7.851 0.325 18261 14757 1 20 . 1 1 108 108 THR N N 108 108.074 108.074 110.655 -2.581 18261 14758 1 20 . 1 1 108 108 THR HA H 108 4.517 4.517 4.322 0.195 18261 14759 1 20 . 1 1 108 108 THR C C 108 175.952 175.952 175.623 0.329 18261 14760 1 20 . 1 1 108 108 THR CA C 108 62.526 62.526 64.122 -1.596 18261 14761 1 20 . 1 1 108 108 THR CB C 108 70.320 70.320 69.216 1.104 18261 14762 1 20 . 1 1 108 108 THR H H 108 7.740 7.740 7.134 0.606 18261 14763 1 20 . 1 1 109 109 THR N N 109 113.029 113.029 113.512 -0.483 18261 14764 1 20 . 1 1 109 109 THR HA H 109 4.620 4.620 4.277 0.343 18261 14765 1 20 . 1 1 109 109 THR C C 109 176.162 176.162 175.501 0.661 18261 14766 1 20 . 1 1 109 109 THR CA C 109 62.255 62.255 61.277 0.978 18261 14767 1 20 . 1 1 109 109 THR CB C 109 70.768 70.768 69.440 1.328 18261 14768 1 20 . 1 1 109 109 THR H H 109 8.869 8.869 7.439 1.430 18261 14769 1 20 . 1 1 110 110 GLY N N 110 109.433 109.433 110.444 -1.011 18261 14770 1 20 . 1 1 110 110 GLY C C 110 172.889 172.889 173.529 -0.640 18261 14771 1 20 . 1 1 110 110 GLY CA C 110 45.555 45.555 45.667 -0.112 18261 14772 1 20 . 1 1 110 110 GLY H H 110 8.298 8.298 7.734 0.564 18261 14773 1 20 . 1 1 111 111 VAL N N 111 119.167 119.167 120.011 -0.844 18261 14774 1 20 . 1 1 111 111 VAL HA H 111 4.266 4.266 4.289 -0.023 18261 14775 1 20 . 1 1 111 111 VAL C C 111 174.421 174.421 175.194 -0.773 18261 14776 1 20 . 1 1 111 111 VAL CA C 111 60.783 60.783 60.102 0.681 18261 14777 1 20 . 1 1 111 111 VAL CB C 111 35.394 35.394 34.730 0.664 18261 14778 1 20 . 1 1 111 111 VAL H H 111 7.786 7.786 7.179 0.607 18261 14779 1 20 . 1 1 112 112 VAL N N 112 124.920 124.920 123.029 1.891 18261 14780 1 20 . 1 1 112 112 VAL HA H 112 3.251 3.251 4.330 -1.079 18261 14781 1 20 . 1 1 112 112 VAL C C 112 174.646 174.646 175.546 -0.900 18261 14782 1 20 . 1 1 112 112 VAL CA C 112 64.409 64.409 61.538 2.871 18261 14783 1 20 . 1 1 112 112 VAL CB C 112 32.626 32.626 32.289 0.337 18261 14784 1 20 . 1 1 112 112 VAL H H 112 8.721 8.721 8.315 0.406 18261 14785 1 20 . 1 1 113 113 ASN HA H 113 4.505 4.505 4.739 -0.234 18261 14786 1 20 . 1 1 113 113 ASN CA C 113 50.080 50.080 51.895 -1.815 18261 14787 1 20 . 1 1 113 113 ASN CB C 113 36.910 36.910 37.781 -0.871 18261 14788 1 20 . 1 1 114 114 GLN N N 114 123.939 123.939 126.164 -2.225 18261 14789 1 20 . 1 1 114 114 GLN HA H 114 3.944 3.944 4.337 -0.393 18261 14790 1 20 . 1 1 114 114 GLN C C 114 174.811 174.811 175.146 -0.335 18261 14791 1 20 . 1 1 114 114 GLN CA C 114 59.348 59.348 60.332 -0.984 18261 14792 1 20 . 1 1 114 114 GLN CB C 114 26.505 26.505 27.134 -0.629 18261 14793 1 20 . 1 1 114 114 GLN H H 114 8.368 8.368 8.090 0.278 18261 14794 1 20 . 1 1 115 115 PRO HA H 115 4.243 4.243 4.157 0.086 18261 14795 1 20 . 1 1 115 115 PRO CA C 115 66.602 66.602 65.846 0.756 18261 14796 1 20 . 1 1 115 115 PRO CB C 115 31.215 31.215 31.304 -0.089 18261 14797 1 20 . 1 1 116 116 PHE N N 116 117.612 117.612 115.653 1.959 18261 14798 1 20 . 1 1 116 116 PHE HA H 116 4.209 4.209 4.651 -0.442 18261 14799 1 20 . 1 1 116 116 PHE C C 116 176.597 176.597 178.394 -1.797 18261 14800 1 20 . 1 1 116 116 PHE CA C 116 61.261 61.261 60.898 0.363 18261 14801 1 20 . 1 1 116 116 PHE CB C 116 39.506 39.506 38.752 0.754 18261 14802 1 20 . 1 1 116 116 PHE H H 116 7.249 7.249 8.304 -1.055 18261 14803 1 20 . 1 1 117 117 ILE N N 117 119.233 119.233 120.727 -1.494 18261 14804 1 20 . 1 1 117 117 ILE HA H 117 3.537 3.537 3.700 -0.163 18261 14805 1 20 . 1 1 117 117 ILE C C 117 178.789 178.789 178.228 0.561 18261 14806 1 20 . 1 1 117 117 ILE CA C 117 65.677 65.677 65.402 0.275 18261 14807 1 20 . 1 1 117 117 ILE CB C 117 38.125 38.125 37.437 0.688 18261 14808 1 20 . 1 1 117 117 ILE H H 117 7.652 7.652 7.551 0.101 18261 14809 1 20 . 1 1 118 118 ASN N N 118 119.875 119.875 119.036 0.839 18261 14810 1 20 . 1 1 118 118 ASN HA H 118 4.304 4.304 4.586 -0.282 18261 14811 1 20 . 1 1 118 118 ASN C C 118 177.033 177.033 177.897 -0.864 18261 14812 1 20 . 1 1 118 118 ASN CA C 118 55.716 55.716 56.633 -0.917 18261 14813 1 20 . 1 1 118 118 ASN CB C 118 37.423 37.423 38.434 -1.011 18261 14814 1 20 . 1 1 118 118 ASN H H 118 8.975 8.975 8.196 0.779 18261 14815 1 20 . 1 1 119 119 GLU N N 119 121.029 121.029 121.206 -0.177 18261 14816 1 20 . 1 1 119 119 GLU HA H 119 4.026 4.026 4.066 -0.040 18261 14817 1 20 . 1 1 119 119 GLU C C 119 178.564 178.564 178.916 -0.352 18261 14818 1 20 . 1 1 119 119 GLU CA C 119 59.426 59.426 59.337 0.089 18261 14819 1 20 . 1 1 119 119 GLU CB C 119 29.646 29.646 29.686 -0.040 18261 14820 1 20 . 1 1 119 119 GLU H H 119 8.120 8.120 7.457 0.663 18261 14821 1 20 . 1 1 120 120 ILE N N 120 117.654 117.654 119.895 -2.241 18261 14822 1 20 . 1 1 120 120 ILE HA H 120 3.734 3.734 3.908 -0.174 18261 14823 1 20 . 1 1 120 120 ILE C C 120 178.279 178.279 178.309 -0.030 18261 14824 1 20 . 1 1 120 120 ILE CA C 120 62.756 62.756 65.077 -2.321 18261 14825 1 20 . 1 1 120 120 ILE CB C 120 35.645 35.645 38.117 -2.472 18261 14826 1 20 . 1 1 120 120 ILE H H 120 8.077 8.077 8.074 0.003 18261 14827 1 20 . 1 1 121 121 THR N N 121 112.585 112.585 114.378 -1.793 18261 14828 1 20 . 1 1 121 121 THR HA H 121 3.753 3.753 3.897 -0.144 18261 14829 1 20 . 1 1 121 121 THR C C 121 177.258 177.258 176.828 0.430 18261 14830 1 20 . 1 1 121 121 THR CA C 121 67.090 67.090 66.390 0.700 18261 14831 1 20 . 1 1 121 121 THR CB C 121 68.254 68.254 68.414 -0.160 18261 14832 1 20 . 1 1 121 121 THR H H 121 8.640 8.640 8.307 0.333 18261 14833 1 20 . 1 1 122 122 GLN N N 122 123.063 123.063 120.787 2.276 18261 14834 1 20 . 1 1 122 122 GLN HA H 122 4.091 4.091 4.114 -0.023 18261 14835 1 20 . 1 1 122 122 GLN C C 122 179.014 179.014 178.666 0.348 18261 14836 1 20 . 1 1 122 122 GLN CA C 122 59.192 59.192 58.372 0.820 18261 14837 1 20 . 1 1 122 122 GLN CB C 122 28.020 28.020 28.184 -0.164 18261 14838 1 20 . 1 1 122 122 GLN H H 122 8.111 8.111 7.606 0.505 18261 14839 1 20 . 1 1 123 123 LEU N N 123 120.494 120.494 120.736 -0.242 18261 14840 1 20 . 1 1 123 123 LEU HA H 123 3.841 3.841 3.978 -0.137 18261 14841 1 20 . 1 1 123 123 LEU C C 123 178.354 178.354 179.189 -0.835 18261 14842 1 20 . 1 1 123 123 LEU CA C 123 58.005 58.005 58.032 -0.027 18261 14843 1 20 . 1 1 123 123 LEU CB C 123 42.580 42.580 41.544 1.036 18261 14844 1 20 . 1 1 123 123 LEU H H 123 8.131 8.131 7.885 0.246 18261 14845 1 20 . 1 1 124 124 VAL N N 124 118.543 118.543 120.709 -2.166 18261 14846 1 20 . 1 1 124 124 VAL HA H 124 3.560 3.560 3.805 -0.245 18261 14847 1 20 . 1 1 124 124 VAL C C 124 177.453 177.453 178.467 -1.014 18261 14848 1 20 . 1 1 124 124 VAL CA C 124 67.297 67.297 67.112 0.185 18261 14849 1 20 . 1 1 124 124 VAL CB C 124 31.526 31.526 31.396 0.130 18261 14850 1 20 . 1 1 124 124 VAL H H 124 8.732 8.732 8.711 0.021 18261 14851 1 20 . 1 1 125 125 SER N N 125 112.449 112.449 114.366 -1.917 18261 14852 1 20 . 1 1 125 125 SER HA H 125 4.044 4.044 4.115 -0.071 18261 14853 1 20 . 1 1 125 125 SER C C 125 175.937 175.937 176.819 -0.882 18261 14854 1 20 . 1 1 125 125 SER CA C 125 62.356 62.356 61.546 0.810 18261 14855 1 20 . 1 1 125 125 SER CB C 125 62.890 62.890 63.046 -0.156 18261 14856 1 20 . 1 1 125 125 SER H H 125 7.863 7.863 7.842 0.021 18261 14857 1 20 . 1 1 126 126 MET N N 126 120.797 120.797 122.099 -1.302 18261 14858 1 20 . 1 1 126 126 MET HA H 126 4.051 4.051 4.120 -0.069 18261 14859 1 20 . 1 1 126 126 MET C C 126 179.254 179.254 178.186 1.068 18261 14860 1 20 . 1 1 126 126 MET CA C 126 58.939 58.939 58.304 0.635 18261 14861 1 20 . 1 1 126 126 MET CB C 126 32.625 32.625 32.131 0.494 18261 14862 1 20 . 1 1 126 126 MET H H 126 8.033 8.033 8.123 -0.090 18261 14863 1 20 . 1 1 127 127 PHE N N 127 118.244 118.244 117.414 0.830 18261 14864 1 20 . 1 1 127 127 PHE HA H 127 4.398 4.398 4.251 0.147 18261 14865 1 20 . 1 1 127 127 PHE C C 127 178.128 178.128 176.607 1.521 18261 14866 1 20 . 1 1 127 127 PHE CA C 127 59.991 59.991 60.674 -0.683 18261 14867 1 20 . 1 1 127 127 PHE CB C 127 38.584 38.584 38.137 0.447 18261 14868 1 20 . 1 1 127 127 PHE H H 127 8.753 8.753 8.437 0.316 18261 14869 1 20 . 1 1 128 128 ALA N N 128 120.518 120.518 121.552 -1.034 18261 14870 1 20 . 1 1 128 128 ALA HA H 128 4.152 4.152 4.052 0.100 18261 14871 1 20 . 1 1 128 128 ALA C C 128 178.789 178.789 179.751 -0.962 18261 14872 1 20 . 1 1 128 128 ALA CA C 128 54.570 54.570 54.683 -0.113 18261 14873 1 20 . 1 1 128 128 ALA CB C 128 19.373 19.373 18.798 0.575 18261 14874 1 20 . 1 1 128 128 ALA H H 128 8.681 8.681 7.941 0.740 18261 14875 1 20 . 1 1 129 129 GLN N N 129 115.315 115.315 118.168 -2.853 18261 14876 1 20 . 1 1 129 129 GLN HA H 129 4.197 4.197 4.037 0.160 18261 14877 1 20 . 1 1 129 129 GLN C C 129 177.258 177.258 178.357 -1.099 18261 14878 1 20 . 1 1 129 129 GLN CA C 129 57.519 57.519 58.605 -1.087 18261 14879 1 20 . 1 1 129 129 GLN CB C 129 29.271 29.271 28.762 0.509 18261 14880 1 20 . 1 1 129 129 GLN H H 129 7.835 7.835 8.219 -0.384 18261 14881 1 20 . 1 1 130 130 ALA N N 130 121.556 121.556 119.644 1.912 18261 14882 1 20 . 1 1 130 130 ALA HA H 130 4.285 4.285 4.343 -0.058 18261 14883 1 20 . 1 1 130 130 ALA C C 130 178.564 178.564 178.183 0.381 18261 14884 1 20 . 1 1 130 130 ALA CA C 130 53.823 53.823 53.293 0.530 18261 14885 1 20 . 1 1 130 130 ALA CB C 130 19.058 19.058 18.663 0.395 18261 14886 1 20 . 1 1 130 130 ALA H H 130 7.758 7.758 7.647 0.111 18261 14887 1 20 . 1 1 131 131 GLY N N 131 105.780 105.780 106.357 -0.577 18261 14888 1 20 . 1 1 131 131 GLY C C 131 173.970 173.970 175.590 -1.620 18261 14889 1 20 . 1 1 131 131 GLY CA C 131 45.702 45.702 45.628 0.074 18261 14890 1 20 . 1 1 131 131 GLY H H 131 8.222 8.222 7.894 0.328 18261 14891 1 20 . 1 1 132 132 MET N N 132 118.358 118.358 119.849 -1.491 18261 14892 1 20 . 1 1 132 132 MET HA H 132 4.540 4.540 4.188 0.352 18261 14893 1 20 . 1 1 132 132 MET C C 132 175.952 175.952 176.346 -0.394 18261 14894 1 20 . 1 1 132 132 MET CA C 132 55.611 55.611 58.689 -3.078 18261 14895 1 20 . 1 1 132 132 MET CB C 132 33.473 33.473 33.489 -0.015 18261 14896 1 20 . 1 1 132 132 MET H H 132 7.763 7.763 7.671 0.092 18261 14897 1 20 . 1 1 133 133 ASN N N 133 119.002 119.002 117.918 1.084 18261 14898 1 20 . 1 1 133 133 ASN HA H 133 4.725 4.725 4.941 -0.216 18261 14899 1 20 . 1 1 133 133 ASN C C 133 174.646 174.646 173.639 1.007 18261 14900 1 20 . 1 1 133 133 ASN CA C 133 53.512 53.512 52.338 1.174 18261 14901 1 20 . 1 1 133 133 ASN CB C 133 39.301 39.301 41.257 -1.956 18261 14902 1 20 . 1 1 133 133 ASN H H 133 8.289 8.289 7.727 0.562 18261 14903 1 20 . 1 1 134 134 ASP N N 134 120.907 120.907 125.294 -4.387 18261 14904 1 20 . 1 1 134 134 ASP HA H 134 4.659 4.659 4.578 0.081 18261 14905 1 20 . 1 1 134 134 ASP C C 134 176.162 176.162 175.534 0.628 18261 14906 1 20 . 1 1 134 134 ASP CA C 134 54.379 54.379 55.861 -1.482 18261 14907 1 20 . 1 1 134 134 ASP CB C 134 41.291 41.291 40.083 1.208 18261 14908 1 20 . 1 1 134 134 ASP H H 134 8.364 8.364 8.757 -0.393 18261 14909 1 20 . 1 1 135 135 VAL N N 135 119.971 119.971 121.730 -1.759 18261 14910 1 20 . 1 1 135 135 VAL HA H 135 4.214 4.214 4.258 -0.044 18261 14911 1 20 . 1 1 135 135 VAL C C 135 176.162 176.162 175.828 0.334 18261 14912 1 20 . 1 1 135 135 VAL CA C 135 62.157 62.157 61.273 0.884 18261 14913 1 20 . 1 1 135 135 VAL CB C 135 32.644 32.644 32.683 -0.039 18261 14914 1 20 . 1 1 135 135 VAL H H 135 8.118 8.118 7.877 0.241 18261 14915 1 20 . 1 1 136 136 SER N N 136 119.918 119.918 115.350 4.568 18261 14916 1 20 . 1 1 136 136 SER HA H 136 4.462 4.462 4.147 0.315 18261 14917 1 20 . 1 1 136 136 SER C C 136 173.325 173.325 174.382 -1.057 18261 14918 1 20 . 1 1 136 136 SER CA C 136 58.342 58.342 59.010 -0.667 18261 14919 1 20 . 1 1 136 136 SER CB C 136 64.041 64.041 61.758 2.283 18261 14920 1 20 . 1 1 136 136 SER H H 136 8.410 8.410 8.499 -0.089 18261 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 124 1.893 0.261 1.882 18261 2 1 1 "Average Difference" HA 140 0.236 -0.018 0.236 18261 3 1 1 "Average Difference" C 120 0.952 -0.141 0.945 18261 4 1 1 "Average Difference" CA 133 0.960 -0.176 0.947 18261 5 1 1 "Average Difference" CB 123 0.875 -0.199 0.855 18261 6 1 1 "Average Difference" HN 124 0.455 -0.203 0.409 18261 7 1 2 "Average Difference" N 124 1.930 0.325 1.910 18261 8 1 2 "Average Difference" HA 140 0.209 -0.003 0.210 18261 9 1 2 "Average Difference" C 120 0.927 -0.227 0.902 18261 10 1 2 "Average Difference" CA 133 0.891 -0.159 0.880 18261 11 1 2 "Average Difference" CB 123 0.883 -0.136 0.876 18261 12 1 2 "Average Difference" HN 124 0.421 -0.139 0.399 18261 13 1 3 "Average Difference" N 124 1.874 0.375 1.844 18261 14 1 3 "Average Difference" HA 140 0.216 -0.006 0.217 18261 15 1 3 "Average Difference" C 120 0.923 -0.141 0.916 18261 16 1 3 "Average Difference" CA 133 0.964 -0.150 0.956 18261 17 1 3 "Average Difference" CB 123 0.956 -0.247 0.927 18261 18 1 3 "Average Difference" HN 124 0.423 -0.153 0.395 18261 19 1 4 "Average Difference" N 124 2.030 0.232 2.025 18261 20 1 4 "Average Difference" HA 140 0.224 -0.005 0.225 18261 21 1 4 "Average Difference" C 120 0.904 -0.100 0.902 18261 22 1 4 "Average Difference" CA 133 1.007 -0.165 0.997 18261 23 1 4 "Average Difference" CB 123 0.916 -0.193 0.899 18261 24 1 4 "Average Difference" HN 124 0.438 -0.097 0.428 18261 25 1 5 "Average Difference" N 124 2.079 0.269 2.070 18261 26 1 5 "Average Difference" HA 140 0.204 -0.019 0.204 18261 27 1 5 "Average Difference" C 120 0.957 -0.168 0.946 18261 28 1 5 "Average Difference" CA 133 0.953 -0.217 0.931 18261 29 1 5 "Average Difference" CB 123 0.949 -0.213 0.929 18261 30 1 5 "Average Difference" HN 124 0.436 -0.169 0.404 18261 31 1 6 "Average Difference" N 124 2.292 0.574 2.228 18261 32 1 6 "Average Difference" HA 140 0.198 0.003 0.199 18261 33 1 6 "Average Difference" C 120 0.986 -0.215 0.966 18261 34 1 6 "Average Difference" CA 133 0.939 -0.229 0.914 18261 35 1 6 "Average Difference" CB 123 0.922 -0.149 0.914 18261 36 1 6 "Average Difference" HN 124 0.451 -0.162 0.423 18261 37 1 7 "Average Difference" N 124 2.009 0.290 1.996 18261 38 1 7 "Average Difference" HA 140 0.203 -0.021 0.203 18261 39 1 7 "Average Difference" C 120 0.976 -0.193 0.961 18261 40 1 7 "Average Difference" CA 133 0.913 -0.204 0.893 18261 41 1 7 "Average Difference" CB 123 0.849 -0.191 0.830 18261 42 1 7 "Average Difference" HN 124 0.419 -0.171 0.384 18261 43 1 8 "Average Difference" N 124 2.428 0.465 2.393 18261 44 1 8 "Average Difference" HA 140 0.198 0.014 0.198 18261 45 1 8 "Average Difference" C 120 1.044 -0.258 1.016 18261 46 1 8 "Average Difference" CA 133 0.980 -0.294 0.939 18261 47 1 8 "Average Difference" CB 123 0.883 -0.126 0.878 18261 48 1 8 "Average Difference" HN 124 0.437 -0.152 0.412 18261 49 1 9 "Average Difference" N 124 2.100 0.363 2.077 18261 50 1 9 "Average Difference" HA 140 0.236 0.002 0.237 18261 51 1 9 "Average Difference" C 120 0.925 -0.169 0.914 18261 52 1 9 "Average Difference" CA 133 0.975 -0.197 0.958 18261 53 1 9 "Average Difference" CB 123 0.890 -0.206 0.869 18261 54 1 9 "Average Difference" HN 124 0.455 -0.198 0.411 18261 55 1 10 "Average Difference" N 124 2.108 0.273 2.099 18261 56 1 10 "Average Difference" HA 140 0.233 0.016 0.233 18261 57 1 10 "Average Difference" C 120 0.961 -0.243 0.934 18261 58 1 10 "Average Difference" CA 133 1.006 -0.198 0.990 18261 59 1 10 "Average Difference" CB 123 0.926 -0.155 0.916 18261 60 1 10 "Average Difference" HN 124 0.429 -0.152 0.403 18261 61 1 11 "Average Difference" N 124 2.244 0.313 2.231 18261 62 1 11 "Average Difference" HA 140 0.215 -0.002 0.216 18261 63 1 11 "Average Difference" C 120 0.956 -0.202 0.938 18261 64 1 11 "Average Difference" CA 133 1.012 -0.303 0.970 18261 65 1 11 "Average Difference" CB 123 0.886 -0.202 0.866 18261 66 1 11 "Average Difference" HN 124 0.465 -0.153 0.441 18261 67 1 12 "Average Difference" N 124 2.080 0.206 2.078 18261 68 1 12 "Average Difference" HA 140 0.235 0.004 0.236 18261 69 1 12 "Average Difference" C 120 0.882 -0.213 0.859 18261 70 1 12 "Average Difference" CA 133 0.988 -0.280 0.951 18261 71 1 12 "Average Difference" CB 123 0.921 -0.145 0.913 18261 72 1 12 "Average Difference" HN 124 0.492 -0.212 0.445 18261 73 1 13 "Average Difference" N 124 2.228 0.253 2.223 18261 74 1 13 "Average Difference" HA 140 0.243 0.001 0.244 18261 75 1 13 "Average Difference" C 120 0.954 -0.144 0.947 18261 76 1 13 "Average Difference" CA 133 1.033 -0.273 0.999 18261 77 1 13 "Average Difference" CB 123 0.836 -0.164 0.823 18261 78 1 13 "Average Difference" HN 124 0.463 -0.215 0.412 18261 79 1 14 "Average Difference" N 124 2.250 0.139 2.255 18261 80 1 14 "Average Difference" HA 140 0.231 -0.006 0.232 18261 81 1 14 "Average Difference" C 120 0.897 -0.132 0.891 18261 82 1 14 "Average Difference" CA 133 1.018 -0.168 1.008 18261 83 1 14 "Average Difference" CB 123 0.946 -0.184 0.932 18261 84 1 14 "Average Difference" HN 124 0.434 -0.204 0.385 18261 85 1 15 "Average Difference" N 124 2.226 0.161 2.229 18261 86 1 15 "Average Difference" HA 140 0.220 0.020 0.220 18261 87 1 15 "Average Difference" C 120 0.967 -0.173 0.955 18261 88 1 15 "Average Difference" CA 133 0.962 -0.251 0.932 18261 89 1 15 "Average Difference" CB 123 0.876 -0.187 0.859 18261 90 1 15 "Average Difference" HN 124 0.440 -0.172 0.406 18261 91 1 16 "Average Difference" N 124 2.223 0.281 2.214 18261 92 1 16 "Average Difference" HA 140 0.224 0.001 0.225 18261 93 1 16 "Average Difference" C 120 0.953 -0.173 0.941 18261 94 1 16 "Average Difference" CA 133 1.018 -0.263 0.987 18261 95 1 16 "Average Difference" CB 123 0.863 -0.177 0.849 18261 96 1 16 "Average Difference" HN 124 0.446 -0.141 0.425 18261 97 1 17 "Average Difference" N 124 2.183 0.239 2.179 18261 98 1 17 "Average Difference" HA 140 0.246 -0.004 0.247 18261 99 1 17 "Average Difference" C 120 1.044 -0.252 1.017 18261 100 1 17 "Average Difference" CA 133 0.978 -0.250 0.949 18261 101 1 17 "Average Difference" CB 123 0.874 -0.179 0.859 18261 102 1 17 "Average Difference" HN 124 0.404 -0.148 0.377 18261 103 1 18 "Average Difference" N 124 2.276 0.413 2.247 18261 104 1 18 "Average Difference" HA 140 0.230 0.007 0.231 18261 105 1 18 "Average Difference" C 120 0.958 -0.212 0.938 18261 106 1 18 "Average Difference" CA 133 0.984 -0.286 0.945 18261 107 1 18 "Average Difference" CB 123 0.909 -0.113 0.905 18261 108 1 18 "Average Difference" HN 124 0.435 -0.131 0.417 18261 109 1 19 "Average Difference" N 124 2.116 0.269 2.107 18261 110 1 19 "Average Difference" HA 140 0.214 -0.008 0.215 18261 111 1 19 "Average Difference" C 120 0.933 -0.150 0.924 18261 112 1 19 "Average Difference" CA 133 0.955 -0.262 0.922 18261 113 1 19 "Average Difference" CB 123 0.884 -0.189 0.867 18261 114 1 19 "Average Difference" HN 124 0.401 -0.156 0.371 18261 115 1 20 "Average Difference" N 124 2.081 0.201 2.079 18261 116 1 20 "Average Difference" HA 140 0.243 -0.019 0.244 18261 117 1 20 "Average Difference" C 120 1.012 -0.169 1.002 18261 118 1 20 "Average Difference" CA 133 1.024 -0.139 1.018 18261 119 1 20 "Average Difference" CB 123 0.891 -0.134 0.885 18261 120 1 20 "Average Difference" HN 124 0.460 -0.179 0.425 18261 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 18261 _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 3 3 GLY CA C 3 45.200 45.200 44.967 0.233 18261 2 1 . 1 1 4 4 ASN N N 4 124.083 124.083 120.046 4.037 18261 3 1 . 1 1 4 4 ASN HA H 4 4.530 4.530 4.697 -0.167 18261 4 1 . 1 1 4 4 ASN C C 4 179.449 179.449 175.537 3.912 18261 5 1 . 1 1 4 4 ASN CA C 4 54.803 54.803 53.977 0.826 18261 6 1 . 1 1 4 4 ASN CB C 4 41.106 41.106 39.136 1.970 18261 7 1 . 1 1 4 4 ASN H H 4 7.981 7.981 8.293 -0.312 18261 8 1 . 1 1 6 6 HIS HA H 6 4.693 4.693 4.610 0.083 18261 9 1 . 1 1 6 6 HIS CA C 6 56.115 56.115 55.648 0.467 18261 10 1 . 1 1 6 6 HIS CB C 6 31.011 31.011 29.935 1.076 18261 11 1 . 1 1 7 7 THR N N 7 115.238 115.238 120.266 -5.028 18261 12 1 . 1 1 7 7 THR HA H 7 4.318 4.318 4.325 -0.006 18261 13 1 . 1 1 7 7 THR C C 7 173.970 173.970 173.602 0.368 18261 14 1 . 1 1 7 7 THR CA C 7 62.099 62.099 62.223 -0.124 18261 15 1 . 1 1 7 7 THR CB C 7 69.779 69.779 68.878 0.901 18261 16 1 . 1 1 7 7 THR H H 7 8.120 8.120 8.238 -0.118 18261 17 1 . 1 1 8 8 THR N N 8 115.713 115.713 120.983 -5.270 18261 18 1 . 1 1 8 8 THR HA H 8 4.146 4.146 4.269 -0.123 18261 19 1 . 1 1 8 8 THR C C 8 172.664 172.664 173.316 -0.652 18261 20 1 . 1 1 8 8 THR CA C 8 58.349 58.349 58.851 -0.502 18261 21 1 . 1 1 8 8 THR CB C 8 69.219 69.219 70.267 -1.048 18261 22 1 . 1 1 8 8 THR H H 8 7.977 7.977 7.886 0.090 18261 23 1 . 1 1 9 9 PRO HA H 9 3.939 3.939 4.048 -0.109 18261 24 1 . 1 1 9 9 PRO CA C 9 62.965 62.965 63.986 -1.021 18261 25 1 . 1 1 9 9 PRO CB C 9 30.610 30.610 30.747 -0.137 18261 26 1 . 1 1 10 10 TRP N N 10 111.487 111.487 114.778 -3.291 18261 27 1 . 1 1 10 10 TRP HA H 10 4.899 4.899 4.620 0.279 18261 28 1 . 1 1 10 10 TRP C C 10 175.817 175.817 176.705 -0.888 18261 29 1 . 1 1 10 10 TRP CA C 10 54.292 54.292 55.573 -1.281 18261 30 1 . 1 1 10 10 TRP CB C 10 31.219 31.219 28.836 2.383 18261 31 1 . 1 1 10 10 TRP H H 10 6.681 6.681 7.114 -0.433 18261 32 1 . 1 1 11 11 THR N N 11 106.120 106.120 113.263 -7.143 18261 33 1 . 1 1 11 11 THR HA H 11 3.905 3.905 4.133 -0.228 18261 34 1 . 1 1 11 11 THR C C 11 173.970 173.970 174.483 -0.513 18261 35 1 . 1 1 11 11 THR CA C 11 63.937 63.937 64.202 -0.265 18261 36 1 . 1 1 11 11 THR CB C 11 69.242 69.242 69.156 0.086 18261 37 1 . 1 1 11 11 THR H H 11 7.189 7.189 7.488 -0.299 18261 38 1 . 1 1 12 12 ASN N N 12 116.403 116.403 117.649 -1.246 18261 39 1 . 1 1 12 12 ASN HA H 12 5.115 5.115 5.104 0.011 18261 40 1 . 1 1 12 12 ASN C C 12 172.889 172.889 173.867 -0.978 18261 41 1 . 1 1 12 12 ASN CA C 12 51.276 51.276 50.656 0.620 18261 42 1 . 1 1 12 12 ASN CB C 12 40.474 40.474 40.223 0.251 18261 43 1 . 1 1 12 12 ASN H H 12 7.282 7.282 7.780 -0.498 18261 44 1 . 1 1 13 13 PRO HA H 13 4.210 4.210 4.363 -0.153 18261 45 1 . 1 1 13 13 PRO CA C 13 65.516 65.516 65.802 -0.286 18261 46 1 . 1 1 13 13 PRO CB C 13 32.418 32.418 32.076 0.342 18261 47 1 . 1 1 14 14 GLY N N 14 108.796 108.796 106.190 2.606 18261 48 1 . 1 1 14 14 GLY C C 14 175.952 175.952 176.160 -0.208 18261 49 1 . 1 1 14 14 GLY CA C 14 47.073 47.073 46.629 0.444 18261 50 1 . 1 1 14 14 GLY H H 14 8.363 8.363 8.522 -0.159 18261 51 1 . 1 1 15 15 LEU N N 15 124.473 124.473 123.047 1.426 18261 52 1 . 1 1 15 15 LEU HA H 15 4.335 4.335 4.225 0.110 18261 53 1 . 1 1 15 15 LEU C C 15 178.564 178.564 178.430 0.134 18261 54 1 . 1 1 15 15 LEU CA C 15 57.402 57.402 56.902 0.500 18261 55 1 . 1 1 15 15 LEU CB C 15 41.600 41.600 41.629 -0.029 18261 56 1 . 1 1 15 15 LEU H H 15 7.890 7.890 7.539 0.351 18261 57 1 . 1 1 16 16 ALA N N 16 121.371 121.371 121.976 -0.605 18261 58 1 . 1 1 16 16 ALA HA H 16 4.000 4.000 4.106 -0.106 18261 59 1 . 1 1 16 16 ALA C C 16 179.104 179.104 179.652 -0.548 18261 60 1 . 1 1 16 16 ALA CA C 16 56.360 56.360 55.463 0.897 18261 61 1 . 1 1 16 16 ALA CB C 16 19.351 19.351 18.382 0.969 18261 62 1 . 1 1 16 16 ALA H H 16 8.429 8.429 8.327 0.102 18261 63 1 . 1 1 17 17 GLU N N 17 117.199 117.199 118.692 -1.493 18261 64 1 . 1 1 17 17 GLU HA H 17 3.964 3.964 3.993 -0.029 18261 65 1 . 1 1 17 17 GLU C C 17 177.993 177.993 179.007 -1.014 18261 66 1 . 1 1 17 17 GLU CA C 17 59.543 59.543 59.552 -0.009 18261 67 1 . 1 1 17 17 GLU CB C 17 29.932 29.932 29.456 0.476 18261 68 1 . 1 1 17 17 GLU H H 17 8.030 8.030 8.292 -0.262 18261 69 1 . 1 1 18 18 ASN N N 18 118.433 118.433 118.275 0.158 18261 70 1 . 1 1 18 18 ASN HA H 18 4.546 4.546 4.533 0.013 18261 71 1 . 1 1 18 18 ASN C C 18 178.347 178.347 177.650 0.697 18261 72 1 . 1 1 18 18 ASN CA C 18 56.226 56.226 56.230 -0.004 18261 73 1 . 1 1 18 18 ASN CB C 18 38.124 38.124 38.570 -0.446 18261 74 1 . 1 1 18 18 ASN H H 18 8.075 8.075 7.968 0.107 18261 75 1 . 1 1 19 19 PHE N N 19 122.078 122.078 123.693 -1.615 18261 76 1 . 1 1 19 19 PHE HA H 19 3.881 3.881 4.215 -0.334 18261 77 1 . 1 1 19 19 PHE C C 19 176.837 176.837 177.327 -0.490 18261 78 1 . 1 1 19 19 PHE CA C 19 62.230 62.230 61.879 0.351 18261 79 1 . 1 1 19 19 PHE CB C 19 39.450 39.450 39.184 0.266 18261 80 1 . 1 1 19 19 PHE H H 19 9.623 9.623 8.714 0.909 18261 81 1 . 1 1 20 20 MET N N 20 118.264 118.264 117.082 1.182 18261 82 1 . 1 1 20 20 MET HA H 20 4.424 4.424 4.088 0.336 18261 83 1 . 1 1 20 20 MET C C 20 178.924 178.924 178.665 0.259 18261 84 1 . 1 1 20 20 MET CA C 20 57.480 57.480 57.480 0.000 18261 85 1 . 1 1 20 20 MET CB C 20 31.929 31.929 31.212 0.717 18261 86 1 . 1 1 20 20 MET H H 20 8.865 8.865 8.492 0.373 18261 87 1 . 1 1 21 21 ASN N N 21 118.455 118.455 119.351 -0.896 18261 88 1 . 1 1 21 21 ASN HA H 21 4.542 4.542 4.440 0.102 18261 89 1 . 1 1 21 21 ASN C C 21 178.249 178.249 177.816 0.433 18261 90 1 . 1 1 21 21 ASN CA C 21 56.305 56.305 57.051 -0.746 18261 91 1 . 1 1 21 21 ASN CB C 21 37.916 37.916 38.518 -0.602 18261 92 1 . 1 1 21 21 ASN H H 21 8.453 8.453 8.220 0.233 18261 93 1 . 1 1 22 22 SER N N 22 116.036 116.036 115.970 0.066 18261 94 1 . 1 1 22 22 SER HA H 22 4.196 4.196 4.321 -0.125 18261 95 1 . 1 1 22 22 SER C C 22 178.143 178.143 176.452 1.691 18261 96 1 . 1 1 22 22 SER CA C 22 62.256 62.256 61.351 0.905 18261 97 1 . 1 1 22 22 SER CB C 22 62.870 62.870 63.004 -0.134 18261 98 1 . 1 1 22 22 SER H H 22 7.959 7.959 8.239 -0.280 18261 99 1 . 1 1 23 23 PHE N N 23 124.987 124.987 124.736 0.251 18261 100 1 . 1 1 23 23 PHE HA H 23 4.005 4.005 4.099 -0.094 18261 101 1 . 1 1 23 23 PHE C C 23 175.652 175.652 176.957 -1.305 18261 102 1 . 1 1 23 23 PHE CA C 23 60.525 60.525 61.198 -0.673 18261 103 1 . 1 1 23 23 PHE CB C 23 38.899 38.899 38.953 -0.054 18261 104 1 . 1 1 23 23 PHE H H 23 9.045 9.045 8.333 0.712 18261 105 1 . 1 1 24 24 MET N N 24 117.260 117.260 116.909 0.351 18261 106 1 . 1 1 24 24 MET HA H 24 4.040 4.040 3.833 0.207 18261 107 1 . 1 1 24 24 MET C C 24 179.797 179.797 178.554 1.243 18261 108 1 . 1 1 24 24 MET CA C 24 56.047 56.047 57.112 -1.065 18261 109 1 . 1 1 24 24 MET CB C 24 30.308 30.308 31.275 -0.967 18261 110 1 . 1 1 24 24 MET H H 24 8.302 8.302 8.292 0.010 18261 111 1 . 1 1 25 25 GLN N N 25 120.167 120.167 118.558 1.609 18261 112 1 . 1 1 25 25 GLN HA H 25 3.985 3.985 4.058 -0.073 18261 113 1 . 1 1 25 25 GLN C C 25 179.870 179.870 178.601 1.269 18261 114 1 . 1 1 25 25 GLN CA C 25 59.136 59.136 58.740 0.396 18261 115 1 . 1 1 25 25 GLN CB C 25 28.234 28.234 28.394 -0.160 18261 116 1 . 1 1 25 25 GLN H H 25 8.038 8.038 7.982 0.056 18261 117 1 . 1 1 26 26 GLY N N 26 107.636 107.636 106.686 0.950 18261 118 1 . 1 1 26 26 GLY C C 26 176.387 176.387 176.297 0.090 18261 119 1 . 1 1 26 26 GLY CA C 26 46.911 46.911 45.835 1.076 18261 120 1 . 1 1 26 26 GLY H H 26 8.095 8.095 7.825 0.270 18261 121 1 . 1 1 27 27 LEU N N 27 122.877 122.877 123.877 -1.000 18261 122 1 . 1 1 27 27 LEU HA H 27 3.783 3.783 3.994 -0.211 18261 123 1 . 1 1 27 27 LEU C C 27 178.564 178.564 178.665 -0.101 18261 124 1 . 1 1 27 27 LEU CA C 27 57.262 57.262 56.939 0.323 18261 125 1 . 1 1 27 27 LEU CB C 27 42.076 42.076 41.287 0.789 18261 126 1 . 1 1 27 27 LEU H H 27 8.369 8.369 8.112 0.257 18261 127 1 . 1 1 28 28 SER N N 28 109.474 109.474 113.448 -3.974 18261 128 1 . 1 1 28 28 SER HA H 28 4.138 4.138 4.263 -0.125 18261 129 1 . 1 1 28 28 SER C C 28 174.421 174.421 175.343 -0.922 18261 130 1 . 1 1 28 28 SER CA C 28 61.153 61.153 60.628 0.525 18261 131 1 . 1 1 28 28 SER CB C 28 63.320 63.320 62.914 0.406 18261 132 1 . 1 1 28 28 SER H H 28 7.527 7.527 8.202 -0.675 18261 133 1 . 1 1 29 29 SER N N 29 114.550 114.550 115.452 -0.902 18261 134 1 . 1 1 29 29 SER HA H 29 4.734 4.734 4.564 0.170 18261 135 1 . 1 1 29 29 SER C C 29 173.970 173.970 173.935 0.035 18261 136 1 . 1 1 29 29 SER CA C 29 57.927 57.927 58.474 -0.547 18261 137 1 . 1 1 29 29 SER CB C 29 64.500 64.500 63.922 0.578 18261 138 1 . 1 1 29 29 SER H H 29 7.449 7.449 7.631 -0.182 18261 139 1 . 1 1 30 30 MET N N 30 122.420 122.420 122.443 -0.023 18261 140 1 . 1 1 30 30 MET HA H 30 4.952 4.952 4.873 0.079 18261 141 1 . 1 1 30 30 MET C C 30 174.195 174.195 174.263 -0.068 18261 142 1 . 1 1 30 30 MET CA C 30 53.638 53.638 51.571 2.067 18261 143 1 . 1 1 30 30 MET CB C 30 32.305 32.305 31.909 0.396 18261 144 1 . 1 1 30 30 MET H H 30 7.674 7.674 7.638 0.036 18261 145 1 . 1 1 31 31 PRO HA H 31 4.669 4.669 4.512 0.157 18261 146 1 . 1 1 31 31 PRO CA C 31 62.880 62.880 63.318 -0.438 18261 147 1 . 1 1 31 31 PRO CB C 31 32.742 32.742 32.073 0.669 18261 148 1 . 1 1 32 32 GLY N N 32 106.222 106.222 108.868 -2.646 18261 149 1 . 1 1 32 32 GLY C C 32 172.454 172.454 173.407 -0.953 18261 150 1 . 1 1 32 32 GLY CA C 32 45.608 45.608 45.065 0.543 18261 151 1 . 1 1 32 32 GLY H H 32 8.415 8.415 8.369 0.046 18261 152 1 . 1 1 33 33 PHE N N 33 116.404 116.404 118.957 -2.553 18261 153 1 . 1 1 33 33 PHE HA H 33 5.167 5.167 5.030 0.137 18261 154 1 . 1 1 33 33 PHE C C 33 176.387 176.387 175.197 1.190 18261 155 1 . 1 1 33 33 PHE CA C 33 56.750 56.750 57.354 -0.604 18261 156 1 . 1 1 33 33 PHE CB C 33 42.080 42.080 41.459 0.621 18261 157 1 . 1 1 33 33 PHE H H 33 7.871 7.871 7.496 0.376 18261 158 1 . 1 1 34 34 THR N N 34 113.684 113.684 113.929 -0.246 18261 159 1 . 1 1 34 34 THR HA H 34 4.545 4.545 4.594 -0.049 18261 160 1 . 1 1 34 34 THR C C 34 175.066 175.066 175.105 -0.039 18261 161 1 . 1 1 34 34 THR CA C 34 60.339 60.339 59.671 0.668 18261 162 1 . 1 1 34 34 THR CB C 34 70.381 70.381 71.072 -0.691 18261 163 1 . 1 1 34 34 THR H H 34 8.899 8.899 8.238 0.661 18261 164 1 . 1 1 35 35 ALA N N 35 122.927 122.927 125.799 -2.872 18261 165 1 . 1 1 35 35 ALA HA H 35 4.092 4.092 4.137 -0.045 18261 166 1 . 1 1 35 35 ALA C C 35 180.755 180.755 179.535 1.220 18261 167 1 . 1 1 35 35 ALA CA C 35 55.827 55.827 55.310 0.517 18261 168 1 . 1 1 35 35 ALA CB C 35 18.098 18.098 18.693 -0.595 18261 169 1 . 1 1 35 35 ALA H H 35 8.864 8.864 8.768 0.096 18261 170 1 . 1 1 36 36 SER N N 36 112.708 112.708 113.571 -0.863 18261 171 1 . 1 1 36 36 SER HA H 36 4.276 4.276 4.125 0.151 18261 172 1 . 1 1 36 36 SER C C 36 177.033 177.033 176.737 0.296 18261 173 1 . 1 1 36 36 SER CA C 36 61.403 61.403 61.523 -0.120 18261 174 1 . 1 1 36 36 SER CB C 36 62.371 62.371 62.856 -0.485 18261 175 1 . 1 1 36 36 SER H H 36 8.389 8.389 8.154 0.235 18261 176 1 . 1 1 37 37 GLN N N 37 121.595 121.595 121.067 0.528 18261 177 1 . 1 1 37 37 GLN HA H 37 4.272 4.272 4.184 0.088 18261 178 1 . 1 1 37 37 GLN C C 37 179.149 179.149 178.553 0.596 18261 179 1 . 1 1 37 37 GLN CA C 37 58.638 58.638 58.653 -0.015 18261 180 1 . 1 1 37 37 GLN CB C 37 29.123 29.123 28.649 0.474 18261 181 1 . 1 1 37 37 GLN H H 37 7.621 7.621 7.731 -0.110 18261 182 1 . 1 1 38 38 LEU N N 38 119.852 119.852 121.051 -1.199 18261 183 1 . 1 1 38 38 LEU HA H 38 3.838 3.838 3.892 -0.054 18261 184 1 . 1 1 38 38 LEU C C 38 179.675 179.675 178.778 0.897 18261 185 1 . 1 1 38 38 LEU CA C 38 57.929 57.929 58.153 -0.224 18261 186 1 . 1 1 38 38 LEU CB C 38 40.918 40.918 41.559 -0.641 18261 187 1 . 1 1 38 38 LEU H H 38 8.341 8.341 8.449 -0.108 18261 188 1 . 1 1 39 39 ASP N N 39 122.065 122.065 119.737 2.328 18261 189 1 . 1 1 39 39 ASP HA H 39 4.439 4.439 4.272 0.167 18261 190 1 . 1 1 39 39 ASP C C 39 179.224 179.224 178.232 0.992 18261 191 1 . 1 1 39 39 ASP CA C 39 57.710 57.710 58.113 -0.403 18261 192 1 . 1 1 39 39 ASP CB C 39 40.245 40.245 40.768 -0.524 18261 193 1 . 1 1 39 39 ASP H H 39 7.955 7.955 8.289 -0.334 18261 194 1 . 1 1 40 40 ASP N N 40 121.957 121.957 120.053 1.904 18261 195 1 . 1 1 40 40 ASP HA H 40 4.483 4.483 4.394 0.089 18261 196 1 . 1 1 40 40 ASP C C 40 179.600 179.600 178.437 1.163 18261 197 1 . 1 1 40 40 ASP CA C 40 57.745 57.745 57.492 0.253 18261 198 1 . 1 1 40 40 ASP CB C 40 40.190 40.190 40.920 -0.730 18261 199 1 . 1 1 40 40 ASP H H 40 8.022 8.022 7.777 0.245 18261 200 1 . 1 1 41 41 MET N N 41 121.160 121.160 119.738 1.422 18261 201 1 . 1 1 41 41 MET HA H 41 4.204 4.204 4.058 0.146 18261 202 1 . 1 1 41 41 MET C C 41 177.693 177.693 178.181 -0.488 18261 203 1 . 1 1 41 41 MET CA C 41 57.634 57.634 59.047 -1.413 18261 204 1 . 1 1 41 41 MET CB C 41 31.422 31.422 32.551 -1.129 18261 205 1 . 1 1 41 41 MET H H 41 8.668 8.668 8.100 0.568 18261 206 1 . 1 1 42 42 SER N N 42 116.421 116.421 114.688 1.733 18261 207 1 . 1 1 42 42 SER HA H 42 4.304 4.304 4.208 0.096 18261 208 1 . 1 1 42 42 SER C C 42 177.483 177.483 176.810 0.673 18261 209 1 . 1 1 42 42 SER CA C 42 62.075 62.075 61.929 0.146 18261 210 1 . 1 1 42 42 SER CB C 42 62.765 62.765 62.976 -0.211 18261 211 1 . 1 1 42 42 SER H H 42 8.375 8.375 8.464 -0.089 18261 212 1 . 1 1 43 43 THR N N 43 118.797 118.797 118.971 -0.174 18261 213 1 . 1 1 43 43 THR HA H 43 4.042 4.042 4.066 -0.024 18261 214 1 . 1 1 43 43 THR C C 43 177.258 177.258 176.806 0.452 18261 215 1 . 1 1 43 43 THR CA C 43 66.584 66.584 66.641 -0.057 18261 216 1 . 1 1 43 43 THR CB C 43 68.490 68.490 68.727 -0.237 18261 217 1 . 1 1 43 43 THR H H 43 7.928 7.928 7.693 0.235 18261 218 1 . 1 1 44 44 ILE N N 44 122.960 122.960 121.300 1.660 18261 219 1 . 1 1 44 44 ILE HA H 44 3.930 3.930 3.833 0.097 18261 220 1 . 1 1 44 44 ILE C C 44 178.564 178.564 177.895 0.669 18261 221 1 . 1 1 44 44 ILE CA C 44 64.483 64.483 62.619 1.864 18261 222 1 . 1 1 44 44 ILE CB C 44 38.015 38.015 36.383 1.632 18261 223 1 . 1 1 44 44 ILE H H 44 7.863 7.863 8.313 -0.450 18261 224 1 . 1 1 45 45 ALA N N 45 124.792 124.792 122.646 2.146 18261 225 1 . 1 1 45 45 ALA HA H 45 4.122 4.122 3.990 0.132 18261 226 1 . 1 1 45 45 ALA C C 45 179.404 179.404 179.782 -0.378 18261 227 1 . 1 1 45 45 ALA CA C 45 56.009 56.009 55.294 0.715 18261 228 1 . 1 1 45 45 ALA CB C 45 18.908 18.908 18.342 0.566 18261 229 1 . 1 1 45 45 ALA H H 45 8.853 8.853 8.407 0.446 18261 230 1 . 1 1 46 46 GLN N N 46 116.307 116.307 117.273 -0.966 18261 231 1 . 1 1 46 46 GLN HA H 46 4.068 4.068 4.083 -0.015 18261 232 1 . 1 1 46 46 GLN C C 46 179.014 179.014 178.588 0.426 18261 233 1 . 1 1 46 46 GLN CA C 46 58.903 58.903 58.113 0.789 18261 234 1 . 1 1 46 46 GLN CB C 46 28.250 28.250 27.865 0.385 18261 235 1 . 1 1 46 46 GLN H H 46 8.238 8.238 8.086 0.152 18261 236 1 . 1 1 47 47 SER N N 47 115.959 115.959 116.030 -0.071 18261 237 1 . 1 1 47 47 SER HA H 47 4.261 4.261 4.170 0.091 18261 238 1 . 1 1 47 47 SER C C 47 177.483 177.483 176.428 1.055 18261 239 1 . 1 1 47 47 SER CA C 47 61.526 61.526 61.513 0.013 18261 240 1 . 1 1 47 47 SER CB C 47 62.842 62.842 62.715 0.127 18261 241 1 . 1 1 47 47 SER H H 47 8.223 8.223 7.658 0.565 18261 242 1 . 1 1 48 48 MET N N 48 121.963 121.963 120.760 1.203 18261 243 1 . 1 1 48 48 MET HA H 48 4.110 4.110 4.111 -0.001 18261 244 1 . 1 1 48 48 MET C C 48 177.798 177.798 177.947 -0.149 18261 245 1 . 1 1 48 48 MET CA C 48 57.531 57.531 58.150 -0.619 18261 246 1 . 1 1 48 48 MET CB C 48 31.169 31.169 32.098 -0.929 18261 247 1 . 1 1 48 48 MET H H 48 8.245 8.245 7.693 0.552 18261 248 1 . 1 1 49 49 VAL N N 49 119.045 119.045 120.273 -1.228 18261 249 1 . 1 1 49 49 VAL HA H 49 3.300 3.300 3.545 -0.245 18261 250 1 . 1 1 49 49 VAL C C 49 177.910 177.910 178.337 -0.427 18261 251 1 . 1 1 49 49 VAL CA C 49 67.811 67.811 66.877 0.934 18261 252 1 . 1 1 49 49 VAL CB C 49 31.370 31.370 30.986 0.384 18261 253 1 . 1 1 49 49 VAL H H 49 7.809 7.809 8.050 -0.241 18261 254 1 . 1 1 50 50 GLN N N 50 118.357 118.357 118.039 0.318 18261 255 1 . 1 1 50 50 GLN HA H 50 4.091 4.091 3.989 0.102 18261 256 1 . 1 1 50 50 GLN C C 50 179.449 179.449 178.644 0.805 18261 257 1 . 1 1 50 50 GLN CA C 50 59.056 59.056 58.599 0.457 18261 258 1 . 1 1 50 50 GLN CB C 50 28.020 28.020 27.875 0.145 18261 259 1 . 1 1 50 50 GLN H H 50 8.225 8.225 8.469 -0.244 18261 260 1 . 1 1 51 51 SER N N 51 117.253 117.253 115.842 1.411 18261 261 1 . 1 1 51 51 SER HA H 51 4.235 4.235 4.218 0.017 18261 262 1 . 1 1 51 51 SER C C 51 176.374 176.374 176.578 -0.204 18261 263 1 . 1 1 51 51 SER CA C 51 62.752 62.752 61.700 1.052 18261 264 1 . 1 1 51 51 SER CB C 51 62.963 62.963 62.751 0.213 18261 265 1 . 1 1 51 51 SER H H 51 8.328 8.328 7.580 0.748 18261 266 1 . 1 1 52 52 ILE N N 52 123.114 123.114 122.557 0.557 18261 267 1 . 1 1 52 52 ILE HA H 52 3.599 3.599 3.631 -0.032 18261 268 1 . 1 1 52 52 ILE C C 52 178.684 178.684 177.588 1.096 18261 269 1 . 1 1 52 52 ILE CA C 52 64.736 64.736 65.084 -0.348 18261 270 1 . 1 1 52 52 ILE CB C 52 37.838 37.838 37.377 0.461 18261 271 1 . 1 1 52 52 ILE H H 52 8.147 8.147 7.830 0.317 18261 272 1 . 1 1 53 53 GLN N N 53 120.011 120.011 119.132 0.879 18261 273 1 . 1 1 53 53 GLN HA H 53 3.946 3.946 3.986 -0.040 18261 274 1 . 1 1 53 53 GLN C C 53 179.014 179.014 178.350 0.664 18261 275 1 . 1 1 53 53 GLN CA C 53 59.501 59.501 58.827 0.674 18261 276 1 . 1 1 53 53 GLN CB C 53 27.901 27.901 28.074 -0.173 18261 277 1 . 1 1 53 53 GLN H H 53 8.583 8.583 8.400 0.183 18261 278 1 . 1 1 54 54 SER N N 54 115.479 115.479 114.966 0.513 18261 279 1 . 1 1 54 54 SER HA H 54 4.302 4.302 4.324 -0.022 18261 280 1 . 1 1 54 54 SER C C 54 176.822 176.822 176.414 0.408 18261 281 1 . 1 1 54 54 SER CA C 54 61.492 61.492 61.037 0.455 18261 282 1 . 1 1 54 54 SER CB C 54 62.880 62.880 63.246 -0.366 18261 283 1 . 1 1 54 54 SER H H 54 8.271 8.271 7.641 0.630 18261 284 1 . 1 1 55 55 LEU N N 55 121.519 121.519 122.899 -1.380 18261 285 1 . 1 1 55 55 LEU HA H 55 4.068 4.068 3.998 0.070 18261 286 1 . 1 1 55 55 LEU C C 55 179.434 179.434 178.086 1.348 18261 287 1 . 1 1 55 55 LEU CA C 55 57.793 57.793 58.117 -0.324 18261 288 1 . 1 1 55 55 LEU CB C 55 42.245 42.245 41.660 0.585 18261 289 1 . 1 1 55 55 LEU H H 55 7.974 7.974 8.104 -0.130 18261 290 1 . 1 1 56 56 ALA N N 56 121.040 121.040 118.323 2.717 18261 291 1 . 1 1 56 56 ALA HA H 56 4.228 4.228 4.359 -0.131 18261 292 1 . 1 1 56 56 ALA C C 56 180.530 180.530 178.050 2.480 18261 293 1 . 1 1 56 56 ALA CA C 56 54.331 54.331 53.511 0.820 18261 294 1 . 1 1 56 56 ALA CB C 56 18.075 18.075 18.624 -0.549 18261 295 1 . 1 1 56 56 ALA H H 56 8.032 8.032 8.123 -0.091 18261 296 1 . 1 1 57 57 ALA N N 57 121.325 121.325 120.703 0.622 18261 297 1 . 1 1 57 57 ALA HA H 57 4.219 4.219 4.308 -0.089 18261 298 1 . 1 1 57 57 ALA C C 57 179.344 179.344 179.133 0.211 18261 299 1 . 1 1 57 57 ALA CA C 57 54.446 54.446 53.703 0.743 18261 300 1 . 1 1 57 57 ALA CB C 57 18.470 18.470 19.473 -1.003 18261 301 1 . 1 1 57 57 ALA H H 57 8.030 8.030 7.526 0.504 18261 302 1 . 1 1 58 58 GLN N N 58 114.257 114.257 116.997 -2.740 18261 303 1 . 1 1 58 58 GLN HA H 58 4.356 4.356 4.318 0.038 18261 304 1 . 1 1 58 58 GLN C C 58 176.612 176.612 176.542 0.070 18261 305 1 . 1 1 58 58 GLN CA C 58 55.957 55.957 55.816 0.141 18261 306 1 . 1 1 58 58 GLN CB C 58 29.767 29.767 29.477 0.290 18261 307 1 . 1 1 58 58 GLN H H 58 7.751 7.751 8.344 -0.593 18261 308 1 . 1 1 59 59 GLY N N 59 108.304 108.304 107.574 0.730 18261 309 1 . 1 1 59 59 GLY C C 59 174.856 174.856 174.598 0.258 18261 310 1 . 1 1 59 59 GLY CA C 59 46.197 46.197 45.568 0.629 18261 311 1 . 1 1 59 59 GLY H H 59 7.910 7.910 7.909 0.001 18261 312 1 . 1 1 60 60 ARG N N 60 118.258 118.258 118.049 0.209 18261 313 1 . 1 1 60 60 ARG HA H 60 4.553 4.553 4.529 0.024 18261 314 1 . 1 1 60 60 ARG C C 60 175.847 175.847 175.985 -0.138 18261 315 1 . 1 1 60 60 ARG CA C 60 55.658 55.658 54.774 0.884 18261 316 1 . 1 1 60 60 ARG CB C 60 31.714 31.714 31.020 0.694 18261 317 1 . 1 1 60 60 ARG H H 60 8.108 8.108 8.104 0.004 18261 318 1 . 1 1 61 61 THR N N 61 115.924 115.924 116.592 -0.667 18261 319 1 . 1 1 61 61 THR HA H 61 4.785 4.785 4.288 0.497 18261 320 1 . 1 1 61 61 THR C C 61 173.654 173.654 174.069 -0.415 18261 321 1 . 1 1 61 61 THR CA C 61 63.140 63.140 63.019 0.121 18261 322 1 . 1 1 61 61 THR CB C 61 68.602 68.602 68.453 0.149 18261 323 1 . 1 1 61 61 THR H H 61 7.970 7.970 7.982 -0.012 18261 324 1 . 1 1 62 62 SER N N 62 119.666 119.666 120.458 -0.792 18261 325 1 . 1 1 62 62 SER HA H 62 4.902 4.902 4.806 0.096 18261 326 1 . 1 1 62 62 SER C C 62 173.207 173.207 173.775 -0.568 18261 327 1 . 1 1 62 62 SER CA C 62 56.193 56.193 55.921 0.272 18261 328 1 . 1 1 62 62 SER CB C 62 63.781 63.781 63.768 0.012 18261 329 1 . 1 1 62 62 SER H H 62 7.788 7.788 7.997 -0.208 18261 330 1 . 1 1 63 63 PRO HA H 63 4.313 4.313 4.253 0.060 18261 331 1 . 1 1 63 63 PRO CA C 63 65.746 65.746 65.588 0.158 18261 332 1 . 1 1 63 63 PRO CB C 63 32.147 32.147 31.915 0.232 18261 333 1 . 1 1 64 64 ASN HA H 64 4.550 4.550 4.509 0.041 18261 334 1 . 1 1 64 64 ASN CA C 64 56.202 56.202 56.079 0.123 18261 335 1 . 1 1 64 64 ASN CB C 64 38.000 38.000 38.063 -0.063 18261 336 1 . 1 1 65 65 LYS N N 65 120.530 120.530 120.663 -0.133 18261 337 1 . 1 1 65 65 LYS HA H 65 4.197 4.197 4.105 0.092 18261 338 1 . 1 1 65 65 LYS C C 65 178.999 178.999 178.802 0.197 18261 339 1 . 1 1 65 65 LYS CA C 65 58.250 58.250 59.026 -0.776 18261 340 1 . 1 1 65 65 LYS CB C 65 32.498 32.498 32.313 0.185 18261 341 1 . 1 1 65 65 LYS H H 65 7.770 7.770 7.770 -0.000 18261 342 1 . 1 1 66 66 LEU N N 66 118.804 118.804 119.625 -0.821 18261 343 1 . 1 1 66 66 LEU HA H 66 4.070 4.070 4.160 -0.090 18261 344 1 . 1 1 66 66 LEU C C 66 178.928 178.928 179.062 -0.134 18261 345 1 . 1 1 66 66 LEU CA C 66 57.928 57.928 57.498 0.430 18261 346 1 . 1 1 66 66 LEU CB C 66 41.329 41.329 41.176 0.153 18261 347 1 . 1 1 66 66 LEU H H 66 7.932 7.932 7.879 0.053 18261 348 1 . 1 1 67 67 GLN N N 67 119.307 119.307 119.135 0.172 18261 349 1 . 1 1 67 67 GLN HA H 67 4.224 4.224 4.076 0.148 18261 350 1 . 1 1 67 67 GLN C C 67 178.789 178.789 178.212 0.577 18261 351 1 . 1 1 67 67 GLN CA C 67 58.862 58.862 59.020 -0.158 18261 352 1 . 1 1 67 67 GLN CB C 67 28.052 28.052 28.503 -0.451 18261 353 1 . 1 1 67 67 GLN H H 67 8.160 8.160 8.319 -0.159 18261 354 1 . 1 1 68 68 ALA N N 68 122.124 122.124 122.024 0.100 18261 355 1 . 1 1 68 68 ALA HA H 68 4.190 4.190 4.160 0.030 18261 356 1 . 1 1 68 68 ALA C C 68 180.320 180.320 179.491 0.829 18261 357 1 . 1 1 68 68 ALA CA C 68 55.282 55.282 54.790 0.492 18261 358 1 . 1 1 68 68 ALA CB C 68 18.251 18.251 18.498 -0.247 18261 359 1 . 1 1 68 68 ALA H H 68 7.844 7.844 7.725 0.119 18261 360 1 . 1 1 69 69 LEU N N 69 119.481 119.481 118.290 1.191 18261 361 1 . 1 1 69 69 LEU HA H 69 3.912 3.912 3.854 0.058 18261 362 1 . 1 1 69 69 LEU C C 69 178.864 178.864 178.615 0.249 18261 363 1 . 1 1 69 69 LEU CA C 69 57.904 57.904 57.253 0.651 18261 364 1 . 1 1 69 69 LEU CB C 69 41.052 41.052 40.713 0.339 18261 365 1 . 1 1 69 69 LEU H H 69 7.819 7.819 8.156 -0.337 18261 366 1 . 1 1 70 70 ASN N N 70 119.633 119.633 118.575 1.058 18261 367 1 . 1 1 70 70 ASN HA H 70 4.553 4.553 4.686 -0.133 18261 368 1 . 1 1 70 70 ASN C C 70 177.483 177.483 177.478 0.005 18261 369 1 . 1 1 70 70 ASN CA C 70 57.125 57.125 56.620 0.505 18261 370 1 . 1 1 70 70 ASN CB C 70 38.392 38.392 38.690 -0.298 18261 371 1 . 1 1 70 70 ASN H H 70 8.265 8.265 8.001 0.264 18261 372 1 . 1 1 71 71 MET N N 71 118.024 118.024 119.567 -1.543 18261 373 1 . 1 1 71 71 MET HA H 71 4.201 4.201 4.253 -0.052 18261 374 1 . 1 1 71 71 MET C C 71 178.279 178.279 178.621 -0.342 18261 375 1 . 1 1 71 71 MET CA C 71 59.445 59.445 59.524 -0.079 18261 376 1 . 1 1 71 71 MET CB C 71 32.313 32.313 32.632 -0.319 18261 377 1 . 1 1 71 71 MET H H 71 8.098 8.098 7.684 0.414 18261 378 1 . 1 1 72 72 ARG N N 72 121.985 121.985 119.673 2.312 18261 379 1 . 1 1 72 72 ARG HA H 72 3.981 3.981 4.063 -0.082 18261 380 1 . 1 1 72 72 ARG C C 72 179.059 179.059 178.904 0.155 18261 381 1 . 1 1 72 72 ARG CA C 72 59.058 59.058 58.863 0.195 18261 382 1 . 1 1 72 72 ARG CB C 72 30.120 30.120 29.725 0.395 18261 383 1 . 1 1 72 72 ARG H H 72 8.292 8.292 8.089 0.203 18261 384 1 . 1 1 73 73 PHE N N 73 122.085 122.085 120.978 1.107 18261 385 1 . 1 1 73 73 PHE HA H 73 4.529 4.529 4.160 0.369 18261 386 1 . 1 1 73 73 PHE C C 73 177.258 177.258 176.856 0.402 18261 387 1 . 1 1 73 73 PHE CA C 73 59.248 59.248 60.686 -1.438 18261 388 1 . 1 1 73 73 PHE CB C 73 39.527 39.527 38.714 0.813 18261 389 1 . 1 1 73 73 PHE H H 73 8.703 8.703 8.502 0.201 18261 390 1 . 1 1 74 74 ALA N N 74 119.273 119.273 120.900 -1.627 18261 391 1 . 1 1 74 74 ALA HA H 74 3.764 3.764 3.745 0.019 18261 392 1 . 1 1 74 74 ALA C C 74 179.374 179.374 179.398 -0.024 18261 393 1 . 1 1 74 74 ALA CA C 74 55.324 55.324 55.084 0.240 18261 394 1 . 1 1 74 74 ALA CB C 74 20.509 20.509 18.506 2.003 18261 395 1 . 1 1 74 74 ALA H H 74 8.598 8.598 7.961 0.637 18261 396 1 . 1 1 75 75 SER N N 75 113.611 113.611 113.632 -0.021 18261 397 1 . 1 1 75 75 SER HA H 75 3.636 3.636 4.179 -0.543 18261 398 1 . 1 1 75 75 SER CA C 75 61.936 61.936 61.345 0.591 18261 399 1 . 1 1 75 75 SER CB C 75 61.869 61.869 62.542 -0.674 18261 400 1 . 1 1 75 75 SER H H 75 8.780 8.780 8.210 0.570 18261 401 1 . 1 1 76 76 SER N N 76 119.013 119.013 119.533 -0.520 18261 402 1 . 1 1 76 76 SER HA H 76 4.310 4.310 4.335 -0.025 18261 403 1 . 1 1 76 76 SER CA C 76 62.536 62.536 61.630 0.906 18261 404 1 . 1 1 76 76 SER CB C 76 62.943 62.943 62.978 -0.035 18261 405 1 . 1 1 76 76 SER H H 76 8.210 8.210 8.118 0.092 18261 406 1 . 1 1 77 77 MET N N 77 120.105 120.105 120.929 -0.824 18261 407 1 . 1 1 77 77 MET HA H 77 4.027 4.027 4.137 -0.110 18261 408 1 . 1 1 77 77 MET C C 77 178.354 178.354 177.947 0.407 18261 409 1 . 1 1 77 77 MET CA C 77 59.954 59.954 58.827 1.127 18261 410 1 . 1 1 77 77 MET CB C 77 34.616 34.616 32.261 2.355 18261 411 1 . 1 1 77 77 MET H H 77 8.005 8.005 7.510 0.495 18261 412 1 . 1 1 78 78 ALA N N 78 121.530 121.530 123.014 -1.484 18261 413 1 . 1 1 78 78 ALA HA H 78 3.933 3.933 4.044 -0.111 18261 414 1 . 1 1 78 78 ALA C C 78 178.354 178.354 179.672 -1.318 18261 415 1 . 1 1 78 78 ALA CA C 78 55.427 55.427 55.463 -0.036 18261 416 1 . 1 1 78 78 ALA CB C 78 20.344 20.344 17.875 2.469 18261 417 1 . 1 1 78 78 ALA H H 78 8.550 8.550 8.018 0.532 18261 418 1 . 1 1 79 79 GLU N N 79 117.137 117.137 117.999 -0.862 18261 419 1 . 1 1 79 79 GLU HA H 79 3.919 3.919 4.041 -0.122 18261 420 1 . 1 1 79 79 GLU C C 79 178.894 178.894 178.748 0.146 18261 421 1 . 1 1 79 79 GLU CA C 79 59.445 59.445 59.206 0.239 18261 422 1 . 1 1 79 79 GLU CB C 79 29.895 29.895 29.586 0.309 18261 423 1 . 1 1 79 79 GLU H H 79 7.737 7.737 7.936 -0.199 18261 424 1 . 1 1 80 80 ILE N N 80 118.063 118.063 118.976 -0.913 18261 425 1 . 1 1 80 80 ILE HA H 80 3.932 3.932 3.892 0.040 18261 426 1 . 1 1 80 80 ILE C C 80 179.014 179.014 178.097 0.917 18261 427 1 . 1 1 80 80 ILE CA C 80 63.727 63.727 64.328 -0.601 18261 428 1 . 1 1 80 80 ILE CB C 80 38.208 38.208 38.174 0.034 18261 429 1 . 1 1 80 80 ILE H H 80 7.239 7.239 7.306 -0.067 18261 430 1 . 1 1 81 81 ALA N N 81 121.494 121.494 122.102 -0.608 18261 431 1 . 1 1 81 81 ALA HA H 81 3.961 3.961 4.278 -0.317 18261 432 1 . 1 1 81 81 ALA C C 81 177.258 177.258 178.825 -1.567 18261 433 1 . 1 1 81 81 ALA CA C 81 54.668 54.668 54.501 0.168 18261 434 1 . 1 1 81 81 ALA CB C 81 17.887 17.887 18.635 -0.748 18261 435 1 . 1 1 81 81 ALA H H 81 8.495 8.495 8.495 -0.000 18261 436 1 . 1 1 82 82 ALA N N 82 116.416 116.416 119.059 -2.643 18261 437 1 . 1 1 82 82 ALA HA H 82 4.316 4.316 4.173 0.143 18261 438 1 . 1 1 82 82 ALA C C 82 177.693 177.693 177.957 -0.264 18261 439 1 . 1 1 82 82 ALA CA C 82 52.630 52.630 53.237 -0.607 18261 440 1 . 1 1 82 82 ALA CB C 82 19.224 19.224 18.848 0.376 18261 441 1 . 1 1 82 82 ALA H H 82 8.034 8.034 8.006 0.028 18261 442 1 . 1 1 83 83 SER N N 83 112.672 112.672 114.680 -2.008 18261 443 1 . 1 1 83 83 SER HA H 83 4.299 4.299 4.427 -0.128 18261 444 1 . 1 1 83 83 SER C C 83 174.856 174.856 174.374 0.482 18261 445 1 . 1 1 83 83 SER CA C 83 59.329 59.329 57.668 1.661 18261 446 1 . 1 1 83 83 SER CB C 83 63.943 63.943 62.459 1.484 18261 447 1 . 1 1 83 83 SER H H 83 7.437 7.437 7.670 -0.233 18261 448 1 . 1 1 84 84 GLU N N 84 122.890 122.890 124.275 -1.385 18261 449 1 . 1 1 84 84 GLU HA H 84 4.420 4.420 4.196 0.224 18261 450 1 . 1 1 84 84 GLU C C 84 176.597 176.597 176.463 0.134 18261 451 1 . 1 1 84 84 GLU CA C 84 56.586 56.586 57.093 -0.507 18261 452 1 . 1 1 84 84 GLU CB C 84 30.648 30.648 29.377 1.271 18261 453 1 . 1 1 84 84 GLU H H 84 8.245 8.245 8.046 0.199 18261 454 1 . 1 1 85 85 GLU N N 85 122.062 122.062 121.971 0.091 18261 455 1 . 1 1 85 85 GLU HA H 85 4.285 4.285 4.226 0.059 18261 456 1 . 1 1 85 85 GLU C C 85 177.258 177.258 177.142 0.115 18261 457 1 . 1 1 85 85 GLU CA C 85 57.128 57.128 57.162 -0.034 18261 458 1 . 1 1 85 85 GLU CB C 85 30.121 30.121 29.803 0.318 18261 459 1 . 1 1 85 85 GLU H H 85 8.477 8.477 8.243 0.234 18261 460 1 . 1 1 86 86 GLY N N 86 110.431 110.431 109.474 0.957 18261 461 1 . 1 1 86 86 GLY C C 86 174.856 174.856 173.887 0.969 18261 462 1 . 1 1 86 86 GLY CA C 86 45.654 45.654 44.868 0.786 18261 463 1 . 1 1 86 86 GLY H H 86 8.563 8.563 8.257 0.306 18261 464 1 . 1 1 87 87 GLY N N 87 108.508 108.508 109.584 -1.076 18261 465 1 . 1 1 87 87 GLY C C 87 174.436 174.436 173.835 0.601 18261 466 1 . 1 1 87 87 GLY CA C 87 45.396 45.396 44.743 0.653 18261 467 1 . 1 1 87 87 GLY H H 87 8.274 8.274 7.763 0.511 18261 468 1 . 1 1 88 88 GLY N N 88 107.821 107.821 108.918 -1.097 18261 469 1 . 1 1 88 88 GLY C C 88 173.325 173.325 173.558 -0.233 18261 470 1 . 1 1 88 88 GLY CA C 88 44.814 44.814 44.702 0.112 18261 471 1 . 1 1 88 88 GLY H H 88 8.105 8.105 8.150 -0.045 18261 472 1 . 1 1 89 89 SER N N 89 115.747 115.747 116.342 -0.595 18261 473 1 . 1 1 89 89 SER HA H 89 4.582 4.582 4.414 0.168 18261 474 1 . 1 1 89 89 SER C C 89 175.066 175.066 174.892 0.174 18261 475 1 . 1 1 89 89 SER CA C 89 57.256 57.256 57.776 -0.520 18261 476 1 . 1 1 89 89 SER CB C 89 65.130 65.130 64.098 1.032 18261 477 1 . 1 1 89 89 SER H H 89 8.476 8.476 8.199 0.277 18261 478 1 . 1 1 90 90 LEU N N 90 124.735 124.735 125.706 -0.971 18261 479 1 . 1 1 90 90 LEU HA H 90 4.106 4.106 4.131 -0.025 18261 480 1 . 1 1 90 90 LEU C C 90 179.434 179.434 177.943 1.491 18261 481 1 . 1 1 90 90 LEU CA C 90 58.434 58.434 57.457 0.977 18261 482 1 . 1 1 90 90 LEU CB C 90 41.377 41.377 42.049 -0.672 18261 483 1 . 1 1 90 90 LEU H H 90 8.860 8.860 8.731 0.129 18261 484 1 . 1 1 91 91 SER N N 91 113.851 113.851 113.786 0.065 18261 485 1 . 1 1 91 91 SER C C 91 177.325 177.325 176.187 1.138 18261 486 1 . 1 1 91 91 SER CA C 91 61.261 61.261 61.586 -0.325 18261 487 1 . 1 1 91 91 SER CB C 91 62.010 62.010 62.686 -0.677 18261 488 1 . 1 1 91 91 SER H H 91 8.537 8.537 8.292 0.245 18261 489 1 . 1 1 92 92 THR N N 92 120.889 120.889 117.891 2.998 18261 490 1 . 1 1 92 92 THR HA H 92 3.993 3.993 4.128 -0.135 18261 491 1 . 1 1 92 92 THR C C 92 176.162 176.162 176.401 -0.239 18261 492 1 . 1 1 92 92 THR CA C 92 66.467 66.467 65.893 0.574 18261 493 1 . 1 1 92 92 THR CB C 92 68.285 68.285 68.672 -0.387 18261 494 1 . 1 1 92 92 THR H H 92 7.795 7.795 7.646 0.149 18261 495 1 . 1 1 93 93 LYS N N 93 120.210 120.210 122.087 -1.877 18261 496 1 . 1 1 93 93 LYS HA H 93 3.798 3.798 3.844 -0.046 18261 497 1 . 1 1 93 93 LYS CA C 93 61.044 61.044 59.765 1.279 18261 498 1 . 1 1 93 93 LYS CB C 93 33.470 33.470 32.004 1.466 18261 499 1 . 1 1 93 93 LYS H H 93 8.098 8.098 7.615 0.483 18261 500 1 . 1 1 94 94 THR N N 94 111.485 111.485 113.206 -1.721 18261 501 1 . 1 1 94 94 THR HA H 94 3.936 3.936 4.138 -0.202 18261 502 1 . 1 1 94 94 THR C C 94 177.033 177.033 176.822 0.211 18261 503 1 . 1 1 94 94 THR CA C 94 66.974 66.974 66.003 0.971 18261 504 1 . 1 1 94 94 THR CB C 94 68.013 68.013 68.397 -0.384 18261 505 1 . 1 1 94 94 THR H H 94 8.891 8.891 8.263 0.628 18261 506 1 . 1 1 95 95 SER N N 95 118.938 118.938 117.738 1.200 18261 507 1 . 1 1 95 95 SER HA H 95 4.394 4.394 4.317 0.077 18261 508 1 . 1 1 95 95 SER C C 95 177.828 177.828 176.553 1.275 18261 509 1 . 1 1 95 95 SER CA C 95 61.990 61.990 61.621 0.369 18261 510 1 . 1 1 95 95 SER CB C 95 62.580 62.580 62.940 -0.360 18261 511 1 . 1 1 95 95 SER H H 95 8.118 8.118 7.795 0.323 18261 512 1 . 1 1 96 96 SER N N 96 121.520 121.520 119.127 2.393 18261 513 1 . 1 1 96 96 SER HA H 96 4.457 4.457 4.252 0.206 18261 514 1 . 1 1 96 96 SER CA C 96 62.695 62.695 61.983 0.712 18261 515 1 . 1 1 96 96 SER CB C 96 62.796 62.796 63.112 -0.316 18261 516 1 . 1 1 96 96 SER H H 96 8.603 8.603 7.810 0.793 18261 517 1 . 1 1 97 97 ILE N N 97 122.420 122.420 122.415 0.005 18261 518 1 . 1 1 97 97 ILE HA H 97 3.792 3.792 3.772 0.020 18261 519 1 . 1 1 97 97 ILE C C 97 177.693 177.693 177.875 -0.182 18261 520 1 . 1 1 97 97 ILE CA C 97 66.722 66.722 65.692 1.030 18261 521 1 . 1 1 97 97 ILE CB C 97 38.645 38.645 37.828 0.817 18261 522 1 . 1 1 97 97 ILE H H 97 8.516 8.516 8.041 0.475 18261 523 1 . 1 1 98 98 ALA N N 98 122.031 122.031 121.730 0.301 18261 524 1 . 1 1 98 98 ALA HA H 98 4.063 4.063 4.160 -0.097 18261 525 1 . 1 1 98 98 ALA C C 98 180.740 180.740 179.739 1.001 18261 526 1 . 1 1 98 98 ALA CA C 98 56.158 56.158 55.145 1.013 18261 527 1 . 1 1 98 98 ALA CB C 98 18.347 18.347 18.197 0.150 18261 528 1 . 1 1 98 98 ALA H H 98 8.437 8.437 7.950 0.487 18261 529 1 . 1 1 99 99 SER N N 99 115.676 115.676 114.926 0.750 18261 530 1 . 1 1 99 99 SER HA H 99 4.369 4.369 4.257 0.112 18261 531 1 . 1 1 99 99 SER C C 99 177.168 177.168 176.576 0.592 18261 532 1 . 1 1 99 99 SER CA C 99 61.959 61.959 61.488 0.471 18261 533 1 . 1 1 99 99 SER CB C 99 63.160 63.160 62.967 0.193 18261 534 1 . 1 1 99 99 SER H H 99 8.611 8.611 7.904 0.707 18261 535 1 . 1 1 100 100 ALA N N 100 124.275 124.275 124.503 -0.228 18261 536 1 . 1 1 100 100 ALA HA H 100 4.243 4.243 4.015 0.228 18261 537 1 . 1 1 100 100 ALA C C 100 181.851 181.851 179.484 2.367 18261 538 1 . 1 1 100 100 ALA CA C 100 55.321 55.321 54.888 0.433 18261 539 1 . 1 1 100 100 ALA CB C 100 18.479 18.479 18.220 0.259 18261 540 1 . 1 1 100 100 ALA H H 100 8.973 8.973 7.967 1.006 18261 541 1 . 1 1 101 101 MET N N 101 118.986 118.986 118.833 0.153 18261 542 1 . 1 1 101 101 MET HA H 101 4.063 4.063 4.106 -0.043 18261 543 1 . 1 1 101 101 MET C C 101 177.483 177.483 178.565 -1.082 18261 544 1 . 1 1 101 101 MET CA C 101 60.999 60.999 59.973 1.026 18261 545 1 . 1 1 101 101 MET CB C 101 34.583 34.583 32.981 1.602 18261 546 1 . 1 1 101 101 MET H H 101 9.072 9.072 8.716 0.356 18261 547 1 . 1 1 102 102 SER N N 102 116.650 116.650 115.185 1.465 18261 548 1 . 1 1 102 102 SER HA H 102 4.370 4.370 4.285 0.085 18261 549 1 . 1 1 102 102 SER C C 102 176.357 176.357 176.831 -0.473 18261 550 1 . 1 1 102 102 SER CA C 102 63.278 63.278 62.146 1.132 18261 551 1 . 1 1 102 102 SER CB C 102 62.523 62.523 62.982 -0.459 18261 552 1 . 1 1 102 102 SER H H 102 8.673 8.673 8.512 0.160 18261 553 1 . 1 1 103 103 ASN N N 103 118.060 118.060 120.374 -2.314 18261 554 1 . 1 1 103 103 ASN HA H 103 4.477 4.477 4.522 -0.045 18261 555 1 . 1 1 103 103 ASN C C 103 176.603 176.603 177.314 -0.711 18261 556 1 . 1 1 103 103 ASN CA C 103 56.564 56.564 55.854 0.710 18261 557 1 . 1 1 103 103 ASN CB C 103 38.362 38.362 38.393 -0.031 18261 558 1 . 1 1 103 103 ASN H H 103 8.098 8.098 8.084 0.014 18261 559 1 . 1 1 104 104 ALA N N 104 122.235 122.235 122.282 -0.047 18261 560 1 . 1 1 104 104 ALA HA H 104 4.255 4.255 4.015 0.240 18261 561 1 . 1 1 104 104 ALA C C 104 181.701 181.701 179.847 1.854 18261 562 1 . 1 1 104 104 ALA CA C 104 54.815 54.815 54.797 0.018 18261 563 1 . 1 1 104 104 ALA CB C 104 18.177 18.177 18.052 0.125 18261 564 1 . 1 1 104 104 ALA H H 104 7.919 7.919 8.005 -0.086 18261 565 1 . 1 1 105 105 PHE N N 105 119.159 119.159 119.827 -0.668 18261 566 1 . 1 1 105 105 PHE HA H 105 4.401 4.401 4.608 -0.207 18261 567 1 . 1 1 105 105 PHE C C 105 179.224 179.224 177.960 1.264 18261 568 1 . 1 1 105 105 PHE CA C 105 63.744 63.744 60.809 2.935 18261 569 1 . 1 1 105 105 PHE CB C 105 39.417 39.417 39.347 0.070 18261 570 1 . 1 1 105 105 PHE H H 105 8.615 8.615 8.349 0.266 18261 571 1 . 1 1 106 106 LEU N N 106 121.765 121.765 118.637 3.128 18261 572 1 . 1 1 106 106 LEU HA H 106 3.741 3.741 4.088 -0.347 18261 573 1 . 1 1 106 106 LEU C C 106 179.074 179.074 178.805 0.269 18261 574 1 . 1 1 106 106 LEU CA C 106 59.086 59.086 57.918 1.168 18261 575 1 . 1 1 106 106 LEU CB C 106 41.265 41.265 41.583 -0.318 18261 576 1 . 1 1 106 106 LEU H H 106 8.259 8.259 8.049 0.210 18261 577 1 . 1 1 107 107 GLN N N 107 114.755 114.755 116.708 -1.953 18261 578 1 . 1 1 107 107 GLN HA H 107 4.189 4.189 4.299 -0.110 18261 579 1 . 1 1 107 107 GLN C C 107 176.822 176.822 177.517 -0.695 18261 580 1 . 1 1 107 107 GLN CA C 107 57.461 57.461 57.776 -0.315 18261 581 1 . 1 1 107 107 GLN CB C 107 29.393 29.393 28.574 0.819 18261 582 1 . 1 1 107 107 GLN H H 107 8.176 8.176 7.895 0.281 18261 583 1 . 1 1 108 108 THR N N 108 108.074 108.074 111.921 -3.847 18261 584 1 . 1 1 108 108 THR HA H 108 4.517 4.517 4.371 0.146 18261 585 1 . 1 1 108 108 THR C C 108 175.952 175.952 175.852 0.100 18261 586 1 . 1 1 108 108 THR CA C 108 62.526 62.526 64.270 -1.744 18261 587 1 . 1 1 108 108 THR CB C 108 70.320 70.320 69.488 0.832 18261 588 1 . 1 1 108 108 THR H H 108 7.740 7.740 7.687 0.053 18261 589 1 . 1 1 109 109 THR N N 109 113.029 113.029 112.773 0.256 18261 590 1 . 1 1 109 109 THR HA H 109 4.620 4.620 4.430 0.190 18261 591 1 . 1 1 109 109 THR C C 109 176.162 176.162 175.756 0.406 18261 592 1 . 1 1 109 109 THR CA C 109 62.255 62.255 61.897 0.358 18261 593 1 . 1 1 109 109 THR CB C 109 70.768 70.768 70.170 0.598 18261 594 1 . 1 1 109 109 THR H H 109 8.869 8.869 7.844 1.025 18261 595 1 . 1 1 110 110 GLY N N 110 109.433 109.433 110.277 -0.844 18261 596 1 . 1 1 110 110 GLY C C 110 172.889 172.889 173.759 -0.870 18261 597 1 . 1 1 110 110 GLY CA C 110 45.555 45.555 45.377 0.178 18261 598 1 . 1 1 110 110 GLY H H 110 8.298 8.298 8.045 0.253 18261 599 1 . 1 1 111 111 VAL N N 111 119.167 119.167 119.815 -0.648 18261 600 1 . 1 1 111 111 VAL HA H 111 4.266 4.266 4.366 -0.100 18261 601 1 . 1 1 111 111 VAL C C 111 174.421 174.421 174.898 -0.477 18261 602 1 . 1 1 111 111 VAL CA C 111 60.783 60.783 60.364 0.419 18261 603 1 . 1 1 111 111 VAL CB C 111 35.394 35.394 35.031 0.363 18261 604 1 . 1 1 111 111 VAL H H 111 7.786 7.786 7.587 0.199 18261 605 1 . 1 1 112 112 VAL N N 112 124.920 124.920 122.663 2.257 18261 606 1 . 1 1 112 112 VAL HA H 112 3.251 3.251 4.197 -0.946 18261 607 1 . 1 1 112 112 VAL C C 112 174.646 174.646 174.806 -0.160 18261 608 1 . 1 1 112 112 VAL CA C 112 64.409 64.409 60.882 3.527 18261 609 1 . 1 1 112 112 VAL CB C 112 32.626 32.626 33.360 -0.734 18261 610 1 . 1 1 112 112 VAL H H 112 8.721 8.721 8.256 0.465 18261 611 1 . 1 1 113 113 ASN HA H 113 4.505 4.505 4.652 -0.147 18261 612 1 . 1 1 113 113 ASN CA C 113 50.080 50.080 52.104 -2.024 18261 613 1 . 1 1 113 113 ASN CB C 113 36.910 36.910 38.412 -1.502 18261 614 1 . 1 1 114 114 GLN N N 114 123.939 123.939 127.571 -3.632 18261 615 1 . 1 1 114 114 GLN HA H 114 3.944 3.944 4.322 -0.378 18261 616 1 . 1 1 114 114 GLN C C 114 174.811 174.811 175.064 -0.253 18261 617 1 . 1 1 114 114 GLN CA C 114 59.348 59.348 59.788 -0.440 18261 618 1 . 1 1 114 114 GLN CB C 114 26.505 26.505 27.108 -0.603 18261 619 1 . 1 1 114 114 GLN H H 114 8.368 8.368 8.482 -0.114 18261 620 1 . 1 1 115 115 PRO HA H 115 4.243 4.243 4.123 0.120 18261 621 1 . 1 1 115 115 PRO CA C 115 66.602 66.602 65.850 0.752 18261 622 1 . 1 1 115 115 PRO CB C 115 31.215 31.215 31.204 0.011 18261 623 1 . 1 1 116 116 PHE N N 116 117.612 117.612 115.775 1.837 18261 624 1 . 1 1 116 116 PHE HA H 116 4.209 4.209 4.547 -0.338 18261 625 1 . 1 1 116 116 PHE C C 116 176.597 176.597 177.996 -1.399 18261 626 1 . 1 1 116 116 PHE CA C 116 61.261 61.261 60.953 0.308 18261 627 1 . 1 1 116 116 PHE CB C 116 39.506 39.506 38.928 0.578 18261 628 1 . 1 1 116 116 PHE H H 116 7.249 7.249 8.126 -0.877 18261 629 1 . 1 1 117 117 ILE N N 117 119.233 119.233 120.313 -1.080 18261 630 1 . 1 1 117 117 ILE HA H 117 3.537 3.537 3.786 -0.249 18261 631 1 . 1 1 117 117 ILE C C 117 178.789 178.789 177.855 0.934 18261 632 1 . 1 1 117 117 ILE CA C 117 65.677 65.677 64.989 0.688 18261 633 1 . 1 1 117 117 ILE CB C 117 38.125 38.125 37.650 0.475 18261 634 1 . 1 1 117 117 ILE H H 117 7.652 7.652 7.727 -0.075 18261 635 1 . 1 1 118 118 ASN N N 118 119.875 119.875 119.040 0.835 18261 636 1 . 1 1 118 118 ASN HA H 118 4.304 4.304 4.535 -0.231 18261 637 1 . 1 1 118 118 ASN C C 118 177.033 177.033 177.935 -0.902 18261 638 1 . 1 1 118 118 ASN CA C 118 55.716 55.716 56.124 -0.408 18261 639 1 . 1 1 118 118 ASN CB C 118 37.423 37.423 37.940 -0.517 18261 640 1 . 1 1 118 118 ASN H H 118 8.975 8.975 8.228 0.747 18261 641 1 . 1 1 119 119 GLU N N 119 121.029 121.029 120.766 0.263 18261 642 1 . 1 1 119 119 GLU HA H 119 4.026 4.026 4.080 -0.054 18261 643 1 . 1 1 119 119 GLU C C 119 178.564 178.564 178.927 -0.362 18261 644 1 . 1 1 119 119 GLU CA C 119 59.426 59.426 59.149 0.277 18261 645 1 . 1 1 119 119 GLU CB C 119 29.646 29.646 29.714 -0.069 18261 646 1 . 1 1 119 119 GLU H H 119 8.120 8.120 7.591 0.529 18261 647 1 . 1 1 120 120 ILE N N 120 117.654 117.654 119.807 -2.153 18261 648 1 . 1 1 120 120 ILE HA H 120 3.734 3.734 3.853 -0.119 18261 649 1 . 1 1 120 120 ILE C C 120 178.279 178.279 178.209 0.070 18261 650 1 . 1 1 120 120 ILE CA C 120 62.756 62.756 65.236 -2.480 18261 651 1 . 1 1 120 120 ILE CB C 120 35.645 35.645 37.988 -2.343 18261 652 1 . 1 1 120 120 ILE H H 120 8.077 8.077 8.076 0.001 18261 653 1 . 1 1 121 121 THR N N 121 112.585 112.585 114.406 -1.821 18261 654 1 . 1 1 121 121 THR HA H 121 3.753 3.753 3.960 -0.207 18261 655 1 . 1 1 121 121 THR C C 121 177.258 177.258 176.900 0.358 18261 656 1 . 1 1 121 121 THR CA C 121 67.090 67.090 66.465 0.625 18261 657 1 . 1 1 121 121 THR CB C 121 68.254 68.254 68.276 -0.022 18261 658 1 . 1 1 121 121 THR H H 121 8.640 8.640 8.145 0.495 18261 659 1 . 1 1 122 122 GLN N N 122 123.063 123.063 120.769 2.294 18261 660 1 . 1 1 122 122 GLN HA H 122 4.091 4.091 4.133 -0.042 18261 661 1 . 1 1 122 122 GLN C C 122 179.014 179.014 178.616 0.398 18261 662 1 . 1 1 122 122 GLN CA C 122 59.192 59.192 58.409 0.783 18261 663 1 . 1 1 122 122 GLN CB C 122 28.020 28.020 28.077 -0.057 18261 664 1 . 1 1 122 122 GLN H H 122 8.111 8.111 7.747 0.364 18261 665 1 . 1 1 123 123 LEU N N 123 120.494 120.494 120.466 0.028 18261 666 1 . 1 1 123 123 LEU HA H 123 3.841 3.841 3.976 -0.135 18261 667 1 . 1 1 123 123 LEU C C 123 178.354 178.354 179.065 -0.711 18261 668 1 . 1 1 123 123 LEU CA C 123 58.005 58.005 57.687 0.318 18261 669 1 . 1 1 123 123 LEU CB C 123 42.580 42.580 41.634 0.946 18261 670 1 . 1 1 123 123 LEU H H 123 8.131 8.131 7.813 0.318 18261 671 1 . 1 1 124 124 VAL N N 124 118.543 118.543 121.103 -2.560 18261 672 1 . 1 1 124 124 VAL HA H 124 3.560 3.560 3.728 -0.168 18261 673 1 . 1 1 124 124 VAL C C 124 177.453 177.453 178.540 -1.087 18261 674 1 . 1 1 124 124 VAL CA C 124 67.297 67.297 66.951 0.346 18261 675 1 . 1 1 124 124 VAL CB C 124 31.526 31.526 31.239 0.287 18261 676 1 . 1 1 124 124 VAL H H 124 8.732 8.732 8.744 -0.012 18261 677 1 . 1 1 125 125 SER N N 125 112.449 112.449 114.488 -2.039 18261 678 1 . 1 1 125 125 SER HA H 125 4.044 4.044 4.130 -0.086 18261 679 1 . 1 1 125 125 SER C C 125 175.937 175.937 176.697 -0.760 18261 680 1 . 1 1 125 125 SER CA C 125 62.356 62.356 61.728 0.628 18261 681 1 . 1 1 125 125 SER CB C 125 62.890 62.890 62.986 -0.096 18261 682 1 . 1 1 125 125 SER H H 125 7.863 7.863 7.881 -0.018 18261 683 1 . 1 1 126 126 MET N N 126 120.797 120.797 121.284 -0.487 18261 684 1 . 1 1 126 126 MET HA H 126 4.051 4.051 4.111 -0.060 18261 685 1 . 1 1 126 126 MET C C 126 179.254 179.254 178.140 1.114 18261 686 1 . 1 1 126 126 MET CA C 126 58.939 58.939 58.831 0.107 18261 687 1 . 1 1 126 126 MET CB C 126 32.625 32.625 32.562 0.063 18261 688 1 . 1 1 126 126 MET H H 126 8.033 8.033 7.677 0.356 18261 689 1 . 1 1 127 127 PHE N N 127 118.244 118.244 117.754 0.490 18261 690 1 . 1 1 127 127 PHE HA H 127 4.398 4.398 4.247 0.151 18261 691 1 . 1 1 127 127 PHE C C 127 178.128 178.128 177.394 0.734 18261 692 1 . 1 1 127 127 PHE CA C 127 59.991 59.991 60.461 -0.470 18261 693 1 . 1 1 127 127 PHE CB C 127 38.584 38.584 38.215 0.369 18261 694 1 . 1 1 127 127 PHE H H 127 8.753 8.753 8.454 0.299 18261 695 1 . 1 1 128 128 ALA N N 128 120.518 120.518 121.351 -0.833 18261 696 1 . 1 1 128 128 ALA HA H 128 4.152 4.152 4.197 -0.045 18261 697 1 . 1 1 128 128 ALA C C 128 178.789 178.789 179.994 -1.204 18261 698 1 . 1 1 128 128 ALA CA C 128 54.570 54.570 54.687 -0.117 18261 699 1 . 1 1 128 128 ALA CB C 128 19.373 19.373 18.552 0.821 18261 700 1 . 1 1 128 128 ALA H H 128 8.681 8.681 8.273 0.408 18261 701 1 . 1 1 129 129 GLN N N 129 115.315 115.315 118.056 -2.741 18261 702 1 . 1 1 129 129 GLN HA H 129 4.197 4.197 4.085 0.113 18261 703 1 . 1 1 129 129 GLN C C 129 177.258 177.258 177.713 -0.455 18261 704 1 . 1 1 129 129 GLN CA C 129 57.519 57.519 58.196 -0.677 18261 705 1 . 1 1 129 129 GLN CB C 129 29.271 29.271 28.580 0.691 18261 706 1 . 1 1 129 129 GLN H H 129 7.835 7.835 7.968 -0.133 18261 707 1 . 1 1 130 130 ALA N N 130 121.556 121.556 119.521 2.035 18261 708 1 . 1 1 130 130 ALA HA H 130 4.285 4.285 4.419 -0.134 18261 709 1 . 1 1 130 130 ALA C C 130 178.564 178.564 178.128 0.436 18261 710 1 . 1 1 130 130 ALA CA C 130 53.823 53.823 52.884 0.939 18261 711 1 . 1 1 130 130 ALA CB C 130 19.058 19.058 18.742 0.316 18261 712 1 . 1 1 130 130 ALA H H 130 7.758 7.758 7.609 0.149 18261 713 1 . 1 1 131 131 GLY N N 131 105.780 105.780 105.519 0.261 18261 714 1 . 1 1 131 131 GLY C C 131 173.970 173.970 174.921 -0.951 18261 715 1 . 1 1 131 131 GLY CA C 131 45.702 45.702 45.236 0.466 18261 716 1 . 1 1 131 131 GLY H H 131 8.222 8.222 7.840 0.382 18261 717 1 . 1 1 132 132 MET N N 132 118.358 118.358 119.046 -0.688 18261 718 1 . 1 1 132 132 MET HA H 132 4.540 4.540 4.378 0.162 18261 719 1 . 1 1 132 132 MET C C 132 175.952 175.952 176.489 -0.537 18261 720 1 . 1 1 132 132 MET CA C 132 55.611 55.611 57.492 -1.881 18261 721 1 . 1 1 132 132 MET CB C 132 33.473 33.473 33.800 -0.327 18261 722 1 . 1 1 132 132 MET H H 132 7.763 7.763 7.536 0.227 18261 723 1 . 1 1 133 133 ASN N N 133 119.002 119.002 117.390 1.612 18261 724 1 . 1 1 133 133 ASN HA H 133 4.725 4.725 4.833 -0.108 18261 725 1 . 1 1 133 133 ASN C C 133 174.646 174.646 174.050 0.596 18261 726 1 . 1 1 133 133 ASN CA C 133 53.512 53.512 53.024 0.488 18261 727 1 . 1 1 133 133 ASN CB C 133 39.301 39.301 40.354 -1.053 18261 728 1 . 1 1 133 133 ASN H H 133 8.289 8.289 7.932 0.356 18261 729 1 . 1 1 134 134 ASP N N 134 120.907 120.907 121.894 -0.987 18261 730 1 . 1 1 134 134 ASP HA H 134 4.659 4.659 4.558 0.101 18261 731 1 . 1 1 134 134 ASP C C 134 176.162 176.162 175.475 0.687 18261 732 1 . 1 1 134 134 ASP CA C 134 54.379 54.379 55.210 -0.831 18261 733 1 . 1 1 134 134 ASP CB C 134 41.291 41.291 40.372 0.919 18261 734 1 . 1 1 134 134 ASP H H 134 8.364 8.364 8.638 -0.274 18261 735 1 . 1 1 135 135 VAL N N 135 119.971 119.971 120.549 -0.578 18261 736 1 . 1 1 135 135 VAL HA H 135 4.214 4.214 4.229 -0.015 18261 737 1 . 1 1 135 135 VAL C C 135 176.162 176.162 175.451 0.711 18261 738 1 . 1 1 135 135 VAL CA C 135 62.157 62.157 62.241 -0.084 18261 739 1 . 1 1 135 135 VAL CB C 135 32.644 32.644 32.557 0.087 18261 740 1 . 1 1 135 135 VAL H H 135 8.118 8.118 7.910 0.208 18261 741 1 . 1 1 136 136 SER N N 136 119.918 119.918 117.873 2.045 18261 742 1 . 1 1 136 136 SER HA H 136 4.462 4.462 4.538 -0.076 18261 743 1 . 1 1 136 136 SER C C 136 173.325 173.325 173.895 -0.570 18261 744 1 . 1 1 136 136 SER CA C 136 58.342 58.342 58.402 -0.060 18261 745 1 . 1 1 136 136 SER CB C 136 64.041 64.041 62.617 1.424 18261 746 1 . 1 1 136 136 SER H H 136 8.410 8.410 8.208 0.202 18261 stop_ save_